NMR Restraints Grid

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

image mrblock_id pdb_id cing stage program type subtype
376696 1ful cing 3-converted-DOCR XPLOR/CNS coordinate ensemble


ATOM      1  C   ALA A   1      -4.538  -2.652  -3.727  1.00  0.00      A       
ATOM      2  CA  ALA A   1      -5.789  -3.414  -4.176  1.00  0.00      A       
ATOM      3  CB  ALA A   1      -6.591  -3.895  -2.969  1.00  0.00      A       
ATOM      4  HT1 ALA A   1      -4.950  -4.412  -5.801  1.00  0.00      A       
ATOM      5  HT2 ALA A   1      -6.256  -5.228  -5.083  1.00  0.00      A       
ATOM      6  HT3 ALA A   1      -4.739  -5.209  -4.319  1.00  0.00      A       
ATOM      7  HA  ALA A   1      -6.405  -2.790  -4.804  1.00  0.00      A       
ATOM      8  HB1 ALA A   1      -7.115  -3.059  -2.529  1.00  0.00      A       
ATOM      9  HB2 ALA A   1      -5.921  -4.325  -2.238  1.00  0.00      A       
ATOM     10  HB3 ALA A   1      -7.304  -4.641  -3.286  1.00  0.00      A       
ATOM     11  N   ALA A   1      -5.404  -4.660  -4.899  1.00  0.00      A       
ATOM     12  O   ALA A   1      -3.452  -3.197  -3.687  1.00  0.00      A       
ATOM     13  C   CYS A   2      -3.901   0.255  -1.736  1.00  0.00      A       
ATOM     14  CA  CYS A   2      -3.514  -0.604  -2.929  1.00  0.00      A       
ATOM     15  CB  CYS A   2      -3.108   0.285  -4.116  1.00  0.00      A       
ATOM     16  HN  CYS A   2      -5.565  -0.983  -3.407  1.00  0.00      A       
ATOM     17  HA  CYS A   2      -2.694  -1.259  -2.664  1.00  0.00      A       
ATOM     18  HB2 CYS A   2      -2.536  -0.298  -4.822  1.00  0.00      A       
ATOM     19  HB1 CYS A   2      -3.997   0.658  -4.601  1.00  0.00      A       
ATOM     20  N   CYS A   2      -4.684  -1.398  -3.382  1.00  0.00      A       
ATOM     21  O   CYS A   2      -4.439   1.337  -1.875  1.00  0.00      A       
ATOM     22  SG  CYS A   2      -2.096   1.698  -3.550  1.00  0.00      A       
ATOM     23  C   ASP A   3      -2.476   1.150   1.081  1.00  0.00      A       
ATOM     24  CA  ASP A   3      -3.827   0.623   0.633  1.00  0.00      A       
ATOM     25  CB  ASP A   3      -4.467  -0.309   1.680  1.00  0.00      A       
ATOM     26  CG  ASP A   3      -3.730  -1.650   1.757  1.00  0.00      A       
ATOM     27  HN  ASP A   3      -3.089  -1.040  -0.509  1.00  0.00      A       
ATOM     28  HA  ASP A   3      -4.482   1.436   0.402  1.00  0.00      A       
ATOM     29  HB2 ASP A   3      -4.430   0.169   2.648  1.00  0.00      A       
ATOM     30  HB1 ASP A   3      -5.497  -0.486   1.412  1.00  0.00      A       
ATOM     31  N   ASP A   3      -3.562  -0.190  -0.576  1.00  0.00      A       
ATOM     32  O   ASP A   3      -2.211   2.336   1.046  1.00  0.00      A       
ATOM     33  OD1 ASP A   3      -3.769  -2.383   0.783  1.00  0.00      A       
ATOM     34  OD2 ASP A   3      -3.143  -1.923   2.792  1.00  0.00      A       
ATOM     35  C   CYS A   4       0.728  -0.475   1.486  1.00  0.00      A       
ATOM     36  CA  CYS A   4      -0.241   0.673   1.813  1.00  0.00      A       
ATOM     37  CB  CYS A   4      -0.329   0.971   3.306  1.00  0.00      A       
ATOM     38  HN  CYS A   4      -1.825  -0.673   1.399  1.00  0.00      A       
ATOM     39  HA  CYS A   4       0.040   1.562   1.278  1.00  0.00      A       
ATOM     40  HB2 CYS A   4       0.619   1.337   3.651  1.00  0.00      A       
ATOM     41  HB1 CYS A   4      -1.083   1.726   3.473  1.00  0.00      A       
ATOM     42  N   CYS A   4      -1.601   0.268   1.433  1.00  0.00      A       
ATOM     43  O   CYS A   4       1.606  -0.793   2.264  1.00  0.00      A       
ATOM     44  SG  CYS A   4      -0.771  -0.524   4.220  1.00  0.00      A       
