NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage program type subtype
380449 1ih9 4993 cing 3-converted-DOCR XPLOR/CNS coordinate ensemble


ATOM      1  C   ACE A   1     -11.573  -1.527  -1.101  1.00  0.00      A       
ATOM      2  CH3 ACE A   1     -12.524  -2.725  -1.115  1.00  0.00      A       
ATOM      3  H1  ACE A   1     -13.576  -2.423  -1.275  1.00  0.00      A       
ATOM      4  H2  ACE A   1     -12.258  -3.435  -1.921  1.00  0.00      A       
ATOM      5  H3  ACE A   1     -12.473  -3.283  -0.160  1.00  0.00      A       
ATOM      6  O   ACE A   1     -10.493  -1.584  -1.691  1.00  0.00      A       
ATOM      7  C   TRP A   2     -10.006   0.393   1.002  1.00  0.00      A       
ATOM      8  CA  TRP A   2     -11.099   0.700  -0.074  1.00  0.00      A       
ATOM      9  CB  TRP A   2     -12.000   1.911   0.298  1.00  0.00      A       
ATOM     10  CD1 TRP A   2     -10.915   4.176  -0.509  1.00  0.00      A       
ATOM     11  CD2 TRP A   2     -10.855   3.826   1.688  1.00  0.00      A       
ATOM     12  CE2 TRP A   2     -10.244   5.070   1.389  1.00  0.00      A       
ATOM     13  CE3 TRP A   2     -10.949   3.378   3.030  1.00  0.00      A       
ATOM     14  CG  TRP A   2     -11.276   3.255   0.498  1.00  0.00      A       
ATOM     15  CH2 TRP A   2      -9.810   5.409   3.745  1.00  0.00      A       
ATOM     16  CZ2 TRP A   2      -9.716   5.872   2.432  1.00  0.00      A       
ATOM     17  CZ3 TRP A   2     -10.420   4.182   4.040  1.00  0.00      A       
ATOM     18  HN  TRP A   2     -12.910  -0.566   0.037  1.00  0.00      A       
ATOM     19  HA  TRP A   2     -10.567   0.974  -1.008  1.00  0.00      A       
ATOM     20  HB2 TRP A   2     -12.761   2.050  -0.492  1.00  0.00      A       
ATOM     21  HB1 TRP A   2     -12.588   1.675   1.207  1.00  0.00      A       
ATOM     22  HD1 TRP A   2     -11.115   4.042  -1.562  1.00  0.00      A       
ATOM     23  HE1 TRP A   2      -9.908   6.129  -0.479  1.00  0.00      A       
ATOM     24  HE3 TRP A   2     -11.420   2.436   3.272  1.00  0.00      A       
ATOM     25  HH2 TRP A   2      -9.406   6.004   4.549  1.00  0.00      A       
ATOM     26  HZ2 TRP A   2      -9.239   6.817   2.219  1.00  0.00      A       
ATOM     27  HZ3 TRP A   2     -10.485   3.852   5.067  1.00  0.00      A       
ATOM     28  N   TRP A   2     -11.978  -0.469  -0.380  1.00  0.00      A       
ATOM     29  NE1 TRP A   2     -10.268   5.309   0.023  1.00  0.00      A       
ATOM     30  O   TRP A   2      -8.849   0.773   0.804  1.00  0.00      A       
ATOM     31  C   ILE A   3      -8.457  -2.041   2.371  1.00  0.00      A       
ATOM     32  CA  ILE A   3      -9.347  -0.933   3.014  1.00  0.00      A       
ATOM     33  CB  ILE A   3      -9.939  -1.410   4.392  1.00  0.00      A       
ATOM     34  CD1 ILE A   3     -11.229  -3.425   5.447  1.00  0.00      A       
ATOM     35  CG1 ILE A   3     -11.120  -2.428   4.282  1.00  0.00      A       
ATOM     36  CG2 ILE A   3     -10.309  -0.223   5.310  1.00  0.00      A       
ATOM     37  HN  ILE A   3     -11.348  -0.566   2.126  1.00  0.00      A       
ATOM     38  HA  ILE A   3      -8.613  -0.134   3.225  1.00  0.00      A       
