NMR Restraints Grid

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

image mrblock_id pdb_id cing stage program type subtype
481889 1i93 cing 3-converted-DOCR XPLOR/CNS coordinate ensemble


ATOM      1  C   ACE A   1      14.579  32.185 -11.577  1.00  0.00      A       
ATOM      2  CH3 ACE A   1      15.990  31.963 -12.126  1.00  0.00      A       
ATOM      3  H1  ACE A   1      15.932  31.712 -13.176  1.00  0.00      A       
ATOM      4  H2  ACE A   1      16.463  31.156 -11.588  1.00  0.00      A       
ATOM      5  H3  ACE A   1      16.569  32.865 -12.003  1.00  0.00      A       
ATOM      6  O   ACE A   1      13.865  31.246 -11.282  1.00  0.00      A       
ATOM      7  C   CYS A   2      11.765  33.618 -12.035  1.00  0.00      A       
ATOM      8  CA  CYS A   2      12.805  33.704 -10.912  1.00  0.00      A       
ATOM      9  CB  CYS A   2      12.883  35.131 -10.367  1.00  0.00      A       
ATOM     10  HN  CYS A   2      14.764  34.159 -11.687  1.00  0.00      A       
ATOM     11  HA  CYS A   2      12.558  33.019 -10.116  1.00  0.00      A       
ATOM     12  HB2 CYS A   2      13.855  35.295  -9.925  1.00  0.00      A       
ATOM     13  HB1 CYS A   2      12.731  35.832 -11.174  1.00  0.00      A       
ATOM     14  N   CYS A   2      14.172  33.419 -11.441  1.00  0.00      A       
ATOM     15  O   CYS A   2      10.852  34.417 -12.103  1.00  0.00      A       
ATOM     16  SG  CYS A   2      11.601  35.368  -9.111  1.00  0.00      A       
ATOM     17  C   HIS A   3      10.439  31.064 -14.145  1.00  0.00      A       
ATOM     18  CA  HIS A   3      10.911  32.519 -14.031  1.00  0.00      A       
ATOM     19  CB  HIS A   3      11.671  32.944 -15.293  1.00  0.00      A       
ATOM     20  CD2 HIS A   3      14.122  32.072 -14.910  1.00  0.00      A       
ATOM     21  CE1 HIS A   3      14.106  30.450 -16.346  1.00  0.00      A       
ATOM     22  CG  HIS A   3      12.879  32.067 -15.492  1.00  0.00      A       
ATOM     23  HN  HIS A   3      12.637  32.026 -12.841  1.00  0.00      A       
ATOM     24  HA  HIS A   3      10.065  33.174 -13.876  1.00  0.00      A       
ATOM     25  HB2 HIS A   3      11.020  32.852 -16.148  1.00  0.00      A       
ATOM     26  HB1 HIS A   3      11.986  33.971 -15.192  1.00  0.00      A       
ATOM     27  HD1 HIS A   3      12.150  30.753 -16.985  1.00  0.00      A       
ATOM     28  HD2 HIS A   3      14.451  32.766 -14.150  1.00  0.00      A       
ATOM     29  HE1 HIS A   3      14.407  29.607 -16.950  1.00  0.00      A       
ATOM     30  N   HIS A   3      11.895  32.658 -12.914  1.00  0.00      A       
ATOM     31  ND1 HIS A   3      12.891  31.024 -16.404  1.00  0.00      A       
ATOM     32  NE2 HIS A   3      14.896  31.050 -15.451  1.00  0.00      A       
ATOM     33  O   HIS A   3      10.771  30.369 -15.084  1.00  0.00      A       
ATOM     34  C   TRP A   4       7.623  29.190 -13.226  1.00  0.00      A       
ATOM     35  CA  TRP A   4       9.151  29.194 -13.255  1.00  0.00      A       
ATOM     36  CB  TRP A   4       9.721  28.519 -12.000  1.00  0.00      A       
ATOM     37  CD1 TRP A   4       8.646  26.491 -10.931  1.00  0.00      A       
ATOM     38  CD2 TRP A   4       9.495  26.046 -12.965  1.00  0.00      A       
