The 100-protein NMR spectra dataset: A resource for biomolecular NMR data analysis

Piotr Klukowski1, Fred F. Damberger2, Frédéric H.-T. Allain2, Hideo Iwai3, Harindranath Kadavath1, Theresa A. Ramelot4, Gaetano T. Montelione4, Roland Riek1, Peter Güntert1,5,6

1 Institute of Molecular Physical Science, ETH Zurich, 8093 Zurich, Switzerland
2 Institute of Biochemistry, ETH Zurich, 8093 Zurich, Switzerland
3 Institute of Biotechnology, University of Helsinki, 00100 Helsinki, Finland
4 Department of Chemistry and Chemical Biology, and Center for Biotechnology and Interdisciplinary Sciences, Rensselaer Polytechnic Institute, Troy, NY, 12180, USA
5 Institute of Biophysical Chemistry, Goethe University, 60438 Frankfurt am Main, Germany
6 Department of Chemistry, Tokyo Metropolitan University, Hachioji, 192-0397 Tokyo, Japan

NMR data from the ARTINA dataset includes 1329 spectra (2D-4D) across 100 proteins. Each protein's data can be downloaded as a single zip file from the links stored in the table below. Three file format variants are available: Sparky, NMRPipe, and XEASY. To download all 100 protein datasets, you can use one of our download scripts (download_sparky.sh, download_pipe.sh, download_xeasy.sh, download_sparky.bat, download_pipe.bat, download_xeasy.bat). The dataset is available under the Creative Commons Attribution 4.0 International (CC BY) license.

16SVC (6 spectra, 35 residues)
Sparky, NMRPipe, XEASY		 212LML (15 spectra, 86 residues)
Sparky, NMRPipe, XEASY		 412KPN (14 spectra, 103 residues)
Sparky, NMRPipe, XEASY		 612KL6 (16 spectra, 114 residues)
Sparky, NMRPipe, XEASY		 812KKZ (15 spectra, 140 residues)
Sparky, NMRPipe, XEASY
22JVD (11 spectra, 54 residues)
Sparky, NMRPipe, XEASY		 222K3D (12 spectra, 87 residues)
Sparky, NMRPipe, XEASY		 422K0M (14 spectra, 104 residues)
Sparky, NMRPipe, XEASY		 626GT7 (11 spectra, 115 residues)
Sparky, NMRPipe, XEASY		 821VDY (17 spectra, 140 residues)
Sparky, NMRPipe, XEASY
32K57 (14 spectra, 55 residues)
Sparky, NMRPipe, XEASY		 232LK2 (17 spectra, 89 residues)
Sparky, NMRPipe, XEASY		 432K5V (15 spectra, 104 residues)
Sparky, NMRPipe, XEASY		 632JN8 (18 spectra, 115 residues)
Sparky, NMRPipe, XEASY		 832KKL (18 spectra, 140 residues)
Sparky, NMRPipe, XEASY
46SOW (10 spectra, 58 residues)
Sparky, NMRPipe, XEASY		 24MH04 (12 spectra, 90 residues)
Sparky, NMRPipe, XEASY		 442MQL (9 spectra, 105 residues)
Sparky, NMRPipe, XEASY		 642K5D (14 spectra, 116 residues)
Sparky, NMRPipe, XEASY		 842N4B (15 spectra, 142 residues)
Sparky, NMRPipe, XEASY
52LX7 (18 spectra, 60 residues)
Sparky, NMRPipe, XEASY		 251PQX (12 spectra, 91 residues)
Sparky, NMRPipe, XEASY		 452K75 (15 spectra, 106 residues)
Sparky, NMRPipe, XEASY		 652KD1 (13 spectra, 118 residues)
Sparky, NMRPipe, XEASY		 852L8V (15 spectra, 143 residues)
Sparky, NMRPipe, XEASY
62MA6 (16 spectra, 61 residues)
Sparky, NMRPipe, XEASY		 262L33 (10 spectra, 91 residues)
Sparky, NMRPipe, XEASY		 462LTM (11 spectra, 107 residues)
Sparky, NMRPipe, XEASY		 662LTL (10 spectra, 119 residues)
Sparky, NMRPipe, XEASY		 862LGH (17 spectra, 144 residues)
Sparky, NMRPipe, XEASY
72JRM (12 spectra, 65 residues)
Sparky, NMRPipe, XEASY		 272KZV (17 spectra, 92 residues)
Sparky, NMRPipe, XEASY		 472KOB (16 spectra, 108 residues)
Sparky, NMRPipe, XEASY		 672KVO (18 spectra, 120 residues)
Sparky, NMRPipe, XEASY		 872K1S (16 spectra, 149 residues)
Sparky, NMRPipe, XEASY
81YEZ (16 spectra, 68 residues)
Sparky, NMRPipe, XEASY		 282KCT (15 spectra, 94 residues)
Sparky, NMRPipe, XEASY		 482KHD (17 spectra, 108 residues)
Sparky, NMRPipe, XEASY		 681T0Y (14 spectra, 120 residues)
Sparky, NMRPipe, XEASY		 882M4F (16 spectra, 151 residues)
Sparky, NMRPipe, XEASY
92L9R (9 spectra, 69 residues)
Sparky, NMRPipe, XEASY		 292MDR (10 spectra, 94 residues)
Sparky, NMRPipe, XEASY		 492RN7 (12 spectra, 108 residues)
Sparky, NMRPipe, XEASY		 692KCD (19 spectra, 120 residues)
Sparky, NMRPipe, XEASY		 892JXP (17 spectra, 155 residues)
Sparky, NMRPipe, XEASY
102K52 (14 spectra, 74 residues)
Sparky, NMRPipe, XEASY		 302FB7 (11 spectra, 95 residues)
Sparky, NMRPipe, XEASY		 502LXU (14 spectra, 108 residues)
Sparky, NMRPipe, XEASY		 702KRT (15 spectra, 121 residues)
Sparky, NMRPipe, XEASY		 902L06 (15 spectra, 155 residues)
Sparky, NMRPipe, XEASY
112KRS (16 spectra, 74 residues)
Sparky, NMRPipe, XEASY		 312MB0 (8 spectra, 95 residues)
Sparky, NMRPipe, XEASY		 512KIF (5 spectra, 108 residues)
Sparky, NMRPipe, XEASY		 712LFI (13 spectra, 122 residues)
Sparky, NMRPipe, XEASY		 912LAH (10 spectra, 160 residues)
Sparky, NMRPipe, XEASY
122K53 (11 spectra, 76 residues)
Sparky, NMRPipe, XEASY		 322L05 (13 spectra, 95 residues)
Sparky, NMRPipe, XEASY		 522KBN (15 spectra, 109 residues)
Sparky, NMRPipe, XEASY		 722JQN (11 spectra, 122 residues)
Sparky, NMRPipe, XEASY		 922LAK (17 spectra, 160 residues)
Sparky, NMRPipe, XEASY
132JT1 (10 spectra, 77 residues)
Sparky, NMRPipe, XEASY		 332KJR (12 spectra, 95 residues)
Sparky, NMRPipe, XEASY		 532MK2 (14 spectra, 109 residues)
Sparky, NMRPipe, XEASY		 732L7Q (13 spectra, 124 residues)
Sparky, NMRPipe, XEASY		 932L82 (9 spectra, 162 residues)
Sparky, NMRPipe, XEASY
142JVO (10 spectra, 77 residues)
Sparky, NMRPipe, XEASY		 342M5O (9 spectra, 97 residues)
Sparky, NMRPipe, XEASY		 542K50 (14 spectra, 110 residues)
Sparky, NMRPipe, XEASY		 742KFP (17 spectra, 125 residues)
Sparky, NMRPipe, XEASY		 942M47 (17 spectra, 163 residues)
Sparky, NMRPipe, XEASY
152ERR (7 spectra, 81 residues)
Sparky, NMRPipe, XEASY		 35MDM2 (7 spectra, 97 residues)
Sparky, NMRPipe, XEASY		 552KL5 (8 spectra, 110 residues)
Sparky, NMRPipe, XEASY		 751SE9 (12 spectra, 126 residues)
Sparky, NMRPipe, XEASY		 952K3A (17 spectra, 163 residues)
Sparky, NMRPipe, XEASY
162L1P (9 spectra, 83 residues)
Sparky, NMRPipe, XEASY		 362LNA (17 spectra, 99 residues)
Sparky, NMRPipe, XEASY		 562LTA (10 spectra, 110 residues)
Sparky, NMRPipe, XEASY		 762L3G (11 spectra, 126 residues)
Sparky, NMRPipe, XEASY		 962M7U (11 spectra, 165 residues)
Sparky, NMRPipe, XEASY
172LN3 (11 spectra, 83 residues)
Sparky, NMRPipe, XEASY		 372LA6 (10 spectra, 99 residues)
Sparky, NMRPipe, XEASY		 572KIW (18 spectra, 111 residues)
Sparky, NMRPipe, XEASY		 772L3B (15 spectra, 130 residues)
Sparky, NMRPipe, XEASY		 972B3W (20 spectra, 168 residues)
Sparky, NMRPipe, XEASY
182HEQ (13 spectra, 84 residues)
Sparky, NMRPipe, XEASY		 386FIP (13 spectra, 99 residues)
Sparky, NMRPipe, XEASY		 582LVB (8 spectra, 112 residues)
Sparky, NMRPipe, XEASY		 782LRH (11 spectra, 134 residues)
Sparky, NMRPipe, XEASY		 98KRAS4B (14 spectra, 169 residues)
Sparky, NMRPipe, XEASY
192KK8 (12 spectra, 84 residues)
Sparky, NMRPipe, XEASY		 392LEA (10 spectra, 100 residues)
Sparky, NMRPipe, XEASY		 592LND (11 spectra, 112 residues)
Sparky, NMRPipe, XEASY		 791VEE (16 spectra, 134 residues)
Sparky, NMRPipe, XEASY		 992G0Q (12 spectra, 173 residues)
Sparky, NMRPipe, XEASY
202KD0 (13 spectra, 85 residues)
Sparky, NMRPipe, XEASY		 402LL8 (15 spectra, 101 residues)
Sparky, NMRPipe, XEASY		 601WQU (16 spectra, 114 residues)
Sparky, NMRPipe, XEASY		 802K1G (17 spectra, 136 residues)
Sparky, NMRPipe, XEASY		 1002LF2 (18 spectra, 175 residues)
Sparky, NMRPipe, XEASY

6SVC (35 residues, PDB, BMRB, 2019)

Reference:
Strotz, D., Orts, J., Kadavath, H., Friedmann, M., Ghosh, D., Olsson, S., Chi, C.N., Pokharna, A., Guntert, P., Vogeli, B., Riek, R. (2020). Protein Allostery at Atomic Resolution. Angew Chem Int Ed Engl 59: 22132-22139

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13NOESY
ucsf, pipe, .3D.16, .3D.param		 128×632×474C: 33.377 – 62.961
HC: -1.006 – 7.795
H: -0.996 – 11.000		 700 151.07 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 1713
sparky, xeasy		 1411
sparky, xeasy		 82.37
2 CBCANH
ucsf, pipe, .3D.16, .3D.param		 128×256×1024N: 97.705 – 133.424
C: 25.235 – 71.056
HN: 4.952 – 11.429		 600 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 121
sparky, xeasy		 108
sparky, xeasy		 89.26
3 HNCA
ucsf, pipe, .3D.16, .3D.param		 256×256×1024N: 97.702 – 135.566
C: 38.575 – 70.462
HN: 4.978 – 12.963		 900 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 63
sparky, xeasy		 55
sparky, xeasy		 87.30
4 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 128×362×474N: 97.237 – 136.081
HN: 5.968 – 11.004
H: -0.996 – 11.000		 700 84.60 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 616
sparky, xeasy		 400
sparky, xeasy		 64.94
5 NOESY
ucsf, pipe, .3D.16, .3D.param		 2048×1917H1: -1.985 – 11.906
H2: -1.510 – 11.492		 900 15.21 H1–H2: spectrum, spectrum with peaks 2368
sparky, xeasy		 1914
sparky, xeasy		 80.83
6 TOCSY
ucsf, pipe, .3D.16, .3D.param		 1024×1917H1: -1.981 – 11.902
H2: -1.520 – 11.482		 900 7.90 H1–H2: spectrum, spectrum with peaks 1392
sparky, xeasy		 1149
sparky, xeasy		 82.54

2JVD (54 residues, PDB, BMRB, 2007)

Reference:
Aramini, J.M., Sharma, S., Huang, Y.J., Swapna, G.V., Ho, C.K., Shetty, K., Cunningham, K., Ma, L.C., Zhao, L., Owens, L.A., Jiang, M., Xiao, R., Liu, J., Baran, M.C., Acton, T.B., Rost, B., Montelione, G.T. (2008). Solution NMR structure of the SOS response protein YnzC from Bacillus subtilis. Proteins 72: 526-530

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 1024×1024C: 4.538 – 70.787
H: -1.846 – 4.817		 600 4.00 C–H: spectrum, spectrum with peaks 258
sparky, xeasy		 238
sparky, xeasy		 92.25
2 C13NOESY
ucsf, pipe, .3D.16, .3D.param		 512×652×373C: 19.890 – 89.749
HC: 0.469 – 7.463
H: 0.185 – 9.634		 800 502.18 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 3331
sparky, xeasy		 3181
sparky, xeasy		 95.50
3 CBCANH
ucsf, pipe, .3D.16, .3D.param		 256×512×512N: 102.705 – 127.611
C: 4.359 – 79.285
HN: 4.795 – 10.284		 800 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 210
sparky, xeasy		 180
sparky, xeasy		 85.71
4 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 256×512×512N: 102.705 – 127.611
C: 4.415 – 79.228
HN: 4.795 – 10.284		 800 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 124
sparky, xeasy		 110
sparky, xeasy		 88.71
5 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×512×441C1: 29.844 – 53.747
C2: 4.415 – 79.228
H1: -0.004 – 5.989		 800 221.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks		 956
sparky, xeasy		 918
sparky, xeasy		 96.03
6 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 256×512×512N: 102.705 – 127.611
HN: 4.802 – 10.292
H: 1.049 – 6.040		 800 256.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 144
sparky, xeasy		 123
sparky, xeasy		 85.42
7 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×512×559C: 29.844 – 53.747
HC: 0.295 – 6.283
H: 0.002 – 5.997		 800 280.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 998
sparky, xeasy		 942
sparky, xeasy		 94.39
8 HNCO
ucsf, pipe, .3D.16, .3D.param		 256×512×512N: 102.705 – 127.611
C: 168.771 – 188.728
HN: 4.789 – 10.279		 800 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 63
sparky, xeasy		 56
sparky, xeasy		 88.89
9 HNcaCO
ucsf, pipe, .3D.16, .3D.param		 256×512×512N: 102.705 – 127.611
C: 168.790 – 188.747
HN: 4.795 – 10.285		 800 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 107
sparky, xeasy		 92
sparky, xeasy		 85.98
10 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 1024×1024N: 80.164 – 140.114
H: 4.788 – 11.755		 800 4.00 N–H: spectrum, spectrum with peaks 92
sparky, xeasy		 57
sparky, xeasy		 61.96
11 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 512×316×373N: 104.212 – 134.950
HN: 5.943 – 9.327
H: 0.185 – 9.634		 800 251.09 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 1109
sparky, xeasy		 899
sparky, xeasy		 81.06

2K57 (55 residues, PDB, BMRB, 2008)

Reference:
Rossi, P., Aramini, J.A., Hang, D., Xiao, R., Acton, T.B., Montelione, G.T. Solution NMR Structure of Putative Lipoprotein from Pseudomonas syringae Gene Locus PSPTO2350. Northeast Structural Genomics Target PsR76A. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 1024×1024C: 5.252 – 80.137
H: -2.178 – 11.756		 800 4.00 C–H: spectrum, spectrum with peaks 256
sparky, xeasy		 250
sparky, xeasy		 97.66
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param		 1024×1024C: 112.780 – 142.759
H: -2.179 – 11.755		 800 4.00 C–H: spectrum, spectrum with peaks 18
sparky, xeasy		 18
sparky, xeasy		 100.00
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×544×440C: 20.021 – 89.744
HC: -1.355 – 6.041
H: -1.003 – 10.996		 800 234.81 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 5829
sparky, xeasy		 5585
sparky, xeasy		 95.81
4 CBCANH
ucsf, pipe, .3D.16, .3D.param		 256×512×512N: 104.220 – 134.106
C: 4.398 – 79.324
HN: 4.802 – 11.763		 800 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 204
sparky, xeasy		 198
sparky, xeasy		 97.06
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 256×512×512N: 104.220 – 134.106
C: 4.266 – 79.192
HN: 4.824 – 11.784		 800 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 125
sparky, xeasy		 119
sparky, xeasy		 95.20
6 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×256×551C1: 29.764 – 53.714
C2: 4.469 – 79.135
H1: -0.996 – 6.495		 800 280.50 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks		 933
sparky, xeasy		 917
sparky, xeasy		 98.29
7 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×512×512N: 101.697 – 134.478
C: 15.528 – 81.711
HN: 4.792 – 11.773		 600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 200
sparky, xeasy		 193
sparky, xeasy		 96.50
8 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 256×512×512N: 104.220 – 134.106
HN: 4.794 – 11.754
H: 1.039 – 6.030		 800 256.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 140
sparky, xeasy		 137
sparky, xeasy		 97.86
9 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×512×550C: 25.645 – 49.556
HC: -0.211 – 9.774
H: -0.999 – 6.501		 600 280.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 962
sparky, xeasy		 940
sparky, xeasy		 97.71
10 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×512×550C: 25.588 – 49.499
HC: -0.204 – 9.781
H: -1.000 – 6.500		 600 280.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 1408
sparky, xeasy		 1382
sparky, xeasy		 98.15
11 HNCO
ucsf, pipe, .3D.16, .3D.param		 256×512×512N: 104.220 – 134.106
C: 168.797 – 188.754
HN: 4.802 – 11.762		 800 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 64
sparky, xeasy		 53
sparky, xeasy		 82.81
12 HNcaCO
ucsf, pipe, .3D.16, .3D.param		 256×512×512N: 104.255 – 134.142
C: 168.785 – 188.742
HN: 4.793 – 11.753		 800 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 105
sparky, xeasy		 102
sparky, xeasy		 97.14
13 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 1024×2048N: 80.159 – 140.109
H: -2.183 – 11.757		 800 8.00 N–H: spectrum, spectrum with peaks 85
sparky, xeasy		 64
sparky, xeasy		 75.29
14 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 256×474×440N: 104.311 – 135.019
HN: 5.320 – 11.763
H: -1.003 – 10.996		 800 207.19 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 1794
sparky, xeasy		 1541
sparky, xeasy		 85.90

6SOW (58 residues, PDB, BMRB, 2019)

Reference:
Heikkinen, H.A., Backlund, S.M., Iwai, H. (2021). NMR Structure Determinations of Small Proteins Using only One Fractionally 20% 13 C- and Uniformly 100% 15 N-Labeled Sample. Molecules 26

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC
ucsf, pipe, .3D.16, .3D.param		 962×999C: 3.227 – 81.039
H: -0.064 – 5.308		 850 4.00 C–H: spectrum, spectrum with peaks 297
sparky, xeasy		 284
sparky, xeasy		 95.62
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×526×860C: 11.118 – 68.686
HC: -0.044 – 5.608
H: 0.161 – 9.415		 850 229.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 4070
sparky, xeasy		 3931
sparky, xeasy		 96.58
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 128×455×875C: 111.997 – 141.775
HC: 5.946 – 8.390
H: -0.319 – 9.096		 850 224.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 238
sparky, xeasy		 130
sparky, xeasy		 54.62
4 CBCANH
ucsf, pipe, .3D.16, .3D.param		 128×256×512N: 105.208 – 130.999
C: 5.873 – 85.636
HN: 4.694 – 9.933		 850 64.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 216
sparky, xeasy		 206
sparky, xeasy		 95.37
5 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×128×1024C: 3.148 – 70.589
HC: -2.754 – 7.167
H: -0.325 – 9.665		 850 64.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 1070
sparky, xeasy		 1061
sparky, xeasy		 99.16
6 HNCA
ucsf, pipe, .3D.16, .3D.param		 256×256×1024N: 105.096 – 130.989
C: 40.900 – 70.798
HN: 4.695 – 9.940		 850 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 109
sparky, xeasy		 104
sparky, xeasy		 95.41
7 HNCO
ucsf, pipe, .3D.16, .3D.param		 256×256×1024N: 105.157 – 131.049
C: 168.905 – 182.850
HN: 4.691 – 9.935		 850 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 76
sparky, xeasy		 74
sparky, xeasy		 97.37
8 HNcaCO
ucsf, pipe, .3D.16, .3D.param		 256×256×1024N: 105.086 – 130.978
C: 168.920 – 182.865
HN: 4.687 – 9.932		 850 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 109
sparky, xeasy		 104
sparky, xeasy		 95.41
9 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 1024×1024N: 105.023 – 134.993
H: 4.689 – 10.196		 850 4.00 N–H: spectrum, spectrum with peaks 90
sparky, xeasy		 74
sparky, xeasy		 82.22
10 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 128×1024×1024N: 105.189 – 130.980
HN: 4.691 – 10.198
H: -0.810 – 10.169		 850 512.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 1382
sparky, xeasy		 1224
sparky, xeasy		 88.57

2LX7 (60 residues, PDB, BMRB, 2012)

Reference:
Yang, Y., Ramelot, T.A., Dan, L., Kohan, E., Janjua, H., Xiao, R., Acton, T., Everett, J.K., Montelione, G.T., Kennedy, M.A. Solution NMR structure of SH3 domain of growth arrest-specific protein 7 (GAS7) (fragment 1-60) from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR8574A. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×440C: 3.466 – 88.300
H: -1.191 – 6.496		 850 0.86 C–H: spectrum, spectrum with peaks 252
sparky, xeasy		 251
sparky, xeasy		 99.60
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param		 256×274C: 110.082 – 139.965
H: 5.498 – 9.498		 850 0.33 C–H: spectrum, spectrum with peaks 40
sparky, xeasy		 40
sparky, xeasy		 100.00
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×430×256C: 13.258 – 79.000
HC: -1.507 – 6.006
H: -1.173 – 10.780		 850 110.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 3519
sparky, xeasy		 3354
sparky, xeasy		 95.31
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 128×274×256C: 111.532 – 141.302
HC: 5.498 – 9.498
H: -1.189 – 10.768		 850 36.13 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 353
sparky, xeasy		 345
sparky, xeasy		 97.73
5 CBCANH
ucsf, pipe, .3D.16, .3D.param		 128×128×439N: 105.081 – 131.374
C: 16.808 – 81.300
HN: 4.999 – 10.999		 600 28.69 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 206
sparky, xeasy		 201
sparky, xeasy		 97.57
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 128×128×439N: 105.081 – 131.374
C: 9.808 – 74.300
HN: 5.003 – 11.003		 600 28.69 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 114
sparky, xeasy		 113
sparky, xeasy		 99.12
7 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×256×398C1: 0.352 – 70.086
C2: 0.356 – 70.082
H1: -1.014 – 5.973		 600 102.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks		 851
sparky, xeasy		 850
sparky, xeasy		 99.88
8 CCNOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 64×64×1024×128C1: 13.617 – 33.987
C2: 13.617 – 33.987
H1: -3.685 – 9.638
H2: -0.474 – 6.469		 600 2048.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C1–H2: projection, projection with peaks
C2–H1: projection, projection with peaks
H2–C2: projection, projection with peaks
H2–H1: projection, projection with peaks		 1694
sparky, xeasy		 1685
sparky, xeasy		 99.47
9 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×128×370N: 104.957 – 131.250
C: 11.547 – 81.000
HN: 5.497 – 11.993		 600 24.44 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 176
sparky, xeasy		 175
sparky, xeasy		 99.43
10 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 128×371×128N: 104.957 – 131.250
HN: 5.495 – 11.993
H: 0.561 – 6.514		 600 24.44 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 150
sparky, xeasy		 148
sparky, xeasy		 98.67
11 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×128×542C: 7.630 – 77.354
HC: -0.470 – 6.475
H: -1.999 – 7.502		 600 70.13 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 904
sparky, xeasy		 903
sparky, xeasy		 99.89
12 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×256×541C: 7.380 – 77.114
HC: -0.497 – 6.475
H: -2.008 – 7.498		 600 136.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 1264
sparky, xeasy		 1263
sparky, xeasy		 99.92
13 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×256×371N: 104.957 – 131.250
H: -0.697 – 6.276
HN: 5.490 – 11.988		 600 48.88 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks		 265
sparky, xeasy		 263
sparky, xeasy		 99.25
14 HNCA
ucsf, pipe, .3D.16, .3D.param		 128×128×286N: 104.957 – 131.250
C: 41.234 – 71.000
HN: 5.993 – 11.003		 600 18.06 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 113
sparky, xeasy		 110
sparky, xeasy		 97.35
15 HNCO
ucsf, pipe, .3D.16, .3D.param		 128×128×399N: 104.957 – 131.250
C: 167.115 – 180.927
HN: 4.986 – 11.993		 600 25.50 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 62
sparky, xeasy		 54
sparky, xeasy		 87.10
16 HNcoCA
ucsf, pipe, .3D.16, .3D.param		 128×128×370N: 104.957 – 131.250
C: 41.234 – 71.000
HN: 5.496 – 11.991		 600 24.44 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 56
sparky, xeasy		 55
sparky, xeasy		 98.21
17 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 1024×342N: 103.029 – 133.000
H: 5.008 – 10.997		 600 1.48 N–H: spectrum, spectrum with peaks 93
sparky, xeasy		 65
sparky, xeasy		 69.89
18 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 256×343×512N: 104.954 – 131.350
HN: 5.013 – 11.002
H: -1.197 – 10.780		 850 175.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 1295
sparky, xeasy		 1015
sparky, xeasy		 78.38

