NMR Restraints Grid

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

image mrblock_id pdb_id cing stage program type subtype
468170 1a1p cing 3-converted-DOCR XPLOR/CNS coordinate ensemble


ATOM      1  C   ILE A   1      -4.773   4.681   0.627  1.00  0.00      A       
ATOM      2  CA  ILE A   1      -5.843   5.515  -0.080  1.00  0.00      A       
ATOM      3  CB  ILE A   1      -5.512   7.005   0.020  1.00  0.00      A       
ATOM      4  CD1 ILE A   1      -3.902   8.784  -0.683  1.00  0.00      A       
ATOM      5  CG1 ILE A   1      -4.205   7.285  -0.725  1.00  0.00      A       
ATOM      6  CG2 ILE A   1      -5.350   7.396   1.490  1.00  0.00      A       
ATOM      7  HT1 ILE A   1      -7.004   5.202   1.622  1.00  0.00      A       
ATOM      8  HT2 ILE A   1      -7.724   6.220   0.473  1.00  0.00      A       
ATOM      9  HT3 ILE A   1      -7.664   4.545   0.202  1.00  0.00      A       
ATOM     10  HA  ILE A   1      -5.922   5.226  -1.115  1.00  0.00      A       
ATOM     11  HB  ILE A   1      -6.312   7.583  -0.421  1.00  0.00      A       
ATOM     12 HD11 ILE A   1      -4.711   9.301  -0.187  1.00  0.00      A       
ATOM     13 HD12 ILE A   1      -2.982   8.952  -0.142  1.00  0.00      A       
ATOM     14 HD13 ILE A   1      -3.800   9.159  -1.690  1.00  0.00      A       
ATOM     15 HG12 ILE A   1      -3.398   6.742  -0.252  1.00  0.00      A       
ATOM     16 HG11 ILE A   1      -4.300   6.968  -1.752  1.00  0.00      A       
ATOM     17 HG21 ILE A   1      -5.992   6.778   2.099  1.00  0.00      A       
ATOM     18 HG22 ILE A   1      -4.322   7.252   1.789  1.00  0.00      A       
ATOM     19 HG23 ILE A   1      -5.620   8.434   1.618  1.00  0.00      A       
ATOM     20  N   ILE A   1      -7.158   5.359   0.606  1.00  0.00      A       
ATOM     21  O   ILE A   1      -4.775   4.541   1.834  1.00  0.00      A       
ATOM     22  C   CYS A   2      -1.717   2.955  -0.538  1.00  0.00      A       
ATOM     23  CA  CYS A   2      -2.785   3.297   0.503  1.00  0.00      A       
ATOM     24  CB  CYS A   2      -3.469   2.018   1.013  1.00  0.00      A       
ATOM     25  HN  CYS A   2      -3.879   4.251  -1.090  1.00  0.00      A       
ATOM     26  HA  CYS A   2      -2.341   3.827   1.331  1.00  0.00      A       
ATOM     27  HB2 CYS A   2      -2.747   1.217   1.040  1.00  0.00      A       
ATOM     28  HB1 CYS A   2      -3.846   2.190   2.010  1.00  0.00      A       
ATOM     29  N   CYS A   2      -3.859   4.125  -0.119  1.00  0.00      A       
ATOM     30  O   CYS A   2      -1.962   2.227  -1.480  1.00  0.00      A       
ATOM     31  SG  CYS A   2      -4.843   1.547  -0.078  1.00  0.00      A       
ATOM     32  C   VAL A   3       1.888   3.026  -0.633  1.00  0.00      A       
ATOM     33  CA  VAL A   3       0.556   3.186  -1.353  1.00  0.00      A       
ATOM     34  CB  VAL A   3       0.589   4.401  -2.271  1.00  0.00      A       
ATOM     35  CG1 VAL A   3       1.897   4.417  -3.067  1.00  0.00      A       
ATOM     36  CG2 VAL A   3      -0.597   4.339  -3.236  1.00  0.00      A       
ATOM     37  HN  VAL A   3      -0.361   4.062   0.392  1.00  0.00      A       
ATOM     38  HA  VAL A   3       0.328   2.301  -1.908  1.00  0.00      A       
ATOM     39  HB  VAL A   3       0.521   5.294  -1.670  1.00  0.00      A       
ATOM     40 HG11 VAL A   3       2.170   3.407  -3.335  1.00  0.00      A       
