NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
1362 1ajf cing 1-original 6 MR format nomenclature mapping


  Entry H atom name         Submitted Coord H atom name
    1   1H5*    G   1          1H5*        G   1  -8.182 -10.498   3.307
    2   2H5*    G   1          2H5*        G   1  -8.182 -12.243   2.979
    3    H4*    G   1           H4*        G   1  -6.913 -11.833   4.997
    4    H3*    G   1           H3*        G   1  -5.310  -9.824   3.315
    5   1H2*    G   1           H2*        G   1  -3.434 -10.394   4.775
    6   2HO*    G   1          2HO*        G   1  -4.500 -10.557   6.750
    7    H1*    G   1           H1*        G   1  -3.799 -13.104   4.567
    8    H8     G   1           H8         G   1  -4.883 -11.837   1.211
    9    H1     G   1           H1         G   1   1.481 -11.697   1.980
   10   1H2     G   1          1H2         G   1   1.990 -12.055   4.103
   11   2H2     G   1          2H2         G   1   0.757 -12.267   5.325
   12    H5T    G   1           H5*        G   1  -6.541 -11.888   1.450
   13   1H5*    A   2          1H5*        A   2  -4.529  -7.271   7.869
   14   2H5*    A   2          2H5*        A   2  -4.641  -9.024   7.620
   15    H4*    A   2           H4*        A   2  -2.550  -8.518   8.738
   16    H3*    A   2           H3*        A   2  -2.061  -6.561   6.425
   17   1H2*    A   2           H2*        A   2   0.307  -7.066   6.723
   18   2HO*    A   2          2HO*        A   2  -0.148  -7.225   9.159
   19    H1*    A   2           H1*        A   2  -0.036  -9.791   6.859
   20    H8     A   2           H8         A   2  -2.663  -8.357   4.508
   21   1H6     A   2          1H6         A   2   1.667  -8.658   0.096
   22   2H6     A   2          2H6         A   2  -0.020  -8.345   0.437
   23    H2     A   2           H2         A   2   3.639  -9.512   4.013
   24   1H5*    C   3          1H5*        C   3   1.244  -4.021   9.274
   25   2H5*    C   3          2H5*        C   3   0.861  -5.752   9.173
   26    H4*    C   3           H4*        C   3   3.168  -5.394   8.504
   27    H3*    C   3           H3*        C   3   2.028  -3.421   6.442
   28   1H2*    C   3           H2*        C   3   3.961  -4.057   5.092
   29   2HO*    C   3          2HO*        C   3   5.397  -4.126   6.969
   30    H1*    C   3           H1*        C   3   3.677  -6.768   5.552
   31   1H4     C   3          1H4         C   3   0.412  -5.563   0.229
   32   2H4     C   3          2H4         C   3  -1.002  -5.099   1.150
   33    H5     C   3           H5         C   3  -0.963  -4.889   3.607
   34    H6     C   3           H6         C   3   0.425  -5.154   5.598
   35   1H5*    A   4          1H5*        A   4   6.539  -0.790   6.787
   36   2H5*    A   4          2H5*        A   4   6.298  -2.544   6.915
   37    H4*    A   4           H4*        A   4   7.874  -2.079   5.129
   38    H3*    A   4           H3*        A   4   5.682  -0.258   3.979
   39   1H2*    A   4           H2*        A   4   6.619  -0.842   1.806
   40   2HO*    A   4          2HO*        A   4   8.842  -0.750   2.611
   41    H1*    A   4           H1*        A   4   6.819  -3.543   2.348
   42    H8     A   4           H8         A   4   3.667  -2.375   4.063
   43   1H6     A   4          1H6         A   4   0.911  -2.806  -1.477
   44   2H6     A   4          2H6         A   4   0.663  -2.473   0.223
   45    H2     A   4           H2         A   4   5.314  -3.188  -2.091
   46   1H5*    G   5          1H5*        G   5   9.660   2.515   2.007
   47   2H5*    G   5          2H5*        G   5   9.681   0.761   1.735
   48    H4*    G   5           H4*        G   5  10.094   2.017  -0.349
   49    H3*    G   5           H3*        G   5   7.309   3.206   0.172
   50   1H2*    G   5           H2*        G   5   7.102   3.276  -2.250
   51   2HO*    G   5          2HO*        G   5   8.823   3.289  -3.538
   52    H1*    G   5           H1*        G   5   8.137   0.744  -2.665
