NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
627057 |
6fce   |
34222 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 AC5 5 H ACP 5 1.418 -5.149 -0.143
2 HB11 AC5 5 1HB1 ACP 5 -1.653 -5.583 -0.489
3 HB12 AC5 5 2HB1 ACP 5 -2.177 -6.343 1.005
4 HB21 AC5 5 1HB2 ACP 5 0.008 -6.736 2.829
5 HB22 AC5 5 2HB2 ACP 5 1.521 -6.085 2.215
6 HG11 AC5 5 1HG2 ACP 5 -1.345 -8.326 0.119
7 HG12 AC5 5 2HG2 ACP 5 -0.300 -7.482 -1.039
8 HG21 AC5 5 1HG1 ACP 5 1.513 -7.639 0.376
9 HG22 AC5 5 2HG1 ACP 5 0.546 -8.593 1.516
10 H HIS 6 H HIS 6 0.409 -3.177 2.054
11 HA HIS 6 HA HIS 6 -1.788 -2.723 4.185
12 HB2 HIS 6 1HB HIS 6 0.745 -3.129 4.946
13 HB3 HIS 6 2HB HIS 6 1.029 -1.503 4.408
14 HD1 HIS 6 1HD HIS 6 -0.030 0.491 6.025
15 HD2 HIS 6 2HD HIS 6 -0.734 -3.579 7.070
16 HE1 HIS 6 1HE HIS 6 -0.845 0.338 8.476
17 H DPN 7 H DPN 7 -0.972 -1.548 1.241
18 HA DPN 7 HA DPN 7 -1.552 1.395 1.905
19 HB2 DPN 7 2HB DPN 7 -2.810 -0.157 -0.427
20 HB3 DPN 7 1HB DPN 7 -3.629 0.126 1.087
21 HD1 DPN 7 1HD DPN 7 -4.197 2.505 1.828
22 HD2 DPN 7 2HD DPN 7 -2.665 1.667 -2.103
23 HE1 DPN 7 1HE DPN 7 -4.968 4.711 1.047
24 HE2 DPN 7 2HE DPN 7 -3.444 3.876 -2.869
25 HZ DPN 7 HZ DPN 7 -4.593 5.400 -1.297
26 H ARG 8 H ARG 8 -0.297 2.808 0.862
27 HA ARG 8 HA ARG 8 1.329 2.531 -1.464
28 HB2 ARG 8 1HB ARG 8 2.691 4.375 -0.658
29 HB3 ARG 8 2HB ARG 8 0.996 4.670 -0.349
30 HG2 ARG 8 1HG ARG 8 1.257 4.160 2.071
31 HG3 ARG 8 2HG ARG 8 2.910 3.624 1.835
32 HD2 ARG 8 1HD ARG 8 3.555 6.008 1.076
33 HD3 ARG 8 2HD ARG 8 1.900 6.502 1.362
34 HE ARG 8 HE ARG 8 2.265 6.511 3.738
35 HH11 ARG 8 1HH1 ARG 8 5.859 4.766 3.818
36 HH12 ARG 8 2HH1 ARG 8 4.888 4.775 2.267
37 HH21 ARG 8 1HH2 ARG 8 3.399 6.522 5.470
38 HH22 ARG 8 2HH2 ARG 8 5.038 5.731 5.530
39 H TRP 9 H TRP 9 2.152 1.292 1.592
40 HA TRP 9 HA TRP 9 4.883 0.373 1.380
41 HB2 TRP 9 1HB TRP 9 2.470 -0.957 2.730
42 HB3 TRP 9 2HB TRP 9 4.097 -1.370 3.052
43 HD1 TRP 9 HD TRP 9 5.641 0.427 4.594
44 HE1 TRP 9 1HE TRP 9 4.890 2.264 6.384
45 HE3 TRP 9 3HE TRP 9 0.919 0.803 2.983
46 HZ2 TRP 9 2HZ TRP 9 2.432 3.752 6.719
47 HZ3 TRP 9 3HZ TRP 9 -0.622 2.457 3.945
48 HH2 TRP 9 HH TRP 9 0.114 3.932 5.826
49 H ASP 10 H ASP 10 2.003 -1.073 -0.127
50 HA ASP 10 HA ASP 10 3.233 -3.692 -0.810
51 HB2 ASP 10 1HB ASP 10 0.843 -2.268 -2.144
52 HB3 ASP 10 2HB ASP 10 1.261 -3.948 -2.366
53 HN1 NH2 11 2HN NH2 11 4.372 -1.391 -3.943
54 HN2 NH2 11 H NH2 11 3.466 -0.583 -2.561
Start of MODEL 2
1 H1 AC5 5 H ACP 5 1.520 -5.156 -0.118
2 HB11 AC5 5 1HB1 ACP 5 -1.142 -5.881 -0.610
3 HB12 AC5 5 2HB1 ACP 5 -2.265 -5.672 0.709
4 HB21 AC5 5 1HB2 ACP 5 0.376 -6.638 2.943
5 HB22 AC5 5 2HB2 ACP 5 1.756 -6.235 1.952
6 HG11 AC5 5 1HG2 ACP 5 -1.740 -7.818 1.664
7 HG12 AC5 5 2HG2 ACP 5 -1.468 -8.189 -0.056
8 HG21 AC5 5 1HG1 ACP 5 0.954 -7.763 0.154
9 HG22 AC5 5 2HG1 ACP 5 0.572 -8.650 1.652
10 H HIS 6 H HIS 6 0.365 -3.044 1.971
11 HA HIS 6 HA HIS 6 -1.647 -2.734 4.295