ATOM     39  HB  ILE A   3      -9.109  -1.925   4.916  1.00  0.00      A       
ATOM     40 HD11 ILE A   3     -11.343  -2.920   6.424  1.00  0.00      A       
ATOM     41 HD12 ILE A   3     -12.103  -4.090   5.317  1.00  0.00      A       
ATOM     42 HD13 ILE A   3     -10.334  -4.074   5.507  1.00  0.00      A       
ATOM     43 HG12 ILE A   3     -12.080  -1.889   4.163  1.00  0.00      A       
ATOM     44 HG11 ILE A   3     -11.027  -3.026   3.358  1.00  0.00      A       
ATOM     45 HG21 ILE A   3     -11.132   0.386   4.892  1.00  0.00      A       
ATOM     46 HG22 ILE A   3     -10.631  -0.564   6.312  1.00  0.00      A       
ATOM     47 HG23 ILE A   3      -9.449   0.455   5.468  1.00  0.00      A       
ATOM     48  N   ILE A   3     -10.355  -0.308   2.102  1.00  0.00      A       
ATOM     49  O   ILE A   3      -7.270  -2.097   2.695  1.00  0.00      A       
ATOM     50  C   GLN A   4      -7.127  -3.149  -0.282  1.00  0.00      A       
ATOM     51  CA  GLN A   4      -8.172  -3.828   0.652  1.00  0.00      A       
ATOM     52  CB  GLN A   4      -9.113  -4.781  -0.139  1.00  0.00      A       
ATOM     53  CD  GLN A   4      -8.572  -7.084   0.989  1.00  0.00      A       
ATOM     54  CG  GLN A   4      -8.596  -6.232  -0.304  1.00  0.00      A       
ATOM     55  HN  GLN A   4      -9.978  -2.714   1.253  1.00  0.00      A       
ATOM     56  HA  GLN A   4      -7.593  -4.435   1.378  1.00  0.00      A       
ATOM     57  HB2 GLN A   4     -10.113  -4.849   0.335  1.00  0.00      A       
ATOM     58  HB1 GLN A   4      -9.333  -4.362  -1.141  1.00  0.00      A       
ATOM     59 HE21 GLN A   4      -7.605  -8.539   0.010  1.00  0.00      A       
ATOM     60 HE22 GLN A   4      -7.974  -8.821   1.784  1.00  0.00      A       
ATOM     61  HG2 GLN A   4      -9.238  -6.750  -1.040  1.00  0.00      A       
ATOM     62  HG1 GLN A   4      -7.589  -6.212  -0.762  1.00  0.00      A       
ATOM     63  N   GLN A   4      -8.990  -2.883   1.462  1.00  0.00      A       
ATOM     64  NE2 GLN A   4      -7.980  -8.263   0.923  1.00  0.00      A       
ATOM     65  O   GLN A   4      -5.998  -3.635  -0.355  1.00  0.00      A       
ATOM     66  OE1 GLN A   4      -9.083  -6.712   2.047  1.00  0.00      A       
ATOM     67  C   Div A   5      -5.413  -0.569  -0.996  1.00  0.00      A       
ATOM     68  CA  Div A   5      -6.614  -1.201  -1.815  1.00  0.00      A       
ATOM     69  CB1 Div A   5      -6.129  -2.067  -3.025  1.00  0.00      A       
ATOM     70  CB2 Div A   5      -7.491  -0.025  -2.348  1.00  0.00      A       
ATOM     71  CG1 Div A   5      -7.117  -2.522  -4.119  1.00  0.00      A       
ATOM     72  H2  Div A   5      -8.416  -1.682  -0.715  1.00  0.00      A       
ATOM     73 HB11 Div A   5      -5.333  -1.496  -3.485  1.00  0.00      A       
ATOM     74 HB12 Div A   5      -5.606  -2.971  -2.671  1.00  0.00      A       
ATOM     75 HB21 Div A   5      -7.894   0.609  -1.538  1.00  0.00      A       
ATOM     76 HB22 Div A   5      -6.917   0.644  -3.017  1.00  0.00      A       
ATOM     77 HB23 Div A   5      -8.371  -0.369  -2.922  1.00  0.00      A       