ATOM     45  C   ARG A   5       1.696  -2.449  -1.485  1.00  0.00      A       
ATOM     46  CA  ARG A   5       1.464  -2.276   0.021  1.00  0.00      A       
ATOM     47  CB  ARG A   5       0.760  -3.512   0.586  1.00  0.00      A       
ATOM     48  CD  ARG A   5       0.334  -4.779   2.695  1.00  0.00      A       
ATOM     49  CG  ARG A   5       0.645  -3.400   2.107  1.00  0.00      A       
ATOM     50  CZ  ARG A   5      -1.372  -5.714   1.252  1.00  0.00      A       
ATOM     51  HN  ARG A   5      -0.169  -0.881  -0.256  1.00  0.00      A       
ATOM     52  HA  ARG A   5       2.397  -2.140   0.504  1.00  0.00      A       
ATOM     53  HB2 ARG A   5      -0.228  -3.587   0.156  1.00  0.00      A       
ATOM     54  HB1 ARG A   5       1.328  -4.395   0.335  1.00  0.00      A       
ATOM     55  HD2 ARG A   5       0.979  -5.528   2.256  1.00  0.00      A       
ATOM     56  HD1 ARG A   5       0.446  -4.767   3.768  1.00  0.00      A       
ATOM     57  HE  ARG A   5      -1.809  -4.708   2.907  1.00  0.00      A       
ATOM     58  HG2 ARG A   5       1.577  -3.035   2.513  1.00  0.00      A       
ATOM     59  HG1 ARG A   5      -0.151  -2.715   2.359  1.00  0.00      A       
ATOM     60 HH11 ARG A   5      -0.316  -7.326   1.796  1.00  0.00      A       
ATOM     61 HH12 ARG A   5      -1.114  -7.435   0.263  1.00  0.00      A       
ATOM     62 HH21 ARG A   5      -2.495  -4.261   0.456  1.00  0.00      A       
ATOM     63 HH22 ARG A   5      -2.347  -5.700  -0.496  1.00  0.00      A       
ATOM     64  N   ARG A   5       0.557  -1.129   0.352  1.00  0.00      A       
ATOM     65  NE  ARG A   5      -1.087  -5.041   2.333  1.00  0.00      A       
ATOM     66  NH1 ARG A   5      -0.896  -6.919   1.091  1.00  0.00      A       
ATOM     67  NH2 ARG A   5      -2.130  -5.183   0.332  1.00  0.00      A       
ATOM     68  O   ARG A   5       2.803  -2.703  -1.920  1.00  0.00      A       
ATOM     69  C   GLY A   6       1.629  -1.314  -4.299  1.00  0.00      A       
ATOM     70  CA  GLY A   6       0.860  -2.514  -3.754  1.00  0.00      A       
ATOM     71  HN  GLY A   6      -0.200  -2.136  -1.905  1.00  0.00      A       
ATOM     72  HA2 GLY A   6       1.413  -3.427  -3.944  1.00  0.00      A       
ATOM     73  HA1 GLY A   6      -0.106  -2.572  -4.237  1.00  0.00      A       
ATOM     74  N   GLY A   6       0.678  -2.330  -2.277  1.00  0.00      A       
ATOM     75  O   GLY A   6       2.841  -1.259  -4.222  1.00  0.00      A       
ATOM     76  C   ASP A   7       1.570   1.944  -4.203  1.00  0.00      A       
ATOM     77  CA  ASP A   7       1.646   0.884  -5.304  1.00  0.00      A       
ATOM     78  CB  ASP A   7       0.901   1.316  -6.573  1.00  0.00      A       
ATOM     79  CG  ASP A   7      -0.544   1.688  -6.242  1.00  0.00      A       
ATOM     80  HN  ASP A   7      -0.035  -0.378  -4.826  1.00  0.00      A       
ATOM     81  HA  ASP A   7       2.677   0.655  -5.536  1.00  0.00      A       
ATOM     82  HB2 ASP A   7       1.400   2.170  -7.008  1.00  0.00      A       
ATOM     83  HB1 ASP A   7       0.905   0.502  -7.282  1.00  0.00      A       
ATOM     84  N   ASP A   7       0.941  -0.332  -4.807  1.00  0.00      A       
ATOM     85  O   ASP A   7       1.539   3.133  -4.448  1.00  0.00      A       
ATOM     86  OD1 ASP A   7      -0.773   2.828  -5.873  1.00  0.00      A       
ATOM     87  OD2 ASP A   7      -1.400   0.828  -6.371  1.00  0.00      A       
ATOM     88  C   CYS A   8       2.293   1.691  -0.709  1.00  0.00      A       
ATOM     89  CA  CYS A   8       1.469   2.370  -1.801  1.00  0.00      A       
ATOM     90  CB  CYS A   8      -0.027   2.451  -1.434  1.00  0.00      A       