12 HB2 HIS 6 1HB HIS 6 0.953 -3.158 4.914
13 HB3 HIS 6 2HB HIS 6 1.156 -1.484 4.507
14 HD1 HIS 6 1HD HIS 6 -0.665 0.207 6.112
15 HD2 HIS 6 2HD HIS 6 0.224 -3.780 7.253
16 HE1 HIS 6 1HE HIS 6 -0.992 -0.057 8.662
17 H DPN 7 H DPN 7 -1.009 -1.480 1.383
18 HA DPN 7 HA DPN 7 -1.524 1.455 2.142
19 HB2 DPN 7 2HB DPN 7 -2.866 -0.027 -0.189
20 HB3 DPN 7 1HB DPN 7 -3.633 0.225 1.356
21 HD1 DPN 7 1HD DPN 7 -2.741 1.842 -1.819
22 HD2 DPN 7 2HD DPN 7 -4.178 2.576 2.169
23 HE1 DPN 7 1HE DPN 7 -3.520 4.078 -2.503
24 HE2 DPN 7 2HE DPN 7 -4.949 4.812 1.469
25 HZ DPN 7 HZ DPN 7 -4.620 5.566 -0.862
26 H ARG 8 H ARG 8 -0.363 2.915 1.016
27 HA ARG 8 HA ARG 8 1.300 2.652 -1.277
28 HB2 ARG 8 1HB ARG 8 2.635 4.495 -0.437
29 HB3 ARG 8 2HB ARG 8 0.944 4.783 -0.119
30 HG2 ARG 8 1HG ARG 8 1.159 4.477 2.263
31 HG3 ARG 8 2HG ARG 8 2.625 3.543 2.121
32 HD2 ARG 8 1HD ARG 8 3.840 5.709 1.259
33 HD3 ARG 8 2HD ARG 8 2.369 6.579 1.644
34 HE ARG 8 HE ARG 8 2.886 6.435 4.003
35 HH11 ARG 8 1HH1 ARG 8 5.799 3.725 3.862
36 HH12 ARG 8 2HH1 ARG 8 4.828 4.082 2.352
37 HH21 ARG 8 1HH2 ARG 8 5.385 4.823 5.610
38 HH22 ARG 8 2HH2 ARG 8 4.044 6.056 5.658
39 H TRP 9 H TRP 9 1.984 1.093 1.566
40 HA TRP 9 HA TRP 9 4.875 0.448 1.407
41 HB2 TRP 9 1HB TRP 9 2.497 -0.978 2.741
42 HB3 TRP 9 2HB TRP 9 4.126 -1.425 2.994
43 HD1 TRP 9 HD TRP 9 5.689 0.126 4.674
44 HE1 TRP 9 1HE TRP 9 4.946 1.718 6.682
45 HE3 TRP 9 3HE TRP 9 1.006 0.870 3.088
46 HZ2 TRP 9 2HZ TRP 9 2.611 3.373 7.100
47 HZ3 TRP 9 3HZ TRP 9 -0.476 2.467 4.207
48 HH2 TRP 9 HH TRP 9 0.296 3.713 6.233
49 H ASP 10 H ASP 10 2.057 -1.045 -0.187
50 HA ASP 10 HA ASP 10 3.332 -3.657 -0.729
51 HB2 ASP 10 1HB ASP 10 0.922 -2.325 -2.123
52 HB3 ASP 10 2HB ASP 10 1.354 -4.005 -2.283
53 HN1 NH2 11 2HN NH2 11 4.523 -1.654 -4.017
54 HN2 NH2 11 H NH2 11 3.625 -0.713 -2.713
Start of MODEL 3
1 H1 AC5 5 H ACP 5 1.431 -5.035 -0.117
2 HB11 AC5 5 1HB1 ACP 5 -0.888 -6.344 -0.693
3 HB12 AC5 5 2HB1 ACP 5 -2.251 -5.470 0.007
4 HB21 AC5 5 1HB2 ACP 5 0.900 -6.069 2.736
5 HB22 AC5 5 2HB2 ACP 5 1.155 -6.835 1.166
6 HG11 AC5 5 1HG2 ACP 5 -2.728 -7.298 1.476
7 HG12 AC5 5 2HG2 ACP 5 -1.730 -8.245 0.351
8 HG21 AC5 5 1HG1 ACP 5 -0.195 -8.512 2.144
9 HG22 AC5 5 2HG1 ACP 5 -1.111 -7.342 3.117
10 H HIS 6 H HIS 6 0.402 -3.247 2.157
11 HA HIS 6 HA HIS 6 -1.920 -2.696 4.125
12 HB2 HIS 6 1HB HIS 6 1.047 -1.835 4.243
13 HB3 HIS 6 2HB HIS 6 -0.154 -1.178 5.288
14 HD1 HIS 6 1HD HIS 6 -1.524 -3.096 6.972
15 HD2 HIS 6 2HD HIS 6 2.191 -4.029 5.083
16 HE1 HIS 6 1HE HIS 6 -0.408 -5.111 8.145
17 H DPN 7 H DPN 7 -1.024 -1.550 1.163
18 HA DPN 7 HA DPN 7 -1.605 1.396 1.823
19 HB2 DPN 7 2HB DPN 7 -2.764 -0.150 -0.565
20 HB3 DPN 7 1HB DPN 7 -3.648 0.138 0.913
21 HD1 DPN 7 1HD DPN 7 -2.541 1.670 -2.236
22 HD2 DPN 7 2HD DPN 7 -4.243 2.519 1.622
23 HE1 DPN 7 1HE DPN 7 -3.280 3.878 -3.039
24 HE2 DPN 7 2HE DPN 7 -4.973 4.727 0.805
25 HZ DPN 7 HZ DPN 7 -4.494 5.410 -1.522