ATOM     78 HG11 Div A   5      -7.563  -1.668  -4.659  1.00  0.00      A       
ATOM     79 HG12 Div A   5      -6.603  -3.143  -4.876  1.00  0.00      A       
ATOM     80 HG13 Div A   5      -7.944  -3.124  -3.700  1.00  0.00      A       
ATOM     81  N   Div A   5      -7.501  -2.041  -0.969  1.00  0.00      A       
ATOM     82  O   Div A   5      -4.248  -0.724  -1.377  1.00  0.00      A       
ATOM     83  C   ILE A   6      -3.793  -0.530   1.763  1.00  0.00      A       
ATOM     84  CA  ILE A   6      -4.618   0.621   1.075  1.00  0.00      A       
ATOM     85  CB  ILE A   6      -5.190   1.702   2.071  1.00  0.00      A       
ATOM     86  CD1 ILE A   6      -6.710   3.850   2.173  1.00  0.00      A       
ATOM     87  CG1 ILE A   6      -5.814   2.930   1.330  1.00  0.00      A       
ATOM     88  CG2 ILE A   6      -4.134   2.224   3.090  1.00  0.00      A       
ATOM     89  HN  ILE A   6      -6.679   0.185   0.377  1.00  0.00      A       
ATOM     90  HA  ILE A   6      -3.885   1.158   0.439  1.00  0.00      A       
ATOM     91  HB  ILE A   6      -5.989   1.213   2.662  1.00  0.00      A       
ATOM     92 HD11 ILE A   6      -6.164   4.338   2.999  1.00  0.00      A       
ATOM     93 HD12 ILE A   6      -7.129   4.660   1.550  1.00  0.00      A       
ATOM     94 HD13 ILE A   6      -7.562   3.301   2.611  1.00  0.00      A       
ATOM     95 HG12 ILE A   6      -5.017   3.531   0.853  1.00  0.00      A       
ATOM     96 HG11 ILE A   6      -6.442   2.589   0.487  1.00  0.00      A       
ATOM     97 HG21 ILE A   6      -3.245   2.654   2.589  1.00  0.00      A       
ATOM     98 HG22 ILE A   6      -4.539   3.001   3.763  1.00  0.00      A       
ATOM     99 HG23 ILE A   6      -3.775   1.419   3.757  1.00  0.00      A       
ATOM    100  N   ILE A   6      -5.682   0.110   0.148  1.00  0.00      A       
ATOM    101  O   ILE A   6      -2.627  -0.291   2.078  1.00  0.00      A       
ATOM    102  C   THR A   7      -2.561  -3.471   1.311  1.00  0.00      A       
ATOM    103  CA  THR A   7      -3.563  -2.950   2.383  1.00  0.00      A       
ATOM    104  CB  THR A   7      -4.514  -4.030   2.980  1.00  0.00      A       
ATOM    105  CG2 THR A   7      -3.832  -5.320   3.477  1.00  0.00      A       
ATOM    106  HN  THR A   7      -5.318  -1.825   1.662  1.00  0.00      A       
ATOM    107  HA  THR A   7      -2.929  -2.618   3.214  1.00  0.00      A       
ATOM    108  HB  THR A   7      -5.257  -4.319   2.214  1.00  0.00      A       
ATOM    109  HG1 THR A   7      -5.576  -2.651   3.793  1.00  0.00      A       
ATOM    110 HG21 THR A   7      -4.562  -5.982   3.980  1.00  0.00      A       
ATOM    111 HG22 THR A   7      -3.394  -5.899   2.642  1.00  0.00      A       
ATOM    112 HG23 THR A   7      -3.022  -5.110   4.201  1.00  0.00      A       
ATOM    113  N   THR A   7      -4.339  -1.752   1.955  1.00  0.00      A       
ATOM    114  O   THR A   7      -1.393  -3.633   1.663  1.00  0.00      A       
ATOM    115  OG1 THR A   7      -5.210  -3.485   4.096  1.00  0.00      A       
ATOM    116  C   ABA A   8      -0.872  -2.915  -1.301  1.00  0.00      A       