ATOM     91  HN  CYS A   8       1.573   0.515  -2.828  1.00  0.00      A       
ATOM     92  HA  CYS A   8       1.862   3.345  -2.029  1.00  0.00      A       
ATOM     93  HB2 CYS A   8      -0.130   2.504  -0.361  1.00  0.00      A       
ATOM     94  HB1 CYS A   8      -0.452   3.342  -1.874  1.00  0.00      A       
ATOM     95  N   CYS A   8       1.540   1.482  -2.981  1.00  0.00      A       
ATOM     96  O   CYS A   8       2.634   0.532  -0.847  1.00  0.00      A       
ATOM     97  SG  CYS A   8      -0.928   0.990  -2.049  1.00  0.00      A       
ATOM     98  C   PHE A   9       3.042   1.934   2.803  1.00  0.00      A       
ATOM     99  CA  PHE A   9       3.496   1.654   1.369  1.00  0.00      A       
ATOM    100  CB  PHE A   9       4.924   2.161   1.140  1.00  0.00      A       
ATOM    101  CD1 PHE A   9       4.567   4.481   0.211  1.00  0.00      A       
ATOM    102  CD2 PHE A   9       5.439   4.245   2.460  1.00  0.00      A       
ATOM    103  CE1 PHE A   9       4.622   5.874   0.336  1.00  0.00      A       
ATOM    104  CE2 PHE A   9       5.495   5.638   2.585  1.00  0.00      A       
ATOM    105  CG  PHE A   9       4.976   3.666   1.274  1.00  0.00      A       
ATOM    106  CZ  PHE A   9       5.085   6.453   1.523  1.00  0.00      A       
ATOM    107  HN  PHE A   9       2.416   3.304   0.461  1.00  0.00      A       
ATOM    108  HA  PHE A   9       3.468   0.588   1.187  1.00  0.00      A       
ATOM    109  HB2 PHE A   9       5.582   1.714   1.871  1.00  0.00      A       
ATOM    110  HB1 PHE A   9       5.248   1.878   0.148  1.00  0.00      A       
ATOM    111  HD1 PHE A   9       4.209   4.034  -0.705  1.00  0.00      A       
ATOM    112  HD2 PHE A   9       5.754   3.617   3.281  1.00  0.00      A       
ATOM    113  HE1 PHE A   9       4.306   6.503  -0.484  1.00  0.00      A       
ATOM    114  HE2 PHE A   9       5.853   6.085   3.501  1.00  0.00      A       
ATOM    115  HZ  PHE A   9       5.128   7.528   1.619  1.00  0.00      A       
ATOM    116  N   PHE A   9       2.659   2.361   0.349  1.00  0.00      A       
ATOM    117  O   PHE A   9       2.838   3.062   3.206  1.00  0.00      A       
ATOM    118  C   CYS A  10       3.625   1.446   5.891  1.00  0.00      A       
ATOM    119  CA  CYS A  10       2.453   1.028   4.998  1.00  0.00      A       
ATOM    120  CB  CYS A  10       1.980  -0.374   5.407  1.00  0.00      A       
ATOM    121  HN  CYS A  10       3.047  -0.010   3.190  1.00  0.00      A       
ATOM    122  HA  CYS A  10       1.651   1.733   5.079  1.00  0.00      A       
ATOM    123  HB2 CYS A  10       2.069  -1.043   4.564  1.00  0.00      A       
ATOM    124  HB1 CYS A  10       2.596  -0.739   6.217  1.00  0.00      A       
ATOM    125  N   CYS A  10       2.890   0.885   3.570  1.00  0.00      A       
ATOM    126  O   CYS A  10       3.475   1.610   7.086  1.00  0.00      A       
ATOM    127  SG  CYS A  10       0.254  -0.323   5.944  1.00  0.00      A       
ATOM    128  C   GLY A  11       7.245   1.614   5.441  1.00  0.00      A       
ATOM    129  CA  GLY A  11       5.956   2.044   6.140  1.00  0.00      A       
ATOM    130  HN  GLY A  11       4.877   1.496   4.360  1.00  0.00      A       
ATOM    131  HA2 GLY A  11       5.948   3.117   6.259  1.00  0.00      A       
ATOM    132  HA1 GLY A  11       5.904   1.575   7.111  1.00  0.00      A       
ATOM    133  N   GLY A  11       4.781   1.628   5.323  1.00  0.00      A       
ATOM    134  OT1 GLY A  11       7.796   0.597   5.829  1.00  0.00      A       
ATOM    135  OT2 GLY A  11       7.661   2.310   4.529  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. Sunday, June 23, 2024 8:09:00 PM GMT (wattos1)