26 H ARG 8 H ARG 8 -0.279 2.796 0.873
27 HA ARG 8 HA ARG 8 1.372 2.566 -1.434
28 HB2 ARG 8 1HB ARG 8 2.718 4.392 -0.587
29 HB3 ARG 8 2HB ARG 8 1.024 4.674 -0.259
30 HG2 ARG 8 1HG ARG 8 1.317 4.069 2.151
31 HG3 ARG 8 2HG ARG 8 2.985 3.599 1.873
32 HD2 ARG 8 1HD ARG 8 3.524 6.032 1.173
33 HD3 ARG 8 2HD ARG 8 1.859 6.451 1.511
34 HE ARG 8 HE ARG 8 2.272 6.394 3.877
35 HH11 ARG 8 1HH1 ARG 8 5.129 5.710 5.576
36 HH12 ARG 8 2HH1 ARG 8 3.452 6.420 5.579
37 HH21 ARG 8 1HH2 ARG 8 5.951 4.834 3.817
38 HH22 ARG 8 2HH2 ARG 8 4.937 4.833 2.293
39 H TRP 9 H TRP 9 2.170 1.247 1.600
40 HA TRP 9 HA TRP 9 4.905 0.336 1.348
41 HB2 TRP 9 1HB TRP 9 2.526 -1.036 2.715
42 HB3 TRP 9 2HB TRP 9 4.166 -1.418 3.016
43 HD1 TRP 9 HD TRP 9 5.692 0.442 4.535
44 HE1 TRP 9 1HE TRP 9 4.920 2.279 6.313
45 HE3 TRP 9 3HE TRP 9 0.934 0.659 2.999
46 HZ2 TRP 9 2HZ TRP 9 2.434 3.719 6.654
47 HZ3 TRP 9 3HZ TRP 9 -0.625 2.309 3.939
48 HH2 TRP 9 HH TRP 9 0.103 3.836 5.781
49 H ASP 10 H ASP 10 2.017 -1.056 -0.158
50 HA ASP 10 HA ASP 10 3.192 -3.700 -0.857
51 HB2 ASP 10 1HB ASP 10 0.835 -2.218 -2.185
52 HB3 ASP 10 2HB ASP 10 1.219 -3.903 -2.421
53 HN1 NH2 11 2HN NH2 11 4.371 -1.400 -3.975
54 HN2 NH2 11 H NH2 11 3.463 -0.585 -2.599
Start of MODEL 4
1 H1 AC5 5 H ACP 5 1.459 -5.112 -0.075
2 HB11 AC5 5 1HB1 ACP 5 -1.105 -6.032 -0.698
3 HB12 AC5 5 2HB1 ACP 5 -2.361 -5.560 0.425
4 HB21 AC5 5 1HB2 ACP 5 0.228 -6.502 2.980
5 HB22 AC5 5 2HB2 ACP 5 1.573 -6.289 1.889
6 HG11 AC5 5 1HG2 ACP 5 -2.053 -7.596 1.755
7 HG12 AC5 5 2HG2 ACP 5 -1.776 -8.204 0.103
8 HG21 AC5 5 1HG1 ACP 5 0.668 -7.939 0.329
9 HG22 AC5 5 2HG1 ACP 5 0.186 -8.623 1.903
10 H HIS 6 H HIS 6 0.373 -3.110 2.055
11 HA HIS 6 HA HIS 6 -1.864 -2.634 4.135
12 HB2 HIS 6 1HB HIS 6 1.089 -1.720 4.186
13 HB3 HIS 6 2HB HIS 6 -0.106 -1.051 5.232
14 HD1 HIS 6 1HD HIS 6 -1.414 -2.936 6.996
15 HD2 HIS 6 2HD HIS 6 2.266 -3.892 5.051
16 HE1 HIS 6 1HE HIS 6 -0.256 -4.910 8.195
17 H DPN 7 H DPN 7 -1.064 -1.551 1.135
18 HA DPN 7 HA DPN 7 -1.766 1.389 1.723
19 HB2 DPN 7 2HB DPN 7 -2.799 -0.240 -0.656
20 HB3 DPN 7 1HB DPN 7 -3.727 0.015 0.801
21 HD1 DPN 7 1HD DPN 7 -4.469 2.364 1.466
22 HD2 DPN 7 2HD DPN 7 -2.599 1.588 -2.328
23 HE1 DPN 7 1HE DPN 7 -5.278 4.529 0.615
24 HE2 DPN 7 2HE DPN 7 -3.417 3.753 -3.166
25 HZ DPN 7 HZ DPN 7 -4.754 5.228 -1.698
26 H ARG 8 H ARG 8 -0.311 2.717 0.989
27 HA ARG 8 HA ARG 8 1.251 2.741 -1.394
28 HB2 ARG 8 1HB ARG 8 2.605 3.726 1.166
29 HB3 ARG 8 2HB ARG 8 2.679 4.403 -0.438
30 HG2 ARG 8 1HG ARG 8 0.282 5.269 -0.113
31 HG3 ARG 8 2HG ARG 8 0.283 4.623 1.520
32 HD2 ARG 8 1HD ARG 8 2.242 6.752 0.467
33 HD3 ARG 8 2HD ARG 8 0.789 7.073 1.435
34 HE ARG 8 HE ARG 8 2.345 5.167 2.960
35 HH11 ARG 8 1HH1 ARG 8 4.475 7.259 4.572
36 HH12 ARG 8 2HH1 ARG 8 3.772 5.590 4.392
37 HH21 ARG 8 1HH2 ARG 8 3.922 8.829 3.235
38 HH22 ARG 8 2HH2 ARG 8 2.698 8.466 1.923
39 H TRP 9 H TRP 9 2.213 1.318 1.574
40 HA TRP 9 HA TRP 9 4.906 0.462 1.165