ATOM     39  CE2 TRP A   4       8.928  24.840 -12.489  1.00  0.00      A       
ATOM     40  CE3 TRP A   4      10.099  26.039 -14.231  1.00  0.00      A       
ATOM     41  CG  TRP A   4       9.302  27.081 -11.958  1.00  0.00      A       
ATOM     42  CH2 TRP A   4       9.568  23.679 -14.505  1.00  0.00      A       
ATOM     43  CZ2 TRP A   4       8.961  23.668 -13.246  1.00  0.00      A       
ATOM     44  CZ3 TRP A   4      10.136  24.862 -14.996  1.00  0.00      A       
ATOM     45  HN  TRP A   4       9.396  31.188 -12.458  1.00  0.00      A       
ATOM     46  HA  TRP A   4       9.506  28.689 -14.144  1.00  0.00      A       
ATOM     47  HB2 TRP A   4      10.799  28.578 -12.018  1.00  0.00      A       
ATOM     48  HB1 TRP A   4       9.350  29.026 -11.121  1.00  0.00      A       
ATOM     49  HD1 TRP A   4       8.345  26.978 -10.016  1.00  0.00      A       
ATOM     50  HE1 TRP A   4       7.963  24.515 -10.673  1.00  0.00      A       
ATOM     51  HE3 TRP A   4      10.534  26.947 -14.620  1.00  0.00      A       
ATOM     52  HH2 TRP A   4       9.599  22.777 -15.098  1.00  0.00      A       
ATOM     53  HZ2 TRP A   4       8.523  22.759 -12.862  1.00  0.00      A       
ATOM     54  HZ3 TRP A   4      10.604  24.870 -15.969  1.00  0.00      A       
ATOM     55  N   TRP A   4       9.657  30.605 -13.202  1.00  0.00      A       
ATOM     56  NE1 TRP A   4       8.422  25.162 -11.247  1.00  0.00      A       
ATOM     57  O   TRP A   4       7.006  28.505 -12.433  1.00  0.00      A       
ATOM     58  C   LEU A   5       5.006  29.528 -15.502  1.00  0.00      A       
ATOM     59  CA  LEU A   5       5.522  29.989 -14.134  1.00  0.00      A       
ATOM     60  CB  LEU A   5       5.157  31.455 -13.889  1.00  0.00      A       
ATOM     61  CD1 LEU A   5       5.530  33.409 -12.379  1.00  0.00      A       
ATOM     62  CD2 LEU A   5       4.846  31.205 -11.425  1.00  0.00      A       
ATOM     63  CG  LEU A   5       5.670  31.892 -12.516  1.00  0.00      A       
ATOM     64  HN  LEU A   5       7.531  30.482 -14.730  1.00  0.00      A       
ATOM     65  HA  LEU A   5       5.114  29.372 -13.352  1.00  0.00      A       
ATOM     66  HB2 LEU A   5       5.608  32.070 -14.656  1.00  0.00      A       
ATOM     67  HB1 LEU A   5       4.084  31.568 -13.923  1.00  0.00      A       
ATOM     68 HD11 LEU A   5       4.492  33.661 -12.218  1.00  0.00      A       
ATOM     69 HD12 LEU A   5       5.880  33.887 -13.282  1.00  0.00      A       
ATOM     70 HD13 LEU A   5       6.118  33.751 -11.540  1.00  0.00      A       
ATOM     71 HD21 LEU A   5       3.794  31.335 -11.633  1.00  0.00      A       
ATOM     72 HD22 LEU A   5       5.080  31.645 -10.467  1.00  0.00      A       
ATOM     73 HD23 LEU A   5       5.082  30.152 -11.405  1.00  0.00      A       
ATOM     74  HG  LEU A   5       6.710  31.615 -12.415  1.00  0.00      A       
ATOM     75  N   LEU A   5       7.010  29.947 -14.096  1.00  0.00      A       
ATOM     76  O   LEU A   5       4.233  30.210 -16.144  1.00  0.00      A       
ATOM     77  C   ARG A   6       5.141  28.910 -18.381  1.00  0.00      A       
ATOM     78  CA  ARG A   6       4.963  27.860 -17.276  1.00  0.00      A       