2MA6 (61 residues, PDB, BMRB, 2013)

Reference:
Ramelot, T.A., Yang, Y., Janjua, H., Kohan, E., Wang, H., Xiao, R., Acton, T.B., Everett, J.K., Montelione, G.T., Kennedy, M.A. Solution NMR Structure of the RING finger domain from the Kip1 ubiquitination-promoting E3 complex protein 1 (KPC1/RNF123) from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR8700A. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 1024×431C: 7.721 – 77.683
H: -0.486 – 5.814		 850 1.86 C–H: spectrum, spectrum with peaks 263
sparky, xeasy		 258
sparky, xeasy		 98.10
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param		 256×206C: 110.031 – 139.918
H: 6.001 – 9.004		 850 0.25 C–H: spectrum, spectrum with peaks 32
sparky, xeasy		 32
sparky, xeasy		 100.00
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×431×256C: 9.087 – 70.563
HC: -0.491 – 5.810
H: -1.668 – 11.279		 850 55.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 4583
sparky, xeasy		 4466
sparky, xeasy		 97.45
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 64×206×256C: 111.681 – 141.216
HC: 6.001 – 9.004
H: -0.911 – 10.543		 850 14.06 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 484
sparky, xeasy		 474
sparky, xeasy		 97.93
5 CBCANH
ucsf, pipe, .3D.16, .3D.param		 128×128×302N: 109.156 – 129.992
C: 13.831 – 78.324
HN: 5.695 – 10.993		 600 19.13 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 223
sparky, xeasy		 217
sparky, xeasy		 97.31
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 128×128×302N: 102.758 – 136.491
C: 13.984 – 78.476
HN: 5.695 – 10.993		 600 19.13 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 131
sparky, xeasy		 129
sparky, xeasy		 98.47
7 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×256×359C1: 5.159 – 74.893
C2: 5.162 – 74.889
H1: -0.512 – 5.789		 600 93.50 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks		 892
sparky, xeasy		 884
sparky, xeasy		 99.10
8 CCNOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 32×32×1024×128C1: 13.940 – 33.987
C2: 13.940 – 33.987
H1: -3.695 – 9.628
H2: -0.484 – 6.459		 600 512.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C1–H2: projection, projection with peaks
C2–H1: projection, projection with peaks
H2–C2: projection, projection with peaks
H2–H1: projection, projection with peaks		 2213
sparky, xeasy		 2186
sparky, xeasy		 98.78
9 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×128×419N: 109.231 – 130.077
C: 7.196 – 76.679
HN: 5.709 – 11.005		 850 27.63 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 191
sparky, xeasy		 189
sparky, xeasy		 98.95
10 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 128×512×128N: 109.157 – 129.993
HN: 5.692 – 11.003
H: -0.189 – 5.764		 600 32.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 154
sparky, xeasy		 151
sparky, xeasy		 98.05
11 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×256×553C: 9.270 – 79.163
HC: -0.444 – 6.531
H: -0.998 – 5.996		 850 280.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 961
sparky, xeasy		 950
sparky, xeasy		 98.86
12 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×128×512C: 11.077 – 74.577
HC: -0.399 – 6.546
H: -1.000 – 5.999		 600 32.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 1357
sparky, xeasy		 1346
sparky, xeasy		 99.19
13 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×256×419N: 109.151 – 130.067
H: -0.449 – 6.526
HN: 5.705 – 11.001		 850 110.50 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks		 281
sparky, xeasy		 278
sparky, xeasy		 98.93
14 HNCO
ucsf, pipe, .3D.16, .3D.param		 256×128×302N: 102.626 – 136.493
C: 167.119 – 180.931
HN: 5.690 – 10.989		 600 38.25 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 66
sparky, xeasy		 65
sparky, xeasy		 98.48
15 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 2048×419N: 109.052 – 130.043
H: 5.713 – 11.009		 850 3.45 N–H: spectrum, spectrum with peaks 77
sparky, xeasy		 66
sparky, xeasy		 85.71
16 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 128×363×512N: 109.235 – 130.073
HN: 5.712 – 11.016
H: -1.686 – 11.287		 850 93.50 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 1409
sparky, xeasy		 1313
sparky, xeasy		 93.19

2JRM (65 residues, PDB, BMRB, 2007)

Reference:
Tang, Y., Rossi, P., Swapna, G., Wang, H., Jiang, M., Cunningham, K., Owens, L., Ma, L., Xiao, R., Liu, J., Baran, M.C., Acton, T.B., Rost, B., Montelione, G.T. Solution NMR Structure of Ribosome Modulation Factor VP1593 from Vibrio parahaemolyticus. (To be published)

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×2048C: 5.445 – 80.257
H: -2.136 – 11.805		 800 4.00 C–H: spectrum, spectrum with peaks 291
sparky, xeasy		 268
sparky, xeasy		 92.10
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×460×256C: 33.898 – 57.708
HC: -1.062 – 5.189
H: -0.911 – 10.541		 800 61.88 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 4854
sparky, xeasy		 4534
sparky, xeasy		 93.41
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 64×1024×256C: 116.199 – 139.820
HC: -2.166 – 11.768
H: -0.898 – 10.554		 800 64.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 466
sparky, xeasy		 438
sparky, xeasy		 93.99
4 CBCANH
ucsf, pipe, .3D.16, .3D.param		 256×256×1024N: 104.265 – 132.108
C: 4.498 – 79.166
HN: 4.819 – 10.799		 600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 242
sparky, xeasy		 218
sparky, xeasy		 90.08
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 256×256×1024N: 104.265 – 132.108
C: 4.586 – 79.254
HN: 4.821 – 10.801		 600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 152
sparky, xeasy		 141
sparky, xeasy		 92.76
6 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×256×2048C1: 29.839 – 53.745
C2: 4.586 – 79.254
H1: -1.166 – 10.799		 600 512.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks		 988
sparky, xeasy		 937
sparky, xeasy		 94.84
7 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×256×1024N: 104.298 – 132.140
C: 4.586 – 79.254
HN: 4.821 – 10.801		 600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 228
sparky, xeasy		 216
sparky, xeasy		 94.74
8 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 256×1024×256N: 104.265 – 132.108
HN: 4.818 – 10.797
H: 0.337 – 6.314		 600 256.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 177
sparky, xeasy		 160
sparky, xeasy		 90.40
9 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×256×2048C: 29.839 – 53.745
HC: -1.155 – 6.814
H: -1.166 – 10.799		 600 512.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 1585
sparky, xeasy		 1506
sparky, xeasy		 95.02
10 HNCO
ucsf, pipe, .3D.16, .3D.param		 256×256×1024N: 104.298 – 132.140
C: 168.913 – 188.713
HN: 4.819 – 10.799		 600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 79
sparky, xeasy		 58
sparky, xeasy		 73.42
11 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 256×1024N: 105.214 – 127.129
H: 4.857 – 11.824		 800 1.00 N–H: spectrum, spectrum with peaks 133
sparky, xeasy		 79
sparky, xeasy		 59.40
12 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 128×956×256N: 105.300 – 127.129
HN: 4.956 – 11.460
H: -0.876 – 10.576		 800 125.38 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 2124
sparky, xeasy		 1675
sparky, xeasy		 78.86

1YEZ (68 residues, PDB, BMRB, 2004)

Reference:
Rossi, P., Aramini, J.M., Swapna, G.V.T., Huang, Y.P., Xiao, R., Ho, C.K., Ma, L.C., Acton, T.B., Montelione, G.T.. Solution structure of the conserved protein from the gene locus MM1357 of Methanosarcina mazei. Northeast Structural Genomics target MaR30. (To be published).

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 1024×1024C: -3.012 – 76.478
H: -1.405 – 11.087		 600 4.00 C–H: spectrum, spectrum with peaks 306
sparky, xeasy		 299
sparky, xeasy		 97.71
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×533×512C: 0.834 – 80.685
HC: -0.482 – 6.021
H: -1.400 – 11.096		 600 544.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 3866
sparky, xeasy		 3663
sparky, xeasy		 94.75
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 512×130×412C: 114.879 – 144.146
HC: 6.139 – 7.716
H: -0.449 – 9.601		 600 117.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 246
sparky, xeasy		 211
sparky, xeasy		 85.77
4 CBCANH
ucsf, pipe, .3D.16, .3D.param		 512×512×512N: 100.749 – 136.198
C: 4.605 – 79.475
HN: 4.865 – 11.361		 500 512.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 246
sparky, xeasy		 236
sparky, xeasy		 95.93
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 512×512×512N: 100.748 – 136.198
C: 4.625 – 79.496
HN: 4.881 – 11.377		 500 512.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 130
sparky, xeasy		 126
sparky, xeasy		 96.92
6 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×512×512N: 100.749 – 136.198
C: 4.681 – 79.552
HN: 4.892 – 11.388		 500 512.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 212
sparky, xeasy		 207
sparky, xeasy		 97.64
7 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 512×512×512N: 100.706 – 136.155
HN: 4.881 – 11.377
H: -1.837 – 7.143		 500 512.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 164
sparky, xeasy		 159
sparky, xeasy		 96.95
8 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×512×533C: -3.147 – 76.705
HC: -1.416 – 11.066
H: -0.504 – 6.000		 600 544.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 1116
sparky, xeasy		 1087
sparky, xeasy		 97.40
9 HCCHTOCSY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 512×512×1024C: 100.049 – 152.987
HC: -1.372 – 11.108
H: -1.392 – 11.114		 600 1024.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 133
sparky, xeasy		 103
sparky, xeasy		 77.44
10 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×512×512N: 100.758 – 136.207
H: -3.334 – 7.641
HN: 4.883 – 11.379		 500 512.00 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks		 306
sparky, xeasy		 299
sparky, xeasy		 97.71
11 HNCA
ucsf, pipe, .3D.16, .3D.param		 512×512×512N: 100.698 – 136.148
C: 41.064 – 73.065
HN: 4.870 – 11.366		 500 512.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 129
sparky, xeasy		 124
sparky, xeasy		 96.12
12 HNCO
ucsf, pipe, .3D.16, .3D.param		 512×512×512N: 100.717 – 136.166
C: 164.955 – 184.796
HN: 4.870 – 11.366		 500 512.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 68
sparky, xeasy		 61
sparky, xeasy		 89.71
13 HNcaCO
ucsf, pipe, .3D.16, .3D.param		 512×512×512N: 100.704 – 136.154
C: 166.959 – 182.831
HN: 4.880 – 11.376		 500 512.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 129
sparky, xeasy		 122
sparky, xeasy		 94.57
14 HNcoCA
ucsf, pipe, .3D.16, .3D.param		 512×512×512N: 100.749 – 136.198
C: 41.075 – 73.076
HN: 4.884 – 11.380		 500 512.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 64
sparky, xeasy		 62
sparky, xeasy		 96.88
15 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 512×512N: 100.239 – 136.365
H: 4.853 – 11.094		 600 1.00 N–H: spectrum, spectrum with peaks 102
sparky, xeasy		 66
sparky, xeasy		 64.71
16 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 512×512×512N: 101.067 – 135.549
HN: 4.870 – 11.116
H: -1.365 – 11.115		 600 512.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 1327
sparky, xeasy		 1025
sparky, xeasy		 77.24

2L9R (69 residues, PDB, BMRB, 2011)

Reference:
Liu, G., Xiao, R., Lee, H.-W., Hamilton, K., Ciccosanti, C., Wang, H.B., Acton, T.B., Everett, J.K., Huang, Y.J., Montelione, G.T. Solution NMR Structure of Homeobox domain of Homeobox protein Nkx-3.1 from homo sapiens, Northeast Structural Genomics Consortium Target HR6470A. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×464×412C: 20.319 – 89.773
HC: -1.344 – 4.962
H: -0.800 – 10.439		 800 97.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 4339
sparky, xeasy		 3898
sparky, xeasy		 89.84
2 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 64×264×256C: 113.242 – 142.773
HC: 4.649 – 8.231
H: -1.643 – 11.306		 800 20.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 412
sparky, xeasy		 332
sparky, xeasy		 80.58
3 CBCANH
ucsf, pipe, .3D.16, .3D.param		 64×256×512N: 106.506 – 130.131
C: 4.417 – 79.124
HN: 4.813 – 11.773		 800 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 267
sparky, xeasy		 227
sparky, xeasy		 85.02
4 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 64×256×512N: 106.506 – 130.131
C: 4.417 – 79.124
HN: 4.813 – 11.773		 800 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 161
sparky, xeasy		 142
sparky, xeasy		 88.20
5 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 64×128×1024C1: 30.145 – 53.770
C2: 4.856 – 79.270
H1: -2.161 – 11.773		 800 32.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks		 1202
sparky, xeasy		 1141
sparky, xeasy		 94.93
6 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 64×512×256N: 106.506 – 130.131
HN: 4.813 – 11.773
H: -0.417 – 6.556		 800 32.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 190
sparky, xeasy		 161
sparky, xeasy		 84.74
7 HNCO
ucsf, pipe, .3D.16, .3D.param		 64×64×512N: 106.506 – 130.131
C: 167.943 – 189.599
HN: 4.813 – 11.773		 800 8.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 81
sparky, xeasy		 57
sparky, xeasy		 70.37
8 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 512×1024N: 106.155 – 130.108
H: 4.806 – 11.773		 800 2.00 N–H: spectrum, spectrum with peaks 126
sparky, xeasy		 72
sparky, xeasy		 57.14
9 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 128×324×452N: 102.873 – 133.631
HN: 6.011 – 10.411
H: -1.360 – 10.972		 800 79.75 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 1547
sparky, xeasy		 1090
sparky, xeasy		 70.46

2K52 (74 residues, PDB, BMRB, 2008)

Reference:
Rossi, P., Xiao, R., Acton, T.B., Montelione, G.T. Structure of uncharacterized protein MJ1198 from Methanocaldococcus jannaschii. Northeast Structural Genomics Target MjR117B. To be published.

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC
ucsf, pipe, .3D.16, .3D.param		 512×1024C: 6.412 – 81.265
H: -1.869 – 11.470		 600 2.00 C–H: spectrum, spectrum with peaks 394
sparky, xeasy		 379
sparky, xeasy		 96.19
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×1027×403C: 20.375 – 89.828
HC: -0.994 – 5.993
H: -0.982 – 10.010		 800 209.18 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 5532
sparky, xeasy		 5203
sparky, xeasy		 94.05
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 128×221×256C: 113.006 – 142.772
HC: 6.018 – 9.015
H: -0.644 – 10.313		 800 27.63 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 303
sparky, xeasy		 216
sparky, xeasy		 71.29
4 CBCANH
ucsf, pipe, .3D.16, .3D.param		 128×128×512N: 102.351 – 132.117
C: 4.895 – 79.325
HN: 4.813 – 11.789		 600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 268
sparky, xeasy		 265
sparky, xeasy		 98.88
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 128×128×512N: 102.398 – 132.163
C: 4.903 – 79.317
HN: 4.810 – 11.786		 600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 157
sparky, xeasy		 157
sparky, xeasy		 100.00
6 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×256×514C1: 32.099 – 55.912
C2: 6.261 – 80.968
H1: -1.000 – 6.003		 600 68.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks		 1400
sparky, xeasy		 1329
sparky, xeasy		 94.93
7 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 64×512×256N: 103.585 – 133.117
HN: 4.811 – 11.787
H: 0.317 – 6.294		 600 32.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 185
sparky, xeasy		 183
sparky, xeasy		 98.92
8 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×128×514C: 32.014 – 55.826
HC: -0.338 – 6.112
H: -1.006 – 5.997		 600 34.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 1391
sparky, xeasy		 1326
sparky, xeasy		 95.33
9 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×128×514C: 31.993 – 55.805
HC: -0.338 – 6.112
H: -1.014 – 5.989		 600 34.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 2079
sparky, xeasy		 1976
sparky, xeasy		 95.05
10 HNCA
ucsf, pipe, .3D.16, .3D.param		 128×128×512N: 103.304 – 133.070
C: 41.053 – 72.865
HN: 4.807 – 11.783		 600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 139
sparky, xeasy		 138
sparky, xeasy		 99.28
11 HNCO
ucsf, pipe, .3D.16, .3D.param		 128×128×512N: 104.460 – 134.226
C: 167.889 – 189.801
HN: 4.806 – 11.782		 600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 81
sparky, xeasy		 69
sparky, xeasy		 85.19
12 HNcoCA
ucsf, pipe, .3D.16, .3D.param		 128×128×512N: 103.351 – 133.117
C: 41.078 – 72.839
HN: 4.807 – 11.783		 600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 69
sparky, xeasy		 69
sparky, xeasy		 100.00
13 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 256×512N: 100.769 – 135.632
H: 4.823 – 11.783		 800 0.50 N–H: spectrum, spectrum with peaks 122
sparky, xeasy		 81
sparky, xeasy		 66.39
14 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 128×1024×403N: 104.459 – 135.047
HN: 4.812 – 11.779
H: -0.985 – 10.007		 800 204.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 1710
sparky, xeasy		 1343
sparky, xeasy		 78.54

2KRS (74 residues, PDB, BMRB, 2009)

Reference:
Ramelot, T.A., Cort, J.R., Maglaqui, M., Ciccosanti, C., Janjua, H., Nair, R., Rost, B., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Kennedy, M.A. Solution NMR structure of SH3 domain from CPF_0587 (fragment 415-479) from Clostridium perfringens. Northeast Structural Genomics Consortium (NESG) Target CpR74A. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 957×371C: 10.144 – 80.163
H: -0.317 – 6.181		 600 1.69 C–H: spectrum, spectrum with peaks 310
sparky, xeasy		 292
sparky, xeasy		 94.19
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param		 256×192C: 110.117 – 140.000
H: 5.996 – 8.794		 600 0.19 C–H: spectrum, spectrum with peaks 38
sparky, xeasy		 26
sparky, xeasy		 68.42
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×478×256C: 11.334 – 78.797
HC: -0.495 – 6.494
H: -0.679 – 10.282		 850 61.63 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 5793
sparky, xeasy		 5458
sparky, xeasy		 94.22
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 128×192×512C: 110.234 – 140.000
HC: 5.996 – 8.794
H: -0.699 – 10.280		 600 48.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 438
sparky, xeasy		 350
sparky, xeasy		 79.91
5 CBCANH
ucsf, pipe, .3D.16, .3D.param		 256×128×257N: 101.125 – 133.000
C: 14.008 – 78.500
HN: 5.995 – 10.502		 600 34.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 273
sparky, xeasy		 249
sparky, xeasy		 91.21
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 256×128×285N: 101.113 – 132.987
C: 13.805 – 78.297
HN: 6.226 – 11.226		 600 36.13 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 168
sparky, xeasy		 156
sparky, xeasy		 92.86
7 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×512×383C1: 8.434 – 78.168
C2: 8.260 – 78.123
H1: -0.517 – 6.192		 600 192.50 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks		 1063
sparky, xeasy		 1027
sparky, xeasy		 96.61
8 CCNOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 64×32×128×1024C1: 13.617 – 33.987
C2: 13.940 – 33.987
H1: -0.474 – 6.469
H2: -3.685 – 9.638		 600 1024.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C1–H2: projection, projection with peaks
C2–H1: projection, projection with peaks
H2–C2: projection, projection with peaks
H2–H1: projection, projection with peaks		 2616
sparky, xeasy		 2560
sparky, xeasy		 97.86
9 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×128×253N: 101.136 – 132.989
C: 9.086 – 83.500
HN: 5.997 – 10.508		 600 31.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 246
sparky, xeasy		 233
sparky, xeasy		 94.72
10 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 128×330×128N: 101.261 – 132.988
HN: 6.009 – 10.506
H: 0.341 – 6.294		 600 21.25 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 190
sparky, xeasy		 172
sparky, xeasy		 90.53
11 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×256×513C: 8.354 – 78.084
HC: -0.672 – 6.300
H: -0.480 – 6.519		 600 136.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 1088
sparky, xeasy		 1034
sparky, xeasy		 95.04
12 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×241×392C: 8.272 – 78.002
HC: -0.992 – 6.508
H: -0.490 – 6.509		 600 101.60 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 1560
sparky, xeasy		 1506
sparky, xeasy		 96.54
13 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×256×253N: 101.136 – 132.989
H: -1.189 – 6.780
HN: 5.997 – 10.508		 600 63.75 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks		 355
sparky, xeasy		 335
sparky, xeasy		 94.37
14 HNCO
ucsf, pipe, .3D.16, .3D.param		 256×128×257N: 101.125 – 133.000
C: 167.475 – 180.629
HN: 5.995 – 10.502		 600 34.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 88
sparky, xeasy		 81
sparky, xeasy		 92.05
15 HNcoCA
ucsf, pipe, .3D.16, .3D.param		 128×64×258N: 101.261 – 132.988
C: 41.484 – 71.016
HN: 6.011 – 10.511		 600 9.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 72
sparky, xeasy		 66
sparky, xeasy		 91.67
16 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 128×258×256N: 101.323 – 133.077
HN: 6.006 – 10.506
H: -0.679 – 10.282		 850 34.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 1934
sparky, xeasy		 1586
sparky, xeasy		 82.01

2K53 (76 residues, PDB, BMRB, 2008)

Reference:
Swapna, G.V.T., Huang, W., Jiang, M., Foote, E.L., Xiao, R., Nair, R., Everett, J., Acton, T.B., Rost, B., Montelione, G.T. NMR Solution Structure of A3DK08 protein from Clostridium thermocellum: Northeast Structural Genomics Consortium Target CmR9. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×478C: 5.144 – 78.855
H: -0.541 – 5.956		 800 0.58 C–H: spectrum, spectrum with peaks 337
sparky, xeasy		 322
sparky, xeasy		 95.55
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×361×357C: 19.949 – 89.812
HC: 0.027 – 4.930
H: 0.052 – 9.787		 800 271.69 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 4922
sparky, xeasy		 4787
sparky, xeasy		 97.26
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 256×148×441C: 113.002 – 142.885
HC: 5.810 – 7.812
H: -0.210 – 10.102		 800 70.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 293
sparky, xeasy		 272
sparky, xeasy		 92.83
4 CBCANH
ucsf, pipe, .3D.16, .3D.param		 256×256×512N: 101.668 – 134.449
C: 8.817 – 88.515
HN: 4.797 – 11.454		 600 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 284
sparky, xeasy		 265
sparky, xeasy		 93.31
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 256×203×267N: 101.706 – 134.487
C: 14.568 – 77.701
HN: 6.530 – 9.995		 600 58.50 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 157
sparky, xeasy		 149
sparky, xeasy		 94.90
6 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×256×462C1: 25.735 – 49.642
C2: -1.874 – 77.393
H1: -0.029 – 5.977		 600 119.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks		 1182
sparky, xeasy		 1152
sparky, xeasy		 97.46
7 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 256×288×110N: 101.668 – 134.449
HN: 6.713 – 10.452
H: 0.980 – 5.240		 600 31.50 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 197
sparky, xeasy		 185
sparky, xeasy		 93.91
8 HCCHTOCSY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 156×93×162C: 115.608 – 135.682
HC: 5.088 – 8.084
H: 6.070 – 7.643		 600 11.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 74
sparky, xeasy		 59
sparky, xeasy		 79.73
9 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 240×146×239N: 103.197 – 133.921
H: 0.120 – 5.787
HN: 6.717 – 9.818		 600 37.50 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks		 352
sparky, xeasy		 340
sparky, xeasy		 96.59
10 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 245×493N: 103.946 – 132.540
H: 6.538 – 9.888		 800 0.50 N–H: spectrum, spectrum with peaks 101
sparky, xeasy		 77
sparky, xeasy		 76.24
11 N15NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 493×259×403N: 103.616 – 133.010
HN: 6.544 – 10.058
H: -0.546 – 10.446		 800 209.98 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 1457
sparky, xeasy		 1331
sparky, xeasy		 91.35

