NMR Restraints Grid

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

image mrblock_id pdb_id cing stage program type subtype
374447 1egs cing 3-converted-DOCR XPLOR/CNS coordinate ensemble


ATOM      1  C   ACE A   1       3.219  -4.684   2.796  1.00  0.00      A       
ATOM      2  CH3 ACE A   1       2.611  -6.035   3.134  1.00  0.00      A       
ATOM      3  H1  ACE A   1       1.665  -6.191   2.584  1.00  0.00      A       
ATOM      4  H2  ACE A   1       2.393  -6.110   4.215  1.00  0.00      A       
ATOM      5  H3  ACE A   1       3.300  -6.857   2.868  1.00  0.00      A       
ATOM      6  O   ACE A   1       3.416  -3.853   3.687  1.00  0.00      A       
ATOM      7  C   THR A   2       2.936  -2.397   0.398  1.00  0.00      A       
ATOM      8  CA  THR A   2       4.102  -3.270   0.928  1.00  0.00      A       
ATOM      9  CB  THR A   2       5.103  -3.525  -0.242  1.00  0.00      A       
ATOM     10  CG2 THR A   2       6.451  -4.167   0.144  1.00  0.00      A       
ATOM     11  HN  THR A   2       3.266  -5.320   0.898  1.00  0.00      A       
ATOM     12  HA  THR A   2       4.651  -2.723   1.730  1.00  0.00      A       
ATOM     13  HB  THR A   2       5.351  -2.553  -0.712  1.00  0.00      A       
ATOM     14  HG1 THR A   2       4.301  -5.189  -0.776  1.00  0.00      A       
ATOM     15 HG21 THR A   2       6.998  -3.541   0.872  1.00  0.00      A       
ATOM     16 HG22 THR A   2       6.303  -5.162   0.601  1.00  0.00      A       
ATOM     17 HG23 THR A   2       7.099  -4.297  -0.741  1.00  0.00      A       
ATOM     18  N   THR A   2       3.499  -4.517   1.493  1.00  0.00      A       
ATOM     19  O   THR A   2       2.100  -2.869  -0.381  1.00  0.00      A       
ATOM     20  OG1 THR A   2       4.482  -4.355  -1.216  1.00  0.00      A       
ATOM     21  C   LYS A   3       2.333   0.953  -0.400  1.00  0.00      A       
ATOM     22  CA  LYS A   3       1.870  -0.146   0.616  1.00  0.00      A       
ATOM     23  CB  LYS A   3       1.617   0.328   2.082  1.00  0.00      A       
ATOM     24  CD  LYS A   3      -0.015   0.571   4.098  1.00  0.00      A       
ATOM     25  CE  LYS A   3      -1.402   0.286   4.714  1.00  0.00      A       
ATOM     26  CG  LYS A   3       0.286  -0.088   2.737  1.00  0.00      A       
ATOM     27  HN  LYS A   3       3.531  -0.868   1.623  1.00  0.00      A       
ATOM     28  HA  LYS A   3       0.959  -0.605   0.199  1.00  0.00      A       
ATOM     29  HB2 LYS A   3       2.408   0.059   2.813  1.00  0.00      A       
ATOM     30  HB1 LYS A   3       1.718   1.398   2.024  1.00  0.00      A       
ATOM     31  HD2 LYS A   3       0.772   0.228   4.789  1.00  0.00      A       
ATOM     32  HD1 LYS A   3       0.101   1.668   4.022  1.00  0.00      A       
ATOM     33  HE2 LYS A   3      -1.607   1.060   5.476  1.00  0.00      A       
ATOM     34  HE1 LYS A   3      -2.203   0.401   3.960  1.00  0.00      A       
ATOM     35  HG2 LYS A   3      -0.550   0.061   2.028  1.00  0.00      A       
ATOM     36  HG1 LYS A   3       0.369  -1.164   2.941  1.00  0.00      A       
ATOM     37  HZ1 LYS A   3      -0.824  -1.147   6.117  1.00  0.00      A       
ATOM     38  HZ2 LYS A   3      -2.443  -1.170   5.787  1.00  0.00      A       
ATOM     39  HZ3 LYS A   3      -1.370  -1.800   4.701  1.00  0.00      A       
ATOM     40  N   LYS A   3       2.939  -1.124   0.827  1.00  0.00      A       
ATOM     41  NZ  LYS A   3      -1.516  -1.034   5.368  1.00  0.00      A       
ATOM     42  O   LYS A   3       3.531   1.099  -0.687  1.00  0.00      A       
ATOM     43  C   SER A   4       1.970   4.199  -0.812  1.00  0.00      A       