   53    H8     G   5           H8         G   5   6.093   0.477   0.464
   54    H1     G   5           H1         G   5   2.525   0.763  -4.859
   55   1H2     G   5          1H2         G   5   3.788   1.348  -6.574
   56   2H2     G   5          2H2         G   5   5.486   1.717  -6.387
   57   1H5*    G   6          1H5*        G   6   9.142   6.772  -3.108
   58   2H5*    G   6          2H5*        G   6   9.378   5.016  -2.998
   59    H4*    G   6           H4*        G   6   8.577   5.570  -5.219
   60    H3*    G   6           H3*        G   6   6.189   6.856  -3.819
   61   1H2*    G   6           H2'        G   6   5.011   6.421  -5.862
   62   2HO*    G   6          2HO*        G   6   7.001   6.858  -7.164
   63    H1*    G   6           H1*        G   6   5.914   3.852  -5.917
   64    H8     G   6           H8         G   6   5.507   4.364  -2.277
   65    H1     G   6           H1         G   6  -0.117   3.927  -5.342
   66   1H2     G   6          1H2         G   6   0.205   4.064  -7.520
   67   2H2     G   6          2H2         G   6   1.786   4.368  -8.200
   68   1H5*    G   7          1H5*        G   7   5.794  10.340  -7.405
   69   2H5*    G   7          2H5*        G   7   5.803   8.581  -7.642
   70    H4*    G   7           H4*        G   7   3.832   9.621  -8.693
   71    H3*    G   7           H3*        G   7   3.223  10.618  -5.855
   72   1H2*    G   7           H2*        G   7   0.886  10.326  -6.405
   73   2HO*    G   7          2HO*        G   7   1.244  11.278  -8.566
   74    H1*    G   7           H1*        G   7   1.206   7.929  -7.810
   75    H8     G   7           H8         G   7   3.400   7.543  -4.821
   76    H1     G   7           H1         G   7  -2.833   7.010  -3.404
   77   1H2     G   7          1H2         G   7  -4.051   7.694  -5.116
   78   2H2     G   7          2H2         G   7  -3.325   8.339  -6.568
   79   1H5*    G   8          1H5*        G   8   1.692  13.424  -4.585
   80   2H5*    G   8          2H5*        G   8   0.882  14.823  -5.320
   81    H4*    G   8           H4*        G   8  -1.083  13.409  -5.831
   82    H3*    G   8           H3'        G   8  -0.160  13.477  -2.908
   83   1H2*    G   8           H2*        G   8  -2.043  12.038  -2.392
   84   2HO*    G   8          2HO*        G   8  -3.287  13.337  -4.148
   85    H1*    G   8           H1*        G   8  -1.699  10.320  -4.519
   86    H8     G   8           H8         G   8   1.832  10.886  -3.823
   87    H1     G   8           H1         G   8  -0.973   7.803   1.048
   88   1H2     G   8          1H2         G   8  -3.167   7.905   0.838
   89   2H2     G   8          2H2         G   8  -3.932   8.791  -0.465
   90   1H5*    A   9          1H5*        A   9   0.590  15.553  -0.952
   91   2H5*    A   9          2H5*        A   9  -0.070  17.197  -0.821
   92    H4*    A   9           H4*        A   9   0.158  16.167   1.396
   93    H3*    A   9           H3*        A   9  -1.544  13.936   0.187
   94   1H2*    A   9           H2*        A   9  -2.732  13.752   2.279
   95   2HO*    A   9          2HO*        A   9  -0.763  13.923   3.546
   96    H1*    A   9           H1*        A   9  -3.006  16.444   2.794
   97    H8     A   9           H8         A   9  -3.304  15.167  -0.892
   98   1H6     A   9          1H6         A   9  -9.389  15.663   0.282
   99   2H6     A   9          2H6         A   9  -8.199  15.323  -0.955
  100    H2     A   9           H2         A   9  -7.122  16.523   4.039
  101   1H5*    A  10          1H5*        A  10  -1.915  10.514   1.389
  102   2H5*    A  10          2H5*        A  10  -1.344   9.691   2.855
  103    H4*    A  10           H4*        A  10  -2.876  11.040   4.225
  104    H3*    A  10           H3*        A  10  -4.158   9.610   1.837
  105   1H2*    A  10           H2*        A  10  -6.289  10.452   2.642
  106   2HO*    A  10          2HO*        A  10  -5.491  10.095   4.936
  107    H1*    A  10           H1*        A  10  -5.402  13.021   3.094
