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
622671 5ojt 34165 cing 3-converted-DOCR XPLOR/CNS coordinate ensemble


ATOM      1  C   ACE A   1       1.728  -2.005   6.857  1.00  0.00      A       
ATOM      2  CH3 ACE A   1       2.296  -3.402   7.026  1.00  0.00      A       
ATOM      3  H1  ACE A   1       2.019  -3.812   8.013  1.00  0.00      A       
ATOM      4  H2  ACE A   1       1.885  -4.078   6.258  1.00  0.00      A       
ATOM      5  H3  ACE A   1       3.399  -3.428   6.962  1.00  0.00      A       
ATOM      6  O   ACE A   1       0.691  -1.685   7.434  1.00  0.00      A       
ATOM      7  C   ARG A   2       0.957   0.399   4.595  1.00  0.00      A       
ATOM      8  CA  ARG A   2       1.981   0.218   5.768  1.00  0.00      A       
ATOM      9  CB  ARG A   2       3.241   1.150   5.752  1.00  0.00      A       
ATOM     10  CD  ARG A   2       3.052   2.844   3.778  1.00  0.00      A       
ATOM     11  CG  ARG A   2       3.846   1.682   4.422  1.00  0.00      A       
ATOM     12  CZ  ARG A   2       3.595   5.030   2.678  1.00  0.00      A       
ATOM     13  HN  ARG A   2       3.289  -1.596   5.716  1.00  0.00      A       
ATOM     14  HA  ARG A   2       1.409   0.561   6.656  1.00  0.00      A       
ATOM     15  HB2 ARG A   2       3.014   2.029   6.387  1.00  0.00      A       
ATOM     16  HB1 ARG A   2       4.062   0.670   6.323  1.00  0.00      A       
ATOM     17  HD2 ARG A   2       2.345   2.437   3.026  1.00  0.00      A       
ATOM     18  HD1 ARG A   2       2.418   3.338   4.542  1.00  0.00      A       
ATOM     19  HE  ARG A   2       4.981   3.703   3.176  1.00  0.00      A       
ATOM     20  HG2 ARG A   2       4.883   1.998   4.652  1.00  0.00      A       
ATOM     21  HG1 ARG A   2       3.974   0.865   3.688  1.00  0.00      A       
ATOM     22 HH11 ARG A   2       4.216   6.777   1.961  1.00  0.00      A       
ATOM     23 HH12 ARG A   2       5.492   5.563   2.414  1.00  0.00      A       
ATOM     24 HH21 ARG A   2       2.144   6.341   2.204  1.00  0.00      A       
ATOM     25 HH22 ARG A   2       1.666   4.710   2.879  1.00  0.00      A       
ATOM     26  N   ARG A   2       2.405  -1.194   6.041  1.00  0.00      A       
ATOM     27  NE  ARG A   2       3.966   3.840   3.153  1.00  0.00      A       
ATOM     28  NH1 ARG A   2       4.522   5.863   2.302  1.00  0.00      A       
ATOM     29  NH2 ARG A   2       2.344   5.409   2.571  1.00  0.00      A       
ATOM     30  O   ARG A   2       0.061   1.240   4.698  1.00  0.00      A       
ATOM     31  C   ALA A   3      -0.803  -1.590   2.191  1.00  0.00      A       
ATOM     32  CA  ALA A   3       0.128  -0.336   2.352  1.00  0.00      A       
ATOM     33  CB  ALA A   3       0.987  -0.112   1.092  1.00  0.00      A       
ATOM     34  HN  ALA A   3       1.868  -1.021   3.542  1.00  0.00      A       
ATOM     35  HA  ALA A   3      -0.559   0.531   2.436  1.00  0.00      A       
ATOM     36  HB1 ALA A   3       1.662  -0.964   0.881  1.00  0.00      A       
ATOM     37  HB2 ALA A   3       0.358   0.029   0.194  1.00  0.00      A       
ATOM     38  HB3 ALA A   3       1.617   0.794   1.167  1.00  0.00      A       
ATOM     39  N   ALA A   3       1.100  -0.348   3.484  1.00  0.00      A       
ATOM     40  O   ALA A   3      -1.596  -1.619   1.245  1.00  0.00      A       
ATOM     41  C   Dcy A   4      -1.179  -4.713   1.554  1.00  0.00      A       
ATOM     42  CA  Dcy A   4      -1.493  -3.899   2.865  1.00  0.00      A       
ATOM     43  CB  Dcy A   4      -1.373  -4.735   4.163  1.00  0.00      A       