2JT1 (77 residues, PDB, BMRB, 2007)

Reference:
Aramini, J.M., Rossi, P., Cort, J.R., Ma, L.C., Xiao, R., Acton, T.B., Montelione, G.T. (2011). Solution NMR structure of the plasmid-encoded fimbriae regulatory protein PefI from Salmonella enterica serovar Typhimurium. Proteins 79: 335-339

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 1024×1024C: 5.338 – 80.223
H: -2.174 – 11.759		 800 4.00 C–H: spectrum, spectrum with peaks 342
sparky, xeasy		 317
sparky, xeasy		 92.69
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×495×512C: 2.372 – 80.747
HC: -0.921 – 5.807
H: -0.207 – 9.771		 800 512.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 4218
sparky, xeasy		 4059
sparky, xeasy		 96.23
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 256×512×512C: 112.980 – 142.871
HC: 4.789 – 11.749
H: -0.945 – 10.529		 800 256.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 124
sparky, xeasy		 114
sparky, xeasy		 91.94
4 CBCANH
ucsf, pipe, .3D.16, .3D.param		 256×512×512N: 104.749 – 131.640
C: 4.331 – 79.257
HN: 4.795 – 11.756		 800 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 286
sparky, xeasy		 252
sparky, xeasy		 88.11
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 256×512×512N: 104.746 – 131.637
C: 4.324 – 79.249
HN: 4.792 – 11.752		 800 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 166
sparky, xeasy		 150
sparky, xeasy		 90.36
6 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 256×512×512N: 104.715 – 131.605
HN: 4.796 – 11.756
H: 1.038 – 6.029		 800 256.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 197
sparky, xeasy		 173
sparky, xeasy		 87.82
7 HNCO
ucsf, pipe, .3D.16, .3D.param		 256×512×512N: 104.725 – 131.615
C: 168.783 – 188.741
HN: 4.790 – 11.750		 800 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 86
sparky, xeasy		 78
sparky, xeasy		 90.70
8 HNcaCO
ucsf, pipe, .3D.16, .3D.param		 256×512×512N: 104.715 – 131.605
C: 168.797 – 188.755
HN: 4.795 – 11.755		 800 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 149
sparky, xeasy		 132
sparky, xeasy		 88.59
9 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 1024×1024N: 104.638 – 131.613
H: 4.794 – 11.761		 800 4.00 N–H: spectrum, spectrum with peaks 119
sparky, xeasy		 81
sparky, xeasy		 68.07
10 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 256×512×512N: 104.718 – 131.614
HN: 4.808 – 11.769
H: -0.934 – 10.540		 800 256.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 1389
sparky, xeasy		 1171
sparky, xeasy		 84.31

2JVO (77 residues, PDB, BMRB, 2007)

Reference:
Skrisovska, L., Allain, F.H. (2008). Improved segmental isotope labeling methods for the NMR study of multidomain or large proteins: application to the RRMs of Npl3p and hnRNP L. J Mol Biol 375: 151-164

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 415×1020C: 6.534 – 71.217
H: -0.458 – 6.509		 500 1.63 C–H: spectrum, spectrum with peaks 350
sparky, xeasy		 310
sparky, xeasy		 88.57
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param		 173×298C: 110.215 – 137.087
H: 6.085 – 8.116		 500 0.28 C–H: spectrum, spectrum with peaks 46
sparky, xeasy		 22
sparky, xeasy		 47.83
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×993×433C: 0.904 – 80.600
HC: -0.496 – 6.305
H: -0.336 – 11.481		 900 448.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 5293
sparky, xeasy		 4705
sparky, xeasy		 88.89
4 CBCANH
ucsf, pipe, .3D.16, .3D.param		 256×256×1024N: 94.308 – 130.168
C: 11.188 – 72.946
HN: 4.706 – 11.700		 500 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 276
sparky, xeasy		 241
sparky, xeasy		 87.32
5 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×256×2048C1: 5.990 – 75.708
C2: 6.017 – 75.736
H1: -0.863 – 10.152		 600 512.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks		 1252
sparky, xeasy		 1068
sparky, xeasy		 85.30
6 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×302×585C: 5.728 – 71.513
HC: -0.519 – 6.545
H: -0.402 – 6.451		 500 180.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 1878
sparky, xeasy		 1596
sparky, xeasy		 84.98
7 HNCA
ucsf, pipe, .3D.16, .3D.param		 256×256×1024N: 94.248 – 130.108
C: 40.409 – 72.285
HN: 4.718 – 11.712		 500 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 141
sparky, xeasy		 119
sparky, xeasy		 84.40
8 HNcoCA
ucsf, pipe, .3D.16, .3D.param		 256×256×1024N: 94.240 – 130.100
C: 40.908 – 72.783
HN: 4.706 – 11.700		 500 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 70
sparky, xeasy		 59
sparky, xeasy		 84.29
9 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 512×1024N: 94.897 – 130.828
H: 4.715 – 11.651		 600 2.00 N–H: spectrum, spectrum with peaks 99
sparky, xeasy		 79
sparky, xeasy		 79.80
10 N15NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×1024×512N: 94.378 – 130.095
HN: 4.713 – 11.696
H: -2.258 – 11.714		 600 256.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 1567
sparky, xeasy		 1319
sparky, xeasy		 84.17

2ERR (81 residues, PDB, BMRB, 2005)

Reference:
Auweter, S.D., Fasan, R., Reymond, L., Underwood, J.G., Black, D.L., Pitsch, S., Allain, F.H. (2006). Molecular basis of RNA recognition by the human alternative splicing factor Fox-1. EMBO J 25: 163-173

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 460×1154C: 5.576 – 73.702
H: -0.402 – 6.337		 600 2.34 C–H: spectrum, spectrum with peaks 365
sparky, xeasy		 317
sparky, xeasy		 86.85
2 C13NOESY
ucsf, pipe, .3D.16, .3D.param		 128×609×474C: 7.402 – 76.867
HC: -0.463 – 6.648
H: -0.914 – 10.149		 900 150.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 5760
sparky, xeasy		 4392
sparky, xeasy		 76.25
3 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 128×256×1024N: 90.990 – 141.592
C: 15.191 – 74.952
HN: 4.613 – 12.098		 600 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 177
sparky, xeasy		 172
sparky, xeasy		 97.18
4 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×282×521C: 7.124 – 72.228
HC: -0.783 – 6.625
H: -0.258 – 6.332		 600 76.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 1963
sparky, xeasy		 1493
sparky, xeasy		 76.06
5 HNCA
ucsf, pipe, .3D.16, .3D.param		 120×128×767N: 101.833 – 133.443
C: 40.756 – 74.489
HN: 6.328 – 11.556		 600 45.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 156
sparky, xeasy		 151
sparky, xeasy		 96.79
6 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 512×1024N: 98.779 – 138.700
H: 4.625 – 12.629		 600 2.00 N–H: spectrum, spectrum with peaks 144
sparky, xeasy		 91
sparky, xeasy		 63.19
7 N15NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×1024×512N: 99.188 – 132.922
HN: 4.606 – 12.610
H: -3.374 – 12.593		 750 256.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 1778
sparky, xeasy		 1315
sparky, xeasy		 73.96

2L1P (83 residues, PDB, BMRB, 2010)

Reference:
Swapna, G.V.T., Montelione, A.F., Shastry, R., Ciccosanti, C., Janjua, H., Xiao, R., Acton, T.B., Everett, J.K., Montelione, G.T. NMR solution structure of the N-terminal domain of DNA-binding protein SATB1 from Homo sapiens: Northeast Structural Genomics Target HR4435B(179-250). To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC
ucsf, pipe, .3D.16, .3D.param		 1024×1024C: -9.964 – 155.532
H: -1.224 – 10.734		 600 4.00 C–H: spectrum, spectrum with peaks 419
sparky, xeasy		 361
sparky, xeasy		 86.16
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×537×512C: 19.884 – 89.747
HC: -0.859 – 6.442
H: -2.220 – 11.753		 800 544.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 4754
sparky, xeasy		 4166
sparky, xeasy		 87.63
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 512×512×512C: 113.623 – 141.568
HC: 4.764 – 11.724
H: -2.222 – 11.751		 800 512.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 334
sparky, xeasy		 242
sparky, xeasy		 72.46
4 CBCANH
ucsf, pipe, .3D.16, .3D.param		 256×256×512N: 101.331 – 135.198
C: 4.500 – 79.223
HN: 4.770 – 11.746		 600 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 314
sparky, xeasy		 274
sparky, xeasy		 87.26
5 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×256×477C1: 29.820 – 53.727
C2: 4.625 – 79.332
H1: -0.500 – 5.998		 600 123.25 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks		 1259
sparky, xeasy		 1153
sparky, xeasy		 91.58
6 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 256×512×256N: 100.272 – 136.132
HN: 4.770 – 11.746
H: -1.213 – 6.756		 600 128.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 221
sparky, xeasy		 192
sparky, xeasy		 86.88
7 HNCO
ucsf, pipe, .3D.16, .3D.param		 256×256×512N: 101.331 – 135.198
C: 167.792 – 189.791
HN: 4.770 – 11.746		 600 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 95
sparky, xeasy		 67
sparky, xeasy		 70.53
8 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 256×1024N: 102.289 – 134.164
H: 4.760 – 11.727		 800 1.00 N–H: spectrum, spectrum with peaks 125
sparky, xeasy		 87
sparky, xeasy		 69.60
9 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 512×512×512N: 100.792 – 131.561
HN: 4.764 – 11.724
H: -2.221 – 11.752		 800 512.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 1868
sparky, xeasy		 1450
sparky, xeasy		 77.62

2LN3 (83 residues, PDB, BMRB, 2011)

Reference:
Koga, N., Tatsumi-Koga, R., Liu, G., Xiao, R., Acton, T.B., Montelione, G.T., Baker, D. (2012). Principles for designing ideal protein structures. Nature 491: 222-227

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×2048C: 6.791 – 76.654
H: -2.165 – 11.776		 800 4.00 C–H: spectrum, spectrum with peaks 396
sparky, xeasy		 375
sparky, xeasy		 94.70
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param		 128×2048C: 112.890 – 142.656
H: -2.165 – 11.776		 800 1.00 C–H: spectrum, spectrum with peaks 32
sparky, xeasy		 20
sparky, xeasy		 62.50
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×504×412C: 20.046 – 89.499
HC: -0.799 – 6.052
H: -0.800 – 10.439		 800 104.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 5630
sparky, xeasy		 5284
sparky, xeasy		 93.85
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 64×144×256C: 113.242 – 142.773
HC: 6.018 – 7.966
H: -1.643 – 11.306		 800 12.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 363
sparky, xeasy		 310
sparky, xeasy		 85.40
5 CBCANH
ucsf, pipe, .3D.16, .3D.param		 64×256×512N: 104.569 – 132.131
C: 4.417 – 79.124
HN: 4.813 – 11.773		 800 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 320
sparky, xeasy		 288
sparky, xeasy		 90.00
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 64×256×512N: 104.569 – 132.131
C: 4.417 – 79.124
HN: 4.813 – 11.773		 800 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 191
sparky, xeasy		 176
sparky, xeasy		 92.15
7 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 64×128×1024C1: 29.958 – 53.583
C2: 4.856 – 79.270
H1: -2.161 – 11.773		 800 32.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks		 1466
sparky, xeasy		 1420
sparky, xeasy		 96.86
8 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 64×512×256N: 104.569 – 132.131
HN: 4.813 – 11.773
H: -0.417 – 6.556		 800 32.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 226
sparky, xeasy		 203
sparky, xeasy		 89.82
9 HNCO
ucsf, pipe, .3D.16, .3D.param		 64×64×512N: 104.569 – 132.131
C: 167.943 – 189.599
HN: 4.813 – 11.773		 800 8.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 98
sparky, xeasy		 73
sparky, xeasy		 74.49
10 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 512×1024N: 104.158 – 132.104
H: 4.803 – 11.770		 800 2.00 N–H: spectrum, spectrum with peaks 134
sparky, xeasy		 93
sparky, xeasy		 69.40
11 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 128×324×512N: 102.873 – 133.631
HN: 6.011 – 10.411
H: -2.164 – 11.803		 800 88.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 1791
sparky, xeasy		 1420
sparky, xeasy		 79.29

2HEQ (84 residues, PDB, BMRB, 2006)

Reference:
Ramelot, T.A., Cort, J.R., Xiao, R., Swapna, G.V.T., Acton, T.B., Montelione, G.T., Kennedy, M.A.. NMR Structure of Bacillus subtilis protein YorP, Northeast Structural Genomics Target SR399. (To be published)

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 854×512C: 5.046 – 80.017
H: -2.001 – 7.003		 749 1.86 C–H: spectrum, spectrum with peaks 349
sparky, xeasy		 340
sparky, xeasy		 97.42
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×512×256C: 31.137 – 54.949
HC: -2.004 – 7.000
H: -1.641 – 11.310		 749 64.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 3686
sparky, xeasy		 3496
sparky, xeasy		 94.85
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×481×256C: 31.177 – 55.084
HC: -2.030 – 6.964
H: -0.191 – 9.770		 600 127.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 3686
sparky, xeasy		 3496
sparky, xeasy		 94.85
4 CBCANH
ucsf, pipe, .3D.16, .3D.param		 128×128×378N: 106.201 – 130.013
C: 11.514 – 80.967
HN: 5.012 – 12.008		 600 24.44 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 298
sparky, xeasy		 284
sparky, xeasy		 95.30
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 128×128×378N: 106.201 – 130.013
C: 11.492 – 80.945
HN: 5.010 – 12.006		 600 24.44 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 160
sparky, xeasy		 154
sparky, xeasy		 96.25
6 CCNOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 64×32×128×1024C1: 13.614 – 33.990
C2: 13.902 – 33.955
H1: -0.463 – 6.482
H2: -3.672 – 9.656		 600 1024.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C1–H2: projection, projection with peaks
C2–H1: projection, projection with peaks
H2–C2: projection, projection with peaks
H2–H1: projection, projection with peaks		 2689
sparky, xeasy		 2640
sparky, xeasy		 98.18
7 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×241×406C: 31.056 – 54.963
HC: -1.023 – 6.478
H: -1.023 – 6.493		 600 105.84 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 1237
sparky, xeasy		 1206
sparky, xeasy		 97.49
8 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×241×406C: 31.057 – 54.964
HC: -1.020 – 6.480
H: -1.022 – 6.493		 600 105.84 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 1771
sparky, xeasy		 1736
sparky, xeasy		 98.02
9 HNCA
ucsf, pipe, .3D.16, .3D.param		 128×64×378N: 106.212 – 130.024
C: 41.380 – 70.911
HN: 5.010 – 12.006		 600 13.22 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 157
sparky, xeasy		 150
sparky, xeasy		 95.54
10 HNCO
ucsf, pipe, .3D.16, .3D.param		 128×64×378N: 106.210 – 130.026
C: 166.291 – 181.957
HN: 5.010 – 12.005		 600 13.22 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 84
sparky, xeasy		 75
sparky, xeasy		 89.29
11 HNcoCA
ucsf, pipe, .3D.16, .3D.param		 128×64×378N: 106.201 – 130.013
C: 41.440 – 70.972
HN: 5.010 – 12.006		 600 13.22 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 78
sparky, xeasy		 75
sparky, xeasy		 96.15
12 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 512×444N: 106.009 – 129.962
H: 4.514 – 12.023		 749 0.97 N–H: spectrum, spectrum with peaks 112
sparky, xeasy		 84
sparky, xeasy		 75.00
13 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 256×400×512N: 106.087 – 129.993
HN: 4.998 – 12.007
H: -1.669 – 11.306		 600 204.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 1247
sparky, xeasy		 1023
sparky, xeasy		 82.04

2KK8 (84 residues, PDB, BMRB, 2009)

Reference:
Mani, R., Gurla, S.V.T., Shastry, R., Ciccosanti, C., Foote, E., Jiang, M., Xiao, R., Nair, R., Everett, J., Huang, Y., Acton, T., Rost, B., Montelione, G.T. NMR Solution Structure of a Putative Uncharacterized Protein obtained from Arabidopsis thaliana: Northeast Structural Genomics Consortium Target AR3449A. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×998C: -2.011 – 77.413
H: -0.498 – 5.997		 600 2.18 C–H: spectrum, spectrum with peaks 383
sparky, xeasy		 340
sparky, xeasy		 88.77
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×478×512C: 20.092 – 89.818
HC: -0.504 – 5.993
H: -2.123 – 11.849		 800 245.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 7332
sparky, xeasy		 6501
sparky, xeasy		 88.67
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 256×512×256C: 114.178 – 142.068
HC: 4.862 – 11.822
H: -2.047 – 11.899		 800 128.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 208
sparky, xeasy		 105
sparky, xeasy		 50.48
4 CBCANH
ucsf, pipe, .3D.16, .3D.param		 256×256×512N: 101.581 – 134.363
C: 8.819 – 88.517
HN: 4.827 – 11.484		 600 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 320
sparky, xeasy		 288
sparky, xeasy		 90.00
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 256×256×256N: 100.048 – 136.107
C: 12.415 – 85.077
HN: 4.844 – 11.488		 600 64.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 191
sparky, xeasy		 176
sparky, xeasy		 92.15
6 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×256×270C1: 25.753 – 49.661
C2: 1.415 – 74.078
H1: -0.505 – 6.504		 600 68.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks		 1391
sparky, xeasy		 1264
sparky, xeasy		 90.87
7 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×256×512N: 100.048 – 136.107
C: 12.415 – 85.077
HN: 4.835 – 11.492		 600 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 307
sparky, xeasy		 291
sparky, xeasy		 94.79
8 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×512×512N: 99.056 – 135.186
H: -0.165 – 9.821
HN: 4.831 – 11.488		 600 512.00 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks		 440
sparky, xeasy		 399
sparky, xeasy		 90.68
9 HNCA
ucsf, pipe, .3D.16, .3D.param		 256×256×256N: 101.680 – 134.462
C: 34.834 – 74.468
HN: 4.845 – 11.818		 600 64.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 163
sparky, xeasy		 146
sparky, xeasy		 89.57
10 HNCO
ucsf, pipe, .3D.16, .3D.param		 256×256×256N: 100.048 – 136.107
C: 168.041 – 185.213
HN: 4.844 – 11.488		 600 64.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 97
sparky, xeasy		 70
sparky, xeasy		 72.16
11 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 256×512N: 101.277 – 135.144
H: 4.855 – 11.815		 800 0.50 N–H: spectrum, spectrum with peaks 125
sparky, xeasy		 89
sparky, xeasy		 71.20
12 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 256×512×256N: 102.847 – 133.556
HN: 4.855 – 11.815
H: -2.113 – 11.833		 800 128.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 2408
sparky, xeasy		 1976
sparky, xeasy		 82.06

2KD0 (85 residues, PDB, BMRB, 2008)

Reference:
Swapna, G.V.T., Shastry, R., Foote, E., Ciccosanti, C., Jiang, M., Xiao, R., Nair, R., Everett, J., Huang, Y., Acton, T.B., Rost, B., Montelione, G.T. NMR solution structure of O64736 protein from Arabidopsis thaliana. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×515C: 5.093 – 78.948
H: -0.504 – 6.497		 800 1.13 C–H: spectrum, spectrum with peaks 395
sparky, xeasy		 364
sparky, xeasy		 92.15
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×478×512C: 20.256 – 89.982
HC: -0.504 – 5.993
H: -2.123 – 11.849		 800 245.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 8208
sparky, xeasy		 7693
sparky, xeasy		 93.73
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 256×512×256C: 113.862 – 141.753
HC: 4.863 – 11.823
H: -2.096 – 11.849		 800 128.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 268
sparky, xeasy		 178
sparky, xeasy		 66.42
4 CBCANH
ucsf, pipe, .3D.16, .3D.param		 256×256×512N: 99.389 – 133.256
C: 4.689 – 79.412
HN: 4.863 – 11.827		 800 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 307
sparky, xeasy		 267
sparky, xeasy		 86.97
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 256×256×512N: 99.349 – 133.217
C: 4.602 – 79.323
HN: 4.863 – 11.827		 800 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 177
sparky, xeasy		 158
sparky, xeasy		 89.27
6 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×256×508C1: 30.050 – 53.957
C2: 7.171 – 76.898
H1: -0.508 – 6.398		 800 131.75 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks		 1482
sparky, xeasy		 1419
sparky, xeasy		 95.75
7 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 256×512×256N: 99.310 – 133.177
HN: 4.865 – 12.860
H: 0.373 – 6.349		 800 128.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 215
sparky, xeasy		 185
sparky, xeasy		 86.05
8 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×256×515C: 30.219 – 54.125
HC: -0.373 – 6.599
H: -0.504 – 6.497		 800 136.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 2209
sparky, xeasy		 2110
sparky, xeasy		 95.52
9 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×256×512N: 99.323 – 133.190
H: -1.144 – 6.825
HN: 4.851 – 11.826		 600 128.00 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks		 426
sparky, xeasy		 392
sparky, xeasy		 92.02
10 HNCO
ucsf, pipe, .3D.16, .3D.param		 256×256×512N: 99.270 – 133.137
C: 167.860 – 189.859
HN: 4.863 – 11.823		 800 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 92
sparky, xeasy		 70
sparky, xeasy		 76.09
11 HNcaCO
ucsf, pipe, .3D.16, .3D.param		 256×256×512N: 99.310 – 133.177
C: 167.860 – 189.859
HN: 4.863 – 11.823		 800 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 161
sparky, xeasy		 140
sparky, xeasy		 86.96
12 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 512×512N: 99.263 – 133.197
H: 4.863 – 11.827		 800 1.00 N–H: spectrum, spectrum with peaks 115
sparky, xeasy		 82
sparky, xeasy		 71.30
13 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 256×512×256N: 100.883 – 131.591
HN: 4.863 – 11.823
H: -2.096 – 11.849		 800 128.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 2326
sparky, xeasy		 1907
sparky, xeasy		 81.99

2LML (86 residues, PDB, BMRB, 2011)

Reference:
Ramelot, T.A., Smola, M.J., Lee, H.W., Ciccosanti, C., Hamilton, K., Acton, T.B., Xiao, R., Everett, J.K., Prestegard, J.H., Montelione, G.T., Kennedy, M.A. (2011). Solution structure of 4'-phosphopantetheine - GmACP3 from Geobacter metallireducens: a specialized acyl carrier protein with atypical structural features and a putative role in lipopolysaccharide biosynthesis. Biochemistry 50: 1442-1453

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×359C: 3.250 – 83.094
H: -1.003 – 5.985		 600 0.77 C–H: spectrum, spectrum with peaks 387
sparky, xeasy		 370
sparky, xeasy		 95.61
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×401×256C: 7.074 – 76.800
HC: -0.996 – 6.008
H: -1.004 – 10.650		 850 106.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 8251
sparky, xeasy		 7859
sparky, xeasy		 95.25
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 64×172×256C: 112.733 – 140.305
HC: 6.008 – 9.003
H: -1.036 – 10.682		 850 11.81 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 583
sparky, xeasy		 497
sparky, xeasy		 85.25
4 CBCANH
ucsf, pipe, .3D.16, .3D.param		 128×128×258N: 103.234 – 133.000
C: 14.160 – 78.652
HN: 5.985 – 11.002		 600 18.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 332
sparky, xeasy		 308
sparky, xeasy		 92.77
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 256×128×386N: 103.082 – 132.965
C: 14.008 – 78.500
HN: 5.985 – 13.500		 600 51.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 186
sparky, xeasy		 174
sparky, xeasy		 93.55
6 CCNOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 64×64×1024×128C1: 13.617 – 33.986
C2: 13.617 – 33.986
H1: -3.670 – 9.653
H2: -0.459 – 6.484		 600 2048.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C1–H2: projection, projection with peaks
C2–H1: projection, projection with peaks
H2–C2: projection, projection with peaks
H2–H1: projection, projection with peaks		 3755
sparky, xeasy		 3686
sparky, xeasy		 98.16
7 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×128×258N: 103.082 – 132.965
C: 14.008 – 78.500
HN: 5.991 – 11.007		 600 34.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 297
sparky, xeasy		 282
sparky, xeasy		 94.95
8 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 256×315×256N: 102.910 – 133.337
HN: 5.506 – 11.004
H: 0.412 – 6.271		 850 80.75 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 230
sparky, xeasy		 212
sparky, xeasy		 92.17
9 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×256×401C: 7.348 – 76.799
HC: -1.381 – 5.592
H: -1.012 – 5.993		 850 53.13 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 1387
sparky, xeasy		 1334
sparky, xeasy		 96.18
10 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×256×401C: 7.074 – 76.799
HC: -1.438 – 5.534
H: -0.996 – 6.008		 850 106.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 2079
sparky, xeasy		 2016
sparky, xeasy		 96.97
11 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×128×258N: 103.082 – 132.965
H: -0.669 – 6.277
HN: 5.991 – 11.007		 600 34.00 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks		 418
sparky, xeasy		 396
sparky, xeasy		 94.74
12 HNCO
ucsf, pipe, .3D.16, .3D.param		 256×128×258N: 103.082 – 132.965
C: 165.633 – 182.500
HN: 5.991 – 11.007		 600 34.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 94
sparky, xeasy		 82
sparky, xeasy		 87.23
13 HNcoCA
ucsf, pipe, .3D.16, .3D.param		 256×128×386N: 103.082 – 132.965
C: 41.305 – 71.070
HN: 5.991 – 13.506		 600 51.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 84
sparky, xeasy		 78
sparky, xeasy		 92.86
14 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 256×308N: 103.193 – 133.076
H: 6.006 – 10.504		 850 0.30 N–H: spectrum, spectrum with peaks 125
sparky, xeasy		 91
sparky, xeasy		 72.80
15 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 128×315×256N: 103.240 – 133.077
HN: 4.998 – 10.497
H: -1.036 – 10.682		 850 40.38 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 2627
sparky, xeasy		 2209
sparky, xeasy		 84.09