ATOM     44  CA  SER A   4       1.625   2.964  -1.716  1.00  0.00      A       
ATOM     45  CB  SER A   4       0.364   3.164  -2.590  1.00  0.00      A       
ATOM     46  HN  SER A   4       0.416   1.577  -0.499  1.00  0.00      A       
ATOM     47  HA  SER A   4       2.486   2.782  -2.387  1.00  0.00      A       
ATOM     48  HB2 SER A   4       0.561   3.927  -3.360  1.00  0.00      A       
ATOM     49  HB1 SER A   4       0.056   2.249  -3.130  1.00  0.00      A       
ATOM     50  HG  SER A   4      -0.406   4.433  -1.382  1.00  0.00      A       
ATOM     51  N   SER A   4       1.355   1.747  -0.898  1.00  0.00      A       
ATOM     52  O   SER A   4       1.720   4.164   0.401  1.00  0.00      A       
ATOM     53  OG  SER A   4      -0.706   3.616  -1.787  1.00  0.00      A       
ATOM     54  C   ALA A   5       1.213   7.243  -0.453  1.00  0.00      A       
ATOM     55  CA  ALA A   5       2.625   6.625  -0.730  1.00  0.00      A       
ATOM     56  CB  ALA A   5       3.506   7.503  -1.629  1.00  0.00      A       
ATOM     57  HN  ALA A   5       2.676   5.219  -2.415  1.00  0.00      A       
ATOM     58  HA  ALA A   5       3.181   6.472   0.217  1.00  0.00      A       
ATOM     59  HB1 ALA A   5       4.500   7.047  -1.792  1.00  0.00      A       
ATOM     60  HB2 ALA A   5       3.040   7.654  -2.620  1.00  0.00      A       
ATOM     61  HB3 ALA A   5       3.664   8.498  -1.177  1.00  0.00      A       
ATOM     62  N   ALA A   5       2.487   5.308  -1.411  1.00  0.00      A       
ATOM     63  O   ALA A   5       0.584   7.863  -1.322  1.00  0.00      A       
ATOM     64  C   GLY A   6      -1.059   5.481   1.749  1.00  0.00      A       
ATOM     65  CA  GLY A   6      -0.748   6.803   1.025  1.00  0.00      A       
ATOM     66  HN  GLY A   6       1.337   6.409   1.366  1.00  0.00      A       
ATOM     67  HA2 GLY A   6      -1.013   7.644   1.688  1.00  0.00      A       
ATOM     68  HA1 GLY A   6      -1.354   6.893   0.106  1.00  0.00      A       
ATOM     69  N   GLY A   6       0.697   6.897   0.743  1.00  0.00      A       
ATOM     70  O   GLY A   6      -1.197   5.496   2.977  1.00  0.00      A       
ATOM     71  C   GLY A   7      -2.130   2.042   1.042  1.00  0.00      A       
ATOM     72  CA  GLY A   7      -1.030   3.001   1.511  1.00  0.00      A       
ATOM     73  HN  GLY A   7      -0.759   4.479   0.052  1.00  0.00      A       
ATOM     74  HA2 GLY A   7      -0.046   2.635   1.177  1.00  0.00      A       
ATOM     75  HA1 GLY A   7      -1.010   3.014   2.610  1.00  0.00      A       
ATOM     76  N   GLY A   7      -1.140   4.368   0.985  1.00  0.00      A       
ATOM     77  O   GLY A   7      -3.014   1.739   1.850  1.00  0.00      A       
ATOM     78  C   ILE A   8      -3.143  -0.624  -0.888  1.00  0.00      A       
ATOM     79  CA  ILE A   8      -3.257   0.937  -0.907  1.00  0.00      A       
ATOM     80  CB  ILE A   8      -3.449   1.708  -2.297  1.00  0.00      A       
ATOM     81  CD1 ILE A   8      -4.982   3.830  -1.506  1.00  0.00      A       
ATOM     82  CG1 ILE A   8      -3.714   3.256  -2.127  1.00  0.00      A       
ATOM     83  CG2 ILE A   8      -4.447   1.084  -3.336  1.00  0.00      A       
ATOM     84  HN  ILE A   8      -1.597   2.223  -0.863  1.00  0.00      A       
ATOM     85  HA  ILE A   8      -4.140   1.184  -0.299  1.00  0.00      A       
ATOM     86  HB  ILE A   8      -2.481   1.707  -2.807  1.00  0.00      A       
ATOM     87 HD11 ILE A   8      -5.084   3.345  -0.517  1.00  0.00      A       
ATOM     88 HD12 ILE A   8      -4.856   4.914  -1.382  1.00  0.00      A       
ATOM     89 HD13 ILE A   8      -5.837   3.567  -2.143  1.00  0.00      A       