ATOM     44  H   Dcy A   4      -0.173  -2.437   3.890  1.00  0.00      A       
ATOM     45  HA  Dcy A   4      -2.561  -3.611   2.788  1.00  0.00      A       
ATOM     46  HB2 Dcy A   4      -1.373  -4.119   5.083  1.00  0.00      A       
ATOM     47  HB3 Dcy A   4      -2.257  -5.394   4.254  1.00  0.00      A       
ATOM     48  N   Dcy A   4      -0.718  -2.634   3.045  1.00  0.00      A       
ATOM     49  O   Dcy A   4      -2.108  -5.138   0.864  1.00  0.00      A       
ATOM     50  SG  Dcy A   4       0.081  -5.803   4.127  1.00  0.00      A       
ATOM     51  C   ARG A   5       1.905  -6.231  -0.005  1.00  0.00      A       
ATOM     52  CA  ARG A   5       0.570  -5.414  -0.119  1.00  0.00      A       
ATOM     53  CB  ARG A   5       0.702  -4.250  -1.156  1.00  0.00      A       
ATOM     54  CD  ARG A   5      -0.728  -2.288  -2.051  1.00  0.00      A       
ATOM     55  CG  ARG A   5      -0.607  -3.815  -1.861  1.00  0.00      A       
ATOM     56  CZ  ARG A   5      -3.209  -1.872  -2.165  1.00  0.00      A       
ATOM     57  HN  ARG A   5       0.757  -4.484   1.892  1.00  0.00      A       
ATOM     58  HA  ARG A   5      -0.177  -6.141  -0.498  1.00  0.00      A       
ATOM     59  HB2 ARG A   5       1.197  -3.386  -0.667  1.00  0.00      A       
ATOM     60  HB1 ARG A   5       1.414  -4.536  -1.954  1.00  0.00      A       
ATOM     61  HD2 ARG A   5      -0.621  -1.761  -1.082  1.00  0.00      A       
ATOM     62  HD1 ARG A   5       0.130  -1.924  -2.653  1.00  0.00      A       
ATOM     63  HE  ARG A   5      -2.006  -1.690  -3.732  1.00  0.00      A       
ATOM     64  HG2 ARG A   5      -0.684  -4.327  -2.841  1.00  0.00      A       
ATOM     65  HG1 ARG A   5      -1.487  -4.181  -1.302  1.00  0.00      A       
ATOM     66 HH11 ARG A   5      -5.146  -1.559  -2.465  1.00  0.00      A       
ATOM     67 HH12 ARG A   5      -4.042  -1.380  -3.900  1.00  0.00      A       
ATOM     68 HH21 ARG A   5      -4.395  -2.080  -0.555  1.00  0.00      A       
ATOM     69 HH22 ARG A   5      -2.594  -2.253  -0.317  1.00  0.00      A       
ATOM     70  N   ARG A   5       0.113  -4.868   1.195  1.00  0.00      A       
ATOM     71  NE  ARG A   5      -1.999  -1.909  -2.732  1.00  0.00      A       
ATOM     72  NH1 ARG A   5      -4.230  -1.578  -2.917  1.00  0.00      A       
ATOM     73  NH2 ARG A   5      -3.435  -2.115  -0.896  1.00  0.00      A       
ATOM     74  O   ARG A   5       1.955  -7.374  -0.459  1.00  0.00      A       
ATOM     75  C1  NAL A   6       5.441  -2.665   0.306  1.00  0.00      A       
ATOM     76  C2  NAL A   6       5.039  -3.726  -0.509  1.00  0.00      A       
ATOM     77  C3  NAL A   6       4.231  -3.479  -1.622  1.00  0.00      A       
ATOM     78  C4  NAL A   6       3.776  -2.196  -1.905  1.00  0.00      A       
ATOM     79  C4A NAL A   6       4.149  -1.127  -1.093  1.00  0.00      A       
ATOM     80  C5  NAL A   6       3.701   0.169  -1.353  1.00  0.00      A       
ATOM     81  C6  NAL A   6       4.101   1.225  -0.540  1.00  0.00      A       
ATOM     82  C7  NAL A   6       4.958   1.004   0.533  1.00  0.00      A       
ATOM     83  C8  NAL A   6       5.421  -0.278   0.814  1.00  0.00      A       
ATOM     84  C8A NAL A   6       5.018  -1.360   0.029  1.00  0.00      A       
ATOM     85  C9  NAL A   6       5.435  -5.188  -0.180  1.00  0.00      A       
ATOM     86  H1  NAL A   6       6.082  -2.861   1.155  1.00  0.00      A       
ATOM     87  H3  NAL A   6       3.924  -4.298  -2.258  1.00  0.00      A       