2K3D (87 residues, PDB, BMRB, 2008)

Reference:
Ramelot, T.A., Zhao, L., Jiang, M., Foote, E.L., Xiao, R., Liu, J., Baran, M.C., Swapna, G.V.T., Acton, T.B., Rost, B., Montelione, G.T., Kennedy, M.A. Solution NMR structure of the folded 79 residue fragment of Lin0334 from Listeria innocua. Northeast Structural Genomics Consortium target LkR15. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param		 512×240C: 112.841 – 142.782
H: 5.503 – 9.005		 850 0.47 C–H: spectrum, spectrum with peaks 66
sparky, xeasy		 47
sparky, xeasy		 71.21
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×478×256C: 6.768 – 81.324
HC: -0.989 – 6.001
H: -0.679 – 10.282		 850 123.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 6753
sparky, xeasy		 6387
sparky, xeasy		 94.58
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 256×240×256C: 114.871 – 140.770
HC: 5.503 – 9.005
H: -0.657 – 10.300		 850 60.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 695
sparky, xeasy		 538
sparky, xeasy		 77.41
4 CBCANH
ucsf, pipe, .3D.16, .3D.param		 128×128×308N: 103.849 – 132.642
C: 10.444 – 79.719
HN: 5.503 – 10.002		 850 20.19 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 326
sparky, xeasy		 298
sparky, xeasy		 91.41
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 128×256×308N: 103.849 – 132.642
C: 10.662 – 80.210
HN: 5.499 – 9.997		 850 40.38 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 202
sparky, xeasy		 188
sparky, xeasy		 93.07
6 CCNOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 64×64×1024×128C1: 13.617 – 33.986
C2: 13.617 – 33.986
H1: -3.660 – 9.663
H2: -0.449 – 6.494		 600 2048.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C1–H2: projection, projection with peaks
C2–H1: projection, projection with peaks
H2–C2: projection, projection with peaks
H2–H1: projection, projection with peaks		 3131
sparky, xeasy		 3070
sparky, xeasy		 98.05
7 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 128×308×256N: 103.817 – 132.610
HN: 5.499 – 9.997
H: 0.412 – 6.271		 850 40.38 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 229
sparky, xeasy		 211
sparky, xeasy		 92.14
8 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×256×479C: 7.248 – 76.699
HC: -0.382 – 6.591
H: -0.963 – 6.041		 850 61.63 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 2027
sparky, xeasy		 1978
sparky, xeasy		 97.58
9 HNCA
ucsf, pipe, .3D.16, .3D.param		 64×128×308N: 104.008 – 132.574
C: 41.432 – 71.185
HN: 5.499 – 9.997		 850 10.69 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 167
sparky, xeasy		 153
sparky, xeasy		 91.62
10 HNCO
ucsf, pipe, .3D.16, .3D.param		 128×128×274N: 103.817 – 132.610
C: 166.822 – 183.698
HN: 6.002 – 10.002		 850 18.06 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 103
sparky, xeasy		 96
sparky, xeasy		 93.20
11 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 256×343N: 103.579 – 132.466
H: 4.988 – 11.000		 600 0.42 N–H: spectrum, spectrum with peaks 124
sparky, xeasy		 98
sparky, xeasy		 79.03
12 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 256×410×256N: 103.704 – 132.610
HN: 5.503 – 11.496
H: -0.657 – 10.300		 850 106.25 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 2291
sparky, xeasy		 1969
sparky, xeasy		 85.95

2LK2 (89 residues, PDB, BMRB, 2011)

Reference:
Yang, Y., Ramelot, T.A., Cort, J.R., Shastry, R., Ciccosanti, C., Hamilton, K., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Kennedy, M.A. Solution NMR structure of homeobox domain (171-248) of human homeobox protein TGIF1, Northeast Structural Genomics Consortium Target HR4411B. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 1024×429C: 3.234 – 88.151
H: -0.994 – 6.501		 850 1.86 C–H: spectrum, spectrum with peaks 413
sparky, xeasy		 388
sparky, xeasy		 93.95
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param		 256×274C: 108.133 – 142.000
H: 5.498 – 9.498		 850 0.33 C–H: spectrum, spectrum with peaks 50
sparky, xeasy		 22
sparky, xeasy		 44.00
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×458×256C: 12.974 – 78.845
HC: -1.506 – 6.496
H: -1.173 – 10.780		 850 231.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 6499
sparky, xeasy		 5923
sparky, xeasy		 91.14
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 256×274×256C: 111.416 – 141.301
HC: 5.498 – 9.498
H: -1.173 – 10.780		 850 72.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 459
sparky, xeasy		 220
sparky, xeasy		 47.93
5 CBCANH
ucsf, pipe, .3D.16, .3D.param		 256×256×343N: 103.113 – 132.000
C: 13.180 – 78.923
HN: 5.500 – 11.506		 600 89.25 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 332
sparky, xeasy		 312
sparky, xeasy		 93.98
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 256×128×371N: 103.113 – 132.000
C: 14.500 – 78.000
HN: 5.500 – 11.998		 600 48.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 205
sparky, xeasy		 195
sparky, xeasy		 95.12
7 CCNOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 32×32×1024×128C1: 13.940 – 33.987
C2: 13.940 – 33.987
H1: -3.685 – 9.638
H2: -0.474 – 6.469		 600 512.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C1–H2: projection, projection with peaks
C2–H1: projection, projection with peaks
H2–C2: projection, projection with peaks
H2–H1: projection, projection with peaks		 3055
sparky, xeasy		 2876
sparky, xeasy		 94.14
8 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×128×401N: 103.226 – 132.001
C: 9.086 – 83.500
HN: 5.496 – 12.004		 600 26.56 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 312
sparky, xeasy		 301
sparky, xeasy		 96.47
9 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 128×371×128N: 103.226 – 132.000
HN: 5.505 – 12.003
H: 0.093 – 7.039		 600 24.44 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 236
sparky, xeasy		 221
sparky, xeasy		 93.64
10 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×110×462C: 3.313 – 82.999
HC: -0.996 – 6.499
H: -0.991 – 6.510		 600 52.99 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 1555
sparky, xeasy		 1458
sparky, xeasy		 93.76
11 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×256×462C: 8.190 – 77.920
HC: -1.179 – 6.789
H: -0.986 – 6.514		 600 119.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 2225
sparky, xeasy		 2071
sparky, xeasy		 93.08
12 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×256×371N: 103.113 – 132.000
H: -0.672 – 6.300
HN: 5.505 – 12.003		 600 97.75 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks		 471
sparky, xeasy		 448
sparky, xeasy		 95.12
13 HNCA
ucsf, pipe, .3D.16, .3D.param		 256×128×371N: 103.113 – 132.000
C: 41.164 – 70.930
HN: 5.505 – 12.003		 600 48.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 169
sparky, xeasy		 159
sparky, xeasy		 94.08
14 HNCO
ucsf, pipe, .3D.16, .3D.param		 128×64×371N: 103.226 – 132.000
C: 168.218 – 183.968
HN: 5.495 – 11.993		 600 12.94 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 104
sparky, xeasy		 100
sparky, xeasy		 96.15
15 HNcoCA
ucsf, pipe, .3D.16, .3D.param		 256×128×371N: 103.113 – 132.000
C: 41.094 – 70.859
HN: 5.505 – 12.003		 600 48.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 84
sparky, xeasy		 79
sparky, xeasy		 94.05
16 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 1024×445N: 103.038 – 133.009
H: 5.498 – 12.002		 600 1.93 N–H: spectrum, spectrum with peaks 161
sparky, xeasy		 108
sparky, xeasy		 67.08
17 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 128×287×256N: 103.295 – 132.068
HN: 5.498 – 10.506
H: -0.677 – 10.280		 850 36.13 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 2445
sparky, xeasy		 1885
sparky, xeasy		 77.10

MH04 (90 residues, PDB)

Reference:
Not available

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×1024C: 6.306 – 84.411
H: -1.907 – 11.421		 600 2.00 C–H: spectrum, spectrum with peaks 411
sparky, xeasy		 352
sparky, xeasy		 85.64
2 C13NOESY
ucsf, pipe, .3D.16, .3D.param		 128×2048×512C: 6.223 – 80.214
HC: -2.133 – 11.614
H: -2.119 – 11.608		 800 512.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 6163
sparky, xeasy		 4616
sparky, xeasy		 74.90
3 CBCANH
ucsf, pipe, .3D.16, .3D.param		 256×256×1024N: 101.438 – 135.305
C: 7.689 – 87.378
HN: 4.774 – 11.438		 600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 325
sparky, xeasy		 315
sparky, xeasy		 96.92
4 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 256×256×1024N: 101.451 – 135.318
C: 10.203 – 84.910
HN: 4.775 – 11.439		 600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 210
sparky, xeasy		 206
sparky, xeasy		 98.10
5 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×256×1024N: 101.584 – 135.318
C: 6.797 – 88.477
HN: 4.775 – 11.439		 600 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 324
sparky, xeasy		 318
sparky, xeasy		 98.15
6 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 128×1024×256N: 101.557 – 135.292
HN: 4.786 – 11.433
H: -1.696 – 11.253		 600 128.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 220
sparky, xeasy		 203
sparky, xeasy		 92.27
7 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×512×639C: -7.026 – 72.865
HC: -1.478 – 11.004
H: -1.493 – 11.003		 600 646.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 2237
sparky, xeasy		 1676
sparky, xeasy		 74.92
8 HNCA
ucsf, pipe, .3D.16, .3D.param		 256×128×512N: 101.384 – 135.250
C: 42.612 – 72.381
HN: 4.773 – 11.431		 600 64.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 169
sparky, xeasy		 164
sparky, xeasy		 97.04
9 HNcaCO
ucsf, pipe, .3D.16, .3D.param		 256×128×1024N: 101.384 – 135.250
C: 163.066 – 187.873
HN: 4.768 – 11.432		 600 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 169
sparky, xeasy		 164
sparky, xeasy		 97.04
10 HNcoCA
ucsf, pipe, .3D.16, .3D.param		 256×128×1024N: 101.410 – 135.277
C: 42.612 – 72.381
HN: 4.767 – 11.431		 600 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 84
sparky, xeasy		 82
sparky, xeasy		 97.62
11 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 1024×1024N: 101.334 – 135.302
H: 4.773 – 11.437		 600 4.00 N–H: spectrum, spectrum with peaks 165
sparky, xeasy		 107
sparky, xeasy		 64.85
12 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 128×1024×256N: 101.651 – 135.386
HN: 4.763 – 11.407
H: -1.858 – 11.390		 800 128.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 2051
sparky, xeasy		 1442
sparky, xeasy		 70.31

1PQX (91 residues, PDB, BMRB, 2003)

Reference:
Baran, M.C., Aramini, J.M., Xiao, R., Huang, Y.J., Acton, T.B., Shih, L., Montelione, G.T.. Solution Strucutre of the Hypothetical Staphylococcus Aureus protein SAV1430. Northest Strucutral Genomics Consortium target ZR18. (To be published).

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 488×2048C: -3.257 – 76.145
H: -1.873 – 11.459		 600 3.98 C–H: spectrum, spectrum with peaks 402
sparky, xeasy		 381
sparky, xeasy		 94.78
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param		 512×2048C: 106.536 – 146.241
H: -1.883 – 11.449		 600 4.00 C–H: spectrum, spectrum with peaks 45
sparky, xeasy		 31
sparky, xeasy		 68.89
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×654×512C: -3.471 – 76.378
HC: -1.483 – 7.009
H: -1.861 – 11.451		 600 660.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 8071
sparky, xeasy		 7613
sparky, xeasy		 94.33
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 256×512×512C: 2.349 – 48.579
HC: 4.787 – 11.432
H: -1.869 – 11.443		 600 256.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 402
sparky, xeasy		 337
sparky, xeasy		 83.83
5 CcoNH
ucsf, pipe, .3D.16, .3D.param		 256×512×512N: 103.211 – 135.986
C: 5.764 – 89.142
HN: 4.783 – 11.428		 600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 295
sparky, xeasy		 285
sparky, xeasy		 96.61
6 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×512×1024C: -3.410 – 76.282
HC: -0.626 – 10.178
H: -1.884 – 11.420		 600 512.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 1440
sparky, xeasy		 1353
sparky, xeasy		 93.96
7 HCcoNH
ucsf, pipe, .3D.16, .3D.param		 256×512×512N: 103.250 – 136.025
H: -0.624 – 10.192
HN: 4.787 – 11.432		 600 256.00 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks		 421
sparky, xeasy		 401
sparky, xeasy		 95.25
8 HNCA
ucsf, pipe, .3D.16, .3D.param		 256×512×1024N: 103.250 – 136.025
C: 39.230 – 75.625
HN: -1.872 – 11.432		 600 512.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 175
sparky, xeasy		 164
sparky, xeasy		 93.71
9 HNCO
ucsf, pipe, .3D.16, .3D.param		 256×512×2048N: 103.250 – 136.025
C: 167.144 – 183.685
HN: -1.878 – 11.432		 600 1024.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 99
sparky, xeasy		 82
sparky, xeasy		 82.83
10 HNcoCA
ucsf, pipe, .3D.16, .3D.param		 256×512×512N: 103.250 – 136.025
C: 39.208 – 75.603
HN: 4.787 – 11.432		 600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 87
sparky, xeasy		 82
sparky, xeasy		 94.25
11 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 2048×1024N: 99.948 – 136.124
H: -2.262 – 11.896		 600 8.00 N–H: spectrum, spectrum with peaks 121
sparky, xeasy		 95
sparky, xeasy		 78.51
12 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 256×512×512N: 103.211 – 135.986
HN: 4.787 – 11.432
H: -1.869 – 11.443		 600 256.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 2418
sparky, xeasy		 2091
sparky, xeasy		 86.48

2L33 (91 residues, PDB, BMRB, 2010)

Reference:
Liu, G., Janjua, H., Xiao, R., Acton, T.B., Everett, J., Montelione, G.T. Northeast Structural Genomics Consortium Target HR4527E. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×2048C: 6.592 – 76.452
H: -2.212 – 11.729		 800 4.00 C–H: spectrum, spectrum with peaks 411
sparky, xeasy		 378
sparky, xeasy		 91.97
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param		 1024×1024C: 112.648 – 142.618
H: -2.194 – 11.740		 800 4.00 C–H: spectrum, spectrum with peaks 41
sparky, xeasy		 26
sparky, xeasy		 63.41
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×524×512C: 19.992 – 89.446
HC: -0.831 – 6.293
H: -2.203 – 11.770		 800 136.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 5612
sparky, xeasy		 5183
sparky, xeasy		 92.36
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 64×124×512C: 113.069 – 142.600
HC: 5.981 – 7.656
H: -1.704 – 11.271		 800 16.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 311
sparky, xeasy		 236
sparky, xeasy		 75.88
5 CBCANH
ucsf, pipe, .3D.16, .3D.param		 64×128×512N: 104.608 – 130.526
C: 13.740 – 83.199
HN: 4.766 – 10.758		 600 16.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 334
sparky, xeasy		 283
sparky, xeasy		 84.73
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 64×128×512N: 102.266 – 133.043
C: 13.800 – 83.259
HN: 4.766 – 10.758		 600 16.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 190
sparky, xeasy		 166
sparky, xeasy		 87.37
7 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 64×128×1024C1: 29.784 – 53.409
C2: 4.590 – 79.004
H1: -2.192 – 11.741		 800 32.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks		 1477
sparky, xeasy		 1401
sparky, xeasy		 94.85
8 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 64×512×256N: 102.487 – 133.002
HN: 4.780 – 11.740
H: 0.291 – 6.267		 800 32.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 236
sparky, xeasy		 199
sparky, xeasy		 84.32
9 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 512×1024N: 102.067 – 133.006
H: 4.774 – 11.741		 800 2.00 N–H: spectrum, spectrum with peaks 135
sparky, xeasy		 88
sparky, xeasy		 65.19
10 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 128×253×376N: 102.003 – 132.941
HN: 6.292 – 9.724
H: -0.262 – 9.992		 800 48.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 1750
sparky, xeasy		 1340
sparky, xeasy		 76.57

2KZV (92 residues, PDB, BMRB, 2010)

Reference:
Yang, Y., Ramelot, T.A., Wang, D., Ciccosanti, C., Mao, L., Janjua, H., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Kennedy, M.A. Solution NMR structure of CV_0373(175-257) protein from Chromobacterium violaceum, Northeast Structural Genomics Consortium Target CvR118A. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 449×449C: 10.003 – 80.003
H: -0.496 – 6.497		 850 0.97 C–H: spectrum, spectrum with peaks 404
sparky, xeasy		 398
sparky, xeasy		 98.51
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param		 256×274C: 112.117 – 142.000
H: 5.498 – 9.498		 850 0.33 C–H: spectrum, spectrum with peaks 51
sparky, xeasy		 27
sparky, xeasy		 52.94
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×429×256C: 13.180 – 78.923
HC: -0.999 – 6.496
H: -1.173 – 10.780		 850 110.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 6584
sparky, xeasy		 6184
sparky, xeasy		 93.92
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 256×229×256C: 111.416 – 141.301
HC: 6.006 – 9.998
H: -1.173 – 10.780		 850 59.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 558
sparky, xeasy		 370
sparky, xeasy		 66.31
5 CBCANH
ucsf, pipe, .3D.16, .3D.param		 128×128×286N: 105.323 – 128.838
C: 16.486 – 76.017
HN: 5.500 – 10.505		 600 18.06 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 338
sparky, xeasy		 332
sparky, xeasy		 98.22
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 128×128×286N: 105.323 – 128.838
C: 16.486 – 76.017
HN: 5.495 – 10.500		 600 18.06 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 192
sparky, xeasy		 190
sparky, xeasy		 98.96
7 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×256×428C1: 8.454 – 78.188
C2: 8.458 – 78.184
H1: -1.003 – 6.496		 600 110.50 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks		 1391
sparky, xeasy		 1366
sparky, xeasy		 98.20
8 CCNOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 64×64×1024×128C1: 13.617 – 33.987
C2: 13.617 – 33.987
H1: -3.685 – 9.638
H2: -0.474 – 6.469		 600 2048.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C1–H2: projection, projection with peaks
C2–H1: projection, projection with peaks
H2–C2: projection, projection with peaks
H2–H1: projection, projection with peaks		 3164
sparky, xeasy		 3114
sparky, xeasy		 98.42
9 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×256×286N: 105.323 – 128.838
C: 11.434 – 77.176
HN: 5.992 – 10.997		 600 36.13 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 290
sparky, xeasy		 285
sparky, xeasy		 98.28
10 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 128×286×128N: 105.323 – 128.838
HN: 5.495 – 10.500
H: 0.561 – 6.514		 600 18.06 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 241
sparky, xeasy		 238
sparky, xeasy		 98.76
11 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×256×400C: 13.298 – 83.023
HC: -0.189 – 5.788
H: -0.506 – 6.501		 600 100.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 1492
sparky, xeasy		 1462
sparky, xeasy		 97.99
12 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×256×400C: 13.294 – 83.028
HC: -0.189 – 5.788
H: -0.501 – 6.506		 600 100.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 2120
sparky, xeasy		 2084
sparky, xeasy		 98.30
13 HNCA
ucsf, pipe, .3D.16, .3D.param		 128×128×286N: 105.323 – 128.838
C: 41.241 – 71.007
HN: 5.505 – 10.511		 600 18.06 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 175
sparky, xeasy		 172
sparky, xeasy		 98.29
14 HNCO
ucsf, pipe, .3D.16, .3D.param		 128×64×286N: 105.323 – 128.838
C: 168.250 – 183.910
HN: 5.500 – 10.505		 600 9.84 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 99
sparky, xeasy		 85
sparky, xeasy		 85.86
15 HNcoCA
ucsf, pipe, .3D.16, .3D.param		 128×128×286N: 105.323 – 128.838
C: 41.241 – 71.007
HN: 5.500 – 10.505		 600 18.06 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 87
sparky, xeasy		 86
sparky, xeasy		 98.85
16 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 1024×287N: 105.270 – 128.947
H: 5.498 – 10.506		 850 1.23 N–H: spectrum, spectrum with peaks 149
sparky, xeasy		 106
sparky, xeasy		 71.14
17 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 256×287×512N: 105.354 – 128.961
HN: 5.498 – 10.506
H: -1.197 – 10.780		 850 144.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 2336
sparky, xeasy		 1893
sparky, xeasy		 81.04

2KCT (94 residues, PDB, BMRB, 2008)

Reference:
Aramini, J.M., Rossi, P., Lee, H., Lemak, A., Wang, H., Foote, E.L., Jiang, M., Xiao, R., Nair, R., Swapna, G.V.T., Acton, T.B., Rost, B., Everett, J.K., Montelione, G.T. Solution nmr structure of the ob-fold domain of heme chaperone ccme from desulfovibrio vulgaris. northeast structural genomics target dvr115g. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 1024×2048C: 6.840 – 76.771
H: -2.160 – 11.781		 800 8.00 C–H: spectrum, spectrum with peaks 410
sparky, xeasy		 386
sparky, xeasy		 94.15
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param		 1024×2048C: 112.782 – 142.753
H: -1.855 – 11.490		 600 8.00 C–H: spectrum, spectrum with peaks 43
sparky, xeasy		 29
sparky, xeasy		 67.44
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×552×440C: 19.908 – 89.771
HC: -1.002 – 6.503
H: -1.010 – 10.994		 800 484.30 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 7325
sparky, xeasy		 7052
sparky, xeasy		 96.27
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 256×512×512C: 112.818 – 142.701
HC: 4.814 – 11.774
H: -1.179 – 10.797		 800 256.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 629
sparky, xeasy		 611
sparky, xeasy		 97.14
5 CBCANH
ucsf, pipe, .3D.16, .3D.param		 256×512×512N: 103.199 – 132.702
C: 8.685 – 88.540
HN: 4.804 – 11.461		 600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 332
sparky, xeasy		 302
sparky, xeasy		 90.96
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 256×512×512N: 103.218 – 132.721
C: 8.733 – 88.588
HN: 4.802 – 11.460		 600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 173
sparky, xeasy		 159
sparky, xeasy		 91.91
7 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×256×551C1: 31.846 – 55.752
C2: 9.108 – 78.834
H1: -1.012 – 6.496		 600 140.25 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks		 1465
sparky, xeasy		 1413
sparky, xeasy		 96.45
8 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×512×512N: 103.199 – 132.702
C: 12.246 – 85.050
HN: 4.802 – 11.459		 600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 278
sparky, xeasy		 262
sparky, xeasy		 94.24
9 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 256×512×512N: 103.199 – 132.702
HN: 4.802 – 11.459
H: -0.208 – 9.778		 600 256.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 229
sparky, xeasy		 208
sparky, xeasy		 90.83
10 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×512×550C: 31.846 – 55.752
HC: -0.063 – 6.424
H: -1.003 – 6.492		 600 280.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 1478
sparky, xeasy		 1402
sparky, xeasy		 94.86
11 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×512×1024C: 31.846 – 55.752
HC: -0.063 – 6.424
H: -2.181 – 11.784		 600 512.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 2170
sparky, xeasy		 2090
sparky, xeasy		 96.31
12 HNcaCO
ucsf, pipe, .3D.16, .3D.param		 256×256×512N: 101.608 – 134.390
C: 164.372 – 188.812
HN: 4.802 – 11.459		 600 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 175
sparky, xeasy		 159
sparky, xeasy		 90.86
13 HNcoCA
ucsf, pipe, .3D.16, .3D.param		 256×512×512N: 103.233 – 132.737
C: 42.698 – 74.466
HN: 4.802 – 11.459		 600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 87
sparky, xeasy		 80
sparky, xeasy		 91.95
14 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 1024×1024N: 103.159 – 133.130
H: 4.815 – 11.782		 800 4.00 N–H: spectrum, spectrum with peaks 127
sparky, xeasy		 89
sparky, xeasy		 70.08
15 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 256×512×440N: 104.336 – 135.045
HN: 4.824 – 11.784
H: -1.010 – 10.994		 800 221.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 2114
sparky, xeasy		 1817
sparky, xeasy		 85.95

ADAR1 (94 residues)

Reference:
Not available

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×960C: 11.092 – 44.357
H: -1.201 – 6.276		 900 1.88 C–H: spectrum, spectrum with peaks 429
sparky, xeasy		 283
sparky, xeasy		 65.97
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×832×512C: 11.161 – 44.331
HC: -0.887 – 6.410
H: -0.574 – 10.006		 900 416.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 6511
sparky, xeasy		 4201
sparky, xeasy		 64.52
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 256×320×512C: 113.080 – 134.994
HC: 6.202 – 8.386
H: -0.578 – 10.001		 600 160.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 679
sparky, xeasy		 145
sparky, xeasy		 21.35
4 CBCANH
ucsf, pipe, .3D.16, .3D.param		 128×256×1024N: 104.380 – 133.153
C: 12.702 – 74.460
HN: 4.734 – 11.728		 500 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 333
sparky, xeasy		 294
sparky, xeasy		 88.29
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 256×256×640N: 104.465 – 127.375
C: 13.260 – 73.025
HN: 5.994 – 10.993		 600 160.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 198
sparky, xeasy		 175
sparky, xeasy		 88.38
6 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×256×1216C1: 10.287 – 72.045
C2: 10.316 – 72.074
H1: -0.935 – 6.479		 600 304.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks		 1548
sparky, xeasy		 997
sparky, xeasy		 64.41
7 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×512×1216C: 10.251 – 72.009
HC: -0.588 – 9.991
H: -1.229 – 6.494		 600 608.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 2399
sparky, xeasy		 1265
sparky, xeasy		 52.73
8 HNCA
ucsf, pipe, .3D.16, .3D.param		 256×256×608N: 104.459 – 127.369
C: 39.603 – 68.490
HN: 5.979 – 10.728		 600 152.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 175
sparky, xeasy		 155
sparky, xeasy		 88.57
9 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 1024×928N: 104.097 – 133.069
H: 4.743 – 11.995		 600 3.63 N–H: spectrum, spectrum with peaks 147
sparky, xeasy		 94
sparky, xeasy		 63.95
10 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 256×672×512N: 104.386 – 127.296
HN: 5.423 – 10.991
H: -0.581 – 9.998		 900 336.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 2084
sparky, xeasy		 1362
sparky, xeasy		 65.36

2FB7 (95 residues, PDB, BMRB, 2005)

Reference:
Tyler, R.C., Song, J., Markley, J.L.. NMR Solution Structure of protein from Zebra Fish Dr.13312. (To be published).

