NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
4396 1f6z cing 1-original 22 MR format nomenclature mapping


  Entry H atom name         Submitted Coord H atom name
    1   1H5*    G   1          1H5*        G   1  11.010 -13.585   9.286
    2   2H5*    G   1          2H5*        G   1  10.155 -12.349  10.231
    3    H4*    G   1           H4*        G   1  10.219 -11.502   8.025
    4    H3*    G   1           H3*        G   1   7.512 -12.772   8.626
    5    H2*    G   1           H2*        G   1   6.840 -12.421   6.373
    6   2HO*    G   1          2HO*        G   1   8.847 -10.425   6.491
    7    H1*    G   1           H1*        G   1   9.329 -12.747   5.123
    8    H8     G   1           H8         G   1   6.699 -14.582   7.286
    9    H1     G   1           H1         G   1   9.059 -17.967   2.368
   10   1H2     G   1          1H2         G   1  10.769 -16.878   1.453
   11   2H2     G   1          2H2         G   1  11.184 -15.247   1.930
   12    H5T    G   1           H5T        G   1   8.410 -13.616  10.355
   13   1H5*    G   2          1H5*        G   2   7.984  -7.915   7.685
   14   2H5*    G   2          2H5*        G   2   6.375  -7.185   7.507
   15    H4*    G   2           H4*        G   2   8.162  -6.786   5.646
   16    H3*    G   2           H3*        G   2   5.253  -7.561   5.157
   17    H2*    G   2           H2*        G   2   5.699  -7.694   2.796
   18   2HO*    G   2          2HO*        G   2   7.845  -6.932   2.055
   19    H1*    G   2           H1*        G   2   8.161  -8.935   2.940
   20    H8     G   2           H8         G   2   6.028 -10.408   5.671
   21    H1     G   2           H1         G   2   4.704 -12.772  -0.149
   22   1H2     G   2          1H2         G   2   5.779 -11.603  -1.702
   23   2H2     G   2          2H2         G   2   6.647 -10.134  -1.315
   24   1H5*    A   3          1H5*        A   3   6.044  -5.310   2.042
   25   2H5*    A   3          2H5*        A   3   5.237  -3.735   2.188
   26    H4*    A   3           H4*        A   3   4.728  -4.366  -0.002
   27    H3*    A   3           H3*        A   3   2.440  -5.268   1.809
   28    H2*    A   3           H2*        A   3   1.386  -6.288  -0.098
   29   2HO*    A   3          2HO*        A   3   2.800  -5.792  -2.191
   30    H1*    A   3           H1*        A   3   3.660  -7.342  -1.265
   31    H8     A   3           H8         A   3   3.380  -7.458   2.605
   32   1H6     A   3          1H6         A   3   1.007 -13.113   1.733
   33   2H6     A   3          2H6         A   3   1.666 -12.004   2.914
   34    H2     A   3           H2         A   3   1.648 -11.256  -2.280
   35   1H5*    A   4          1H5*        A   4   1.158  -3.798  -2.247
   36   2H5*    A   4          2H5*        A   4  -0.415  -3.008  -2.019
   37    H4*    A   4           H4*        A   4  -0.268  -4.970  -3.696
   38    H3*    A   4           H3*        A   4  -2.387  -4.772  -1.505
   39    H2*    A   4           H2*        A   4  -3.267  -6.892  -2.227
   40   2HO*    A   4          2HO*        A   4  -1.951  -7.671  -4.299
   41    H1*    A   4           H1*        A   4  -0.847  -8.155  -2.708
   42    H8     A   4           H8         A   4  -0.858  -5.925   0.428
   43   1H6     A   4          1H6         A   4  -2.817 -10.978   3.437
   44   2H6     A   4          2H6         A   4  -2.139  -9.375   3.621
   45    H2     A   4           H2         A   4  -2.742 -11.915  -0.931
   46   1H5*    G   5          1H5*        G   5  -3.809  -6.253  -5.164
   47   2H5*    G   5          2H5*        G   5  -5.407  -5.631  -5.624