ATOM     88  H4  NAL A   6       3.134  -2.048  -2.763  1.00  0.00      A       
ATOM     89  H5  NAL A   6       3.043   0.374  -2.189  1.00  0.00      A       
ATOM     90  H6  NAL A   6       3.753   2.226  -0.753  1.00  0.00      A       
ATOM     91  H7  NAL A   6       5.277   1.836   1.144  1.00  0.00      A       
ATOM     92  H8  NAL A   6       6.105  -0.414   1.641  1.00  0.00      A       
ATOM     93  H91 NAL A   6       6.352  -5.175   0.441  1.00  0.00      A       
ATOM     94  H92 NAL A   6       5.814  -5.640  -1.117  1.00  0.00      A       
ATOM     95  N   NAL A   6       2.994  -5.631   0.523  1.00  0.00      A       
ATOM     96  C   HIS A   7       4.395  -7.603   4.825  1.00  0.00      A       
ATOM     97  CA  HIS A   7       5.303  -6.461   4.247  1.00  0.00      A       
ATOM     98  CB  HIS A   7       5.390  -5.264   5.269  1.00  0.00      A       
ATOM     99  CD2 HIS A   7       6.412  -2.851   4.974  1.00  0.00      A       
ATOM    100  CE1 HIS A   7       4.866  -1.998   3.845  1.00  0.00      A       
ATOM    101  CG  HIS A   7       5.397  -3.804   4.787  1.00  0.00      A       
ATOM    102  HN  HIS A   7       4.940  -5.017   2.616  1.00  0.00      A       
ATOM    103  HA  HIS A   7       6.320  -6.901   4.196  1.00  0.00      A       
ATOM    104  HB2 HIS A   7       4.558  -5.327   5.996  1.00  0.00      A       
ATOM    105  HB1 HIS A   7       6.279  -5.432   5.907  1.00  0.00      A       
ATOM    106  HD1 HIS A   7       3.491  -3.680   3.744  1.00  0.00      A       
ATOM    107  HD2 HIS A   7       7.332  -3.029   5.511  1.00  0.00      A       
ATOM    108  HE1 HIS A   7       4.324  -1.306   3.219  1.00  0.00      A       
ATOM    109  N   HIS A   7       4.989  -6.014   2.849  1.00  0.00      A       
ATOM    110  ND1 HIS A   7       4.352  -3.238   4.080  1.00  0.00      A       
ATOM    111  NE2 HIS A   7       6.084  -1.648   4.359  1.00  0.00      A       
ATOM    112  O   HIS A   7       4.915  -8.571   5.384  1.00  0.00      A       
ATOM    113  C   Le1 A   8       1.727  -9.090   3.379  1.00  0.00      A       
ATOM    114  C8  Le1 A   8       1.105  -7.491   6.981  1.00  0.00      A       
ATOM    115  C9  Le1 A   8       0.289  -9.722   6.256  1.00  0.00      A       
ATOM    116  CA  Le1 A   8       2.127  -8.651   4.821  1.00  0.00      A       
ATOM    117  CB  Le1 A   8       0.870  -8.386   5.741  1.00  0.00      A       
ATOM    118  H8  Le1 A   8       1.403  -6.468   6.690  1.00  0.00      A       
ATOM    119  H8A Le1 A   8       0.195  -7.386   7.601  1.00  0.00      A       
ATOM    120  H8B Le1 A   8       1.907  -7.887   7.631  1.00  0.00      A       
ATOM    121  H9  Le1 A   8      -0.654  -9.576   6.816  1.00  0.00      A       
ATOM    122  H9A Le1 A   8       0.056 -10.420   5.429  1.00  0.00      A       
ATOM    123  H9B Le1 A   8       0.989 -10.247   6.933  1.00  0.00      A       
ATOM    124  HA  Le1 A   8       2.680  -9.501   5.271  1.00  0.00      A       
ATOM    125  HN  Le1 A   8       2.805  -6.691   4.086  1.00  0.00      A       
ATOM    126  HXT Le1 A   8       1.671 -10.599   2.244  1.00  0.00      A       
ATOM    127  N   Le1 A   8       3.059  -7.491   4.673  1.00  0.00      A       
ATOM    128  O   Le1 A   8       1.276  -8.330   2.520  1.00  0.00      A       
ATOM    129  OXT Le1 A   8       1.917 -10.420   3.154  1.00  0.00      A       
ATOM    130  SG  Le1 A   8      -0.443  -7.628   4.749  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, July 7, 2024 1:10:30 PM GMT (wattos1)