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 215×860×338C: 10.032 – 76.918
HC: -0.494 – 6.503
H: -0.994 – 9.986		 600 247.65 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 3766
sparky, xeasy		 2876
sparky, xeasy		 76.37
2 CBCANH
ucsf, pipe, .3D.16, .3D.param		 128×256×1024N: 103.490 – 135.502
C: 8.960 – 88.658
HN: 4.782 – 13.115		 600 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 332
sparky, xeasy		 295
sparky, xeasy		 88.86
3 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 128×256×1024N: 103.502 – 135.514
C: 9.272 – 88.970
HN: 4.782 – 13.115		 600 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 169
sparky, xeasy		 148
sparky, xeasy		 87.57
4 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×256×2048C1: -1.722 – 77.966
C2: -1.769 – 77.920
H1: -3.556 – 13.118		 600 512.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks		 1557
sparky, xeasy		 1263
sparky, xeasy		 81.12
5 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×256×1024N: 103.505 – 135.517
C: 9.293 – 88.981
HN: 4.783 – 13.116		 600 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 271
sparky, xeasy		 243
sparky, xeasy		 89.67
6 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 128×1024×256N: 103.505 – 135.517
HN: 4.779 – 13.112
H: -1.849 – 11.444		 600 128.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 227
sparky, xeasy		 200
sparky, xeasy		 88.11
7 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 216×256×860C: 9.743 – 76.932
HC: -1.031 – 10.601
H: -0.509 – 6.488		 600 186.47 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 2318
sparky, xeasy		 1695
sparky, xeasy		 73.12
8 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×256×1024N: 103.505 – 135.517
H: -3.509 – 13.107
HN: 4.780 – 13.113		 600 128.00 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks		 387
sparky, xeasy		 321
sparky, xeasy		 82.95
9 HNCO
ucsf, pipe, .3D.16, .3D.param		 128×128×1024N: 103.486 – 135.498
C: 167.992 – 182.109
HN: 4.774 – 13.107		 600 64.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 88
sparky, xeasy		 72
sparky, xeasy		 81.82
10 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 256×1024N: 103.378 – 135.516
H: 4.782 – 13.115		 600 1.00 N–H: spectrum, spectrum with peaks 130
sparky, xeasy		 77
sparky, xeasy		 59.23
11 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 116×431×423N: 105.002 – 133.989
HN: 6.502 – 10.005
H: -0.496 – 10.504		 600 88.69 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 1302
sparky, xeasy		 919
sparky, xeasy		 70.58

2MB0 (95 residues, PDB, BMRB, 2013)

Reference:
Moursy, A., Allain, F.H., Clery, A. (2014). Characterization of the RNA recognition mode of hnRNP G extends its role in SMN2 splicing regulation. Nucleic Acids Res 42: 6659-6672

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 932×877C: 10.410 – 74.050
H: -0.626 – 6.203		 900 3.28 C–H: spectrum, spectrum with peaks 427
sparky, xeasy		 403
sparky, xeasy		 94.38
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×962×436C: 8.755 – 73.501
HC: -0.982 – 6.510
H: -0.369 – 10.656		 900 448.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 7159
sparky, xeasy		 6614
sparky, xeasy		 92.39
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 64×290×325C: 117.345 – 139.001
HC: 5.848 – 8.097
H: -0.325 – 9.800		 700 26.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 610
sparky, xeasy		 353
sparky, xeasy		 57.87
4 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×511×259N: 100.907 – 130.790
C: 5.292 – 70.968
HN: 6.579 – 10.616		 500 144.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 297
sparky, xeasy		 280
sparky, xeasy		 94.28
5 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×295×297N: 100.907 – 130.790
H: -0.515 – 6.385
HN: 6.283 – 10.915		 500 95.00 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks		 437
sparky, xeasy		 427
sparky, xeasy		 97.71
6 HNCA
ucsf, pipe, .3D.16, .3D.param		 256×106×509N: 100.919 – 130.802
C: 41.247 – 67.505
HN: 6.671 – 10.645		 500 56.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 183
sparky, xeasy		 160
sparky, xeasy		 87.43
7 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 1001×591N: 101.127 – 130.424
H: 6.166 – 10.766		 900 2.50 N–H: spectrum, spectrum with peaks 147
sparky, xeasy		 102
sparky, xeasy		 69.39
8 N15NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×618×358N: 101.036 – 130.802
HN: 6.228 – 11.038
H: -0.374 – 10.801		 900 115.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 2300
sparky, xeasy		 1883
sparky, xeasy		 81.87

2L05 (95 residues, PDB, BMRB, 2010)

Reference:
Aramini, J.M., Janjua, H., Ciccosanti, C., Shastry, R., Huang, Y.J., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T. Solution NMR Structure of the Ras-binding domain of Serine/threonine-protein kinase B-raf from Homo sapiens, Northeast Structural Genomics Consortium Target HR4694F. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC
ucsf, pipe, .3D.16, .3D.param		 1024×2048C: 6.847 – 76.779
H: -2.150 – 11.790		 800 8.00 C–H: spectrum, spectrum with peaks 488
sparky, xeasy		 439
sparky, xeasy		 89.96
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×588×512C: 29.809 – 53.762
HC: -1.496 – 6.500
H: -1.166 – 10.811		 800 594.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 8757
sparky, xeasy		 8416
sparky, xeasy		 96.11
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 512×512×512C: 112.820 – 142.761
HC: 4.826 – 11.786
H: -1.164 – 10.812		 800 512.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 323
sparky, xeasy		 303
sparky, xeasy		 93.81
4 CBCANH
ucsf, pipe, .3D.16, .3D.param		 256×512×512N: 100.809 – 135.672
C: 4.324 – 79.193
HN: 4.822 – 11.797		 600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 334
sparky, xeasy		 292
sparky, xeasy		 87.43
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 256×512×512N: 100.768 – 135.631
C: 4.419 – 79.273
HN: 4.822 – 11.797		 600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 186
sparky, xeasy		 165
sparky, xeasy		 88.71
6 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×512×587C1: 31.823 – 55.776
C2: 6.466 – 81.320
H1: -1.503 – 6.497		 600 594.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks		 1666
sparky, xeasy		 1597
sparky, xeasy		 95.86
7 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×512×587C: 31.865 – 55.818
HC: -0.428 – 6.558
H: -1.507 – 6.493		 600 594.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 1703
sparky, xeasy		 1602
sparky, xeasy		 94.07
8 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×512×587C: 31.823 – 55.776
HC: -0.428 – 6.558
H: -1.499 – 6.501		 600 594.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 2507
sparky, xeasy		 2402
sparky, xeasy		 95.81
9 HNCA
ucsf, pipe, .3D.16, .3D.param		 256×512×512N: 100.809 – 135.672
C: 40.710 – 72.710
HN: 4.826 – 11.802		 600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 173
sparky, xeasy		 151
sparky, xeasy		 87.28
10 HNCO
ucsf, pipe, .3D.16, .3D.param		 256×256×512N: 100.850 – 135.713
C: 167.791 – 189.790
HN: 4.822 – 11.797		 600 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 96
sparky, xeasy		 83
sparky, xeasy		 86.46
11 HNcaCO
ucsf, pipe, .3D.16, .3D.param		 256×256×512N: 100.809 – 135.672
C: 167.843 – 189.842
HN: 4.826 – 11.802		 600 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 173
sparky, xeasy		 146
sparky, xeasy		 84.39
12 HNcoCA
ucsf, pipe, .3D.16, .3D.param		 256×512×512N: 100.809 – 135.672
C: 40.774 – 72.722
HN: 4.822 – 11.797		 600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 86
sparky, xeasy		 75
sparky, xeasy		 87.21
13 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 256×512×512N: 105.211 – 132.106
HN: 4.823 – 11.783
H: -1.168 – 10.809		 800 256.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 2484
sparky, xeasy		 2074
sparky, xeasy		 83.49

2KJR (95 residues, PDB, BMRB, 2009)

Reference:
Ramelot, T.A., Cort, J.R., Shastry, R., Ciccosanti, C., Jiang, M., Nair, R., Rost, B., Swapna, G., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Kennedy, M.A. Solution NMR structure of the N-terminal Ubiquitin-like Domain from Tubulin-binding Cofactor B, CG11242, from Drosophila melanogaster. Northeast Structural Genomics Consortium Target FR629A (residues 8-92). To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 449×411C: 10.019 – 80.019
H: -0.006 – 6.002		 850 0.88 C–H: spectrum, spectrum with peaks 381
sparky, xeasy		 347
sparky, xeasy		 91.08
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×390×256C: 8.073 – 77.800
HC: -0.506 – 6.306
H: -0.955 – 10.600		 850 102.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 8021
sparky, xeasy		 7539
sparky, xeasy		 93.99
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 64×201×256C: 116.190 – 140.800
HC: 5.500 – 9.003
H: -0.955 – 10.600		 850 14.06 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 440
sparky, xeasy		 341
sparky, xeasy		 77.50
4 CBCANH
ucsf, pipe, .3D.16, .3D.param		 64×128×462N: 103.500 – 135.000
C: 11.547 – 81.000
HN: 5.990 – 10.493		 500 16.03 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 362
sparky, xeasy		 319
sparky, xeasy		 88.12
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 128×128×462N: 103.250 – 135.000
C: 11.547 – 81.000
HN: 5.990 – 10.493		 500 29.75 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 216
sparky, xeasy		 195
sparky, xeasy		 90.28
6 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×256×385C1: 8.177 – 78.041
C2: 8.274 – 78.000
H1: -1.014 – 6.488		 500 198.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks		 1291
sparky, xeasy		 1223
sparky, xeasy		 94.73
7 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×128×330N: 103.088 – 134.962
C: 9.086 – 83.500
HN: 5.987 – 10.486		 500 42.50 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 312
sparky, xeasy		 288
sparky, xeasy		 92.31
8 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×128×487C: 8.136 – 78.000
HC: -0.702 – 6.244
H: -2.022 – 7.473		 500 127.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 1867
sparky, xeasy		 1761
sparky, xeasy		 94.32
9 HNCA
ucsf, pipe, .3D.16, .3D.param		 128×64×462N: 103.250 – 135.000
C: 41.328 – 70.859
HN: 6.007 – 10.510		 500 16.03 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 189
sparky, xeasy		 166
sparky, xeasy		 87.83
10 HNCO
ucsf, pipe, .3D.16, .3D.param		 128×64×232N: 103.250 – 135.000
C: 166.294 – 181.955
HN: 5.992 – 10.505		 500 7.25 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 112
sparky, xeasy		 100
sparky, xeasy		 89.29
11 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 256×257N: 103.236 – 135.114
H: 6.008 – 10.491		 850 0.31 N–H: spectrum, spectrum with peaks 135
sparky, xeasy		 102
sparky, xeasy		 75.56
12 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 128×257×256N: 103.325 – 135.075
HN: 6.008 – 10.491
H: -0.955 – 10.600		 850 34.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 2541
sparky, xeasy		 2134
sparky, xeasy		 83.98

2M5O (97 residues, PDB, BMRB, 2013)

Reference:
Liu, G., Xiao, R., Janjua, H., Hamilton, K., Shastry, R., Kohan, E., Acton, T.B., Everett, J.K., Pederson, K., Huang, Y.J., Montelione, G.T. Solution NMR Structure CTD domain of NFU1 Iron-Sulfur Cluster Scaffold Homolog from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR2876C. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×464×412C: 20.049 – 89.502
HC: -0.524 – 5.782
H: -0.797 – 10.441		 800 97.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 6304
sparky, xeasy		 5931
sparky, xeasy		 94.08
2 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 64×144×256C: 113.245 – 142.776
HC: 6.020 – 7.968
H: -1.641 – 11.308		 800 12.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 291
sparky, xeasy		 225
sparky, xeasy		 77.32
3 CBCANH
ucsf, pipe, .3D.16, .3D.param		 128×256×512N: 102.755 – 133.513
C: 4.273 – 78.980
HN: 4.815 – 11.775		 800 64.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 354
sparky, xeasy		 310
sparky, xeasy		 87.57
4 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 64×256×512N: 103.118 – 133.634
C: 4.420 – 79.127
HN: 4.815 – 11.775		 800 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 208
sparky, xeasy		 187
sparky, xeasy		 89.90
5 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×128×1024C1: 29.680 – 53.492
C2: 4.566 – 78.980
H1: -2.159 – 11.775		 800 64.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks		 1419
sparky, xeasy		 1358
sparky, xeasy		 95.70
6 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 128×512×256N: 103.369 – 133.134
HN: 4.823 – 11.783
H: -0.413 – 6.559		 800 64.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 249
sparky, xeasy		 217
sparky, xeasy		 87.15
7 HNCO
ucsf, pipe, .3D.16, .3D.param		 64×128×512N: 103.118 – 133.634
C: 167.860 – 189.688
HN: 4.815 – 11.775		 800 16.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 109
sparky, xeasy		 81
sparky, xeasy		 74.31
8 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 256×1024N: 106.087 – 129.993
H: 4.798 – 11.765		 800 1.00 N–H: spectrum, spectrum with peaks 131
sparky, xeasy		 99
sparky, xeasy		 75.57
9 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 128×304×422N: 102.752 – 133.510
HN: 6.284 – 10.411
H: -0.524 – 10.983		 800 67.50 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 1932
sparky, xeasy		 1613
sparky, xeasy		 83.49

HDM2 (97 residues)

Reference:
Not available

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13NOESY
ucsf, pipe, .3D.16, .3D.param		 64×880×405C: -1.192 – 28.339
HC: -0.809 – 5.321
H: -0.527 – 9.719		 700 91.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 5710
sparky, xeasy		 4211
sparky, xeasy		 73.75
2 CBCANH
ucsf, pipe, .3D.16, .3D.param		 64×256×647N: 100.376 – 131.207
C: 10.349 – 74.643
HN: 5.978 – 10.484		 700 42.50 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 357
sparky, xeasy		 352
sparky, xeasy		 98.60
3 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×203×741C: 4.374 – 78.821
HC: -0.635 – 5.679
H: -0.355 – 5.404		 700 79.63 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 2622
sparky, xeasy		 1915
sparky, xeasy		 73.04
4 HNCA
ucsf, pipe, .3D.16, .3D.param		 128×256×646N: 100.350 – 131.426
C: 46.198 – 74.487
HN: 5.986 – 10.485		 700 85.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 183
sparky, xeasy		 180
sparky, xeasy		 98.36
5 HNcoCA
ucsf, pipe, .3D.16, .3D.param		 128×97×534N: 100.346 – 131.421
C: 43.011 – 69.632
HN: 6.286 – 10.003		 700 28.44 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 91
sparky, xeasy		 90
sparky, xeasy		 98.90
6 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 64×651×424N: 97.739 – 136.277
HN: 5.685 – 10.218
H: -0.808 – 9.920		 700 74.25 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 1796
sparky, xeasy		 1416
sparky, xeasy		 78.84
7 N15TOCSY
ucsf, pipe, .3D.16, .3D.param		 64×575×512N: 101.509 – 132.340
HN: 5.738 – 9.741
H: -2.501 – 11.754		 700 74.38 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 610
sparky, xeasy		 438
sparky, xeasy		 71.80

2LNA (99 residues, PDB, BMRB, 2011)

Reference:
Ramelot, T.A., Yang, Y., Sahu, I.D., Lee, H.W., Xiao, R., Lorigan, G.A., Montelione, G.T., Kennedy, M.A. (2013). NMR structure and MD simulations of the AAA protease intermembrane space domain indicates peripheral membrane localization within the hexaoligomer. FEBS Lett 587: 3522-3528

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 1024×417C: 3.285 – 88.256
H: -0.486 – 6.007		 850 1.83 C–H: spectrum, spectrum with peaks 425
sparky, xeasy		 397
sparky, xeasy		 93.41
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param		 256×342C: 110.029 – 139.916
H: 5.004 – 10.001		 850 0.42 C–H: spectrum, spectrum with peaks 61
sparky, xeasy		 46
sparky, xeasy		 75.41
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×476×256C: 11.996 – 77.718
HC: -0.487 – 6.009
H: -2.167 – 11.782		 850 123.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 8127
sparky, xeasy		 7620
sparky, xeasy		 93.76
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 64×293×512C: 111.189 – 140.716
HC: 5.006 – 9.005
H: -1.402 – 10.972		 600 38.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 1032
sparky, xeasy		 893
sparky, xeasy		 86.53
5 CBCANH
ucsf, pipe, .3D.16, .3D.param		 256×256×285N: 104.098 – 133.981
C: 13.654 – 78.400
HN: 5.989 – 10.988		 600 72.25 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 365
sparky, xeasy		 329
sparky, xeasy		 90.14
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 256×128×285N: 104.098 – 133.981
C: 13.984 – 78.476
HN: 5.989 – 10.988		 600 36.13 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 218
sparky, xeasy		 201
sparky, xeasy		 92.20
7 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×256×427C1: -4.712 – 74.972
C2: -4.621 – 75.069
H1: -1.014 – 6.484		 600 110.50 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks		 1454
sparky, xeasy		 1395
sparky, xeasy		 95.94
8 CCNOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 32×32×1024×128C1: 13.940 – 33.987
C2: 13.940 – 33.987
H1: -3.685 – 9.638
H2: -0.474 – 6.469		 600 512.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C1–H2: projection, projection with peaks
C2–H1: projection, projection with peaks
H2–C2: projection, projection with peaks
H2–H1: projection, projection with peaks		 3591
sparky, xeasy		 3475
sparky, xeasy		 96.77
9 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×256×286N: 104.213 – 133.979
C: 11.246 – 80.973
HN: 5.992 – 10.997		 600 36.13 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 327
sparky, xeasy		 309
sparky, xeasy		 94.50
10 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 128×286×256N: 104.221 – 133.988
HN: 5.992 – 10.997
H: 0.390 – 6.367		 600 36.13 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 256
sparky, xeasy		 230
sparky, xeasy		 89.84
11 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×256×512C: 3.001 – 72.702
HC: -0.410 – 6.563
H: -0.972 – 6.028		 600 128.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 1519
sparky, xeasy		 1433
sparky, xeasy		 94.34
12 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×256×383C: 0.067 – 69.938
HC: -0.689 – 6.284
H: -0.506 – 6.203		 600 192.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 2145
sparky, xeasy		 2055
sparky, xeasy		 95.80
13 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×256×286N: 104.213 – 133.979
H: -0.506 – 6.467
HN: 5.992 – 10.997		 600 36.13 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks		 477
sparky, xeasy		 449
sparky, xeasy		 94.13
14 HNCO
ucsf, pipe, .3D.16, .3D.param		 128×64×286N: 104.216 – 133.981
C: 167.227 – 180.930
HN: 6.002 – 11.008		 600 9.84 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 113
sparky, xeasy		 104
sparky, xeasy		 92.04
15 HNcoCA
ucsf, pipe, .3D.16, .3D.param		 128×64×285N: 104.215 – 133.981
C: 41.445 – 70.976
HN: 6.005 – 11.003		 600 9.84 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 95
sparky, xeasy		 86
sparky, xeasy		 90.53
16 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 256×285N: 104.154 – 134.036
H: 6.011 – 11.012		 600 0.35 N–H: spectrum, spectrum with peaks 163
sparky, xeasy		 110
sparky, xeasy		 67.48
17 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 128×440×512N: 104.306 – 134.073
HN: 5.007 – 11.011
H: -0.793 – 10.388		 850 114.75 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 2814
sparky, xeasy		 2277
sparky, xeasy		 80.92

2LA6 (99 residues, PDB, BMRB, 2011)

Reference:
Liu, G., Xiao, R., Janjua, H., Lee, H., Ciccosanti, C.T., Acton, T.B., Everett, J.K., Huang, Y.J., Montelione, G.T. Northeast Structural Genomics Consortium Target HR6430A. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×524×512C: 20.048 – 89.497
HC: -0.799 – 6.325
H: -2.178 – 11.789		 800 136.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 6228
sparky, xeasy		 5805
sparky, xeasy		 93.21
2 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 64×264×256C: 113.242 – 142.773
HC: 4.656 – 8.238
H: -1.643 – 11.306		 800 20.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 660
sparky, xeasy		 589
sparky, xeasy		 89.24
3 CBCANH
ucsf, pipe, .3D.16, .3D.param		 64×128×512N: 103.501 – 132.659
C: 13.790 – 83.250
HN: 4.804 – 11.462		 600 16.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 360
sparky, xeasy		 304
sparky, xeasy		 84.44
4 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 64×128×512N: 103.501 – 132.659
C: 13.790 – 83.250
HN: 4.804 – 11.462		 600 16.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 215
sparky, xeasy		 188
sparky, xeasy		 87.44
5 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×256×1024C1: 25.422 – 49.237
C2: 1.183 – 73.851
H1: -1.880 – 11.449		 600 128.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks		 1437
sparky, xeasy		 1371
sparky, xeasy		 95.41
6 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 64×128×512N: 103.501 – 132.659
C: 9.350 – 88.312
HN: 4.804 – 11.462		 600 16.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 315
sparky, xeasy		 287
sparky, xeasy		 91.11
7 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 64×512×128N: 103.501 – 132.659
HN: 4.804 – 11.462
H: -0.134 – 9.794		 600 16.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 247
sparky, xeasy		 206
sparky, xeasy		 83.40
8 HNCO
ucsf, pipe, .3D.16, .3D.param		 64×64×512N: 103.501 – 132.659
C: 168.068 – 185.039
HN: 4.804 – 11.462		 600 8.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 112
sparky, xeasy		 80
sparky, xeasy		 71.43
9 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 512×1024N: 103.038 – 132.601
H: 4.797 – 11.462		 600 2.00 N–H: spectrum, spectrum with peaks 135
sparky, xeasy		 99
sparky, xeasy		 73.33
10 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 128×324×512N: 102.752 – 133.510
HN: 6.011 – 10.411
H: -2.178 – 11.789		 800 88.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 1916
sparky, xeasy		 1572
sparky, xeasy		 82.05