ATOM     41 HG12 VAL A   3       1.767   5.004  -3.964  1.00  0.00      A       
ATOM     42 HG13 VAL A   3       2.680   4.852  -2.463  1.00  0.00      A       
ATOM     43 HG21 VAL A   3      -1.449   3.913  -2.728  1.00  0.00      A       
ATOM     44 HG22 VAL A   3      -0.839   5.335  -3.575  1.00  0.00      A       
ATOM     45 HG23 VAL A   3      -0.338   3.723  -4.084  1.00  0.00      A       
ATOM     46  N   VAL A   3      -0.533   3.477  -0.374  1.00  0.00      A       
ATOM     47  O   VAL A   3       2.940   2.958  -1.238  1.00  0.00      A       
ATOM     48  C   VAL A   4       3.710   1.434   1.172  1.00  0.00      A       
ATOM     49  CA  VAL A   4       3.101   2.808   1.437  1.00  0.00      A       
ATOM     50  CB  VAL A   4       2.720   2.968   2.917  1.00  0.00      A       
ATOM     51  CG1 VAL A   4       1.375   2.296   3.202  1.00  0.00      A       
ATOM     52  CG2 VAL A   4       3.796   2.328   3.799  1.00  0.00      A       
ATOM     53  HN  VAL A   4       0.979   3.022   1.098  1.00  0.00      A       
ATOM     54  HA  VAL A   4       3.802   3.579   1.159  1.00  0.00      A       
ATOM     55  HB  VAL A   4       2.653   4.016   3.148  1.00  0.00      A       
ATOM     56 HG11 VAL A   4       1.247   1.452   2.542  1.00  0.00      A       
ATOM     57 HG12 VAL A   4       1.353   1.959   4.228  1.00  0.00      A       
ATOM     58 HG13 VAL A   4       0.577   3.006   3.040  1.00  0.00      A       
ATOM     59 HG21 VAL A   4       4.763   2.729   3.535  1.00  0.00      A       
ATOM     60 HG22 VAL A   4       3.587   2.545   4.837  1.00  0.00      A       
ATOM     61 HG23 VAL A   4       3.795   1.258   3.648  1.00  0.00      A       
ATOM     62  N   VAL A   4       1.842   2.966   0.654  1.00  0.00      A       
ATOM     63  O   VAL A   4       3.074   0.548   0.638  1.00  0.00      A       
ATOM     64  C   GLN A   5       5.375  -0.502  -0.138  1.00  0.00      A       
ATOM     65  CA  GLN A   5       5.617  -0.044   1.297  1.00  0.00      A       
ATOM     66  CB  GLN A   5       4.989  -1.020   2.278  1.00  0.00      A       
ATOM     67  CD  GLN A   5       4.825  -1.196   4.770  1.00  0.00      A       
ATOM     68  CG  GLN A   5       5.779  -1.008   3.589  1.00  0.00      A       
ATOM     69  HN  GLN A   5       5.433   2.000   1.954  1.00  0.00      A       
ATOM     70  HA  GLN A   5       6.675   0.040   1.489  1.00  0.00      A       
ATOM     71  HB2 GLN A   5       3.965  -0.735   2.464  1.00  0.00      A       
ATOM     72  HB1 GLN A   5       5.019  -2.009   1.851  1.00  0.00      A       
ATOM     73 HE21 GLN A   5       6.156  -2.191   5.862  1.00  0.00      A       
ATOM     74 HE22 GLN A   5       4.632  -1.963   6.595  1.00  0.00      A       
ATOM     75  HG2 GLN A   5       6.503  -1.810   3.579  1.00  0.00      A       
ATOM     76  HG1 GLN A   5       6.292  -0.063   3.690  1.00  0.00      A       
ATOM     77  N   GLN A   5       4.944   1.263   1.534  1.00  0.00      A       
ATOM     78  NE2 GLN A   5       5.239  -1.836   5.830  1.00  0.00      A       
ATOM     79  O   GLN A   5       4.366  -1.099  -0.462  1.00  0.00      A       
ATOM     80  OE1 GLN A   5       3.694  -0.754   4.730  1.00  0.00      A       
ATOM     81  C   ASP A   6       6.477  -2.095  -2.602  1.00  0.00      A       
ATOM     82  CA  ASP A   6       6.185  -0.607  -2.425  1.00  0.00      A       