41 HB2 TRP 9 1HB TRP 9 2.699 -0.902 2.808
42 HB3 TRP 9 2HB TRP 9 4.377 -1.114 3.054
43 HD1 TRP 9 HD TRP 9 5.807 1.107 4.204
44 HE1 TRP 9 1HE TRP 9 4.983 3.156 5.692
45 HE3 TRP 9 3HE TRP 9 0.968 0.670 2.996
46 HZ2 TRP 9 2HZ TRP 9 2.393 4.467 5.905
47 HZ3 TRP 9 3HZ TRP 9 -0.668 2.355 3.725
48 HH2 TRP 9 HH TRP 9 0.035 4.259 5.179
49 H ASP 10 H ASP 10 2.066 -1.056 -0.165
50 HA ASP 10 HA ASP 10 3.245 -3.734 -0.784
51 HB2 ASP 10 1HB ASP 10 0.880 -2.292 -2.143
52 HB3 ASP 10 2HB ASP 10 1.279 -3.978 -2.350
53 HN1 NH2 11 2HN NH2 11 4.388 -1.459 -3.944
54 HN2 NH2 11 H NH2 11 3.444 -0.637 -2.595
Start of MODEL 5
1 H1 AC5 5 H ACP 5 1.476 -5.153 -0.107
2 HB11 AC5 5 1HB1 ACP 5 -1.144 -6.026 -0.645
3 HB12 AC5 5 2HB1 ACP 5 -2.328 -5.717 0.602
4 HB21 AC5 5 1HB2 ACP 5 0.308 -6.600 2.975
5 HB22 AC5 5 2HB2 ACP 5 1.675 -6.249 1.946
6 HG11 AC5 5 1HG2 ACP 5 -1.839 -7.805 1.732
7 HG12 AC5 5 2HG2 ACP 5 -1.554 -8.286 0.042
8 HG21 AC5 5 1HG1 ACP 5 0.870 -7.860 0.247
9 HG22 AC5 5 2HG1 ACP 5 0.468 -8.668 1.785
10 H HIS 6 H HIS 6 0.364 -3.132 1.977
11 HA HIS 6 HA HIS 6 -1.743 -2.734 4.202
12 HB2 HIS 6 1HB HIS 6 0.820 -3.131 4.916
13 HB3 HIS 6 2HB HIS 6 1.066 -1.490 4.412
14 HD1 HIS 6 1HD HIS 6 -0.081 0.451 6.059
15 HD2 HIS 6 2HD HIS 6 -0.551 -3.661 7.071
16 HE1 HIS 6 1HE HIS 6 -0.820 0.231 8.530
17 H DPN 7 H DPN 7 -0.986 -1.547 1.258
18 HA DPN 7 HA DPN 7 -1.537 1.395 1.946
19 HB2 DPN 7 2HB DPN 7 -2.833 -0.130 -0.384
20 HB3 DPN 7 1HB DPN 7 -3.633 0.152 1.141
21 HD1 DPN 7 1HD DPN 7 -2.685 1.703 -2.051
22 HD2 DPN 7 2HD DPN 7 -4.170 2.532 1.901
23 HE1 DPN 7 1HE DPN 7 -3.447 3.923 -2.794
24 HE2 DPN 7 2HE DPN 7 -4.924 4.753 1.141
25 HZ DPN 7 HZ DPN 7 -4.563 5.452 -1.204
26 H ARG 8 H ARG 8 -0.288 2.805 0.887
27 HA ARG 8 HA ARG 8 1.316 2.521 -1.452
28 HB2 ARG 8 1HB ARG 8 2.691 4.361 -0.659
29 HB3 ARG 8 2HB ARG 8 0.999 4.662 -0.332
30 HG2 ARG 8 1HG ARG 8 1.283 4.145 2.085
31 HG3 ARG 8 2HG ARG 8 2.934 3.609 1.831
32 HD2 ARG 8 1HD ARG 8 3.572 5.994 1.068
33 HD3 ARG 8 2HD ARG 8 1.921 6.488 1.373
34 HE ARG 8 HE ARG 8 2.310 6.495 3.744
35 HH11 ARG 8 1HH1 ARG 8 4.917 4.759 2.244
36 HH12 ARG 8 2HH1 ARG 8 5.904 4.747 3.784
37 HH21 ARG 8 1HH2 ARG 8 3.463 6.502 5.464
38 HH22 ARG 8 2HH2 ARG 8 5.101 5.710 5.506
39 H TRP 9 H TRP 9 2.166 1.279 1.596
40 HA TRP 9 HA TRP 9 4.895 0.365 1.358
41 HB2 TRP 9 1HB TRP 9 2.496 -0.970 2.732
42 HB3 TRP 9 2HB TRP 9 4.128 -1.382 3.038
43 HD1 TRP 9 HD TRP 9 5.685 0.417 4.563
44 HE1 TRP 9 1HE TRP 9 4.952 2.251 6.362
45 HE3 TRP 9 3HE TRP 9 0.947 0.791 3.000
46 HZ2 TRP 9 2HZ TRP 9 2.500 3.739 6.722
47 HZ3 TRP 9 3HZ TRP 9 -0.583 2.447 3.978
48 HH2 TRP 9 HH TRP 9 0.172 3.920 5.852
49 H ASP 10 H ASP 10 2.009 -1.086 -0.125
50 HA ASP 10 HA ASP 10 3.244 -3.706 -0.815
51 HB2 ASP 10 1HB ASP 10 0.827 -2.302 -2.120
52 HB3 ASP 10 2HB ASP 10 1.255 -3.979 -2.346
53 HN1 NH2 11 2HN NH2 11 4.330 -1.399 -3.960
54 HN2 NH2 11 H NH2 11 3.439 -0.596 -2.567