ATOM    117  CA  ABA A   8      -2.014  -3.998  -1.094  1.00  0.00      A       
ATOM    118  N   ABA A   8      -2.967  -3.701   0.040  1.00  0.00      A       
ATOM    119  O   ABA A   8       0.289  -3.239  -1.575  1.00  0.00      A       
ATOM    120  C   LEU A   9       0.537  -0.164   0.063  1.00  0.00      A       
ATOM    121  CA  LEU A   9      -0.276  -0.479  -1.240  1.00  0.00      A       
ATOM    122  CB  LEU A   9      -1.083   0.742  -1.767  1.00  0.00      A       
ATOM    123  CD1 LEU A   9      -2.692   1.524  -3.632  1.00  0.00      A       
ATOM    124  CD2 LEU A   9      -0.249   1.131  -4.161  1.00  0.00      A       
ATOM    125  CG  LEU A   9      -1.441   0.694  -3.286  1.00  0.00      A       
ATOM    126  HN  LEU A   9      -2.200  -1.483  -0.870  1.00  0.00      A       
ATOM    127  HA  LEU A   9       0.486  -0.695  -2.010  1.00  0.00      A       
ATOM    128  HB2 LEU A   9      -1.999   0.858  -1.156  1.00  0.00      A       
ATOM    129  HB1 LEU A   9      -0.518   1.670  -1.569  1.00  0.00      A       
ATOM    130 HD11 LEU A   9      -2.575   2.593  -3.372  1.00  0.00      A       
ATOM    131 HD12 LEU A   9      -2.927   1.470  -4.712  1.00  0.00      A       
ATOM    132 HD13 LEU A   9      -3.590   1.153  -3.102  1.00  0.00      A       
ATOM    133 HD21 LEU A   9       0.651   0.521  -3.967  1.00  0.00      A       
ATOM    134 HD22 LEU A   9      -0.470   1.033  -5.242  1.00  0.00      A       
ATOM    135 HD23 LEU A   9       0.030   2.185  -3.974  1.00  0.00      A       
ATOM    136  HG  LEU A   9      -1.690  -0.346  -3.559  1.00  0.00      A       
ATOM    137  N   LEU A   9      -1.225  -1.624  -1.159  1.00  0.00      A       
ATOM    138  O   LEU A   9       1.511   0.588  -0.040  1.00  0.00      A       
ATOM    139  C   ABA A  10       2.444  -1.178   2.392  1.00  0.00      A       
ATOM    140  CA  ABA A  10       0.968  -0.602   2.532  1.00  0.00      A       
ATOM    141  N   ABA A  10       0.188  -0.723   1.254  1.00  0.00      A       
ATOM    142  O   ABA A  10       3.373  -0.412   2.657  1.00  0.00      A       
ATOM    143  C   HYP A  11       4.739  -2.126   0.228  1.00  0.00      A       
ATOM    144  CA  HYP A  11       4.136  -2.824   1.495  1.00  0.00      A       
ATOM    145  CB  HYP A  11       4.025  -4.352   1.330  1.00  0.00      A       
ATOM    146  CD2 HYP A  11       1.804  -3.543   1.766  1.00  0.00      A       
ATOM    147  CG  HYP A  11       2.562  -4.616   0.981  1.00  0.00      A       
ATOM    148  HA  HYP A  11       4.834  -2.632   2.329  1.00  0.00      A       
ATOM    149  HB2 HYP A  11       4.714  -4.771   0.574  1.00  0.00      A       
ATOM    150  HB3 HYP A  11       4.278  -4.855   2.282  1.00  0.00      A       
ATOM    151  HD1 HYP A  11       1.296  -5.822   1.787  1.00  0.00      A       
ATOM    152 HD22 HYP A  11       0.909  -3.245   1.208  1.00  0.00      A       
ATOM    153 HD23 HYP A  11       1.500  -3.921   2.763  1.00  0.00      A       
ATOM    154  HG  HYP A  11       2.400  -4.480  -0.107  1.00  0.00      A       
ATOM    155  N   HYP A  11       2.762  -2.436   1.926  1.00  0.00      A       
ATOM    156  O   HYP A  11       5.939  -2.307  -0.009  1.00  0.00      A       