6FIP (99 residues, PDB, BMRB, 2018)

Reference:
Oeemig, J.S., Ollila, O.H.S., Iwai, H. (2018). NMR structure of the C-terminal domain of TonB protein fromPseudomonas aeruginosa. PeerJ 6: e5412-e5412

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×1075C: 3.320 – 83.222
H: -1.003 – 5.998		 600 2.23 C–H: spectrum, spectrum with peaks 480
sparky, xeasy		 475
sparky, xeasy		 98.96
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×1323×1024C: 3.816 – 83.188
HC: -0.502 – 6.499
H: -2.315 – 11.855		 600 676.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 5788
sparky, xeasy		 5460
sparky, xeasy		 94.33
3 CBCANH
ucsf, pipe, .3D.16, .3D.param		 128×256×746N: 102.735 – 137.008
C: 9.400 – 83.109
HN: 5.994 – 10.996		 800 97.75 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 358
sparky, xeasy		 352
sparky, xeasy		 98.32
4 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 128×256×746N: 102.741 – 137.014
C: 9.394 – 83.103
HN: 6.001 – 11.003		 800 97.75 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 198
sparky, xeasy		 196
sparky, xeasy		 98.99
5 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×256×746N: 102.768 – 137.042
C: 6.386 – 86.072
HN: 6.003 – 11.006		 800 97.75 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 322
sparky, xeasy		 320
sparky, xeasy		 99.38
6 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 128×746×256N: 102.735 – 137.008
HN: 6.000 – 11.003
H: -2.377 – 11.945		 800 97.75 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 247
sparky, xeasy		 244
sparky, xeasy		 98.79
7 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×172×1323C: -4.184 – 75.190
HC: -0.198 – 6.482
H: -0.504 – 6.497		 600 122.52 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 1848
sparky, xeasy		 1827
sparky, xeasy		 98.86
8 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×166×1323C: -4.580 – 74.794
HC: -0.491 – 6.500
H: -0.504 – 6.497		 600 115.71 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 2694
sparky, xeasy		 2653
sparky, xeasy		 98.48
9 HNCO
ucsf, pipe, .3D.16, .3D.param		 128×128×746N: 102.741 – 137.014
C: 167.177 – 183.744
HN: 6.000 – 11.003		 800 48.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 102
gateio, xeasy		 90
sparky, xeasy		 88.24
10 HNcaCO
ucsf, pipe, .3D.16, .3D.param		 128×128×746N: 102.741 – 137.014
C: 165.169 – 183.767
HN: 6.000 – 11.003		 800 48.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 185
sparky, xeasy		 180
sparky, xeasy		 97.30
11 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 1024×1024N: 102.489 – 136.999
H: 4.764 – 11.634		 800 4.00 N–H: spectrum, spectrum with peaks 177
sparky, xeasy		 107
sparky, xeasy		 60.45
12 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 256×1024×856N: 102.600 – 137.008
HN: 4.768 – 11.637
H: -0.504 – 11.501		 800 858.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 2102
sparky, xeasy		 1537
sparky, xeasy		 73.12
13 N15TOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×746×256N: 102.708 – 136.982
HN: 5.993 – 10.996
H: -2.376 – 11.947		 800 97.75 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 720
sparky, xeasy		 503
sparky, xeasy		 69.86

2LEA (100 residues, PDB, BMRB, 2011)

Reference:
Daubner, G.M., Clery, A., Jayne, S., Stevenin, J., Allain, F.H. (2012). A syn-anti conformational difference allows SRSF2 to recognize guanines and cytosines equally well. EMBO J 31: 162-174

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 1024×2048C: 8.905 – 69.846
H: -3.363 – 12.588		 900 8.00 C–H: spectrum, spectrum with peaks 444
sparky, xeasy		 353
sparky, xeasy		 79.50
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param		 404×369C: 115.998 – 139.611
H: 6.083 – 8.962		 600 0.61 C–H: spectrum, spectrum with peaks 50
sparky, xeasy		 25
sparky, xeasy		 50.00
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×895×318C: 13.788 – 45.663
HC: -0.505 – 6.461
H: -0.118 – 9.806		 900 280.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 7272
sparky, xeasy		 5811
sparky, xeasy		 79.91
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 64×395×475C: 116.169 – 134.872
HC: 6.033 – 9.104
H: 0.095 – 9.353		 900 52.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 686
sparky, xeasy		 329
sparky, xeasy		 47.96
5 CBCANH
ucsf, pipe, .3D.16, .3D.param		 128×256×1024N: 106.177 – 130.982
C: 9.135 – 70.916
HN: 4.661 – 12.664		 500 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 354
sparky, xeasy		 295
sparky, xeasy		 83.33
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 128×128×1024N: 103.760 – 133.525
C: 9.395 – 70.898
HN: 4.664 – 12.667		 600 64.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 184
sparky, xeasy		 154
sparky, xeasy		 83.70
7 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×300×1140C: 13.406 – 45.281
HC: -0.160 – 6.263
H: -0.090 – 6.008		 750 342.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 2340
sparky, xeasy		 1727
sparky, xeasy		 73.80
8 HNCA
ucsf, pipe, .3D.16, .3D.param		 256×256×1024N: 97.611 – 132.475
C: 38.990 – 70.862
HN: 4.666 – 12.668		 500 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 185
sparky, xeasy		 144
sparky, xeasy		 77.84
9 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 512×1024N: 97.968 – 132.899
H: 4.658 – 10.647		 900 2.00 N–H: spectrum, spectrum with peaks 174
sparky, xeasy		 98
sparky, xeasy		 56.32
10 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 128×1024×512N: 105.900 – 131.103
HN: 4.667 – 11.686
H: -0.669 – 10.010		 900 256.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 2475
sparky, xeasy		 1794
sparky, xeasy		 72.48

2LL8 (101 residues, PDB, BMRB, 2011)

Reference:
Ramelot, T.A., Rossi, P., Forouhar, F., Lee, H.W., Yang, Y., Ni, S., Unser, S., Lew, S., Seetharaman, J., Xiao, R., Acton, T.B., Everett, J.K., Prestegard, J.H., Hunt, J.F., Montelione, G.T., Kennedy, M.A. (2012). Structure of a specialized acyl carrier protein essential for lipid A biosynthesis with very long-chain fatty acids in open and closed conformations. Biochemistry 51: 7239-7249

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 449×478C: 9.964 – 79.934
H: -0.997 – 5.992		 850 1.02 C–H: spectrum, spectrum with peaks 431
sparky, xeasy		 413
sparky, xeasy		 95.82
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param		 256×342C: 109.128 – 140.997
H: 4.983 – 9.980		 850 0.42 C–H: spectrum, spectrum with peaks 48
sparky, xeasy		 36
sparky, xeasy		 75.00
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×478×256C: 10.590 – 76.313
HC: -0.997 – 5.992
H: -1.175 – 10.782		 850 123.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 9932
sparky, xeasy		 9556
sparky, xeasy		 96.21
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 128×342×256C: 111.242 – 142.000
HC: 5.000 – 9.996
H: -1.173 – 10.780		 850 44.63 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 774
sparky, xeasy		 693
sparky, xeasy		 89.53
5 CBCANH
ucsf, pipe, .3D.16, .3D.param		 256×128×315N: 105.680 – 132.575
C: 14.026 – 78.518
HN: 5.997 – 11.512		 600 40.38 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 382
sparky, xeasy		 356
sparky, xeasy		 93.19
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 256×128×315N: 105.680 – 132.575
C: 14.026 – 78.518
HN: 5.997 – 11.512		 600 40.38 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 206
sparky, xeasy		 194
sparky, xeasy		 94.17
7 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×256×428C1: 4.632 – 70.503
C2: 4.761 – 70.503
H1: -1.024 – 6.475		 600 214.50 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks		 1555
sparky, xeasy		 1519
sparky, xeasy		 97.68
8 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×256×315N: 105.754 – 132.543
C: 13.232 – 78.974
HN: 5.997 – 11.512		 600 40.38 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 318
sparky, xeasy		 305
sparky, xeasy		 95.91
9 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 256×479×128N: 105.770 – 132.665
HN: 5.000 – 12.004
H: -0.412 – 6.534		 850 61.63 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 254
sparky, xeasy		 236
sparky, xeasy		 92.91
10 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×256×478C: 7.480 – 73.223
HC: -0.459 – 6.514
H: -1.006 – 5.983		 850 123.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 2219
sparky, xeasy		 2165
sparky, xeasy		 97.57
11 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×256×315N: 104.183 – 131.078
H: -0.681 – 6.292
HN: 6.002 – 11.517		 600 80.75 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks		 444
sparky, xeasy		 424
sparky, xeasy		 95.50
12 HNCO
ucsf, pipe, .3D.16, .3D.param		 128×64×286N: 105.754 – 132.543
C: 166.218 – 181.968
HN: 5.992 – 10.997		 600 9.84 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 105
sparky, xeasy		 97
sparky, xeasy		 92.38
13 HNcoCA
ucsf, pipe, .3D.16, .3D.param		 256×128×314N: 105.679 – 132.574
C: 41.241 – 71.007
HN: 6.018 – 11.515		 600 40.38 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 97
sparky, xeasy		 91
sparky, xeasy		 93.81
14 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 512×285N: 105.612 – 132.559
H: 6.000 – 11.000		 600 0.62 N–H: spectrum, spectrum with peaks 135
sparky, xeasy		 107
sparky, xeasy		 79.26
15 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 128×322×256N: 105.901 – 132.690
HN: 5.997 – 11.008
H: -1.173 – 10.780		 850 42.50 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 3045
sparky, xeasy		 2726
sparky, xeasy		 89.52

2KPN (103 residues, PDB, BMRB, 2009)

Reference:
Aramini, J.M., Wang, D., Ciccosanti, C.T., Janjua, H., Rost, B., Acton, T.B., Xiao, R., Swapna, G.V.T., Everett, J.K., Montelione, G.T. Solution NMR structure of a Bacterial Ig-like (Big_3) domain from Bacillus cereus. Northeast Structural Genomics Consortium target BcR147A. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 1024×2048C: 6.314 – 81.240
H: -2.210 – 11.762		 600 8.00 C–H: spectrum, spectrum with peaks 446
sparky, xeasy		 423
sparky, xeasy		 94.84
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×552×512C: 29.822 – 53.775
HC: -1.000 – 6.505
H: -1.171 – 10.805		 800 561.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 8649
sparky, xeasy		 8309
sparky, xeasy		 96.07
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 512×512×512C: 112.823 – 142.764
HC: 4.811 – 11.771
H: -1.179 – 10.797		 800 512.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 280
sparky, xeasy		 262
sparky, xeasy		 93.57
4 CBCANH
ucsf, pipe, .3D.16, .3D.param		 256×512×1024N: 105.296 – 132.191
C: 4.288 – 79.157
HN: -2.189 – 11.776		 600 512.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 378
sparky, xeasy		 344
sparky, xeasy		 91.01
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 256×512×1024N: 105.265 – 132.159
C: 4.384 – 79.237
HN: -2.189 – 11.776		 600 512.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 200
sparky, xeasy		 184
sparky, xeasy		 92.00
6 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×512×550C1: 31.787 – 55.740
C2: 6.387 – 81.240
H1: -1.004 – 6.490		 600 561.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks		 1605
sparky, xeasy		 1564
sparky, xeasy		 97.45
7 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 256×1024×512N: 105.265 – 132.159
HN: -2.189 – 11.776
H: -1.210 – 6.774		 600 512.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 252
sparky, xeasy		 227
sparky, xeasy		 90.08
8 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×512×550C: 31.783 – 55.736
HC: -1.206 – 6.779
H: -0.996 – 6.498		 600 561.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 1586
sparky, xeasy		 1523
sparky, xeasy		 96.03
9 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×512×550C: 31.801 – 55.755
HC: -1.215 – 6.769
H: -1.004 – 6.490		 600 561.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 2344
sparky, xeasy		 2281
sparky, xeasy		 97.31
10 HNCA
ucsf, pipe, .3D.16, .3D.param		 256×512×1024N: 105.265 – 132.159
C: 40.694 – 72.694
HN: -2.189 – 11.776		 600 512.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 197
sparky, xeasy		 178
sparky, xeasy		 90.36
11 HNCO
ucsf, pipe, .3D.16, .3D.param		 256×256×1024N: 105.265 – 132.159
C: 167.782 – 189.780
HN: -2.189 – 11.776		 600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 104
sparky, xeasy		 96
sparky, xeasy		 92.31
12 HNcaCO
ucsf, pipe, .3D.16, .3D.param		 256×256×1024N: 105.233 – 132.128
C: 167.808 – 189.806
HN: -2.189 – 11.776		 600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 197
sparky, xeasy		 180
sparky, xeasy		 91.37
13 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 2048×2048N: 101.154 – 136.137
H: -2.196 – 11.776		 600 16.00 N–H: spectrum, spectrum with peaks 128
sparky, xeasy		 97
sparky, xeasy		 75.78
14 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 256×1024×512N: 105.228 – 132.122
HN: -2.162 – 11.771
H: -1.179 – 10.798		 800 512.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 2368
sparky, xeasy		 2094
sparky, xeasy		 88.43

2K0M (104 residues, PDB, BMRB, 2008)

Reference:
Rossi, P., Xiao, R., Acton, T.B., Montelione, G.T. Solution NMR structure of the uncharacterized protein from Rhodospirillum rubrum gene locus Rru_A0810. Northeast Structural Genomics Target RrR43. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×2048C: 5.886 – 85.758
H: -5.221 – 14.797		 800 4.00 C–H: spectrum, spectrum with peaks 451
sparky, xeasy		 426
sparky, xeasy		 94.46
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×768×214C: 33.968 – 57.778
HC: -0.915 – 6.585
H: -1.438 – 11.044		 800 82.88 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 5550
sparky, xeasy		 5084
sparky, xeasy		 91.60
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 128×359×214C: 112.995 – 142.768
HC: 5.574 – 9.075
H: -1.450 – 11.033		 800 40.36 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 617
sparky, xeasy		 539
sparky, xeasy		 87.36
4 CBCANH
ucsf, pipe, .3D.16, .3D.param		 64×256×512N: 104.614 – 131.188
C: 4.416 – 79.195
HN: 4.799 – 11.759		 800 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 385
sparky, xeasy		 327
sparky, xeasy		 84.94
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 64×256×512N: 104.488 – 131.062
C: 4.555 – 79.222
HN: 4.799 – 11.759		 800 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 208
sparky, xeasy		 180
sparky, xeasy		 86.54
6 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×256×551C1: 29.964 – 53.773
C2: 4.555 – 79.222
H1: -1.412 – 6.079		 800 72.25 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks		 1568
sparky, xeasy		 1511
sparky, xeasy		 96.36
7 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 128×512×256N: 105.841 – 132.626
HN: 4.795 – 11.755
H: 1.054 – 6.035		 800 64.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 264
sparky, xeasy		 223
sparky, xeasy		 84.47
8 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 64×128×551C: 34.100 – 57.722
HC: 0.334 – 6.287
H: -1.412 – 6.079		 800 18.06 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 1653
sparky, xeasy		 1566
sparky, xeasy		 94.74
9 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×128×551C: 29.964 – 53.773
HC: 0.334 – 6.287
H: -1.416 – 6.075		 800 36.13 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 2371
sparky, xeasy		 2274
sparky, xeasy		 95.91
10 HNCA
ucsf, pipe, .3D.16, .3D.param		 64×128×512N: 104.614 – 131.188
C: 42.007 – 71.765
HN: 4.795 – 11.755		 800 16.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 199
sparky, xeasy		 170
sparky, xeasy		 85.43
11 HNCO
ucsf, pipe, .3D.16, .3D.param		 64×128×512N: 104.614 – 131.188
C: 168.970 – 188.810
HN: 4.795 – 11.755		 800 16.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 107
sparky, xeasy		 82
sparky, xeasy		 76.64
12 HNcaCO
ucsf, pipe, .3D.16, .3D.param		 64×128×512N: 105.089 – 130.688
C: 168.970 – 188.810
HN: 4.795 – 11.755		 800 16.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 199
sparky, xeasy		 164
sparky, xeasy		 82.41
13 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 256×614N: 100.234 – 135.101
H: 5.007 – 11.001		 800 0.67 N–H: spectrum, spectrum with peaks 164
sparky, xeasy		 94
sparky, xeasy		 57.32
14 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 128×1024×256N: 104.337 – 131.128
HN: 4.795 – 14.799
H: -2.669 – 12.275		 800 128.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 2012
sparky, xeasy		 1406
sparky, xeasy		 69.88

2K5V (104 residues, PDB, BMRB, 2008)

Reference:
Aramini, J.M., Maglaqui, M., Jiang, M., Ciccosanti, C., Xiao, R., Nair, R., Everett, J.K., Swapna, G.VT., Acton, T.B., Montelione, G.T. SOLUTION NMR STRUCTURE OF the second OB-fold domain of replication protein A from Methanococcus maripaludis. NORTHEAST STRUCTURAL GENOMICS TARGET MrR110B. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC
ucsf, pipe, .3D.16, .3D.param		 1024×2048C: 4.300 – 79.227
H: -2.181 – 11.791		 600 8.00 C–H: spectrum, spectrum with peaks 512
sparky, xeasy		 482
sparky, xeasy		 94.14
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×551×440C: 20.022 – 89.885
HC: -1.001 – 6.490
H: -0.992 – 11.012		 800 484.30 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 9121
sparky, xeasy		 8898
sparky, xeasy		 97.56
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 256×512×512C: 112.856 – 142.738
HC: 4.820 – 11.780
H: -0.672 – 10.306		 800 256.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 471
sparky, xeasy		 453
sparky, xeasy		 96.18
4 CBCANH
ucsf, pipe, .3D.16, .3D.param		 256×512×512N: 103.292 – 133.175
C: 4.304 – 79.158
HN: 4.816 – 11.792		 600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 386
sparky, xeasy		 360
sparky, xeasy		 93.26
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 256×512×512N: 103.257 – 133.139
C: 4.392 – 79.246
HN: 4.829 – 11.805		 600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 220
sparky, xeasy		 208
sparky, xeasy		 94.55
6 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×512×550C1: 31.796 – 55.749
C2: 6.439 – 81.293
H1: -0.998 – 6.497		 600 561.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks		 1690
sparky, xeasy		 1654
sparky, xeasy		 97.87
7 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 256×512×512N: 103.143 – 133.026
HN: 4.828 – 11.803
H: 0.324 – 6.312		 600 256.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 270
sparky, xeasy		 252
sparky, xeasy		 93.33
8 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×512×551C: 31.814 – 55.721
HC: -0.059 – 6.428
H: -1.003 – 6.506		 600 280.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 1696
sparky, xeasy		 1642
sparky, xeasy		 96.82
9 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×512×551C: 31.796 – 55.749
HC: -0.063 – 6.424
H: -1.003 – 6.506		 600 561.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 2524
sparky, xeasy		 2470
sparky, xeasy		 97.86
10 HNCA
ucsf, pipe, .3D.16, .3D.param		 256×512×512N: 103.292 – 133.175
C: 40.752 – 72.690
HN: 4.818 – 11.794		 600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 203
sparky, xeasy		 190
sparky, xeasy		 93.60
11 HNCO
ucsf, pipe, .3D.16, .3D.param		 256×512×512N: 103.257 – 133.139
C: 167.773 – 189.815
HN: 4.845 – 11.821		 600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 115
sparky, xeasy		 109
sparky, xeasy		 94.78
12 HNcaCO
ucsf, pipe, .3D.16, .3D.param		 256×512×512N: 103.292 – 133.175
C: 167.734 – 189.776
HN: 4.820 – 11.796		 600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 203
sparky, xeasy		 190
sparky, xeasy		 93.60
13 HNcoCA
ucsf, pipe, .3D.16, .3D.param		 256×512×512N: 103.292 – 133.175
C: 40.827 – 72.765
HN: 4.828 – 11.804		 600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 101
sparky, xeasy		 95
sparky, xeasy		 94.06
14 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 1024×1024N: 103.160 – 133.131
H: 4.811 – 11.794		 600 4.00 N–H: spectrum, spectrum with peaks 144
sparky, xeasy		 112
sparky, xeasy		 77.78
15 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 256×512×440N: 104.347 – 135.055
HN: 4.826 – 11.786
H: -1.008 – 10.996		 800 221.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 2643
sparky, xeasy		 2385
sparky, xeasy		 90.24

2MQL (105 residues, PDB, BMRB, 2014)

Reference:
Blatter, M., Dunin-Horkawicz, S., Grishina, I., Maris, C., Thore, S., Maier, T., Bindereif, A., Bujnicki, J.M., Allain, F.H. (2015). The Signature of the Five-Stranded vRRM Fold Defined by Functional, Structural and Computational Analysis of the hnRNP L Protein. J Mol Biol 427: 3001-3022

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 1024×2560C: 10.559 – 75.495
H: -0.298 – 5.944		 900 10.00 C–H: spectrum, spectrum with peaks 435
sparky, xeasy		 404
sparky, xeasy		 92.87
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param		 1024×1280C: 116.028 – 139.006
H: 5.419 – 9.172		 750 5.00 C–H: spectrum, spectrum with peaks 41
sparky, xeasy		 25
sparky, xeasy		 60.98
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×2463×473C: 11.629 – 47.986
HC: -0.137 – 5.869
H: -0.203 – 9.938		 900 1170.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 6439
sparky, xeasy		 5907
sparky, xeasy		 91.74
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 128×509×480C: 115.171 – 135.014
HC: 6.108 – 8.842
H: -0.244 – 10.047		 900 120.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 521
sparky, xeasy		 309
sparky, xeasy		 59.31
5 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×248×1477N: 104.677 – 127.089
C: 9.198 – 68.054
HN: 6.052 – 10.002		 750 372.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 338
sparky, xeasy		 307
sparky, xeasy		 90.83
6 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×281×353N: 104.677 – 127.089
H: -0.216 – 5.800
HN: 6.098 – 9.867		 750 108.00 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks		 481
sparky, xeasy		 429
sparky, xeasy		 89.19
7 HNCA
ucsf, pipe, .3D.16, .3D.param		 256×128×1024N: 100.307 – 132.979
C: 43.204 – 69.001
HN: 4.723 – 10.215		 500 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 195
sparky, xeasy		 185
sparky, xeasy		 94.87
8 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 949×1525N: 100.432 – 133.760
H: 5.926 – 10.027		 900 5.63 N–H: spectrum, spectrum with peaks 145
sparky, xeasy		 110
sparky, xeasy		 75.86
9 N15NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×1453×441N: 106.665 – 127.501
HN: 5.915 – 10.160
H: -0.253 – 10.059		 900 322.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 2012
sparky, xeasy		 1701
sparky, xeasy		 84.54

2K75 (106 residues, PDB, BMRB, 2008)