ATOM     83  CB  ASP A   6       7.261   0.207  -3.131  1.00  0.00      A       
ATOM     84  CG  ASP A   6       6.907   0.363  -4.611  1.00  0.00      A       
ATOM     85  HN  ASP A   6       7.093   0.265  -0.679  1.00  0.00      A       
ATOM     86  HA  ASP A   6       5.213  -0.356  -2.812  1.00  0.00      A       
ATOM     87  HB2 ASP A   6       7.335   1.181  -2.670  1.00  0.00      A       
ATOM     88  HB1 ASP A   6       8.206  -0.309  -3.040  1.00  0.00      A       
ATOM     89  N   ASP A   6       6.305  -0.216  -0.989  1.00  0.00      A       
ATOM     90  O   ASP A   6       5.827  -2.784  -3.363  1.00  0.00      A       
ATOM     91  OD1 ASP A   6       5.746   0.188  -4.946  1.00  0.00      A       
ATOM     92  OD2 ASP A   6       7.803   0.656  -5.386  1.00  0.00      A       
ATOM     93  C   TRP A   7       6.859  -4.883  -1.228  1.00  0.00      A       
ATOM     94  CA  TRP A   7       7.823  -4.026  -2.039  1.00  0.00      A       
ATOM     95  CB  TRP A   7       9.242  -4.149  -1.467  1.00  0.00      A       
ATOM     96  CD1 TRP A   7      10.087  -2.302   0.038  1.00  0.00      A       
ATOM     97  CD2 TRP A   7       8.728  -3.729   1.122  1.00  0.00      A       
ATOM     98  CE2 TRP A   7       9.125  -2.751   2.064  1.00  0.00      A       
ATOM     99  CE3 TRP A   7       7.865  -4.749   1.554  1.00  0.00      A       
ATOM    100  CG  TRP A   7       9.350  -3.419  -0.161  1.00  0.00      A       
ATOM    101  CH2 TRP A   7       7.821  -3.810   3.798  1.00  0.00      A       
ATOM    102  CZ2 TRP A   7       8.680  -2.787   3.387  1.00  0.00      A       
ATOM    103  CZ3 TRP A   7       7.415  -4.790   2.883  1.00  0.00      A       
ATOM    104  HN  TRP A   7       7.975  -2.000  -1.317  1.00  0.00      A       
ATOM    105  HA  TRP A   7       7.817  -4.327  -3.074  1.00  0.00      A       
ATOM    106  HB2 TRP A   7       9.469  -5.191  -1.309  1.00  0.00      A       
ATOM    107  HB1 TRP A   7       9.945  -3.731  -2.170  1.00  0.00      A       
ATOM    108  HD1 TRP A   7      10.682  -1.803  -0.711  1.00  0.00      A       
ATOM    109  HE1 TRP A   7      10.386  -1.122   1.757  1.00  0.00      A       
ATOM    110  HE3 TRP A   7       7.547  -5.505   0.857  1.00  0.00      A       
ATOM    111  HH2 TRP A   7       7.471  -3.845   4.819  1.00  0.00      A       
ATOM    112  HZ2 TRP A   7       8.996  -2.028   4.088  1.00  0.00      A       
ATOM    113  HZ3 TRP A   7       6.750  -5.580   3.202  1.00  0.00      A       
ATOM    114  N   TRP A   7       7.464  -2.585  -1.911  1.00  0.00      A       
ATOM    115  NE1 TRP A   7       9.954  -1.905   1.356  1.00  0.00      A       
ATOM    116  O   TRP A   7       6.800  -6.086  -1.383  1.00  0.00      A       
ATOM    117  C   GLY A   8       3.824  -4.330   0.567  1.00  0.00      A       
ATOM    118  CA  GLY A   8       5.164  -5.055   0.483  1.00  0.00      A       
ATOM    119  HN  GLY A   8       6.189  -3.307  -0.241  1.00  0.00      A       
ATOM    120  HA2 GLY A   8       5.018  -6.031   0.041  1.00  0.00      A       
ATOM    121  HA1 GLY A   8       5.570  -5.167   1.476  1.00  0.00      A       
ATOM    122  N   GLY A   8       6.114  -4.275  -0.354  1.00  0.00      A       
ATOM    123  O   GLY A   8       3.541  -3.630   1.519  1.00  0.00      A       
ATOM    124  C   HIS A   9       0.685  -4.680   0.441  1.00  0.00      A       
