NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage program type subtype
393936 1qyt cing 3-converted-DOCR XPLOR/CNS coordinate ensemble


ATOM      1  C   GLY A  25      -2.584   0.806   7.064  1.00  0.00      A       
ATOM      2  CA  GLY A  25      -3.553  -0.377   7.122  1.00  0.00      A       
ATOM      3  HT1 GLY A  25      -3.742  -0.377   9.196  1.00  0.00      A       
ATOM      4  HA2 GLY A  25      -2.998  -1.311   7.026  1.00  0.00      A       
ATOM      5  HA1 GLY A  25      -4.242  -0.328   6.279  1.00  0.00      A       
ATOM      6  N   GLY A  25      -4.301  -0.377   8.367  1.00  0.00      A       
ATOM      7  O   GLY A  25      -2.966   1.907   6.669  1.00  0.00      A       
ATOM      8  C   SER A  26       0.267   1.716   6.059  1.00  0.00      A       
ATOM      9  CA  SER A  26      -0.323   1.568   7.462  1.00  0.00      A       
ATOM     10  CB  SER A  26       0.780   1.246   8.472  1.00  0.00      A       
ATOM     11  HN  SER A  26      -1.047  -0.359   7.784  1.00  0.00      A       
ATOM     12  HA  SER A  26      -0.833   2.484   7.762  1.00  0.00      A       
ATOM     13  HB1 SER A  26       1.752   1.470   8.031  1.00  0.00      A       
ATOM     14  HG  SER A  26       0.166   2.849   9.499  1.00  0.00      A       
ATOM     15  N   SER A  26      -1.350   0.539   7.464  1.00  0.00      A       
ATOM     16  O   SER A  26       1.484   1.674   5.886  1.00  0.00      A       
ATOM     17  OG  SER A  26       0.628   1.982   9.682  1.00  0.00      A       
ATOM     18  C   ASN A  27       0.086   0.662   3.111  1.00  0.00      A       
ATOM     19  CA  ASN A  27      -0.204   2.040   3.709  1.00  0.00      A       
ATOM     20  CB  ASN A  27       1.073   2.877   3.610  1.00  0.00      A       
ATOM     21  CG  ASN A  27       0.998   4.102   4.524  1.00  0.00      A       
ATOM     22  HN  ASN A  27      -1.611   1.919   5.241  1.00  0.00      A       
ATOM     23  HA  ASN A  27      -1.034   2.544   3.213  1.00  0.00      A       
ATOM     24  HB1 ASN A  27       1.223   3.197   2.579  1.00  0.00      A       
ATOM     25 HD21 ASN A  27       2.527   3.330   5.604  1.00  0.00      A       
ATOM     26 HD22 ASN A  27       1.919   4.853   6.163  1.00  0.00      A       
ATOM     27  N   ASN A  27      -0.622   1.886   5.092  1.00  0.00      A       
ATOM     28  ND2 ASN A  27       1.888   4.094   5.512  1.00  0.00      A       
ATOM     29  O   ASN A  27      -0.398   0.337   2.028  1.00  0.00      A       
ATOM     30  OD1 ASN A  27       0.186   4.995   4.344  1.00  0.00      A       
ATOM     31  C   LYS A  28      -0.008  -2.148   2.847  1.00  0.00      A       
ATOM     32  CA  LYS A  28       1.235  -1.447   3.399  1.00  0.00      A       
ATOM     33  CB  LYS A  28       1.926  -2.217   4.525  1.00  0.00      A       
ATOM     34  CD  LYS A  28       2.436  -0.929   6.632  1.00  0.00      A       
ATOM     35  CE  LYS A  28       2.467  -2.115   7.598  1.00  0.00      A       
ATOM     36  CG  LYS A  28       2.946  -1.335   5.248  1.00  0.00      A       
ATOM     37  HN  LYS A  28       1.264   0.161   4.723  1.00  0.00      A       
ATOM     38  HA  LYS A  28       1.958  -1.338   2.591  1.00  0.00      A       
ATOM     39  HB1 LYS A  28       2.426  -3.096   4.116  1.00  0.00      A       
ATOM     40  HD1 LYS A  28       1.418  -0.548   6.551  1.00  0.00      A       
ATOM     41  HE1 LYS A  28       3.344  -2.045   8.241  1.00  0.00      A       
ATOM     42  HG1 LYS A  28       3.146  -0.443   4.654  1.00  0.00      A       
ATOM     43  HZ1 LYS A  28       0.514  -2.716   8.007  1.00  0.00      A       
ATOM     44  HZ2 LYS A  28       1.413  -2.519   9.350  1.00  0.00      A       
ATOM     45  N   LYS A  28       0.874  -0.111   3.843  1.00  0.00      A       
ATOM     46  NZ  LYS A  28       1.239  -2.144   8.424  1.00  0.00      A       