ATOM    157  OD1 HYP A  11       2.158  -5.920   1.375  1.00  0.00      A       
ATOM    158  C   GLN A  12       4.812   1.082  -1.093  1.00  0.00      A       
ATOM    159  CA  GLN A  12       4.546  -0.384  -1.560  1.00  0.00      A       
ATOM    160  CB  GLN A  12       3.648  -0.391  -2.828  1.00  0.00      A       
ATOM    161  CD  GLN A  12       2.673  -1.699  -4.815  1.00  0.00      A       
ATOM    162  CG  GLN A  12       3.342  -1.778  -3.429  1.00  0.00      A       
ATOM    163  HN  GLN A  12       3.033  -1.116  -0.194  1.00  0.00      A       
ATOM    164  HA  GLN A  12       5.543  -0.756  -1.842  1.00  0.00      A       
ATOM    165  HB2 GLN A  12       2.693   0.127  -2.620  1.00  0.00      A       
ATOM    166  HB1 GLN A  12       4.143   0.226  -3.596  1.00  0.00      A       
ATOM    167 HE21 GLN A  12       1.082  -2.720  -4.147  1.00  0.00      A       
ATOM    168 HE22 GLN A  12       1.084  -2.183  -5.911  1.00  0.00      A       
ATOM    169  HG2 GLN A  12       4.280  -2.361  -3.500  1.00  0.00      A       
ATOM    170  HG1 GLN A  12       2.708  -2.322  -2.694  1.00  0.00      A       
ATOM    171  N   GLN A  12       3.982  -1.295  -0.524  1.00  0.00      A       
ATOM    172  NE2 GLN A  12       1.484  -2.252  -4.969  1.00  0.00      A       
ATOM    173  O   GLN A  12       5.084   1.919  -1.955  1.00  0.00      A       
ATOM    174  OE1 GLN A  12       3.220  -1.149  -5.768  1.00  0.00      A       
ATOM    175  C   ABA A  13       7.099   1.932   1.113  1.00  0.00      A       
ATOM    176  CA  ABA A  13       5.604   2.469   0.885  1.00  0.00      A       
ATOM    177  N   ABA A  13       4.801   1.388   0.227  1.00  0.00      A       
ATOM    178  O   ABA A  13       8.029   2.488   0.506  1.00  0.00      A       
ATOM    179  C   HYP A  14       9.525  -0.269   0.815  1.00  0.00      A       
ATOM    180  CA  HYP A  14       8.811   0.338   2.060  1.00  0.00      A       
ATOM    181  CB  HYP A  14       8.722  -0.679   3.217  1.00  0.00      A       
ATOM    182  CD2 HYP A  14       6.461   0.018   2.624  1.00  0.00      A       
ATOM    183  CG  HYP A  14       7.246  -1.025   3.418  1.00  0.00      A       
ATOM    184  HA  HYP A  14       9.434   1.180   2.418  1.00  0.00      A       
ATOM    185  HB2 HYP A  14       9.302  -1.601   3.014  1.00  0.00      A       
ATOM    186  HB3 HYP A  14       9.151  -0.241   4.140  1.00  0.00      A       
ATOM    187  HD1 HYP A  14       7.105  -0.087   5.088  1.00  0.00      A       
ATOM    188 HD22 HYP A  14       5.792  -0.479   1.915  1.00  0.00      A       
ATOM    189 HD23 HYP A  14       5.835   0.618   3.285  1.00  0.00      A       
ATOM    190  HG  HYP A  14       7.034  -2.038   3.029  1.00  0.00      A       
ATOM    191  N   HYP A  14       7.426   0.846   1.896  1.00  0.00      A       
ATOM    192  O   HYP A  14      10.732  -0.048   0.701  1.00  0.00      A       
ATOM    193  OD1 HYP A  14       6.897  -0.978   4.797  1.00  0.00      A       
ATOM    194  C   ABA A  15      10.131  -0.576  -2.270  1.00  0.00      A       
ATOM    195  CA  ABA A  15       9.471  -1.647  -1.299  1.00  0.00      A       