ATOM    125  CA  HIS A   9       1.658  -3.840  -0.391  1.00  0.00      A       
ATOM    126  CB  HIS A   9       1.209  -3.784  -1.852  1.00  0.00      A       
ATOM    127  CD2 HIS A   9       2.939  -1.978  -2.661  1.00  0.00      A       
ATOM    128  CE1 HIS A   9       1.535  -0.541  -3.477  1.00  0.00      A       
ATOM    129  CG  HIS A   9       1.683  -2.500  -2.476  1.00  0.00      A       
ATOM    130  HN  HIS A   9       3.240  -5.079  -1.169  1.00  0.00      A       
ATOM    131  HA  HIS A   9       1.739  -2.843   0.011  1.00  0.00      A       
ATOM    132  HB2 HIS A   9       1.629  -4.624  -2.391  1.00  0.00      A       
ATOM    133  HB1 HIS A   9       0.130  -3.828  -1.899  1.00  0.00      A       
ATOM    134  HD1 HIS A   9      -0.174  -1.641  -3.029  1.00  0.00      A       
ATOM    135  HD2 HIS A   9       3.861  -2.454  -2.363  1.00  0.00      A       
ATOM    136  HE1 HIS A   9       1.115   0.337  -3.947  1.00  0.00      A       
ATOM    137  N   HIS A   9       2.991  -4.504  -0.417  1.00  0.00      A       
ATOM    138  ND1 HIS A   9       0.803  -1.567  -3.004  1.00  0.00      A       
ATOM    139  NE2 HIS A   9       2.843  -0.741  -3.294  1.00  0.00      A       
ATOM    140  O   HIS A   9       1.058  -5.678   1.025  1.00  0.00      A       
ATOM    141  C   HIS A  10      -2.747  -5.458   0.434  1.00  0.00      A       
ATOM    142  CA  HIS A  10      -1.539  -5.075   1.302  1.00  0.00      A       
ATOM    143  CB  HIS A  10      -1.939  -4.148   2.455  1.00  0.00      A       
ATOM    144  CD2 HIS A  10       0.117  -2.542   2.775  1.00  0.00      A       
ATOM    145  CE1 HIS A  10       0.946  -3.441   4.563  1.00  0.00      A       
ATOM    146  CG  HIS A  10      -0.697  -3.599   3.102  1.00  0.00      A       
ATOM    147  HN  HIS A  10      -0.842  -3.482   0.027  1.00  0.00      A       
ATOM    148  HA  HIS A  10      -1.072  -5.962   1.695  1.00  0.00      A       
ATOM    149  HB2 HIS A  10      -2.534  -3.332   2.077  1.00  0.00      A       
ATOM    150  HB1 HIS A  10      -2.509  -4.703   3.184  1.00  0.00      A       
ATOM    151  HD1 HIS A  10      -0.493  -4.934   4.735  1.00  0.00      A       
ATOM    152  HD2 HIS A  10      -0.026  -1.887   1.928  1.00  0.00      A       
ATOM    153  HE1 HIS A  10       1.580  -3.646   5.413  1.00  0.00      A       
ATOM    154  N   HIS A  10      -0.557  -4.289   0.503  1.00  0.00      A       
ATOM    155  ND1 HIS A  10      -0.148  -4.158   4.247  1.00  0.00      A       
ATOM    156  NE2 HIS A  10       1.153  -2.445   3.698  1.00  0.00      A       
ATOM    157  O   HIS A  10      -2.814  -6.549  -0.098  1.00  0.00      A       
ATOM    158  C   ARG A  11      -5.828  -3.695  -0.624  1.00  0.00      A       
ATOM    159  CA  ARG A  11      -4.886  -4.900  -0.561  1.00  0.00      A       
ATOM    160  CB  ARG A  11      -5.567  -6.074   0.144  1.00  0.00      A       
ATOM    161  CD  ARG A  11      -5.800  -6.674   2.559  1.00  0.00      A       
ATOM    162  CG  ARG A  11      -6.106  -5.614   1.500  1.00  0.00      A       
ATOM    163  CZ  ARG A  11      -5.471  -5.163   4.421  1.00  0.00      A       
ATOM    164  HN  ARG A  11      -3.626  -3.702   0.707  1.00  0.00      A       
ATOM    165  HA  ARG A  11      -4.579  -5.192  -1.552  1.00  0.00      A       
ATOM    166  HB2 ARG A  11      -6.383  -6.434  -0.466  1.00  0.00      A       