ATOM     47  O   LYS A  28      -1.097  -2.020   3.404  1.00  0.00      A       
ATOM     48  C   GLY A  29      -1.653  -2.696   0.148  1.00  0.00      A       
ATOM     49  CA  GLY A  29      -0.893  -3.597   1.124  1.00  0.00      A       
ATOM     50  HN  GLY A  29       1.086  -2.974   1.311  1.00  0.00      A       
ATOM     51  HA2 GLY A  29      -0.500  -4.464   0.594  1.00  0.00      A       
ATOM     52  HA1 GLY A  29      -1.577  -3.972   1.886  1.00  0.00      A       
ATOM     53  N   GLY A  29       0.197  -2.875   1.758  1.00  0.00      A       
ATOM     54  O   GLY A  29      -1.980  -3.114  -0.962  1.00  0.00      A       
ATOM     55  C   ALA A  30      -1.626   0.250  -1.095  1.00  0.00      A       
ATOM     56  CA  ALA A  30      -2.626  -0.513  -0.224  1.00  0.00      A       
ATOM     57  CB  ALA A  30      -3.444   0.416   0.675  1.00  0.00      A       
ATOM     58  HN  ALA A  30      -1.642  -1.144   1.500  1.00  0.00      A       
ATOM     59  HA  ALA A  30      -3.308  -1.068  -0.869  1.00  0.00      A       
ATOM     60  HB1 ALA A  30      -2.910   1.357   0.807  1.00  0.00      A       
ATOM     61  HB2 ALA A  30      -4.412   0.609   0.213  1.00  0.00      A       
ATOM     62  HB3 ALA A  30      -3.593  -0.057   1.646  1.00  0.00      A       
ATOM     63  N   ALA A  30      -1.911  -1.477   0.596  1.00  0.00      A       
ATOM     64  O   ALA A  30      -1.727   0.234  -2.321  1.00  0.00      A       
ATOM     65  C   ILE A  31       1.307   0.708  -1.814  1.00  0.00      A       
ATOM     66  CA  ILE A  31       0.333   1.667  -1.126  1.00  0.00      A       
ATOM     67  CB  ILE A  31       1.011   2.652  -0.171  1.00  0.00      A       
ATOM     68  CD1 ILE A  31       0.874   4.925  -1.254  1.00  0.00      A       
ATOM     69  CG1 ILE A  31       0.295   4.004  -0.178  1.00  0.00      A       
ATOM     70  CG2 ILE A  31       2.500   2.790  -0.493  1.00  0.00      A       
ATOM     71  HN  ILE A  31      -0.609   0.907   0.569  1.00  0.00      A       
ATOM     72  HA  ILE A  31      -0.171   2.256  -1.892  1.00  0.00      A       
ATOM     73  HB  ILE A  31       0.936   2.253   0.841  1.00  0.00      A       
ATOM     74 HD11 ILE A  31       1.834   5.317  -0.918  1.00  0.00      A       
ATOM     75 HD12 ILE A  31       1.014   4.363  -2.177  1.00  0.00      A       
ATOM     76 HD13 ILE A  31       0.186   5.752  -1.432  1.00  0.00      A       
ATOM     77 HG11 ILE A  31       0.390   4.475   0.800  1.00  0.00      A       
ATOM     78 HG21 ILE A  31       2.934   3.576   0.126  1.00  0.00      A       
ATOM     79 HG22 ILE A  31       3.006   1.847  -0.287  1.00  0.00      A       
ATOM     80 HG23 ILE A  31       2.623   3.046  -1.545  1.00  0.00      A       
ATOM     81  N   ILE A  31      -0.684   0.899  -0.428  1.00  0.00      A       
ATOM     82  O   ILE A  31       2.191   1.140  -2.552  1.00  0.00      A       
ATOM     83  C   ILE A  32       1.115  -2.828  -2.468  1.00  0.00      A       
ATOM     84  CA  ILE A  32       1.962  -1.598  -2.132  1.00  0.00      A       
ATOM     85  CB  ILE A  32       3.146  -1.900  -1.212  1.00  0.00      A       
ATOM     86  CD1 ILE A  32       5.033  -0.839  -2.505  1.00  0.00      A       
ATOM     87  CG1 ILE A  32       4.170  -0.763  -1.245  1.00  0.00      A       
ATOM     88  CG2 ILE A  32       3.778  -3.250  -1.557  1.00  0.00      A       
ATOM     89  HN  ILE A  32       0.390  -0.918  -0.946  1.00  0.00      A       
ATOM     90  HA  ILE A  32       2.368  -1.195  -3.059  1.00  0.00      A       
ATOM     91  HB  ILE A  32       2.775  -1.970  -0.189  1.00  0.00      A       
ATOM     92 HD11 ILE A  32       4.525  -1.442  -3.258  1.00  0.00      A       
ATOM     93 HD12 ILE A  32       5.197   0.166  -2.895  1.00  0.00      A       
ATOM     94 HD13 ILE A  32       5.993  -1.295  -2.262  1.00  0.00      A       