   48    H4*    G   5           H4*        G   5  -5.192  -8.157  -5.554
   49    H3*    G   5           H3*        G   5  -7.298  -6.713  -3.876
   50    H2*    G   5           H2*        G   5  -7.986  -8.822  -2.988
   51   2HO*    G   5          2HO*        G   5  -7.017 -10.774  -4.156
   52    H1*    G   5           H1*        G   5  -5.459 -10.079  -2.976
   53    H8     G   5           H8         G   5  -5.447  -6.586  -1.435
   54    H1     G   5           H1         G   5  -7.241 -11.256   2.588
   55   1H2     G   5          1H2         G   5  -7.613 -13.132   1.452
   56   2H2     G   5          2H2         G   5  -7.222 -13.271  -0.248
   57   1H5*    U   6          1H5*        U   6  -9.648  -9.828  -4.299
   58   2H5*    U   6          2H5*        U   6 -10.965  -9.251  -5.340
   59    H4*    U   6           H4*        U   6 -12.071  -9.963  -3.394
   60    H3*    U   6           H3*        U   6 -11.552  -6.957  -3.181
   61    H2*    U   6           H2*        U   6 -12.516  -6.999  -1.001
   62   2HO*    U   6          2HO*        U   6 -14.216  -8.232  -0.594
   63    H1*    U   6           H1*        U   6 -11.792  -9.698  -0.355
   64    H3     U   6           H3         U   6  -9.804  -7.492   3.087
   65    H5     U   6           H5         U   6  -7.855  -5.955  -0.323
   66    H6     U   6           H6         U   6  -9.395  -7.242  -1.692
   67   1H5*    U   7          1H5*        U   7 -14.331  -3.925  -4.828
   68   2H5*    U   7          2H5*        U   7 -12.832  -4.564  -5.533
   69    H4*    U   7           H4*        U   7 -13.443  -5.458  -2.765
   70    H3*    U   7           H3*        U   7 -12.862  -2.532  -3.401
   71    H2*    U   7           H2*        U   7 -11.223  -2.481  -1.657
   72   2HO*    U   7          2HO*        U   7 -12.093  -3.380   0.080
   73    H1*    U   7           H1*        U   7 -10.213  -5.066  -1.966
   74    H3     U   7           H3         U   7  -9.560  -1.844  -6.143
   75    H5     U   7           H5         U   7  -6.514  -2.654  -3.338
   76    H6     U   7           H6         U   7  -8.137  -3.940  -2.061
   77   1H5*    C   8          1H5*        C   8 -14.920  -5.026  -1.029
   78   2H5*    C   8          2H5*        C   8 -16.477  -5.848  -1.239
   79    H4*    C   8           H4*        C   8 -17.329  -5.019   0.782
   80    H3*    C   8           H3*        C   8 -15.126  -2.891   0.677
   81    H2*    C   8           H2*        C   8 -15.190  -2.875   3.084
   82   2HO*    C   8          2HO*        C   8 -17.067  -4.394   3.911
   83    H1*    C   8           H1*        C   8 -15.583  -5.634   3.416
   84   1H4     C   8          1H4         C   8  -9.388  -4.597   4.474
   85   2H4     C   8          2H4         C   8  -9.058  -4.559   2.757
   86    H5     C   8           H5         C   8 -10.831  -4.864   1.075
   87    H6     C   8           H6         C   8 -13.239  -5.026   0.739
   88   1H5*    G   9          1H5*        G   9 -17.774  -2.219   3.785
   89   2H5*    G   9          2H5*        G   9 -18.475  -0.595   3.647
   90    H4*    G   9           H4*        G   9 -17.700  -0.986   5.928
   91    H3*    G   9           H3*        G   9 -15.997   1.013   4.347
   92    H2*    G   9           H2*        G   9 -14.711   1.318   6.361
   93   2HO*    G   9          2HO*        G   9 -16.993   0.127   7.562
   94    H1*    G   9           H1*        G   9 -14.726  -1.355   7.164
   95    H8     G   9           H8         G   9 -14.100  -0.849   3.410
   96    H1     G   9           H1         G   9  -8.852  -0.431   7.083