ATOM     79  CB  ARG A   6       3.478  27.543 -17.081  1.00  0.00      A       
ATOM     80  CD  ARG A   6       3.712  25.598 -15.535  1.00  0.00      A       
ATOM     81  CG  ARG A   6       3.292  26.032 -16.940  1.00  0.00      A       
ATOM     82  CZ  ARG A   6       4.113  23.220 -15.340  1.00  0.00      A       
ATOM     83  HN  ARG A   6       6.052  27.845 -15.414  1.00  0.00      A       
ATOM     84  HA  ARG A   6       5.495  26.959 -17.531  1.00  0.00      A       
ATOM     85  HB2 ARG A   6       3.119  28.036 -16.189  1.00  0.00      A       
ATOM     86  HB1 ARG A   6       2.919  27.894 -17.935  1.00  0.00      A       
ATOM     87  HD2 ARG A   6       4.788  25.650 -15.433  1.00  0.00      A       
ATOM     88  HD1 ARG A   6       3.232  26.214 -14.791  1.00  0.00      A       
ATOM     89  HE  ARG A   6       2.285  23.993 -15.388  1.00  0.00      A       
ATOM     90  HG2 ARG A   6       2.254  25.781 -17.101  1.00  0.00      A       
ATOM     91  HG1 ARG A   6       3.904  25.524 -17.670  1.00  0.00      A       
ATOM     92 HH11 ARG A   6       5.288  24.169 -14.026  1.00  0.00      A       
ATOM     93 HH12 ARG A   6       5.822  22.594 -14.507  1.00  0.00      A       
ATOM     94 HH21 ARG A   6       3.141  22.049 -16.640  1.00  0.00      A       
ATOM     95 HH22 ARG A   6       4.605  21.392 -15.989  1.00  0.00      A       
ATOM     96  N   ARG A   6       5.428  28.376 -15.950  1.00  0.00      A       
ATOM     97  NE  ARG A   6       3.244  24.191 -15.413  1.00  0.00      A       
ATOM     98  NH1 ARG A   6       5.155  23.337 -14.564  1.00  0.00      A       
ATOM     99  NH2 ARG A   6       3.939  22.136 -16.044  1.00  0.00      A       
ATOM    100  O   ARG A   6       4.466  28.873 -19.392  1.00  0.00      A       
ATOM    101  C   GLY A   7       5.262  32.032 -19.058  1.00  0.00      A       
ATOM    102  CA  GLY A   7       6.253  30.881 -19.253  1.00  0.00      A       
ATOM    103  HN  GLY A   7       6.578  29.853 -17.385  1.00  0.00      A       
ATOM    104  HA2 GLY A   7       7.263  31.258 -19.184  1.00  0.00      A       
ATOM    105  HA1 GLY A   7       6.100  30.443 -20.227  1.00  0.00      A       
ATOM    106  N   GLY A   7       6.040  29.840 -18.203  1.00  0.00      A       
ATOM    107  O   GLY A   7       4.929  32.740 -19.989  1.00  0.00      A       
ATOM    108  C   ASP A   8       4.606  34.641 -17.333  1.00  0.00      A       
ATOM    109  CA  ASP A   8       3.837  33.343 -17.590  1.00  0.00      A       
ATOM    110  CB  ASP A   8       3.058  32.885 -16.352  1.00  0.00      A       
ATOM    111  CG  ASP A   8       2.091  31.768 -16.751  1.00  0.00      A       
ATOM    112  HN  ASP A   8       5.088  31.652 -17.118  1.00  0.00      A       
ATOM    113  HA  ASP A   8       3.163  33.476 -18.415  1.00  0.00      A       
ATOM    114  HB2 ASP A   8       3.748  32.517 -15.609  1.00  0.00      A       
ATOM    115  HB1 ASP A   8       2.497  33.711 -15.946  1.00  0.00      A       
ATOM    116  N   ASP A   8       4.798  32.231 -17.855  1.00  0.00      A       
ATOM    117  O   ASP A   8       5.679  34.852 -17.863  1.00  0.00      A       
ATOM    118  OD1 ASP A   8       2.433  31.004 -17.640  1.00  0.00      A       