ATOM    196  N   ABA A  15       8.845  -1.037  -0.080  1.00  0.00      A       
ATOM    197  O   ABA A  15      11.300  -0.770  -2.631  1.00  0.00      A       
ATOM    198  C   PRO A  16      11.213   2.518  -2.272  1.00  0.00      A       
ATOM    199  CA  PRO A  16      10.280   1.734  -3.238  1.00  0.00      A       
ATOM    200  CB  PRO A  16       9.191   2.609  -3.885  1.00  0.00      A       
ATOM    201  CD  PRO A  16       8.102   0.922  -2.469  1.00  0.00      A       
ATOM    202  CG  PRO A  16       7.915   2.309  -3.102  1.00  0.00      A       
ATOM    203  HA  PRO A  16      10.937   1.352  -4.023  1.00  0.00      A       
ATOM    204  HB2 PRO A  16       9.432   3.688  -3.880  1.00  0.00      A       
ATOM    205  HB1 PRO A  16       9.053   2.331  -4.947  1.00  0.00      A       
ATOM    206  HD2 PRO A  16       7.851   0.970  -1.401  1.00  0.00      A       
ATOM    207  HD1 PRO A  16       7.433   0.157  -2.892  1.00  0.00      A       
ATOM    208  HG2 PRO A  16       7.789   3.066  -2.307  1.00  0.00      A       
ATOM    209  HG1 PRO A  16       7.017   2.369  -3.742  1.00  0.00      A       
ATOM    210  N   PRO A  16       9.520   0.587  -2.677  1.00  0.00      A       
ATOM    211  O   PRO A  16      12.200   3.082  -2.750  1.00  0.00      A       
ATOM    212  C   PHL A  17      12.084   2.795   1.234  1.00  0.00      A       
ATOM    213  CA  PHL A  17      11.585   3.523  -0.032  1.00  0.00      A       
ATOM    214  CB  PHL A  17      10.622   4.686   0.331  1.00  0.00      A       
ATOM    215  CD1 PHL A  17       8.761   5.654  -1.119  1.00  0.00      A       
ATOM    216  CD2 PHL A  17      11.040   6.223  -1.679  1.00  0.00      A       
ATOM    217  CE1 PHL A  17       8.310   6.382  -2.216  1.00  0.00      A       
ATOM    218  CE2 PHL A  17      10.588   6.948  -2.778  1.00  0.00      A       
ATOM    219  CG  PHL A  17      10.129   5.565  -0.842  1.00  0.00      A       
ATOM    220  CZ  PHL A  17       9.223   7.032  -3.042  1.00  0.00      A       
ATOM    221  H2  PHL A  17      10.006   2.120  -0.730  1.00  0.00      A       
ATOM    222  HA  PHL A  17      12.485   3.971  -0.500  1.00  0.00      A       
ATOM    223  HB2 PHL A  17       9.764   4.247   0.873  1.00  0.00      A       
ATOM    224  HB3 PHL A  17      11.118   5.348   1.066  1.00  0.00      A       
ATOM    225  HC1 PHL A  17      11.251   2.314   1.773  1.00  0.00      A       
ATOM    226  HC2 PHL A  17      12.524   3.523   1.944  1.00  0.00      A       
ATOM    227  HD1 PHL A  17       8.045   5.141  -0.496  1.00  0.00      A       
ATOM    228  HD2 PHL A  17      12.103   6.140  -1.503  1.00  0.00      A       
ATOM    229  HE1 PHL A  17       7.253   6.435  -2.429  1.00  0.00      A       
ATOM    230  HE2 PHL A  17      11.295   7.438  -3.429  1.00  0.00      A       
ATOM    231  HO  PHL A  17      13.390   1.489   1.761  1.00  0.00      A       
ATOM    232  HZ  PHL A  17       8.873   7.599  -3.892  1.00  0.00      A       
ATOM    233  N   PHL A  17      10.896   2.589  -0.965  1.00  0.00      A       
ATOM    234  O   PHL A  17      13.074   1.825   0.919  1.00  0.00      A       
END


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