Reference:
Ramelot, T.A., Ding, K., Lee, D., Jiang, M., Ciccosanti, C., Xiao, R., Nair, R., Everett, J.K., Swapna, G., Acton, T.B., Rost, B., Montelione, G.T., Kennedy, M.A. Solution NMR structure of the OB domain of Ta0387 from Thermoplasma acidophilum. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 1024×308C: 3.119 – 83.041
H: -0.022 – 5.976		 600 1.34 C–H: spectrum, spectrum with peaks 453
sparky, xeasy		 453
sparky, xeasy		 100.00
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param		 256×206C: 112.603 – 137.506
H: 5.991 – 9.996		 600 0.25 C–H: spectrum, spectrum with peaks 44
sparky, xeasy		 30
sparky, xeasy		 68.18
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×479×256C: 6.994 – 84.656
HC: -1.004 – 6.000
H: -1.284 – 10.922		 850 123.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 5514
sparky, xeasy		 5300
sparky, xeasy		 96.12
4 CBCANH
ucsf, pipe, .3D.16, .3D.param		 128×128×309N: 102.248 – 132.014
C: 14.023 – 78.515
HN: 4.994 – 11.006		 600 20.19 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 400
sparky, xeasy		 398
sparky, xeasy		 99.50
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 128×128×309N: 102.251 – 132.016
C: 13.962 – 78.454
HN: 4.994 – 11.006		 600 20.19 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 231
sparky, xeasy		 231
sparky, xeasy		 100.00
6 CCNOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 64×64×1024×128C1: 13.578 – 33.948
C2: 13.581 – 33.951
H1: -3.674 – 9.649
H2: -0.463 – 6.479		 600 2048.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C1–H2: projection, projection with peaks
C2–H1: projection, projection with peaks
H2–C2: projection, projection with peaks
H2–H1: projection, projection with peaks		 4019
sparky, xeasy		 4019
sparky, xeasy		 100.00
7 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×128×258N: 102.251 – 132.016
C: 16.445 – 75.977
HN: 5.989 – 11.006		 600 18.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 353
sparky, xeasy		 353
sparky, xeasy		 100.00
8 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 128×232×128N: 102.253 – 132.019
HN: 5.990 – 10.499
H: 0.063 – 6.016		 600 14.50 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 275
sparky, xeasy		 275
sparky, xeasy		 100.00
9 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×102×385C: 8.159 – 78.019
HC: -0.968 – 5.975
H: -0.993 – 6.502		 600 81.28 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 1597
sparky, xeasy		 1597
sparky, xeasy		 100.00
10 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×205×385C: 8.112 – 77.981
HC: -1.008 – 6.005
H: -0.999 – 6.497		 600 162.42 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 2309
sparky, xeasy		 2309
sparky, xeasy		 100.00
11 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×128×232N: 102.253 – 132.019
H: -0.673 – 6.273
HN: 5.988 – 10.497		 600 14.50 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks		 505
sparky, xeasy		 505
sparky, xeasy		 100.00
12 HNCA
ucsf, pipe, .3D.16, .3D.param		 128×128×309N: 102.250 – 132.017
C: 41.131 – 70.897
HN: 4.995 – 11.007		 600 20.19 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 207
sparky, xeasy		 206
sparky, xeasy		 99.52
13 HNCO
ucsf, pipe, .3D.16, .3D.param		 128×64×309N: 102.250 – 132.017
C: 165.763 – 182.497
HN: 4.995 – 11.008		 600 10.69 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 119
sparky, xeasy		 116
sparky, xeasy		 97.48
14 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 256×308N: 102.183 – 132.137
H: 6.001 – 10.500		 850 0.30 N–H: spectrum, spectrum with peaks 163
sparky, xeasy		 125
sparky, xeasy		 76.69
15 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 128×376×256N: 102.297 – 132.133
HN: 5.006 – 10.500
H: -1.034 – 10.683		 850 48.88 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 1951
sparky, xeasy		 1639
sparky, xeasy		 84.01

2LTM (107 residues, PDB, BMRB, 2012)

Reference:
Liu, G., Xiao, R., Janjua, H., Hamilton, K., Shastry, R., Kohan, E., Acton, T.B., Everett, J.K., Lee, H., Huang, Y.J., Montelione, G.T. Solution NMR Structure of NFU1 Iron-Sulfur Cluster Scaffold Homolog from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR2876B. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×2048C: 6.654 – 76.517
H: -2.165 – 11.776		 800 4.00 C–H: spectrum, spectrum with peaks 478
sparky, xeasy		 446
sparky, xeasy		 93.31
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param		 128×1024C: 112.786 – 142.551
H: 4.812 – 11.779		 800 0.50 C–H: spectrum, spectrum with peaks 68
sparky, xeasy		 54
sparky, xeasy		 79.41
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×604×472C: 20.048 – 89.501
HC: -1.615 – 6.599
H: -1.618 – 11.261		 800 142.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 6710
sparky, xeasy		 6259
sparky, xeasy		 93.28
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 64×224×256C: 113.243 – 142.775
HC: 5.332 – 8.369
H: -1.642 – 11.308		 800 16.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 754
sparky, xeasy		 686
sparky, xeasy		 90.98
5 CBCANH
ucsf, pipe, .3D.16, .3D.param		 64×256×512N: 103.117 – 133.633
C: 4.272 – 78.979
HN: 4.808 – 11.768		 800 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 377
sparky, xeasy		 321
sparky, xeasy		 85.15
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 64×256×512N: 103.117 – 133.633
C: 4.418 – 79.126
HN: 4.808 – 11.768		 800 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 216
sparky, xeasy		 189
sparky, xeasy		 87.50
7 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 64×128×1024C1: 29.958 – 53.583
C2: 4.563 – 78.977
H1: -2.154 – 11.780		 800 32.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks		 1680
sparky, xeasy		 1614
sparky, xeasy		 96.07
8 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 64×512×256N: 103.367 – 132.898
HN: 4.814 – 11.775
H: -0.429 – 6.544		 800 32.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 261
sparky, xeasy		 220
sparky, xeasy		 84.29
9 HNCO
ucsf, pipe, .3D.16, .3D.param		 64×64×512N: 103.117 – 133.633
C: 167.944 – 189.601
HN: 4.808 – 11.768		 800 8.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 110
sparky, xeasy		 81
sparky, xeasy		 73.64
10 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 512×1024N: 102.572 – 133.512
H: 4.808 – 11.775		 800 2.00 N–H: spectrum, spectrum with peaks 144
sparky, xeasy		 97
sparky, xeasy		 67.36
11 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 128×374×512N: 102.752 – 133.510
HN: 6.011 – 11.092
H: -2.164 – 11.803		 800 96.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 1940
sparky, xeasy		 1502
sparky, xeasy		 77.42

2KOB (108 residues, PDB, BMRB, 2009)

Reference:
Ramelot, T.A., Lee, D., Ciccosanti, C., Jiang, M., Nair, R., Rost, B., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Kennedy, M.A. Solution NMR structure of CLOLEP_01837 (fragment 61-160) from Clostridium leptum. Northeast Structural Genomics Consortium Target QlR8A. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×515C: 5.926 – 85.736
H: -1.986 – 7.014		 850 1.13 C–H: spectrum, spectrum with peaks 490
sparky, xeasy		 462
sparky, xeasy		 94.29
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×344×256C: 8.692 – 71.407
HC: -0.517 – 5.490
H: -2.164 – 11.786		 850 89.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 9994
sparky, xeasy		 9268
sparky, xeasy		 92.74
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 64×228×256C: 114.438 – 142.000
HC: 5.008 – 8.995
H: -2.165 – 11.780		 600 15.75 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 865
sparky, xeasy		 678
sparky, xeasy		 78.38
4 CBCANH
ucsf, pipe, .3D.16, .3D.param		 256×128×314N: 106.010 – 129.915
C: 14.008 – 78.500
HN: 5.029 – 10.526		 600 40.38 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 410
sparky, xeasy		 392
sparky, xeasy		 95.61
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 256×128×314N: 106.010 – 129.915
C: 14.008 – 78.500
HN: 5.029 – 10.526		 600 40.38 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 248
sparky, xeasy		 239
sparky, xeasy		 96.37
6 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×256×371C1: 8.694 – 71.576
C2: 8.746 – 71.500
H1: -0.485 – 6.013		 600 187.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks		 1801
sparky, xeasy		 1694
sparky, xeasy		 94.06
7 CCNOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 64×64×1024×128C1: 13.617 – 33.987
C2: 13.617 – 33.987
H1: -3.685 – 9.638
H2: -0.474 – 6.469		 600 2048.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C1–H2: projection, projection with peaks
C2–H1: projection, projection with peaks
H2–C2: projection, projection with peaks
H2–H1: projection, projection with peaks		 4420
sparky, xeasy		 4220
sparky, xeasy		 95.48
8 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 128×314×256N: 106.131 – 129.944
HN: 5.029 – 10.526
H: -0.175 – 5.802		 600 40.38 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 282
sparky, xeasy		 267
sparky, xeasy		 94.68
9 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×344×256C: 6.881 – 76.774
HC: -0.517 – 5.490
H: -0.432 – 6.543		 850 175.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 1814
sparky, xeasy		 1688
sparky, xeasy		 93.05
10 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×256×344C: 6.881 – 76.774
HC: -0.432 – 6.543
H: -0.517 – 5.490		 850 175.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 1814
sparky, xeasy		 1688
sparky, xeasy		 93.05
11 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×122×343C: 8.744 – 71.503
HC: -0.175 – 5.497
H: -0.485 – 5.521		 600 43.93 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 2682
sparky, xeasy		 2498
sparky, xeasy		 93.14
12 HNCA
ucsf, pipe, .3D.16, .3D.param		 128×64×286N: 106.131 – 129.944
C: 41.469 – 71.000
HN: 6.013 – 11.018		 600 9.84 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 207
sparky, xeasy		 199
sparky, xeasy		 96.14
13 HNCO
ucsf, pipe, .3D.16, .3D.param		 256×64×342N: 106.009 – 129.916
C: 166.294 – 181.955
HN: 5.029 – 11.018		 600 22.31 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 125
sparky, xeasy		 120
sparky, xeasy		 96.00
14 HNcoCA
ucsf, pipe, .3D.16, .3D.param		 128×64×342N: 106.131 – 129.944
C: 41.469 – 71.000
HN: 5.029 – 11.018		 600 11.81 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 103
sparky, xeasy		 99
sparky, xeasy		 96.12
15 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 256×400N: 104.116 – 134.001
H: 5.029 – 12.016		 850 0.39 N–H: spectrum, spectrum with peaks 173
sparky, xeasy		 124
sparky, xeasy		 71.68
16 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 128×400×256N: 106.188 – 130.000
HN: 5.029 – 12.016
H: -1.654 – 11.295		 850 50.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 3382
sparky, xeasy		 2803
sparky, xeasy		 82.88

2KHD (108 residues, PDB, BMRB, 2009)

Reference:
Ramelot, T.A., Cort, J.R., Wang, H., Ciccosanti, C., Jiang, M., Liu, J., Rost, B., Swapna, G.V.T., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Kennedy, M.A. Solution NMR structure of VC_A0919 from Vibrio cholerae. Northeast Structural Genomics Consortium Target VcR52. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×615C: 5.816 – 85.659
H: -1.999 – 6.998		 850 1.34 C–H: spectrum, spectrum with peaks 448
sparky, xeasy		 425
sparky, xeasy		 94.87
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param		 256×240C: 112.915 – 142.802
H: 5.503 – 9.005		 850 0.23 C–H: spectrum, spectrum with peaks 53
sparky, xeasy		 31
sparky, xeasy		 58.49
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×479×256C: 10.710 – 79.236
HC: -0.998 – 6.006
H: -0.409 – 10.050		 850 123.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 6998
sparky, xeasy		 6503
sparky, xeasy		 92.93
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 128×254×256C: 116.972 – 138.800
HC: 5.298 – 9.005
H: -0.409 – 10.050		 850 31.88 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 716
sparky, xeasy		 554
sparky, xeasy		 77.37
5 CBCANH
ucsf, pipe, .3D.16, .3D.param		 256×128×376N: 104.204 – 133.110
C: 10.281 – 79.556
HN: 5.503 – 10.998		 850 48.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 414
sparky, xeasy		 377
sparky, xeasy		 91.06
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 256×128×376N: 104.204 – 133.110
C: 10.935 – 80.210
HN: 5.503 – 10.998		 850 48.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 230
sparky, xeasy		 205
sparky, xeasy		 89.13
7 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×256×385C1: 3.314 – 82.998
C2: 3.312 – 83.001
H1: -0.998 – 6.498		 600 102.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks		 1538
sparky, xeasy		 1484
sparky, xeasy		 96.49
8 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×128×257N: 106.162 – 135.057
C: 13.999 – 78.509
HN: 5.983 – 10.995		 600 34.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 343
sparky, xeasy		 315
sparky, xeasy		 91.84
9 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 256×258×128N: 104.113 – 133.000
HN: 5.991 – 11.008
H: 0.066 – 6.019		 600 34.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 282
sparky, xeasy		 256
sparky, xeasy		 90.78
10 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×113×460C: 31.038 – 54.944
HC: -1.032 – 5.969
H: -1.007 – 6.482		 600 55.32 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 1582
sparky, xeasy		 1503
sparky, xeasy		 95.01
11 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×225×460C: 30.978 – 54.885
HC: -1.031 – 5.969
H: -1.012 – 6.477		 600 110.63 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 2234
sparky, xeasy		 2139
sparky, xeasy		 95.75
12 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×128×206N: 104.113 – 133.000
H: -0.450 – 6.495
HN: 5.991 – 9.992		 600 27.00 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks		 486
sparky, xeasy		 440
sparky, xeasy		 90.53
13 HNCA
ucsf, pipe, .3D.16, .3D.param		 256×128×206N: 104.113 – 133.000
C: 41.164 – 70.930
HN: 5.986 – 9.991		 600 27.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 213
sparky, xeasy		 194
sparky, xeasy		 91.08
14 HNCO
ucsf, pipe, .3D.16, .3D.param		 128×128×274N: 104.317 – 133.110
C: 166.822 – 183.698
HN: 6.006 – 10.006		 850 18.06 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 118
sparky, xeasy		 103
sparky, xeasy		 87.29
15 HNcoCA
ucsf, pipe, .3D.16, .3D.param		 256×128×206N: 104.113 – 133.000
C: 41.234 – 71.000
HN: 5.991 – 9.992		 600 27.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 106
sparky, xeasy		 97
sparky, xeasy		 91.51
16 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 256×301N: 104.147 – 133.035
H: 5.296 – 9.989		 749 0.37 N–H: spectrum, spectrum with peaks 153
sparky, xeasy		 106
sparky, xeasy		 69.28
17 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 128×329×256N: 104.317 – 133.110
HN: 5.196 – 10.002
H: -0.231 – 9.870		 850 42.50 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 2501
sparky, xeasy		 1995
sparky, xeasy		 79.77

2RN7 (108 residues, PDB, BMRB, 2007)

Reference:
Ramelot, T.A., Cort, J.R., Semesi, A., Garcia, M., Yee, A., Arrowsmith, C.H., Kennedy, M.A. NMR solution structure of TnpE protein from Shigella flexneri. Northeast Structural Genomics Target SfR125. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 481×660C: -0.047 – 74.953
H: -2.002 – 6.994		 749 1.52 C–H: spectrum, spectrum with peaks 501
sparky, xeasy		 397
sparky, xeasy		 79.24
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×416×256C: 31.021 – 54.929
HC: -0.992 – 5.499
H: -0.960 – 10.595		 749 104.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 6960
sparky, xeasy		 5433
sparky, xeasy		 78.06
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 128×257×256C: 110.164 – 139.929
HC: 4.985 – 8.989
H: -0.968 – 10.586		 749 34.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 359
sparky, xeasy		 191
sparky, xeasy		 53.20
4 CBCANH
ucsf, pipe, .3D.16, .3D.param		 256×128×246N: 101.239 – 134.893
C: 11.547 – 81.000
HN: 6.002 – 9.998		 600 31.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 402
sparky, xeasy		 320
sparky, xeasy		 79.60
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 256×128×246N: 101.239 – 134.893
C: 11.547 – 81.000
HN: 6.002 – 9.998		 600 31.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 232
sparky, xeasy		 192
sparky, xeasy		 82.76
6 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×256×461C1: 31.037 – 54.944
C2: 5.767 – 80.474
H1: -1.012 – 6.491		 600 119.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks		 1786
sparky, xeasy		 1384
sparky, xeasy		 77.49
7 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×128×369N: 101.239 – 134.893
C: 3.226 – 77.641
HN: 4.986 – 10.988		 600 48.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 365
sparky, xeasy		 304
sparky, xeasy		 83.29
8 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 256×430×128N: 101.239 – 134.893
HN: 4.991 – 11.988
H: -1.138 – 6.800		 600 55.25 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 280
sparky, xeasy		 222
sparky, xeasy		 79.29
9 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×241×576C: 31.009 – 54.916
HC: -1.012 – 6.487
H: -1.000 – 6.494		 749 137.81 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 1913
sparky, xeasy		 1453
sparky, xeasy		 75.95
10 HNCO
ucsf, pipe, .3D.16, .3D.param		 256×128×460N: 101.239 – 134.893
C: 167.463 – 180.641
HN: 4.502 – 11.988		 600 59.50 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 119
sparky, xeasy		 83
sparky, xeasy		 69.75
11 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 256×614N: 101.239 – 134.893
H: 5.999 – 10.998		 600 0.67 N–H: spectrum, spectrum with peaks 205
sparky, xeasy		 102
sparky, xeasy		 49.76
12 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 256×257×256N: 101.216 – 134.836
HN: 5.993 – 11.001
H: -0.861 – 10.505		 749 68.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 2862
sparky, xeasy		 1748
sparky, xeasy		 61.08

2LXU (108 residues, PDB, BMRB, 2012)

Reference:
Ramelot, T.A., Yang, Y., Pederson, K., Shastry, R., Kohan, E., Janjua, H., Xiao, R., Acton, T.B., Everett, J.K., Prestegard, J.H., Montelione, G.T., Kennedy, M.A. Solution NMR Structure of the eukaryotic RNA recognition motif, RRM1, from the heterogeneous nuclear ribonucleoprotein H from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR8614A. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 1024×410C: 5.801 – 85.688
H: 0.003 – 5.996		 850 1.79 C–H: spectrum, spectrum with peaks 465
sparky, xeasy		 458
sparky, xeasy		 98.49
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param		 512×257C: 113.773 – 143.718
H: 5.505 – 9.006		 850 0.63 C–H: spectrum, spectrum with peaks 54
sparky, xeasy		 47
sparky, xeasy		 87.04
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×513×256C: 11.998 – 76.716
HC: -0.003 – 5.999
H: -0.924 – 10.529		 850 136.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 8386
sparky, xeasy		 8040
sparky, xeasy		 95.87
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 128×206×256C: 113.419 – 139.217
HC: 5.999 – 8.402
H: -0.924 – 10.529		 850 27.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 596
sparky, xeasy		 533
sparky, xeasy		 89.43
5 CBCANH
ucsf, pipe, .3D.16, .3D.param		 128×128×257N: 106.155 – 127.983
C: 13.823 – 78.316
HN: 5.989 – 10.495		 600 18.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 394
sparky, xeasy		 381
sparky, xeasy		 96.70
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 128×128×257N: 106.150 – 127.978
C: 13.971 – 78.463
HN: 5.989 – 10.495		 600 18.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 229
sparky, xeasy		 224
sparky, xeasy		 97.82
7 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×256×427C1: 8.246 – 77.980
C2: 8.249 – 77.976
H1: -1.014 – 6.484		 600 110.50 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks		 1569
sparky, xeasy		 1556
sparky, xeasy		 99.17
8 CCNOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 64×64×1024×128C1: 13.617 – 33.987
C2: 13.617 – 33.987
H1: -3.705 – 9.618
H2: -0.494 – 6.449		 600 2048.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C1–H2: projection, projection with peaks
C2–H1: projection, projection with peaks
H2–C2: projection, projection with peaks
H2–H1: projection, projection with peaks		 3805
sparky, xeasy		 3778
sparky, xeasy		 99.29
9 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×128×257N: 106.073 – 127.987
C: 11.519 – 80.972
HN: 5.979 – 10.486		 600 34.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 338
sparky, xeasy		 333
sparky, xeasy		 98.52
10 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 128×258×128N: 106.158 – 127.986
HN: 5.981 – 10.495
H: -0.203 – 5.750		 600 18.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 278
sparky, xeasy		 270
sparky, xeasy		 97.12
11 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×128×541C: 8.088 – 77.822
HC: -0.705 – 6.240
H: -2.014 – 7.493		 600 70.13 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 2397
sparky, xeasy		 2378
sparky, xeasy		 99.21
12 HNCO
ucsf, pipe, .3D.16, .3D.param		 256×128×257N: 106.064 – 127.978
C: 169.107 – 182.918
HN: 5.989 – 10.496		 600 34.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 119
sparky, xeasy		 116
sparky, xeasy		 97.48
13 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 1024×330N: 106.094 – 128.073
H: 5.997 – 10.496		 850 1.44 N–H: spectrum, spectrum with peaks 167
sparky, xeasy		 121
sparky, xeasy		 72.46
14 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 128×385×512N: 106.244 – 128.073
HN: 5.999 – 10.500
H: -0.947 – 10.529		 850 102.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 2913
sparky, xeasy		 2412
sparky, xeasy		 82.80

2KIF (108 residues, PDB, BMRB, 2009)

Reference:
Aramini, J.M., Tubbs, J.L., Kanugula, S., Rossi, P., Ertekin, A., Maglaqui, M., Hamilton, K., Ciccosanti, C.T., Jiang, M., Xiao, R., Soong, T.T., Rost, B., Acton, T.B., Everett, J.K., Pegg, A.E., Tainer, J.A., Montelione, G.T. (2010). Structural basis of O6-alkylguanine recognition by a bacterial alkyltransferase-like DNA repair protein. J Biol Chem 285: 13736-13741

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 1024×2048C: 6.844 – 76.776
H: -2.153 – 11.788		 800 8.00 C–H: spectrum, spectrum with peaks 512
sparky, xeasy		 494
sparky, xeasy		 96.48
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×551×440C: 19.844 – 89.708
HC: -0.997 – 6.494
H: -0.513 – 11.491		 800 484.30 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 7492
sparky, xeasy		 7233
sparky, xeasy		 96.54
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 256×512×512C: 112.893 – 142.776
HC: 4.823 – 11.783
H: -1.167 – 10.809		 800 256.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 581
sparky, xeasy		 569
sparky, xeasy		 97.93
4 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 1024×2048N: 100.669 – 135.635
H: -2.154 – 11.787		 800 8.00 N–H: spectrum, spectrum with peaks 168
sparky, xeasy		 113
sparky, xeasy		 67.26
5 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 256×512×440N: 104.340 – 135.049
HN: 4.828 – 11.788
H: -0.490 – 11.514		 800 221.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 2209
sparky, xeasy		 1818
sparky, xeasy		 82.30

2KBN (109 residues, PDB, BMRB, 2008)

Reference:
Kennedy, M.A., Ramelot, T.A., Ding, K., Magliqui, M., Jiang, M., Ciccosanti, C., Xiao, R., Lui, J., Everett, J.K., Swapna, G., Acton, T.B., Rost, B., Montelione, G.T. NMR structure of the OB domain of mm0293 from the archea methanosarcina mazei. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 475×513C: 5.909 – 79.972
H: -1.007 – 6.495		 850 1.17 C–H: spectrum, spectrum with peaks 495
sparky, xeasy		 460
sparky, xeasy		 92.93
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param		 512×257C: 110.059 – 140.000
H: 4.995 – 9.997		 600 0.63 C–H: spectrum, spectrum with peaks 47
sparky, xeasy		 34
sparky, xeasy		 72.34
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×479×256C: 7.030 – 84.692
HC: -1.007 – 5.997
H: -1.289 – 10.917		 850 123.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 9177
sparky, xeasy		 8542
sparky, xeasy		 93.08
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 128×206×256C: 112.514 – 140.305
HC: 6.002 – 9.005
H: -1.401 – 11.050		 850 27.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 601
sparky, xeasy		 511
sparky, xeasy		 85.02
5 CBCANH
ucsf, pipe, .3D.16, .3D.param		 128×128×258N: 103.719 – 131.500
C: 14.008 – 78.500
HN: 5.991 – 11.007		 600 18.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 408
sparky, xeasy		 386
sparky, xeasy		 94.61
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 128×128×232N: 103.719 – 131.500
C: 14.008 – 78.500
HN: 5.991 – 10.500		 600 14.50 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 259
sparky, xeasy		 247
sparky, xeasy		 95.37
7 CCNOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 64×64×1024×128C1: 13.617 – 33.986
C2: 13.617 – 33.986
H1: -3.670 – 9.653
H2: -0.459 – 6.484		 600 2048.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C1–H2: projection, projection with peaks
C2–H1: projection, projection with peaks
H2–C2: projection, projection with peaks
H2–H1: projection, projection with peaks		 4177
sparky, xeasy		 3920
sparky, xeasy		 93.85
8 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×128×232N: 103.719 – 131.500
C: 13.656 – 73.188
HN: 5.985 – 10.494		 600 14.50 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 407
sparky, xeasy		 388
sparky, xeasy		 95.33
9 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 128×232×128N: 103.749 – 131.530
HN: 5.985 – 10.494
H: 0.066 – 6.019		 600 14.50 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 282
sparky, xeasy		 267
sparky, xeasy		 94.68
10 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×205×385C: 8.134 – 78.003
HC: -1.009 – 6.003
H: -0.998 – 6.498		 600 162.42 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 2609
sparky, xeasy		 2402
sparky, xeasy		 92.07
11 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×128×232N: 103.719 – 131.500
H: -0.669 – 6.277
HN: 5.985 – 10.494		 600 14.50 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks		 587
sparky, xeasy		 562
sparky, xeasy		 95.74
12 HNCA
ucsf, pipe, .3D.16, .3D.param		 128×64×258N: 103.719 – 131.500
C: 41.328 – 70.859
HN: 5.985 – 11.002		 600 9.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 211
sparky, xeasy		 200
sparky, xeasy		 94.79
13 HNCO
ucsf, pipe, .3D.16, .3D.param		 128×64×258N: 103.719 – 131.500
C: 165.766 – 182.500
HN: 5.991 – 11.007		 600 9.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 133
sparky, xeasy		 98
sparky, xeasy		 73.68
14 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 512×308N: 102.664 – 131.627
H: 6.002 – 10.500		 850 0.67 N–H: spectrum, spectrum with peaks 161
sparky, xeasy		 133
sparky, xeasy		 82.61
15 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 128×308×512N: 102.842 – 131.635
HN: 6.002 – 10.500
H: -1.303 – 10.927		 850 80.75 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 2940
sparky, xeasy		 2590
sparky, xeasy		 88.10