Start of MODEL 6
1 H1 AC5 5 H ACP 5 1.472 -5.107 -0.107
2 HB11 AC5 5 1HB1 ACP 5 -1.078 -6.018 -0.733
3 HB12 AC5 5 2HB1 ACP 5 -2.335 -5.583 0.402
4 HB21 AC5 5 1HB2 ACP 5 0.259 -6.545 2.936
5 HB22 AC5 5 2HB2 ACP 5 1.606 -6.300 1.851
6 HG11 AC5 5 1HG2 ACP 5 -2.005 -7.639 1.691
7 HG12 AC5 5 2HG2 ACP 5 -1.723 -8.213 0.026
8 HG21 AC5 5 1HG1 ACP 5 0.717 -7.928 0.259
9 HG22 AC5 5 2HG1 ACP 5 0.242 -8.647 1.819
10 H HIS 6 H HIS 6 0.379 -3.132 2.068
11 HA HIS 6 HA HIS 6 -1.871 -2.708 4.146
12 HB2 HIS 6 1HB HIS 6 1.086 -1.808 4.259
13 HB3 HIS 6 2HB HIS 6 -0.121 -1.168 5.309
14 HD1 HIS 6 1HD HIS 6 -1.455 -3.102 6.999
15 HD2 HIS 6 2HD HIS 6 2.246 -4.007 5.071
16 HE1 HIS 6 1HE HIS 6 -0.319 -5.117 8.151
17 H DPN 7 H DPN 7 -1.028 -1.545 1.186
18 HA DPN 7 HA DPN 7 -1.630 1.394 1.856
19 HB2 DPN 7 2HB DPN 7 -2.796 -0.147 -0.528
20 HB3 DPN 7 1HB DPN 7 -3.673 0.132 0.954
21 HD1 DPN 7 1HD DPN 7 -2.587 1.679 -2.194
22 HD2 DPN 7 2HD DPN 7 -4.271 2.510 1.676
23 HE1 DPN 7 1HE DPN 7 -3.339 3.887 -2.985
24 HE2 DPN 7 2HE DPN 7 -5.014 4.717 0.869
25 HZ DPN 7 HZ DPN 7 -4.549 5.409 -1.458
26 H ARG 8 H ARG 8 -0.293 2.793 0.923
27 HA ARG 8 HA ARG 8 1.318 2.556 -1.420
28 HB2 ARG 8 1HB ARG 8 2.644 4.410 -0.631
29 HB3 ARG 8 2HB ARG 8 0.958 4.675 -0.258
30 HG2 ARG 8 1HG ARG 8 1.331 4.082 2.139
31 HG3 ARG 8 2HG ARG 8 3.007 3.676 1.851
32 HD2 ARG 8 1HD ARG 8 1.813 6.498 1.386
33 HD3 ARG 8 2HD ARG 8 2.557 5.966 2.907
34 HE ARG 8 HE ARG 8 4.478 5.400 0.795
35 HH11 ARG 8 1HH1 ARG 8 6.209 8.323 0.951
36 HH12 ARG 8 2HH1 ARG 8 6.141 6.585 0.414
37 HH21 ARG 8 1HH2 ARG 8 4.574 9.213 1.996
38 HH22 ARG 8 2HH2 ARG 8 3.098 8.191 2.342
39 H TRP 9 H TRP 9 2.154 1.248 1.603
40 HA TRP 9 HA TRP 9 4.911 0.415 1.294
41 HB2 TRP 9 1HB TRP 9 2.616 -1.011 2.757
42 HB3 TRP 9 2HB TRP 9 4.278 -1.326 3.019
43 HD1 TRP 9 HD TRP 9 5.802 0.706 4.361
44 HE1 TRP 9 1HE TRP 9 5.057 2.699 5.972
45 HE3 TRP 9 3HE TRP 9 0.968 0.612 3.072
46 HZ2 TRP 9 2HZ TRP 9 2.532 4.025 6.367
47 HZ3 TRP 9 3HZ TRP 9 -0.599 2.296 3.938
48 HH2 TRP 9 HH TRP 9 0.166 4.007 5.596
49 H ASP 10 H ASP 10 2.042 -1.071 -0.134
50 HA ASP 10 HA ASP 10 3.252 -3.700 -0.809
51 HB2 ASP 10 1HB ASP 10 0.867 -2.269 -2.142
52 HB3 ASP 10 2HB ASP 10 1.273 -3.951 -2.359
53 HN1 NH2 11 2HN NH2 11 4.380 -1.443 -3.981
54 HN2 NH2 11 H NH2 11 3.455 -0.617 -2.620
Start of MODEL 7
1 H1 AC5 5 H ACP 5 1.722 -4.995 -0.117
2 HB11 AC5 5 1HB1 ACP 5 -1.027 -6.393 -0.445
3 HB12 AC5 5 2HB1 ACP 5 -1.376 -6.989 1.185
4 HB21 AC5 5 1HB2 ACP 5 0.494 -6.104 3.131
5 HB22 AC5 5 2HB2 ACP 5 1.831 -5.250 2.394
6 HG11 AC5 5 1HG2 ACP 5 0.156 -8.698 0.555
7 HG12 AC5 5 2HG2 ACP 5 1.084 -7.602 -0.490
8 HG21 AC5 5 1HG1 ACP 5 2.532 -7.241 1.282
9 HG22 AC5 5 2HG1 ACP 5 1.461 -8.066 2.429
10 H HIS 6 H HIS 6 0.319 -3.340 2.348
11 HA HIS 6 HA HIS 6 -2.545 -2.753 3.322
12 HB2 HIS 6 1HB HIS 6 -1.564 -2.205 5.495
13 HB3 HIS 6 2HB HIS 6 -1.367 -3.869 5.026