  108    H8     A  10           H8         A  10  -3.407  12.234   0.101
  109   1H6     A  10          1H6         A  10  -8.562  12.836  -3.287
  110   2H6     A  10          2H6         A  10  -6.817  12.715  -3.341
  111    H2     A  10           H2         A  10  -9.755  12.616   1.000
  112   1H5*    A  11          1H5*        A  11  -7.054   6.460   4.066
  113   2H5*    A  11          2H5*        A  11  -6.803   8.200   4.313
  114    H4*    A  11           H4*        A  11  -9.043   7.760   3.404
  115    H3*    A  11           H3*        A  11  -7.516   6.368   1.147
  116   1H2*    A  11           H2'        A  11  -9.205   7.206  -0.380
  117   2HO*    A  11          2HO*        A  11 -10.853   6.802   1.439
  118    H1*    A  11           H1*        A  11  -9.292   9.761   0.639
  119    H8     A  11           H8         A  11  -5.707   8.721   0.985
  120   1H6     A  11          1H6         A  11  -5.028  10.110  -5.015
  121   2H6     A  11          2H6         A  11  -4.187   9.814  -3.511
  122    H2     A  11           H2         A  11  -9.389  10.129  -4.082
  123   1H5*    C  12          1H5*        C  12 -10.643   3.688  -0.908
  124   2H5*    C  12          2H5*        C  12 -10.652   5.340  -0.257
  125    H4*    C  12           H4*        C  12 -10.523   5.446  -2.678
  126    H3*    C  12           H3*        C  12  -8.129   3.554  -2.384
  127   1H2*    C  12           H2*        C  12  -7.157   4.688  -4.302
  128   2HO*    C  12          2HO*        C  12  -9.369   4.834  -5.303
  129    H1*    C  12           H1*        C  12  -7.721   7.236  -3.446
  130   1H4     C  12          1H4         C  12  -1.980   5.940  -1.042
  131   2H4     C  12          2H4         C  12  -2.707   5.235   0.386
  132    H5     C  12           H5         C  12  -5.135   4.925   0.612
  133    H6     C  12           H6         C  12  -7.283   5.216  -0.504
  134   1H5*    U  13          1H5*        U  13  -8.597   2.022  -7.134
  135   2H5*    U  13          2H5*        U  13  -8.430   3.733  -6.685
  136    H4*    U  13           H4*        U  13  -6.696   3.028  -8.301
  137    H3*    U  13           H3*        U  13  -5.958   1.004  -6.121
  138   1H2*    U  13           H2*        U  13  -3.644   1.325  -6.779
  139   2HO*    U  13          2HO*        U  13  -3.320   1.630  -8.846
  140    H1*    U  13           H1*        U  13  -3.766   4.073  -6.951
  141    H3     U  13           H3         U  13  -1.513   3.139  -3.070
  142    H5     U  13           H5         U  13  -5.597   2.863  -2.073
  143    H6     U  13           H6         U  13  -6.113   3.029  -4.438
  144   1H5*    U  14          1H5*        U  14  -3.729  -1.320 -10.382
  145   2H5*    U  14          2H5*        U  14  -4.079   0.381 -10.007
  146    H4*    U  14           H4*        U  14  -1.714   0.138 -10.509
  147    H3*    U  14           H3*        U  14  -1.746  -2.044  -8.356
  148   1H2*    U  14           H2*        U  14   0.512  -1.351  -7.797
  149   2HO*    U  14          2HO*        U  14   1.006  -1.030 -10.139
  150    H1*    U  14           H1*        U  14   0.007   1.357  -7.853
  151    H3     U  14           H3         U  14   0.131   0.672  -3.394
  152    H5     U  14           H5         U  14  -3.363  -1.351  -4.588
  153    H6     U  14           H6         U  14  -2.790  -0.841  -6.890
  154   1H5*    U  15          1H5*        U  15   2.353  -4.076 -11.068
  155   2H5*    U  15          2H5*        U  15   1.945  -2.360 -10.865
  156    H4*    U  15           H4*        U  15   4.243  -2.749 -10.159
  157    H3*    U  15           H3*        U  15   3.040  -4.861  -8.282
  158   1H2*    U  15           H2*        U  15   4.856  -4.291  -6.760
  159   2HO*    U  15          2HO*        U  15   6.386  -4.069  -8.590
  160    H1*    U  15           H1*        U  15   4.575  -1.560  -7.045
  161    H3     U  15           H3         U  15   2.706  -2.266  -2.991