   97   1H2     G   9          1H2         G   9  -9.434  -0.350   9.227
   98   2H2     G   9          2H2         G   9 -11.086  -0.602   9.744
   99   1H5*    G  10          1H5*        G  10 -17.282   3.220   8.396
  100   2H5*    G  10          2H5*        G  10 -16.822   4.870   7.929
  101    H4*    G  10           H4*        G  10 -15.564   3.579   9.898
  102    H3*    G  10           H3*        G  10 -14.249   5.377   7.792
  103    H2*    G  10           H2*        G  10 -12.154   4.930   8.930
  104   2HO*    G  10          2HO*        G  10 -13.664   3.569  10.931
  105    H1*    G  10           H1*        G  10 -12.560   2.228   9.254
  106    H8     G  10           H8         G  10 -13.980   3.482   5.929
  107    H1     G  10           H1         G  10  -7.709   2.147   5.793
  108   1H2     G  10          1H2         G  10  -6.945   1.866   7.859
  109   2H2     G  10          2H2         G  10  -8.024   1.784   9.235
  110   1H5*    U  11          1H5*        U  11 -13.414   8.151  11.678
  111   2H5*    U  11          2H5*        U  11 -13.031   9.618  10.754
  112    H4*    U  11           H4*        U  11 -11.181   8.381  12.223
  113    H3*    U  11           H3*        U  11 -10.730   9.612   9.459
  114    H2*    U  11           H2*        U  11  -8.410   8.934   9.724
  115   2HO*    U  11          2HO*        U  11  -8.165   7.806  12.024
  116    H1*    U  11           H1*        U  11  -8.948   6.438  10.792
  117    H3     U  11           H3         U  11  -7.277   5.981   6.522
  118    H5     U  11           H5         U  11 -11.432   6.566   6.062
  119    H6     U  11           H6         U  11 -11.543   7.098   8.429
  120   1H5*    C  12          1H5*        C  12  -8.181  11.549  11.870
  121   2H5*    C  12          2H5*        C  12  -8.285  13.306  12.106
  122    H4*    C  12           H4*        C  12  -6.073  12.983  11.395
  123    H3*    C  12           H3*        C  12  -7.794  13.665   8.964
  124    H2*    C  12           H2*        C  12  -5.809  13.467   7.601
  125   2HO*    C  12          2HO*        C  12  -3.764  13.010   8.918
  126    H1*    C  12           H1*        C  12  -4.809  11.190   8.818
  127   1H4     C  12          1H4         C  12  -8.219   9.242   3.795
  128   2H4     C  12          2H4         C  12  -9.667   9.167   4.775
  129    H5     C  12           H5         C  12  -9.749  10.063   7.071
  130    H6     C  12           H6         C  12  -8.425  11.057   8.867
  131   1H5*    U  13          1H5*        U  13  -4.955  16.364   7.501
  132   2H5*    U  13          2H5*        U  13  -6.044  17.671   6.992
  133    H4*    U  13           H4*        U  13  -4.833  16.203   5.182
  134    H3*    U  13           H3*        U  13  -7.804  16.937   5.102
  135    H2*    U  13           H2*        U  13  -7.898  15.765   2.983
  136   2HO*    U  13          2HO*        U  13  -6.184  15.680   1.765
  137    H1*    U  13           H1*        U  13  -6.519  13.550   3.824
  138    H3     U  13           H3         U  13 -11.104  12.814   3.537
  139    H5     U  13           H5         U  13 -10.279  13.887   7.535
  140    H6     U  13           H6         U  13  -8.036  14.503   6.825
  141   1H5*    U  14          1H5*        U  14  -4.339  19.610   1.951
  142   2H5*    U  14          2H5*        U  14  -5.594  20.201   0.852
  143    H4*    U  14           H4*        U  14  -3.730  19.871  -0.523
  144    H3*    U  14           H3*        U  14  -5.879  18.197  -1.139
  145    H2*    U  14           H2*        U  14  -4.971  16.157  -0.232
  146   2HO*    U  14          2HO*        U  14  -3.273  15.630  -2.165