ATOM     90 HG12 ILE A   8      -2.992   3.627  -1.393  1.00  0.00      A       
ATOM     91 HG11 ILE A   8      -3.383   3.764  -3.034  1.00  0.00      A       
ATOM     92 HG21 ILE A   8      -4.179   0.047  -3.598  1.00  0.00      A       
ATOM     93 HG22 ILE A   8      -5.478   1.070  -2.938  1.00  0.00      A       
ATOM     94 HG23 ILE A   8      -4.467   1.645  -4.290  1.00  0.00      A       
ATOM     95  N   ILE A   8      -2.067   1.567  -0.228  1.00  0.00      A       
ATOM     96  O   ILE A   8      -3.199  -1.311  -1.908  1.00  0.00      A       
ATOM     97  C   VAL A   9      -2.461  -3.583  -0.226  1.00  0.00      A       
ATOM     98  CA  VAL A   9      -2.477  -2.413   0.807  1.00  0.00      A       
ATOM     99  CB  VAL A   9      -2.994  -2.706   2.266  1.00  0.00      A       
ATOM    100  CG1 VAL A   9      -4.426  -3.276   2.398  1.00  0.00      A       
ATOM    101  CG2 VAL A   9      -1.979  -3.533   3.104  1.00  0.00      A       
ATOM    102  HN  VAL A   9      -2.775  -0.307   0.862  1.00  0.00      A       
ATOM    103  HA  VAL A   9      -1.422  -2.155   0.963  1.00  0.00      A       
ATOM    104  HB  VAL A   9      -3.017  -1.716   2.770  1.00  0.00      A       
ATOM    105 HG11 VAL A   9      -5.125  -2.636   1.826  1.00  0.00      A       
ATOM    106 HG12 VAL A   9      -4.476  -4.289   1.960  1.00  0.00      A       
ATOM    107 HG13 VAL A   9      -4.768  -3.307   3.445  1.00  0.00      A       
ATOM    108 HG21 VAL A   9      -0.982  -3.043   3.098  1.00  0.00      A       
ATOM    109 HG22 VAL A   9      -2.268  -3.637   4.162  1.00  0.00      A       
ATOM    110 HG23 VAL A   9      -1.829  -4.536   2.665  1.00  0.00      A       
ATOM    111  N   VAL A   9      -3.082  -1.124   0.351  1.00  0.00      A       
ATOM    112  O   VAL A   9      -3.311  -4.477  -0.255  1.00  0.00      A       
ATOM    113  C   LEU A  10      -1.238  -5.602  -2.471  1.00  0.00      A       
ATOM    114  CA  LEU A  10      -1.311  -4.043  -2.387  1.00  0.00      A       
ATOM    115  CB  LEU A  10      -0.078  -3.322  -3.022  1.00  0.00      A       
ATOM    116  CD1 LEU A  10       0.996  -0.949  -2.969  1.00  0.00      A       
ATOM    117  CD2 LEU A  10      -0.870  -1.422  -4.663  1.00  0.00      A       
ATOM    118  CG  LEU A  10      -0.240  -1.775  -3.320  1.00  0.00      A       
ATOM    119  HN  LEU A  10      -1.101  -2.424  -1.046  1.00  0.00      A       
ATOM    120  HA  LEU A  10      -2.186  -3.690  -2.960  1.00  0.00      A       
ATOM    121  HB2 LEU A  10       0.775  -3.520  -2.335  1.00  0.00      A       
ATOM    122  HB1 LEU A  10       0.206  -3.848  -3.944  1.00  0.00      A       
ATOM    123 HD11 LEU A  10       1.316  -1.177  -1.937  1.00  0.00      A       
ATOM    124 HD12 LEU A  10       1.831  -1.185  -3.644  1.00  0.00      A       
ATOM    125 HD13 LEU A  10       0.774   0.130  -2.992  1.00  0.00      A       
ATOM    126 HD21 LEU A  10      -1.823  -1.974  -4.764  1.00  0.00      A       
ATOM    127 HD22 LEU A  10      -1.113  -0.345  -4.704  1.00  0.00      A       
ATOM    128 HD23 LEU A  10      -0.194  -1.703  -5.482  1.00  0.00      A       
ATOM    129  HG  LEU A  10      -1.008  -1.413  -2.626  1.00  0.00      A       
ATOM    130  N   LEU A  10      -1.430  -3.424  -1.050  1.00  0.00      A       
ATOM    131  O   LEU A  10      -1.895  -6.184  -3.332  1.00  0.00      A       
ATOM    132  HN1 NH2 A  11      -0.498  -7.339  -1.768  1.00  0.00      A       
ATOM    133  HN2 NH2 A  11       0.050  -5.799  -0.934  1.00  0.00      A       
ATOM    134  N   NH2 A  11      -0.484  -6.321  -1.638  1.00  0.00      A       
END


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