14 HD1 HIS 6 1HD HIS 6 1.117 -4.878 5.126
15 HD2 HIS 6 2HD HIS 6 0.666 -0.689 5.646
16 HE1 HIS 6 1HE HIS 6 3.359 -3.849 5.886
17 H DPN 7 H DPN 7 -1.401 -1.425 1.141
18 HA DPN 7 HA DPN 7 -1.409 1.483 2.105
19 HB2 DPN 7 2HB DPN 7 -3.081 0.470 -0.267
20 HB3 DPN 7 1HB DPN 7 -3.732 0.736 1.328
21 HD1 DPN 7 1HD DPN 7 -3.714 3.089 2.361
22 HD2 DPN 7 2HD DPN 7 -2.726 2.405 -1.771
23 HE1 DPN 7 1HE DPN 7 -4.065 5.478 1.872
24 HE2 DPN 7 2HE DPN 7 -3.083 4.795 -2.242
25 HZ DPN 7 HZ DPN 7 -3.748 6.335 -0.424
26 H ARG 8 H ARG 8 -0.155 2.859 0.972
27 HA ARG 8 HA ARG 8 1.269 2.495 -1.474
28 HB2 ARG 8 1HB ARG 8 2.725 4.286 -0.794
29 HB3 ARG 8 2HB ARG 8 1.104 4.630 -0.227
30 HG2 ARG 8 1HG ARG 8 1.789 3.825 2.108
31 HG3 ARG 8 2HG ARG 8 3.423 3.544 1.505
32 HD2 ARG 8 1HD ARG 8 3.623 6.018 0.925
33 HD3 ARG 8 2HD ARG 8 1.990 6.284 1.595
34 HE ARG 8 HE ARG 8 3.588 4.837 3.591
35 HH11 ARG 8 1HH1 ARG 8 4.722 7.529 5.320
36 HH12 ARG 8 2HH1 ARG 8 4.461 5.729 5.238
37 HH21 ARG 8 1HH2 ARG 8 4.171 8.790 3.687
38 HH22 ARG 8 2HH2 ARG 8 3.418 8.020 2.207
39 H TRP 9 H TRP 9 2.194 1.162 1.510
40 HA TRP 9 HA TRP 9 4.900 0.258 1.135
41 HB2 TRP 9 1HB TRP 9 2.595 -1.041 2.709
42 HB3 TRP 9 2HB TRP 9 4.244 -1.447 2.915
43 HD1 TRP 9 HD TRP 9 5.933 0.484 4.168
44 HE1 TRP 9 1HE TRP 9 5.363 2.462 5.855
45 HE3 TRP 9 3HE TRP 9 1.032 0.655 3.094
46 HZ2 TRP 9 2HZ TRP 9 2.930 3.950 6.348
47 HZ3 TRP 9 3HZ TRP 9 -0.398 2.414 4.066
48 HH2 TRP 9 HH TRP 9 0.531 4.051 5.704
49 H ASP 10 H ASP 10 2.041 -1.148 -0.294
50 HA ASP 10 HA ASP 10 3.281 -3.763 -1.101
51 HB2 ASP 10 1HB ASP 10 0.846 -2.321 -2.322
52 HB3 ASP 10 2HB ASP 10 1.300 -3.981 -2.637
53 HN1 NH2 11 2HN NH2 11 4.345 -1.253 -4.088
54 HN2 NH2 11 H NH2 11 3.461 -0.543 -2.642
Start of MODEL 8
1 H1 AC5 5 H ACP 5 1.420 -5.105 -0.149
2 HB11 AC5 5 1HB1 ACP 5 -1.664 -5.575 -0.519
3 HB12 AC5 5 2HB1 ACP 5 -2.135 -6.411 0.959
4 HB21 AC5 5 1HB2 ACP 5 0.012 -6.675 2.824
5 HB22 AC5 5 2HB2 ACP 5 1.518 -6.046 2.176
6 HG11 AC5 5 1HG2 ACP 5 -1.232 -8.303 -0.128
7 HG12 AC5 5 2HG2 ACP 5 -0.097 -7.326 -1.084
8 HG21 AC5 5 1HG1 ACP 5 1.546 -7.729 0.485
9 HG22 AC5 5 2HG1 ACP 5 0.407 -8.558 1.559
10 H HIS 6 H HIS 6 0.417 -3.195 2.164
11 HA HIS 6 HA HIS 6 -1.919 -2.713 4.130
12 HB2 HIS 6 1HB HIS 6 1.030 -1.795 4.262
13 HB3 HIS 6 2HB HIS 6 -0.189 -1.158 5.300
14 HD1 HIS 6 1HD HIS 6 -1.527 -3.097 6.985
15 HD2 HIS 6 2HD HIS 6 2.214 -3.963 5.112
16 HE1 HIS 6 1HE HIS 6 -0.374 -5.083 8.169
17 H DPN 7 H DPN 7 -1.050 -1.563 1.166
18 HA DPN 7 HA DPN 7 -1.611 1.383 1.830
19 HB2 DPN 7 2HB DPN 7 -2.820 -0.112 -0.563
20 HB3 DPN 7 1HB DPN 7 -3.682 0.150 0.932
21 HD1 DPN 7 1HD DPN 7 -2.575 1.757 -2.186
22 HD2 DPN 7 2HD DPN 7 -4.255 2.512 1.702
23 HE1 DPN 7 1HE DPN 7 -3.293 3.996 -2.921
24 HE2 DPN 7 2HE DPN 7 -4.965 4.750 0.952
25 HZ DPN 7 HZ DPN 7 -4.483 5.495 -1.357
26 H ARG 8 H ARG 8 -0.279 2.768 0.876
27 HA ARG 8 HA ARG 8 1.309 2.493 -1.485
28 HB2 ARG 8 1HB ARG 8 2.585 4.395 -0.769