ATOM    119  OD2 ASP A   8       1.025  31.695 -16.164  1.00  0.00      A       
ATOM    120  C   MET A   9       5.915  36.583 -15.294  1.00  0.00      A       
ATOM    121  CA  MET A   9       4.752  36.808 -16.262  1.00  0.00      A       
ATOM    122  CB  MET A   9       3.685  37.700 -15.626  1.00  0.00      A       
ATOM    123  CE  MET A   9       2.324  40.326 -15.161  1.00  0.00      A       
ATOM    124  CG  MET A   9       2.670  38.115 -16.691  1.00  0.00      A       
ATOM    125  HN  MET A   9       3.190  35.327 -16.143  1.00  0.00      A       
ATOM    126  HA  MET A   9       5.106  37.252 -17.180  1.00  0.00      A       
ATOM    127  HB2 MET A   9       3.182  37.157 -14.839  1.00  0.00      A       
ATOM    128  HB1 MET A   9       4.153  38.582 -15.214  1.00  0.00      A       
ATOM    129  HE1 MET A   9       2.774  39.953 -14.252  1.00  0.00      A       
ATOM    130  HE2 MET A   9       1.704  41.177 -14.930  1.00  0.00      A       
ATOM    131  HE3 MET A   9       3.098  40.625 -15.856  1.00  0.00      A       
ATOM    132  HG2 MET A   9       3.154  38.747 -17.422  1.00  0.00      A       
ATOM    133  HG1 MET A   9       2.279  37.235 -17.179  1.00  0.00      A       
ATOM    134  N   MET A   9       4.060  35.514 -16.540  1.00  0.00      A       
ATOM    135  O   MET A   9       5.792  36.755 -14.096  1.00  0.00      A       
ATOM    136  SD  MET A   9       1.315  39.025 -15.911  1.00  0.00      A       
ATOM    137  C   ARG A  10       9.018  37.246 -14.755  1.00  0.00      A       
ATOM    138  CA  ARG A  10       8.240  35.949 -14.968  1.00  0.00      A       
ATOM    139  CB  ARG A  10       9.085  34.936 -15.747  1.00  0.00      A       
ATOM    140  CD  ARG A  10      10.633  34.726 -17.701  1.00  0.00      A       
ATOM    141  CG  ARG A  10       9.449  35.504 -17.123  1.00  0.00      A       
ATOM    142  CZ  ARG A  10      10.387  34.839 -20.105  1.00  0.00      A       
ATOM    143  HN  ARG A  10       7.105  36.074 -16.786  1.00  0.00      A       
ATOM    144  HA  ARG A  10       7.944  35.529 -14.021  1.00  0.00      A       
ATOM    145  HB2 ARG A  10       9.988  34.726 -15.195  1.00  0.00      A       
ATOM    146  HB1 ARG A  10       8.523  34.023 -15.875  1.00  0.00      A       
ATOM    147  HD2 ARG A  10      11.495  34.820 -17.054  1.00  0.00      A       
ATOM    148  HD1 ARG A  10      10.371  33.688 -17.832  1.00  0.00      A       
ATOM    149  HE  ARG A  10      11.458  36.159 -19.079  1.00  0.00      A       
ATOM    150  HG2 ARG A  10       8.602  35.411 -17.787  1.00  0.00      A       
ATOM    151  HG1 ARG A  10       9.719  36.545 -17.026  1.00  0.00      A       
ATOM    152 HH11 ARG A  10       8.605  35.717 -19.866  1.00  0.00      A       
ATOM    153 HH12 ARG A  10       8.764  34.714 -21.269  1.00  0.00      A       
ATOM    154 HH21 ARG A  10      12.050  33.837 -20.594  1.00  0.00      A       
ATOM    155 HH22 ARG A  10      10.715  33.649 -21.681  1.00  0.00      A       
ATOM    156  N   ARG A  10       7.044  36.196 -15.821  1.00  0.00      A       
ATOM    157  NE  ARG A  10      10.899  35.356 -19.022  1.00  0.00      A       
ATOM    158  NH1 ARG A  10       9.156  35.111 -20.439  1.00  0.00      A       