ATOM     95 HG11 ILE A  32       4.805  -0.815  -0.361  1.00  0.00      A       
ATOM     96 HG21 ILE A  32       3.885  -3.336  -2.638  1.00  0.00      A       
ATOM     97 HG22 ILE A  32       4.760  -3.322  -1.088  1.00  0.00      A       
ATOM     98 HG23 ILE A  32       3.140  -4.054  -1.189  1.00  0.00      A       
ATOM     99  N   ILE A  32       1.112  -0.575  -1.548  1.00  0.00      A       
ATOM    100  O   ILE A  32       0.311  -3.275  -1.651  1.00  0.00      A       
ATOM    101  C   GLY A  33      -0.574  -4.107  -5.034  1.00  0.00      A       
ATOM    102  CA  GLY A  33       0.590  -4.509  -4.126  1.00  0.00      A       
ATOM    103  HN  GLY A  33       1.980  -2.970  -4.330  1.00  0.00      A       
ATOM    104  HA2 GLY A  33       1.262  -5.178  -4.663  1.00  0.00      A       
ATOM    105  HA1 GLY A  33       0.211  -5.061  -3.266  1.00  0.00      A       
ATOM    106  N   GLY A  33       1.324  -3.340  -3.672  1.00  0.00      A       
ATOM    107  O   GLY A  33      -0.897  -4.817  -5.985  1.00  0.00      A       
ATOM    108  C   LEU A  34      -1.766  -1.794  -6.755  1.00  0.00      A       
ATOM    109  CA  LEU A  34      -2.291  -2.464  -5.484  1.00  0.00      A       
ATOM    110  CB  LEU A  34      -3.169  -1.552  -4.625  1.00  0.00      A       
ATOM    111  CD1 LEU A  34      -3.430   0.687  -5.756  1.00  0.00      A       
ATOM    112  CD2 LEU A  34      -4.708  -1.331  -6.610  1.00  0.00      A       
ATOM    113  CG  LEU A  34      -4.121  -0.627  -5.386  1.00  0.00      A       
ATOM    114  HN  LEU A  34      -0.901  -2.398  -3.934  1.00  0.00      A       
ATOM    115  HA  LEU A  34      -2.901  -3.321  -5.772  1.00  0.00      A       
ATOM    116  HB1 LEU A  34      -2.519  -0.939  -4.001  1.00  0.00      A       
ATOM    117 HD11 LEU A  34      -3.531   0.861  -6.828  1.00  0.00      A       
ATOM    118 HD12 LEU A  34      -3.892   1.508  -5.209  1.00  0.00      A       
ATOM    119 HD13 LEU A  34      -2.373   0.627  -5.496  1.00  0.00      A       
ATOM    120 HD21 LEU A  34      -4.589  -2.409  -6.501  1.00  0.00      A       
ATOM    121 HD22 LEU A  34      -5.767  -1.089  -6.696  1.00  0.00      A       
ATOM    122 HD23 LEU A  34      -4.186  -0.997  -7.507  1.00  0.00      A       
ATOM    123  HG  LEU A  34      -4.954  -0.378  -4.728  1.00  0.00      A       
ATOM    124  N   LEU A  34      -1.171  -2.969  -4.709  1.00  0.00      A       
ATOM    125  O   LEU A  34      -2.137  -2.178  -7.863  1.00  0.00      A       
ATOM    126  C   MET A  35       0.774  -0.892  -8.341  1.00  0.00      A       
ATOM    127  CA  MET A  35      -0.331  -0.074  -7.668  1.00  0.00      A       
ATOM    128  CB  MET A  35       0.247   1.251  -7.168  1.00  0.00      A       
ATOM    129  CE  MET A  35      -2.063   4.659  -6.922  1.00  0.00      A       
ATOM    130  CG  MET A  35      -0.867   2.207  -6.737  1.00  0.00      A       
ATOM    131  HN  MET A  35      -0.614  -0.496  -5.648  1.00  0.00      A       
ATOM    132  HA  MET A  35      -1.150   0.089  -8.368  1.00  0.00      A       
ATOM    133  HB1 MET A  35       0.843   1.713  -7.956  1.00  0.00      A       
ATOM    134  HE1 MET A  35      -2.099   5.640  -7.396  1.00  0.00      A       
ATOM    135  HE2 MET A  35      -2.898   4.055  -7.277  1.00  0.00      A       
ATOM    136  HE3 MET A  35      -2.132   4.775  -5.841  1.00  0.00      A       
ATOM    137  HG1 MET A  35      -0.948   2.218  -5.650  1.00  0.00      A       
ATOM    138  N   MET A  35      -0.911  -0.802  -6.552  1.00  0.00      A       
ATOM    139  OT1 MET A  35       0.558  -1.482  -9.398  1.00  0.00      A       
ATOM    140  SD  MET A  35      -0.526   3.853  -7.338  1.00  0.00      A       
END


Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Tuesday, May 21, 2024 8:58:12 PM GMT (wattos1)