29 HB3 ARG 8 2HB ARG 8 0.907 4.616 -0.327
30 HG2 ARG 8 1HG ARG 8 1.532 3.911 2.100
31 HG3 ARG 8 2HG ARG 8 3.206 3.828 1.577
32 HD2 ARG 8 1HD ARG 8 3.088 5.970 2.582
33 HD3 ARG 8 2HD ARG 8 3.036 6.319 0.878
34 HE ARG 8 HE ARG 8 0.604 6.783 0.980
35 HH11 ARG 8 1HH1 ARG 8 -1.078 7.715 3.781
36 HH12 ARG 8 2HH1 ARG 8 -0.979 7.696 1.964
37 HH21 ARG 8 1HH2 ARG 8 0.470 6.870 4.972
38 HH22 ARG 8 2HH2 ARG 8 1.889 6.076 4.134
39 H TRP 9 H TRP 9 2.196 1.307 1.587
40 HA TRP 9 HA TRP 9 4.898 0.359 1.330
41 HB2 TRP 9 1HB TRP 9 2.511 -1.011 2.691
42 HB3 TRP 9 2HB TRP 9 4.152 -1.386 3.006
43 HD1 TRP 9 HD TRP 9 5.681 0.537 4.471
44 HE1 TRP 9 1HE TRP 9 4.928 2.463 6.156
45 HE3 TRP 9 3HE TRP 9 0.908 0.666 2.977
46 HZ2 TRP 9 2HZ TRP 9 2.412 3.815 6.552
47 HZ3 TRP 9 3HZ TRP 9 -0.660 2.321 3.899
48 HH2 TRP 9 HH TRP 9 0.069 3.888 5.706
49 H ASP 10 H ASP 10 2.007 -1.075 -0.147
50 HA ASP 10 HA ASP 10 3.216 -3.694 -0.870
51 HB2 ASP 10 1HB ASP 10 0.827 -2.242 -2.175
52 HB3 ASP 10 2HB ASP 10 1.230 -3.924 -2.406
53 HN1 NH2 11 2HN NH2 11 4.351 -1.365 -3.982
54 HN2 NH2 11 H NH2 11 3.470 -0.566 -2.579
Start of MODEL 9
1 H1 AC5 5 H ACP 5 1.442 -5.040 -0.109
2 HB11 AC5 5 1HB1 ACP 5 -0.876 -6.368 -0.663
3 HB12 AC5 5 2HB1 ACP 5 -2.241 -5.517 0.058
4 HB21 AC5 5 1HB2 ACP 5 0.951 -6.062 2.749
5 HB22 AC5 5 2HB2 ACP 5 1.200 -6.831 1.181
6 HG11 AC5 5 1HG2 ACP 5 -2.672 -7.357 1.524
7 HG12 AC5 5 2HG2 ACP 5 -1.663 -8.285 0.394
8 HG21 AC5 5 1HG1 ACP 5 -0.117 -8.523 2.184
9 HG22 AC5 5 2HG1 ACP 5 -1.043 -7.359 3.154
10 H HIS 6 H HIS 6 0.398 -3.230 2.145
11 HA HIS 6 HA HIS 6 -1.927 -2.695 4.118
12 HB2 HIS 6 1HB HIS 6 1.008 -1.763 4.227
13 HB3 HIS 6 2HB HIS 6 -0.226 -1.204 5.312
14 HD1 HIS 6 1HD HIS 6 2.229 -2.398 6.634
15 HD2 HIS 6 2HD HIS 6 -1.184 -4.644 5.407
16 HE1 HIS 6 1HE HIS 6 2.100 -4.611 7.958
17 H DPN 7 H DPN 7 -1.034 -1.553 1.154
18 HA DPN 7 HA DPN 7 -1.614 1.392 1.813
19 HB2 DPN 7 2HB DPN 7 -2.776 -0.151 -0.574
20 HB3 DPN 7 1HB DPN 7 -3.658 0.136 0.904
21 HD1 DPN 7 1HD DPN 7 -4.254 2.517 1.614
22 HD2 DPN 7 2HD DPN 7 -2.548 1.671 -2.243
23 HE1 DPN 7 1HE DPN 7 -4.985 4.724 0.797
24 HE2 DPN 7 2HE DPN 7 -3.287 3.880 -3.046
25 HZ DPN 7 HZ DPN 7 -4.502 5.409 -1.529
26 H ARG 8 H ARG 8 -0.274 2.785 0.877
27 HA ARG 8 HA ARG 8 1.361 2.567 -1.443
28 HB2 ARG 8 1HB ARG 8 2.671 4.411 -0.619
29 HB3 ARG 8 2HB ARG 8 0.995 4.654 -0.178
30 HG2 ARG 8 1HG ARG 8 1.535 3.823 2.189
31 HG3 ARG 8 2HG ARG 8 3.228 3.666 1.717
32 HD2 ARG 8 1HD ARG 8 3.318 6.156 1.215
33 HD3 ARG 8 2HD ARG 8 1.614 6.306 1.724
34 HE ARG 8 HE ARG 8 3.095 4.924 3.851
35 HH11 ARG 8 1HH1 ARG 8 3.412 8.905 4.050
36 HH12 ARG 8 2HH1 ARG 8 2.868 8.116 2.491
37 HH21 ARG 8 1HH2 ARG 8 3.731 5.843 5.593
38 HH22 ARG 8 2HH2 ARG 8 3.870 7.653 5.717
39 H TRP 9 H TRP 9 2.187 1.250 1.595
40 HA TRP 9 HA TRP 9 4.908 0.328 1.313
41 HB2 TRP 9 1HB TRP 9 2.550 -1.041 2.721
42 HB3 TRP 9 2HB TRP 9 4.196 -1.401 3.013