  162    H5     U  15           H5         U  15  -0.141  -3.824  -5.678
  163    H6     U  15           H6         U  15   1.451  -3.430  -7.474
  164   1H5*    G  16          1H5*        G  16   7.440  -7.445  -8.392
  165   2H5*    G  16          2H5*        G  16   7.156  -5.698  -8.258
  166    H4*    G  16           H4*        G  16   8.439  -6.493  -6.339
  167    H3*    G  16           H3*        G  16   6.096  -8.427  -5.912
  168   1H2*    G  16           H2*        G  16   6.486  -8.169  -3.562
  169   2HO*    G  16          2HO*        G  16   8.704  -8.451  -3.508
  170    H1*    G  16           H1*        G  16   7.176  -5.453  -3.638
  171    H8     G  16           H8         G  16   4.034  -5.879  -5.653
  172    H1     G  16           H1         G  16   3.047  -6.049   0.690
  173   1H2     G  16          1H2         G  16   4.995  -6.205   1.740
  174   2H2     G  16          2H2         G  16   6.501  -6.365   0.869
  175   1H5*    U  17          1H5*        U  17  10.198 -11.183  -3.617
  176   2H5*    U  17          2H5*        U  17  10.258  -9.419  -3.428
  177    H4*    U  17           H4*        U  17  10.716 -10.502  -1.290
  178    H3*    U  17           H3*        U  17   8.034 -11.922  -1.734
  179   1H2*    U  17           H2*        U  17   7.762 -11.846   0.686
  180   2HO*    U  17          2HO*        U  17  10.262 -12.157   0.794
  181    H1*    U  17           H1*        U  17   8.510  -9.213   0.959
  182    H3     U  17           H3         U  17   3.906  -9.581   1.256
  183    H5     U  17           H5         U  17   4.768  -9.048  -2.829
  184    H6     U  17           H6         U  17   7.123  -9.319  -2.290
  185   1H5*    C  18          1H5*        C  18   9.583 -15.511   1.566
  186   2H5*    C  18          2H5*        C  18   9.870 -13.759   1.514
  187    H4*    C  18           H4*        C  18   8.668 -14.346   3.553
  188    H3*    C  18           H3*        C  18   6.575 -15.522   1.655
  189   1H2*    C  18           H2*        C  18   4.967 -14.967   3.372
  190   2HO*    C  18          2HO*        C  18   5.823 -13.997   5.367
  191    H1*    C  18           H1*        C  18   5.972 -12.426   3.752
  192   1H4     C  18          1H4         C  18   1.549 -11.747  -0.749
  193   2H4     C  18          2H4         C  18   2.601 -12.428  -1.971
  194    H5     C  18           H5         C  18   4.823 -13.345  -1.430
  195    H6     C  18           H6         C  18   6.427 -13.729   0.360
  196    H3T    C  18          3HO*        C  18   7.516 -16.369   4.214
  197   1HN1  NCO   1          1H1       NCO   1   3.345   3.965   1.999
  198   2HN1  NCO   1          2H1       NCO   1   2.927   5.302   1.187
  199   3HN1  NCO   1          3H1       NCO   1   1.871   4.624   2.242
  200   1HN2  NCO   1          1H1       NCO   1   1.187   1.164  -1.075
  201   2HN2  NCO   1          2H1       NCO   1   0.227   2.440  -1.576
  202   3HN2  NCO   1          3H1       NCO   1   1.739   2.286  -2.113
  203   1HN3  NCO   1          1H1       NCO   1   2.479   0.944   0.703
  204   2HN3  NCO   1          2H1       NCO   1   2.419   1.835   2.045
  205   3HN3  NCO   1          3H1       NCO   1   1.026   1.285   1.390
  206   1HN4  NCO   1          1H1       NCO   1   2.668   5.279  -1.276
  207   2HN4  NCO   1          2H1       NCO   1   1.105   5.079  -1.608
  208   3HN4  NCO   1          3H1       NCO   1   1.576   5.852  -0.244
  209   1HN5  NCO   1          1H1       NCO   1  -0.616   2.786   0.259
  210   2HN5  NCO   1          2H1       NCO   1  -0.254   4.128   1.136
  211   3HN5  NCO   1          3H1       NCO   1  -0.384   4.224  -0.491
  212   1HN6  NCO   1          1H1       NCO   1   4.009   3.004  -1.194
  213   2HN6  NCO   1          2H1       NCO   1   4.354   3.810   0.155
  214   3HN6  NCO   1          3H1       NCO   1   4.149   2.188   0.203
   
  No H/Q in entry =         214


Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Thursday, March 28, 2024 5:32:02 PM GMT (wattos1)