2MK2 (109 residues, PDB, BMRB, 2014)

Reference:
Yang, Y., Ramelot, T.A., Janjua, H., Xiao, R., Everett, J.K., Montelione, G.T., Kennedy, M.A. Solution NMR structure of N-terminal domain (SH2 domain) of human Inositol polyphosphate phosphatase-like protein 1 (INPPL1) (fragment 20-117), Northeast Structural Genomics Consortium Target HR9134A. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×440C: 3.439 – 88.327
H: -1.191 – 6.496		 850 0.86 C–H: spectrum, spectrum with peaks 449
sparky, xeasy		 415
sparky, xeasy		 92.43
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param		 256×274C: 110.150 – 140.037
H: 5.498 – 9.498		 850 0.33 C–H: spectrum, spectrum with peaks 61
sparky, xeasy		 31
sparky, xeasy		 50.82
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×458×256C: 13.268 – 78.990
HC: -1.009 – 6.993
H: -1.189 – 10.768		 850 119.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 7543
sparky, xeasy		 6967
sparky, xeasy		 92.36
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 256×274×256C: 111.315 – 141.202
HC: 5.498 – 9.498
H: -1.175 – 10.782		 850 72.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 634
sparky, xeasy		 363
sparky, xeasy		 57.26
5 CBCANH
ucsf, pipe, .3D.16, .3D.param		 128×128×342N: 101.250 – 133.000
C: 14.008 – 78.500
HN: 5.491 – 11.493		 600 22.31 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 400
sparky, xeasy		 364
sparky, xeasy		 91.00
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 128×128×370N: 101.250 – 133.000
C: 14.008 – 78.500
HN: 5.491 – 11.986		 600 24.44 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 227
sparky, xeasy		 210
sparky, xeasy		 92.51
7 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×256×370N: 101.250 – 133.000
C: 11.274 – 81.000
HN: 5.497 – 11.993		 600 48.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 340
sparky, xeasy		 320
sparky, xeasy		 94.12
8 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 256×314×256N: 101.125 – 133.000
HN: 5.490 – 10.986
H: 0.041 – 7.014		 600 80.75 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 280
sparky, xeasy		 253
sparky, xeasy		 90.36
9 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×238×584C: 10.335 – 76.077
HC: -0.998 – 5.483
H: -2.007 – 7.484		 600 142.24 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 2165
sparky, xeasy		 2023
sparky, xeasy		 93.44
10 HNCA
ucsf, pipe, .3D.16, .3D.param		 128×64×314N: 101.250 – 133.000
C: 39.125 – 68.656
HN: 5.495 – 10.998		 600 10.97 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 209
sparky, xeasy		 190
sparky, xeasy		 90.91
11 HNCO
ucsf, pipe, .3D.16, .3D.param		 256×128×370N: 101.125 – 133.000
C: 169.116 – 182.927
HN: 5.497 – 11.993		 600 48.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 118
sparky, xeasy		 95
sparky, xeasy		 80.51
12 HNcoCA
ucsf, pipe, .3D.16, .3D.param		 256×64×285N: 101.125 – 133.000
C: 41.469 – 71.000
HN: 5.989 – 10.988		 600 18.06 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 104
sparky, xeasy		 95
sparky, xeasy		 91.35
13 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 1024×445N: 101.031 – 133.000
H: 5.493 – 11.997		 600 1.93 N–H: spectrum, spectrum with peaks 171
sparky, xeasy		 115
sparky, xeasy		 67.25
14 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 128×286×256N: 101.318 – 133.072
HN: 6.006 – 10.997
H: -0.893 – 11.063		 850 36.13 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 2646
sparky, xeasy		 2087
sparky, xeasy		 78.87

2K50 (110 residues, PDB, BMRB, 2008)

Reference:
Rossi, P., Xiao, R., Acton, T.B., Montelione, G.T. Solution NMR Structure of the replication Factor A Related Protein from Methanobacterium thermoautotrophicum. Northeast Structural Genomics Target TR91A. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×896C: 8.405 – 83.217
H: -0.970 – 6.032		 800 1.75 C–H: spectrum, spectrum with peaks 529
sparky, xeasy		 499
sparky, xeasy		 94.33
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×552×256C: 29.957 – 53.770
HC: -1.501 – 6.003
H: -0.652 – 10.305		 800 72.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 12692
sparky, xeasy		 11718
sparky, xeasy		 92.33
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 128×221×256C: 113.006 – 142.772
HC: 6.012 – 9.008
H: -0.652 – 10.305		 800 27.63 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 692
sparky, xeasy		 658
sparky, xeasy		 95.09
4 CBCANH
ucsf, pipe, .3D.16, .3D.param		 128×128×512N: 102.351 – 132.117
C: 4.661 – 79.090
HN: 4.852 – 11.828		 600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 398
sparky, xeasy		 368
sparky, xeasy		 92.46
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 64×128×512N: 102.585 – 132.117
C: 4.844 – 79.258
HN: 4.850 – 11.826		 600 16.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 210
sparky, xeasy		 196
sparky, xeasy		 93.33
6 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×256×513C1: 31.949 – 55.761
C2: 6.173 – 80.880
H1: -1.004 – 5.985		 600 68.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks		 1982
sparky, xeasy		 1836
sparky, xeasy		 92.63
7 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 64×512×256N: 103.585 – 133.117
HN: 4.847 – 11.823
H: 0.350 – 6.326		 600 32.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 273
sparky, xeasy		 254
sparky, xeasy		 93.04
8 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×128×513C: 31.949 – 55.761
HC: -0.412 – 6.037
H: -1.008 – 5.981		 600 34.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 3007
sparky, xeasy		 2755
sparky, xeasy		 91.62
9 HNCA
ucsf, pipe, .3D.16, .3D.param		 128×128×512N: 103.281 – 133.046
C: 40.977 – 72.789
HN: 4.847 – 11.823		 600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 209
sparky, xeasy		 194
sparky, xeasy		 92.82
10 HNCO
ucsf, pipe, .3D.16, .3D.param		 128×128×512N: 104.460 – 134.226
C: 167.889 – 189.801
HN: 4.841 – 11.817		 600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 110
sparky, xeasy		 96
sparky, xeasy		 87.27
11 HNcaCO
ucsf, pipe, .3D.16, .3D.param		 128×128×512N: 105.460 – 135.226
C: 167.889 – 189.801
HN: 4.843 – 11.819		 600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 209
sparky, xeasy		 190
sparky, xeasy		 90.91
12 HNcoCA
ucsf, pipe, .3D.16, .3D.param		 128×128×512N: 103.351 – 133.117
C: 40.928 – 72.689
HN: 4.847 – 11.823		 600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 104
sparky, xeasy		 97
sparky, xeasy		 93.27
13 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 256×1024N: 100.767 – 135.630
H: 4.818 – 14.821		 800 1.00 N–H: spectrum, spectrum with peaks 180
sparky, xeasy		 104
sparky, xeasy		 57.78
14 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 64×512×512N: 103.599 – 133.130
HN: 4.823 – 11.783
H: -2.657 – 12.314		 800 64.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 3692
sparky, xeasy		 2764
sparky, xeasy		 74.86

2KL5 (110 residues, PDB, BMRB, 2009)

Reference:
Liu, G., Hamilton, K., Xiao, R., Ciccosanti, C., Ho, C., Everett, E.K., Nair, R., Acton, A.B., Rost, B., Montelione, G.T. Solution NMR Structure of protein yutD from B.subtilis, Northeast Structural Genomics Consortium Target Target SR232. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×2048C: 6.692 – 76.552
H: -2.199 – 11.741		 800 4.00 C–H: spectrum, spectrum with peaks 482
sparky, xeasy		 374
sparky, xeasy		 77.59
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param		 256×1024C: 112.777 – 142.668
H: 4.781 – 11.748		 800 1.00 C–H: spectrum, spectrum with peaks 96
sparky, xeasy		 47
sparky, xeasy		 48.96
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×524×512C: 34.853 – 74.541
HC: -1.104 – 6.019
H: -2.207 – 11.765		 800 136.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 5794
sparky, xeasy		 4614
sparky, xeasy		 79.63
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 64×304×256C: 113.102 – 142.633
HC: 4.873 – 8.429
H: -1.179 – 10.775		 800 20.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 798
sparky, xeasy		 413
sparky, xeasy		 51.75
5 CBCANH
ucsf, pipe, .3D.16, .3D.param		 64×128×512N: 101.945 – 134.342
C: 13.817 – 83.274
HN: 4.777 – 11.434		 600 16.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 422
sparky, xeasy		 264
sparky, xeasy		 62.56
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 64×128×512N: 101.945 – 134.342
C: 13.834 – 83.291
HN: 4.757 – 11.415		 600 16.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 250
sparky, xeasy		 142
sparky, xeasy		 56.80
7 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 512×1024N: 101.651 – 134.586
H: 4.770 – 11.737		 800 2.00 N–H: spectrum, spectrum with peaks 172
sparky, xeasy		 74
sparky, xeasy		 43.02
8 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 128×503×463N: 104.370 – 135.037
HN: 4.831 – 11.669
H: -0.866 – 11.766		 800 116.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 1984
sparky, xeasy		 1129
sparky, xeasy		 56.91

2LTA (110 residues, PDB, BMRB, 2012)

Reference:
Koga, N., Tatsumi-Koga, R., Liu, G., Xiao, R., Acton, T.B., Montelione, G.T., Baker, D. (2012). Principles for designing ideal protein structures. Nature 491: 222-227

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×448×409C: 19.906 – 89.359
HC: -0.358 – 5.730
H: -0.609 – 10.547		 800 91.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 7720
sparky, xeasy		 7242
sparky, xeasy		 93.81
2 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 63×101×234C: 113.114 – 142.176
HC: 6.377 – 7.739
H: -0.820 – 11.013		 800 7.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 192
sparky, xeasy		 137
sparky, xeasy		 71.35
3 CBCANH
ucsf, pipe, .3D.16, .3D.param		 128×128×512N: 103.243 – 132.634
C: 13.792 – 83.255
HN: 4.799 – 11.457		 600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 426
sparky, xeasy		 386
sparky, xeasy		 90.61
4 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 128×128×512N: 103.243 – 132.634
C: 13.820 – 83.283
HN: 4.800 – 11.458		 600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 232
sparky, xeasy		 213
sparky, xeasy		 91.81
5 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 64×128×1024C1: 29.783 – 53.408
C2: 4.676 – 79.090
H1: -2.156 – 11.778		 800 32.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks		 2321
sparky, xeasy		 2240
sparky, xeasy		 96.51
6 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 64×128×512N: 103.460 – 132.620
C: 9.206 – 88.171
HN: 4.805 – 11.463		 600 16.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 412
sparky, xeasy		 385
sparky, xeasy		 93.45
7 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 64×512×256N: 103.505 – 133.036
HN: 4.825 – 11.785
H: -0.412 – 6.561		 800 32.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 298
sparky, xeasy		 269
sparky, xeasy		 90.27
8 HNCO
ucsf, pipe, .3D.16, .3D.param		 64×64×512N: 103.484 – 132.643
C: 168.045 – 185.017
HN: 4.800 – 11.458		 600 8.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 118
sparky, xeasy		 99
sparky, xeasy		 83.90
9 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 512×1024N: 103.073 – 132.637
H: 4.799 – 11.464		 600 2.00 N–H: spectrum, spectrum with peaks 171
sparky, xeasy		 110
sparky, xeasy		 64.33
10 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 128×287×410N: 102.493 – 133.431
HN: 6.378 – 10.274
H: -0.631 – 10.553		 800 58.50 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 2244
sparky, xeasy		 1729
sparky, xeasy		 77.05

2KIW (111 residues, PDB, BMRB, 2009)

Reference:
Yang, Y., Ramelot, T.A., Belote, R.L., Foote, E.L., Janjua, H., Nair, R., Rost, B., Swapna, G., Acton, T.B., Xiao, R., Everett, J.K., Montelio, G.T., Kennedy, M.A. Solution NMR structure of the domain N-terminal to the integrase domain of SH1003 from Staphylococcus haemolyticus. Northeast Structural Genomics Consortium Target ShR105F (64-166). To be published.

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 1024×615C: 3.333 – 88.250
H: -1.999 – 6.998		 850 2.52 C–H: spectrum, spectrum with peaks 516
sparky, xeasy		 507
sparky, xeasy		 98.26
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param		 512×228C: 110.059 – 140.000
H: 5.997 – 9.993		 600 0.45 C–H: spectrum, spectrum with peaks 65
sparky, xeasy		 51
sparky, xeasy		 78.46
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×401×256C: 6.991 – 76.718
HC: -0.996 – 6.008
H: -1.036 – 10.682		 850 106.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 8665
sparky, xeasy		 8209
sparky, xeasy		 94.74
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 128×201×512C: 111.534 – 141.300
HC: 5.500 – 9.003
H: -1.059 – 10.682		 850 51.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 782
sparky, xeasy		 638
sparky, xeasy		 81.59
5 CBCANH
ucsf, pipe, .3D.16, .3D.param		 256×128×400N: 103.109 – 131.000
C: 11.547 – 81.000
HN: 4.998 – 12.006		 600 50.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 428
sparky, xeasy		 408
sparky, xeasy		 95.33
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 256×128×400N: 103.109 – 131.000
C: 11.547 – 81.000
HN: 4.993 – 12.001		 600 50.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 253
sparky, xeasy		 243
sparky, xeasy		 96.05
7 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×256×428C1: 8.434 – 78.168
C2: 8.438 – 78.164
H1: -0.996 – 6.504		 600 110.50 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks		 1900
sparky, xeasy		 1882
sparky, xeasy		 99.05
8 CCNOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 64×32×128×1024C1: 13.617 – 33.987
C2: 13.940 – 33.987
H1: -0.474 – 6.469
H2: -3.685 – 9.638		 600 1024.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C1–H2: projection, projection with peaks
C2–H1: projection, projection with peaks
H2–C2: projection, projection with peaks
H2–H1: projection, projection with peaks		 3988
sparky, xeasy		 3961
sparky, xeasy		 99.32
9 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×128×400N: 106.846 – 131.250
C: 16.469 – 76.000
HN: 4.998 – 12.006		 600 50.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 391
sparky, xeasy		 380
sparky, xeasy		 97.19
10 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 256×258×128N: 106.846 – 131.250
HN: 6.013 – 10.526
H: -0.161 – 5.793		 600 34.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 288
sparky, xeasy		 274
sparky, xeasy		 95.14
11 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×256×401C: 6.991 – 76.718
HC: -0.365 – 6.607
H: -0.944 – 6.061		 850 106.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 1958
sparky, xeasy		 1931
sparky, xeasy		 98.62
12 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×127×542C: 8.379 – 77.839
HC: -0.868 – 6.514
H: -1.973 – 7.528		 600 36.43 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 2914
sparky, xeasy		 2887
sparky, xeasy		 99.07
13 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 256×128×229N: 106.851 – 131.255
H: -0.868 – 6.573
HN: 6.013 – 10.017		 600 29.75 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks		 574
sparky, xeasy		 559
sparky, xeasy		 97.39
14 HNCA
ucsf, pipe, .3D.16, .3D.param		 256×128×400N: 103.109 – 131.000
C: 41.164 – 70.930
HN: 4.993 – 12.001		 600 50.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 215
sparky, xeasy		 205
sparky, xeasy		 95.35
15 HNCO
ucsf, pipe, .3D.16, .3D.param		 128×64×343N: 103.219 – 131.000
C: 167.578 – 180.629
HN: 4.993 – 10.999		 600 11.81 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 127
sparky, xeasy		 121
sparky, xeasy		 95.28
16 HNcoCA
ucsf, pipe, .3D.16, .3D.param		 256×128×400N: 103.109 – 131.000
C: 41.233 – 71.002
HN: 4.998 – 12.006		 600 50.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 107
sparky, xeasy		 102
sparky, xeasy		 95.33
17 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 1024×400N: 106.767 – 131.243
H: 4.993 – 12.007		 600 1.56 N–H: spectrum, spectrum with peaks 181
sparky, xeasy		 124
sparky, xeasy		 68.51
18 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 256×478×256N: 106.932 – 131.336
HN: 5.005 – 11.994
H: -1.279 – 10.927		 850 123.25 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 3173
sparky, xeasy		 2576
sparky, xeasy		 81.18

2LVB (112 residues, PDB, BMRB, 2012)

Reference:
Koga, N., Tatsumi-Koga, R., Liu, G., Xiao, R., Acton, T.B., Montelione, G.T., Baker, D. (2012). Principles for designing ideal protein structures. Nature 491: 222-227

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×524×512C: 20.273 – 89.726
HC: -1.071 – 6.053
H: -2.172 – 11.801		 800 136.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 7107
sparky, xeasy		 6673
sparky, xeasy		 93.89
2 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 64×264×256C: 113.193 – 142.724
HC: 5.467 – 9.049
H: -1.649 – 11.300		 800 20.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 396
sparky, xeasy		 333
sparky, xeasy		 84.09
3 CBCANH
ucsf, pipe, .3D.16, .3D.param		 64×256×512N: 103.026 – 133.542
C: 4.375 – 79.082
HN: 4.812 – 11.772		 800 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 422
sparky, xeasy		 375
sparky, xeasy		 88.86
4 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 64×256×512N: 103.026 – 133.542
C: 4.454 – 79.161
HN: 4.811 – 11.771		 800 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 258
sparky, xeasy		 235
sparky, xeasy		 91.09
5 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 64×128×1024C1: 30.146 – 53.771
C2: 4.893 – 79.307
H1: -2.160 – 11.774		 800 32.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks		 1790
sparky, xeasy		 1744
sparky, xeasy		 97.43
6 HNCO
ucsf, pipe, .3D.16, .3D.param		 64×64×512N: 103.026 – 133.542
C: 167.954 – 189.610
HN: 4.813 – 11.773		 800 8.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 132
sparky, xeasy		 95
sparky, xeasy		 71.97
7 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 512×1024N: 103.129 – 133.071
H: 4.806 – 11.773		 800 2.00 N–H: spectrum, spectrum with peaks 179
sparky, xeasy		 121
sparky, xeasy		 67.60
8 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 128×288×431N: 102.536 – 133.474
HN: 6.421 – 10.330
H: -1.136 – 10.622		 800 60.75 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 2339
sparky, xeasy		 1810
sparky, xeasy		 77.38

2LND (112 residues, PDB, BMRB, 2011)

Reference:
Liu, G., Koga, N., Koga, R., Xiao, R., Lee, H., Janjua, H., Kohan, E., Acton, T.B., Everett, J.K., Baker, D., Montelione, G.T. Northeast Structural Genomics Consortium Target OR134. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 512×2048C: 76.788 – 146.651
H: -2.169 – 11.772		 800 4.00 C–H: spectrum, spectrum with peaks 499
sparky, xeasy		 478
sparky, xeasy		 95.79
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param		 128×1024C: 112.987 – 142.752
H: 4.812 – 11.779		 800 0.50 C–H: spectrum, spectrum with peaks 41
sparky, xeasy		 28
sparky, xeasy		 68.29
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×564×512C: 20.270 – 89.723
HC: -1.345 – 6.324
H: -2.174 – 11.798		 800 144.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 7248
sparky, xeasy		 6793
sparky, xeasy		 93.72
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param		 64×124×256C: 113.195 – 142.726
HC: 6.282 – 7.957
H: -1.650 – 11.300		 800 8.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 393
sparky, xeasy		 326
sparky, xeasy		 82.95
5 CBCANH
ucsf, pipe, .3D.16, .3D.param		 64×256×512N: 104.053 – 132.599
C: 4.405 – 79.112
HN: 4.815 – 11.775		 800 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 422
sparky, xeasy		 371
sparky, xeasy		 87.91
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 64×256×512N: 104.057 – 132.604
C: 4.467 – 79.174
HN: 4.814 – 11.774		 800 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 258
sparky, xeasy		 233
sparky, xeasy		 90.31
7 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 64×128×1024C1: 30.108 – 53.733
C2: 4.866 – 79.280
H1: -2.161 – 11.773		 800 32.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks		 1781
sparky, xeasy		 1735
sparky, xeasy		 97.42
8 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 64×512×256N: 104.057 – 132.604
HN: 4.815 – 11.775
H: -0.420 – 6.553		 800 32.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 289
sparky, xeasy		 251
sparky, xeasy		 86.85
9 HNCO
ucsf, pipe, .3D.16, .3D.param		 64×64×512N: 104.053 – 132.599
C: 167.905 – 189.561
HN: 4.815 – 11.775		 800 8.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 132
sparky, xeasy		 95
sparky, xeasy		 71.97
10 N15HSQC
ucsf, pipe, .3D.16, .3D.param		 512×1024N: 103.659 – 132.602
H: 4.804 – 11.771		 800 2.00 N–H: spectrum, spectrum with peaks 179
sparky, xeasy		 120
sparky, xeasy		 67.04
11 N15NOESY
ucsf, pipe, .3D.16, .3D.param		 128×295×437N: 102.741 – 133.679
HN: 6.403 – 10.407
H: -1.218 – 10.704		 800 70.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks		 2384
sparky, xeasy		 1831
sparky, xeasy		 76.80

1WQU (114 residues, PDB, BMRB, 2004)

Reference:
Scott, A., Pantoja-Uceda, D., Koshiba, S., Inoue, M., Kigawa, T., Terada, T., Shirouzu, M., Tanaka, A., Sugano, S., Yokoyama, S., Guntert, P. (2005). Solution structure of the Src homology 2 domain from the human feline sarcoma oncogene Fes. J Biomol NMR 31: 357-361

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]		File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC
ucsf, pipe, .3D.16, .3D.param		 512×1322C: 5.925 – 45.351
H: -0.996 – 8.002		 800 2.58 C–H: spectrum, spectrum with peaks 556
sparky, xeasy		 529
sparky, xeasy		 95.14
2 C13NOESY
ucsf, pipe, .3D.16, .3D.param		 128×1322×800C: 6.142 – 45.336
HC: -0.996 – 8.003
H: -2.261 – 11.672		 800 516.41 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks		 12393
sparky, xeasy		 11726
sparky, xeasy		 94.62
3 CBCANH
ucsf, pipe, .3D.16, .3D.param		 128×256×367N: 101.310 – 133.947
C: -0.093 – 74.590
HN: 5.201 – 10.198		 600 45.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 400
sparky, xeasy		 373
sparky, xeasy		 93.25
4 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param		 128×256×367N: 101.310 – 133.947
C: 0.317 – 75.000
HN: 5.201 – 10.198		 600 45.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 232
sparky, xeasy		 219
sparky, xeasy		 94.40
5 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×256×367N: 101.310 – 133.947
C: 0.142 – 74.825
HN: 5.202 – 10.199		 600 45.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks		 370
sparky, xeasy		 354
sparky, xeasy		 95.68
6 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param		 128×367×256N: 101.310 – 133.947
HN: 5.201 – 10.198
H: -2.239 – 11.688		 600 45.88 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks		 288
sparky, xeasy		 268
sparky, xeasy		 93.06
7 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param		 128×276×550C: 0.522 – 74.913
HC: -1.010 – 6.499
H: -0.991 – 6.505		 600 74.12 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks		 1829
sparky, xeasy		 1782
sparky, xeasy		 97.43
8 HCCHCOSY (aromatic)
ucsf, pipe,