43 HD1 TRP 9 HD TRP 9 5.728 0.534 4.456
44 HE1 TRP 9 1HE TRP 9 4.972 2.423 6.180
45 HE3 TRP 9 3HE TRP 9 0.937 0.626 3.013
46 HZ2 TRP 9 2HZ TRP 9 2.446 3.785 6.580
47 HZ3 TRP 9 3HZ TRP 9 -0.634 2.267 3.952
48 HH2 TRP 9 HH TRP 9 0.101 3.849 5.742
49 H ASP 10 H ASP 10 2.013 -1.063 -0.160
50 HA ASP 10 HA ASP 10 3.180 -3.712 -0.877
51 HB2 ASP 10 1HB ASP 10 0.810 -2.226 -2.174
52 HB3 ASP 10 2HB ASP 10 1.196 -3.908 -2.423
53 HN1 NH2 11 2HN NH2 11 4.333 -1.380 -3.982
54 HN2 NH2 11 H NH2 11 3.447 -0.579 -2.584
Start of MODEL 10
1 H1 AC5 5 H ACP 5 1.470 -5.156 -0.109
2 HB11 AC5 5 1HB1 ACP 5 -1.152 -6.026 -0.647
3 HB12 AC5 5 2HB1 ACP 5 -2.337 -5.712 0.598
4 HB21 AC5 5 1HB2 ACP 5 0.299 -6.603 2.972
5 HB22 AC5 5 2HB2 ACP 5 1.666 -6.257 1.941
6 HG11 AC5 5 1HG2 ACP 5 -1.855 -7.801 1.733
7 HG12 AC5 5 2HG2 ACP 5 -1.572 -8.284 0.042
8 HG21 AC5 5 1HG1 ACP 5 0.853 -7.866 0.245
9 HG22 AC5 5 2HG1 ACP 5 0.450 -8.672 1.784
10 H HIS 6 H HIS 6 0.365 -3.138 1.977
11 HA HIS 6 HA HIS 6 -1.737 -2.736 4.206
12 HB2 HIS 6 1HB HIS 6 0.829 -3.127 4.907
13 HB3 HIS 6 2HB HIS 6 1.070 -1.486 4.399
14 HD1 HIS 6 1HD HIS 6 -0.081 0.455 6.049
15 HD2 HIS 6 2HD HIS 6 -0.530 -3.658 7.069
16 HE1 HIS 6 1HE HIS 6 -0.811 0.235 8.522
17 H DPN 7 H DPN 7 -0.987 -1.548 1.255
18 HA DPN 7 HA DPN 7 -1.548 1.392 1.943
19 HB2 DPN 7 2HB DPN 7 -2.852 -0.139 -0.377
20 HB3 DPN 7 1HB DPN 7 -3.643 0.138 1.151
21 HD1 DPN 7 1HD DPN 7 -2.718 1.697 -2.043
22 HD2 DPN 7 2HD DPN 7 -4.191 2.513 1.916
23 HE1 DPN 7 1HE DPN 7 -3.498 3.914 -2.782
24 HE2 DPN 7 2HE DPN 7 -4.962 4.730 1.162
25 HZ DPN 7 HZ DPN 7 -4.616 5.433 -1.183
26 H ARG 8 H ARG 8 -0.291 2.799 0.895
27 HA ARG 8 HA ARG 8 1.283 2.524 -1.470
28 HB2 ARG 8 1HB ARG 8 2.599 4.402 -0.727
29 HB3 ARG 8 2HB ARG 8 0.932 4.647 -0.254
30 HG2 ARG 8 1HG ARG 8 1.533 3.878 2.120
31 HG3 ARG 8 2HG ARG 8 3.216 3.721 1.612
32 HD2 ARG 8 1HD ARG 8 3.278 6.197 1.054
33 HD3 ARG 8 2HD ARG 8 1.585 6.350 1.596
34 HE ARG 8 HE ARG 8 3.121 5.022 3.721
35 HH11 ARG 8 1HH1 ARG 8 3.917 7.792 5.514
36 HH12 ARG 8 2HH1 ARG 8 3.786 5.979 5.429
37 HH21 ARG 8 1HH2 ARG 8 2.841 8.184 2.301
38 HH22 ARG 8 2HH2 ARG 8 3.414 9.007 3.831
39 H TRP 9 H TRP 9 2.172 1.297 1.582
40 HA TRP 9 HA TRP 9 4.895 0.395 1.302
41 HB2 TRP 9 1HB TRP 9 2.544 -0.947 2.751
42 HB3 TRP 9 2HB TRP 9 4.189 -1.315 3.038
43 HD1 TRP 9 HD TRP 9 5.750 0.613 4.440
44 HE1 TRP 9 1HE TRP 9 5.033 2.524 6.155
45 HE3 TRP 9 3HE TRP 9 0.951 0.756 3.035
46 HZ2 TRP 9 2HZ TRP 9 2.528 3.915 6.571
47 HZ3 TRP 9 3HZ TRP 9 -0.596 2.412 3.988
48 HH2 TRP 9 HH TRP 9 0.173 3.995 5.762
49 H ASP 10 H ASP 10 2.010 -1.087 -0.124
50 HA ASP 10 HA ASP 10 3.241 -3.711 -0.812
51 HB2 ASP 10 1HB ASP 10 0.827 -2.302 -2.117
52 HB3 ASP 10 2HB ASP 10 1.253 -3.979 -2.345
53 HN1 NH2 11 2HN NH2 11 4.331 -1.401 -3.953
54 HN2 NH2 11 H NH2 11 3.441 -0.598 -2.559
Contact the webmaster for help, if required. Wednesday, May 29, 2024 8:52:41 AM GMT (wattos1)