  147    H1*    U  14           H1*        U  14  -2.151  16.943  -1.042
  148    H3     U  14           H3         U  14  -0.447  13.577   1.479
  149    H5     U  14           H5         U  14  -3.880  14.744   3.643
  150    H6     U  14           H6         U  14  -4.317  16.387   1.927
  151   1H5*    C  15          1H5*        C  15  -4.658  15.420  -3.934
  152   2H5*    C  15          2H5*        C  15  -5.563  16.061  -5.319
  153    H4*    C  15           H4*        C  15  -6.193  13.724  -4.088
  154    H3*    C  15           H3*        C  15  -7.519  15.067  -6.081
  155    H2*    C  15           H2*        C  15  -8.614  16.667  -4.555
  156   2HO*    C  15          2HO*        C  15 -10.440  14.480  -4.542
  157    H1*    C  15           H1*        C  15  -9.341  14.325  -2.758
  158   1H4     C  15          1H4         C  15 -11.123  19.853   0.068
  159   2H4     C  15          2H4         C  15  -9.531  19.929   0.790
  160    H5     C  15           H5         C  15  -7.767  18.294   0.249
  161    H6     C  15           H6         C  15  -7.217  16.328  -1.064
  162   1H5*    G  16          1H5*        G  16  -7.049   9.879  -3.573
  163   2H5*    G  16          2H5*        G  16  -7.329  11.606  -3.275
  164    H4*    G  16           H4*        G  16  -5.333  11.279  -5.350
  165    H3*    G  16           H3*        G  16  -4.785   9.778  -2.734
  166    H2*    G  16           H2*        G  16  -2.516  10.607  -2.881
  167   2HO*    G  16          2HO*        G  16  -2.874  10.391  -5.417
  168    H1*    G  16           H1*        G  16  -3.196  13.188  -3.548
  169    H8     G  16           H8         G  16  -1.728  12.143  -1.111
  170    H1     G  16           H1         G  16  -7.404  13.162   1.686
  171   1H2     G  16          1H2         G  16  -8.991  13.364   0.150
  172   2H2     G  16          2H2         G  16  -8.673  13.065  -1.545
  173   1H5*    G  17          1H5*        G  17  -2.110   8.833  -4.570
  174   2H5*    G  17          2H5*        G  17  -1.104   7.379  -4.672
  175    H4*    G  17           H4*        G  17  -0.178   8.647  -2.906
  176    H3*    G  17           H3*        G  17  -2.000   6.476  -1.748
  177    H2*    G  17           H2*        G  17  -1.354   7.270   0.441
  178   2HO*    G  17          2HO*        G  17   0.619   8.840  -0.911
  179    H1*    G  17           H1*        G  17  -1.440   9.987  -0.160
  180    H8     G  17           H8         G  17  -4.136   7.655  -1.627
  181    H1     G  17           H1         G  17  -5.718  10.450   3.919
  182   1H2     G  17          1H2         G  17  -3.962  11.487   4.775
  183   2H2     G  17          2H2         G  17  -2.466  11.664   3.884
  184   1H5*    A  18          1H5*        A  18   1.054   6.840   0.951
  185   2H5*    A  18          2H5*        A  18   1.923   5.293   0.945
  186    H4*    A  18           H4*        A  18   1.501   5.676   3.220
  187    H3*    A  18           H3*        A  18  -0.749   3.908   2.127
  188    H2*    A  18           H2*        A  18  -1.695   3.925   4.333
  189   2HO*    A  18          2HO*        A  18   0.608   5.185   5.394
  190    H1*    A  18           H1*        A  18  -1.024   6.576   4.974
  191    H8     A  18           H8         A  18  -2.625   5.659   1.547
  192   1H6     A  18          1H6         A  18  -7.971   7.226   4.253
  193   2H6     A  18          2H6         A  18  -7.211   6.712   2.763
  194    H2     A  18           H2         A  18  -4.755   7.426   7.347
  195   1H5*    C  19          1H5*        C  19   1.100   2.100   6.014