ATOM    167  HB1 ARG A  11      -4.852  -6.869   0.295  1.00  0.00      A       
ATOM    168  HD2 ARG A  11      -6.715  -7.016   3.022  1.00  0.00      A       
ATOM    169  HD1 ARG A  11      -5.266  -7.502   2.121  1.00  0.00      A       
ATOM    170  HE  ARG A  11      -3.971  -6.140   3.563  1.00  0.00      A       
ATOM    171  HG2 ARG A  11      -5.635  -4.681   1.775  1.00  0.00      A       
ATOM    172  HG1 ARG A  11      -7.175  -5.472   1.434  1.00  0.00      A       
ATOM    173 HH11 ARG A  11      -6.303  -6.624   5.512  1.00  0.00      A       
ATOM    174 HH12 ARG A  11      -6.587  -5.004   6.077  1.00  0.00      A       
ATOM    175 HH21 ARG A  11      -4.765  -3.516   3.530  1.00  0.00      A       
ATOM    176 HH22 ARG A  11      -5.708  -3.249   4.958  1.00  0.00      A       
ATOM    177  N   ARG A  11      -3.696  -4.576   0.279  1.00  0.00      A       
ATOM    178  NE  ARG A  11      -4.937  -5.981   3.556  1.00  0.00      A       
ATOM    179  NH1 ARG A  11      -6.174  -5.634   5.415  1.00  0.00      A       
ATOM    180  NH2 ARG A  11      -5.302  -3.876   4.293  1.00  0.00      A       
ATOM    181  O   ARG A  11      -6.866  -3.671   0.007  1.00  0.00      A       
ATOM    182  C   CYS A  12      -7.634  -1.836  -2.245  1.00  0.00      A       
ATOM    183  CA  CYS A  12      -6.349  -1.490  -1.479  1.00  0.00      A       
ATOM    184  CB  CYS A  12      -5.510  -0.457  -2.232  1.00  0.00      A       
ATOM    185  HN  CYS A  12      -4.632  -2.727  -1.881  1.00  0.00      A       
ATOM    186  HA  CYS A  12      -6.589  -1.122  -0.494  1.00  0.00      A       
ATOM    187  HB2 CYS A  12      -5.147  -0.889  -3.154  1.00  0.00      A       
ATOM    188  HB1 CYS A  12      -6.118   0.408  -2.453  1.00  0.00      A       
ATOM    189  N   CYS A  12      -5.473  -2.692  -1.380  1.00  0.00      A       
ATOM    190  O   CYS A  12      -8.342  -2.757  -1.889  1.00  0.00      A       
ATOM    191  SG  CYS A  12      -4.105   0.042  -1.204  1.00  0.00      A       
ATOM    192  C   THR A  13      -8.838  -1.868  -5.474  1.00  0.00      A       
ATOM    193  CA  THR A  13      -9.190  -1.419  -4.054  1.00  0.00      A       
ATOM    194  CB  THR A  13      -9.979  -0.107  -4.085  1.00  0.00      A       
ATOM    195  CG2 THR A  13     -11.289  -0.280  -3.316  1.00  0.00      A       
ATOM    196  HN  THR A  13      -7.373  -0.372  -3.568  1.00  0.00      A       
ATOM    197  HA  THR A  13      -9.764  -2.181  -3.550  1.00  0.00      A       
ATOM    198  HB  THR A  13     -10.201   0.154  -5.107  1.00  0.00      A       
ATOM    199  HG1 THR A  13      -8.960   1.548  -4.182  1.00  0.00      A       
ATOM    200 HG21 THR A  13     -11.153  -1.012  -2.534  1.00  0.00      A       
ATOM    201 HG22 THR A  13     -11.577   0.665  -2.878  1.00  0.00      A       
ATOM    202 HG23 THR A  13     -12.061  -0.614  -3.992  1.00  0.00      A       
ATOM    203  N   THR A  13      -7.948  -1.113  -3.288  1.00  0.00      A       
ATOM    204  O   THR A  13      -7.691  -2.125  -5.780  1.00  0.00      A       
ATOM    205  OG1 THR A  13      -9.209   0.930  -3.491  1.00  0.00      A       
ATOM    206  HN1 NH2 A  14     -10.717  -1.770  -6.116  1.00  0.00      A       
ATOM    207  HN2 NH2 A  14      -9.573  -2.269  -7.277  1.00  0.00      A       
ATOM    208  N   NH2 A  14      -9.788  -1.978  -6.363  1.00  0.00      A       
END


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