ATOM    159  NH2 ARG A  10      11.107  34.047 -20.852  1.00  0.00      A       
ATOM    160  O   ARG A  10      10.207  37.318 -15.002  1.00  0.00      A       
ATOM    161  C   ARG A  11       9.847  39.501 -12.759  1.00  0.00      A       
ATOM    162  CA  ARG A  11       9.054  39.566 -14.067  1.00  0.00      A       
ATOM    163  CB  ARG A  11       7.943  40.613 -13.973  1.00  0.00      A       
ATOM    164  CD  ARG A  11       6.468  42.125 -15.306  1.00  0.00      A       
ATOM    165  CG  ARG A  11       7.418  40.928 -15.375  1.00  0.00      A       
ATOM    166  CZ  ARG A  11       6.964  43.540 -17.207  1.00  0.00      A       
ATOM    167  HN  ARG A  11       7.397  38.184 -14.114  1.00  0.00      A       
ATOM    168  HA  ARG A  11       9.709  39.792 -14.892  1.00  0.00      A       
ATOM    169  HB2 ARG A  11       7.138  40.231 -13.363  1.00  0.00      A       
ATOM    170  HB1 ARG A  11       8.336  41.515 -13.528  1.00  0.00      A       
ATOM    171  HD2 ARG A  11       5.525  41.831 -14.865  1.00  0.00      A       
ATOM    172  HD1 ARG A  11       6.915  42.928 -14.741  1.00  0.00      A       
ATOM    173  HE  ARG A  11       5.629  42.073 -17.289  1.00  0.00      A       
ATOM    174  HG2 ARG A  11       8.248  41.162 -16.026  1.00  0.00      A       
ATOM    175  HG1 ARG A  11       6.886  40.071 -15.761  1.00  0.00      A       
ATOM    176 HH11 ARG A  11       8.532  42.405 -17.717  1.00  0.00      A       
ATOM    177 HH12 ARG A  11       8.679  44.093 -18.078  1.00  0.00      A       
ATOM    178 HH21 ARG A  11       5.557  44.908 -16.810  1.00  0.00      A       
ATOM    179 HH22 ARG A  11       6.995  45.510 -17.564  1.00  0.00      A       
ATOM    180  N   ARG A  11       8.355  38.269 -14.299  1.00  0.00      A       
ATOM    181  NE  ARG A  11       6.274  42.544 -16.722  1.00  0.00      A       
ATOM    182  NH1 ARG A  11       8.151  43.330 -17.707  1.00  0.00      A       
ATOM    183  NH2 ARG A  11       6.466  44.746 -17.193  1.00  0.00      A       
ATOM    184  O   ARG A  11      11.040  39.733 -12.735  1.00  0.00      A       
ATOM    185  C   CYS A  12      10.635  40.406 -10.060  1.00  0.00      A       
ATOM    186  CA  CYS A  12       9.912  39.090 -10.362  1.00  0.00      A       
ATOM    187  CB  CYS A  12      10.920  37.950 -10.534  1.00  0.00      A       
ATOM    188  HN  CYS A  12       8.235  38.991 -11.715  1.00  0.00      A       
ATOM    189  HA  CYS A  12       9.220  38.852  -9.572  1.00  0.00      A       
ATOM    190  HB2 CYS A  12      10.454  37.135 -11.067  1.00  0.00      A       
ATOM    191  HB1 CYS A  12      11.772  38.306 -11.095  1.00  0.00      A       
ATOM    192  N   CYS A  12       9.196  39.179 -11.671  1.00  0.00      A       
ATOM    193  O   CYS A  12      11.817  40.539 -10.308  1.00  0.00      A       
ATOM    194  SG  CYS A  12      11.468  37.374  -8.908  1.00  0.00      A       
ATOM    195  HN1 NH2 A  13       9.014  41.289  -9.331  1.00  0.00      A       
ATOM    196  HN2 NH2 A  13      10.418  42.242  -9.338  1.00  0.00      A       
ATOM    197  N   NH2 A  13       9.967  41.394  -9.532  1.00  0.00      A       
END


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