  196   2H5*    C  19          2H5*        C  19   0.467   0.442   6.060
  197    H4*    C  19           H4*        C  19  -0.211   2.244   7.910
  198    H3*    C  19           H3*        C  19  -2.060   0.156   6.652
  199    H2*    C  19           H2*        C  19  -3.818   1.051   8.060
  200   2HO*    C  19          2HO*        C  19  -1.780   2.594   9.339
  201    H1*    C  19           H1*        C  19  -3.211   3.717   7.674
  202   1H4     C  19          1H4         C  19  -7.617   2.261   3.292
  203   2H4     C  19          2H4         C  19  -6.372   1.739   2.177
  204    H5     C  19           H5         C  19  -4.030   1.422   2.885
  205    H6     C  19           H6         C  19  -2.446   1.765   4.710
  206   1H5*    C  20          1H5*        C  20  -1.395  -1.295  11.068
  207   2H5*    C  20          2H5*        C  20  -1.614  -3.057  11.055
  208    H4*    C  20           H4*        C  20  -3.270  -1.664  12.446
  209    H3*    C  20           H3*        C  20  -4.154  -3.738  10.385
  210    H2*    C  20           H2*        C  20  -6.447  -3.183  10.875
  211   2HO*    C  20          2HO*        C  20  -7.030  -2.331  12.778
  212    H1*    C  20           H1*        C  20  -6.131  -0.442  11.026
  213   1H4     C  20          1H4         C  20  -7.926  -1.830   5.060
  214   2H4     C  20          2H4         C  20  -6.251  -1.859   4.556
  215    H5     C  20           H5         C  20  -4.400  -1.480   6.140
  216    H6     C  20           H6         C  20  -3.826  -1.228   8.498
  217   1H5*    G  21          1H5*        G  21  -6.636  -4.863  13.415
  218   2H5*    G  21          2H5*        G  21  -6.280  -6.536  13.892
  219    H4*    G  21           H4*        G  21  -8.553  -6.633  13.362
  220    H3*    G  21           H3*        G  21  -7.010  -7.355  10.820
  221    H2*    G  21           H2*        G  21  -9.133  -7.586   9.718
  222   2HO*    G  21          2HO*        G  21  -9.882  -8.672  11.867
  223    H1*    G  21           H1*        G  21 -10.426  -5.459  11.011
  224    H8     G  21           H8         G  21  -6.817  -5.111   9.597
  225    H1     G  21           H1         G  21 -11.537  -3.228   5.674
  226   1H2     G  21          1H2         G  21 -13.509  -3.642   6.607
  227   2H2     G  21          2H2         G  21 -13.653  -4.456   8.148
  228   1H5*    G  22          1H5*        G  22  -8.647 -11.574  12.816
  229   2H5*    G  22          2H5*        G  22  -7.586 -12.789  12.073
  230    H4*    G  22           H4*        G  22 -10.098 -13.119  11.755
  231    H3*    G  22           H3*        G  22  -8.168 -13.018   9.388
  232    H2*    G  22           H2*        G  22 -10.051 -13.325   7.912
  233   2HO*    G  22          2HO*        G  22 -12.086 -13.956   8.752
  234    H1*    G  22           H1*        G  22 -11.797 -11.619   9.203
  235    H8     G  22           H8         G  22  -8.539  -9.832   9.471
  236    H1     G  22           H1         G  22 -10.928  -9.683   3.510
  237   1H2     G  22          1H2         G  22 -12.572 -11.165   3.315
  238   2H2     G  22          2H2         G  22 -13.144 -12.099   4.679
  239   1H5*    C  23          1H5*        C  23  -9.240 -17.410   8.667
  240   2H5*    C  23          2H5*        C  23  -7.676 -17.949   8.022
  241    H4*    C  23           H4*        C  23  -9.722 -17.807   6.416
  242    H3*    C  23           H3*        C  23  -6.951 -16.684   5.780
  243    H2*    C  23           H2*        C  23  -7.820 -15.915   3.665
  244   2HO*    C  23          2HO*        C  23 -10.280 -17.241   4.157
  245    H1*    C  23           H1*        C  23 -10.267 -15.017   4.592
  246   1H4     C  23          1H4         C  23  -6.415  -9.945   4.471
  247   2H4     C  23          2H4         C  23  -5.889 -10.277   6.107
  248    H5     C  23           H5         C  23  -6.725 -12.214   7.384
  249    H6     C  23           H6         C  23  -8.021 -14.277   7.237
  250   1H5*    U  24          1H5*        U  24  -7.210 -19.851   2.608
  251   2H5*    U  24          2H5*        U  24  -5.540 -20.384   2.324
  252    H4*    U  24           H4*        U  24  -6.732 -19.030   0.464
  253    H3*    U  24           H3*        U  24  -3.941 -18.363   1.516
  254    H2*    U  24           H2*        U  24  -3.883 -16.483   0.036
  255   2HO*    U  24          2HO*        U  24  -6.229 -17.186  -1.326
  256    H1*    U  24           H1*        U  24  -6.608 -15.806   0.172
  257    H3     U  24           H3         U  24  -3.979 -12.346   1.724
  258    H5     U  24           H5         U  24  -4.615 -14.896   5.025
  259    H6     U  24           H6         U  24  -5.581 -16.516   3.491
  260   1H5*    U  25          1H5*        U  25  -3.834 -19.564  -2.910
  261   2H5*    U  25          2H5*        U  25  -2.221 -20.105  -3.418
  262    H4*    U  25           H4*        U  25  -3.241 -18.045  -4.600
  263    H3*    U  25           H3*        U  25  -0.422 -18.113  -3.431
  264    H2*    U  25           H2*        U  25  -0.134 -15.809  -4.068
  265   2HO*    U  25          2HO*        U  25  -1.856 -14.834  -5.413
  266    H1*    U  25           H1*        U  25  -2.645 -14.905  -3.352
  267    H3     U  25           H3         U  25   0.588 -13.333  -0.444
  268    H5     U  25           H5         U  25  -0.742 -17.006   1.150
  269    H6     U  25           H6         U  25  -1.953 -17.381  -0.925
  270   1H5*    C  26          1H5*        C  26   0.473 -15.683  -6.334
  271   2H5*    C  26          2H5*        C  26   1.270 -16.656  -7.586
  272    H4*    C  26           H4*        C  26   2.680 -14.792  -7.322
  273    H3*    C  26           H3*        C  26   3.749 -17.114  -5.647
  274    H2*    C  26           H2*        C  26   5.490 -15.679  -4.850
  275   2HO*    C  26          2HO*        C  26   4.796 -13.870  -6.951
  276    H1*    C  26           H1*        C  26   4.006 -13.274  -4.811
  277   1H4     C  26          1H4         C  26   4.440 -15.091   1.273
  278   2H4     C  26          2H4         C  26   3.202 -16.306   1.047
  279    H5     C  26           H5         C  26   2.087 -16.652  -1.123
  280    H6     C  26           H6         C  26   2.124 -16.061  -3.490
  281   1H5*    C  27          1H5*        C  27   7.728 -18.672  -6.169
  282   2H5*    C  27          2H5*        C  27   6.614 -18.074  -4.924
  283    H4*    C  27           H4*        C  27   9.078 -16.496  -5.653
  284    H3*    C  27           H3*        C  27   8.921 -18.900  -3.783
  285    H2*    C  27           H2*        C  27  10.428 -17.760  -2.305
  286   2HO*    C  27          2HO*        C  27  10.672 -15.660  -4.207
  287    H1*    C  27           H1*        C  27   9.170 -15.309  -2.474
  288   1H4     C  27          1H4         C  27   6.715 -18.654   2.433
  289   2H4     C  27          2H4         C  27   5.219 -18.750   1.532
  290    H5     C  27           H5         C  27   5.094 -18.183  -0.863
  291    H6     C  27           H6         C  27   6.315 -17.209  -2.738
  292    H3T    C  27           H3T        C  27  11.311 -18.106  -4.848


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

Contact the webmaster for help, if required. Wednesday, June 26, 2024 1:30:18 AM GMT (wattos1)