NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
597652 |
2n7o   |
25814 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ACE 3 2H1 ACE 3 2.876 -2.846 1.712
2 H2 ACE 3 3H1 ACE 3 3.799 -1.877 2.887
3 H3 ACE 3 1H1 ACE 3 3.997 -3.648 2.842
4 H NLE 4 H NLE 4 0.371 -2.590 4.503
5 HA NLE 4 HA NLE 4 0.490 -2.409 1.639
6 HB2 NLE 4 2HB NLE 4 -1.573 -2.432 2.907
7 HB3 NLE 4 1HB NLE 4 -1.547 -1.139 1.746
8 HG2 NLE 4 2HG NLE 4 -1.154 0.562 3.503
9 HG3 NLE 4 1HG NLE 4 -0.979 -0.641 4.747
10 HD2 NLE 4 2HD NLE 4 -3.357 -1.365 4.492
11 HD3 NLE 4 1HD NLE 4 -3.582 -0.279 3.123
12 HE1 NLE 4 3HE NLE 4 -2.871 0.632 6.007
13 HE2 NLE 4 1HE NLE 4 -3.076 1.730 4.624
14 HE3 NLE 4 2HE NLE 4 -4.462 0.791 5.222
15 H ASP 5 H ASP 5 0.720 -0.791 0.154
16 HA ASP 5 HA ASP 5 2.961 1.143 0.899
17 HB2 ASP 5 HB2 ASP 5 2.143 -0.123 -1.783
18 HB3 ASP 5 1HB ASP 5 3.383 1.097 -1.623
19 HA PRO 6 HA PRO 6 0.044 4.571 0.171
20 HB2 PRO 6 HB2 PRO 6 1.798 6.736 -0.121
21 HB3 PRO 6 1HB PRO 6 1.332 5.967 1.404
22 HG2 PRO 6 HG2 PRO 6 3.818 5.387 -0.292
23 HG3 PRO 6 1HG PRO 6 3.751 5.713 1.457
24 HD2 PRO 6 HD2 PRO 6 3.897 3.152 0.534
25 HD3 PRO 6 1HD PRO 6 2.816 3.507 1.922
26 HA PRO 7 HA PRO 7 -1.129 6.488 -0.748
27 HB2 PRO 7 HB2 PRO 7 -3.200 7.020 -2.447
28 HB3 PRO 7 1HB PRO 7 -1.616 7.781 -2.625
29 HG2 PRO 7 HG2 PRO 7 -2.655 5.305 -4.131
30 HG3 PRO 7 1HG PRO 7 -1.992 6.799 -4.841
31 HD2 PRO 7 HD2 PRO 7 -0.419 4.549 -4.392
32 HD3 PRO 7 1HD PRO 7 0.260 6.195 -4.247
33 HE1 4J2 8 1HE BNA 8 0.990 3.884 3.716
34 HE3 4J2 8 3HE BNA 8 -4.120 6.068 3.913
35 HE4 4J2 8 4HE BNA 8 -3.166 7.702 5.478
36 H 4J2 8 H BNA 8 -1.225 3.353 -1.007
37 HA 4J2 8 HA BNA 8 -4.061 2.974 0.073
38 HB2 4J2 8 2HB BNA 8 -3.273 1.498 1.709
39 HB1 4J2 8 1HB BNA 8 -1.701 1.305 1.019
40 HD1 4J2 8 1HD BNA 8 0.036 2.278 2.138
41 HD2 4J2 8 2HD BNA 8 -3.789 4.023 2.411
42 HZ2 4J2 8 2HZ BNA 8 0.685 5.841 5.162
43 HZ23 4J2 8 3HZ BNA 8 -0.784 7.600 6.106
44 H ARG 9 H ARG 9 -1.323 1.175 -1.271
45 HA ARG 9 HA ARG 9 -3.209 -0.730 -2.782
46 HB2 ARG 9 1HB ARG 9 -0.223 -0.117 -3.198
47 HB3 ARG 9 HB2 ARG 9 -1.163 -1.224 -4.171
48 HG2 ARG 9 1HG ARG 9 -2.551 0.591 -5.125
49 HG3 ARG 9 HG2 ARG 9 -1.907 1.769 -3.991
50 HD2 ARG 9 1HD ARG 9 0.407 1.495 -4.970
51 HD3 ARG 9 HD2 ARG 9 -0.248 0.370 -6.187
52 HH11 ARG 9 HH12 ARG 9 1.485 2.156 -6.754
53 HH12 ARG 9 HH11 ARG 9 1.610 3.578 -7.918
54 HH21 ARG 9 HH21 ARG 9 -1.737 4.143 -7.628
55 HH22 ARG 9 HH22 ARG 9 -0.142 4.663 -8.405
56 H TRP 10 H TRP 10 -2.962 -2.953 -2.417
57 HA TRP 10 HA TRP 10 -1.729 -3.649 0.256
58 HB2 TRP 10 1HB TRP 10 -4.134 -4.113 -0.053
59 HB3 TRP 10 HB2 TRP 10 -3.788 -5.175 -1.412
60 HD1 TRP 10 HD TRP 10 -2.908 -7.585 -0.899
61 HE1 TRP 10 1HE TRP 10 -2.438 -9.106 1.262
62 HE3 TRP 10 3HE TRP 10 -3.371 -3.855 2.493
63 HZ2 TRP 10 2HZ TRP 10 -2.230 -8.479 4.038
64 HZ3 TRP 10 3HZ TRP 10 -2.922 -4.322 4.887
65 HH2 TRP 10 HH TRP 10 -2.361 -6.598 5.647
66 H LYS 11 H LYS 11 0.022 -4.647 0.313
67 HA LYS 11 HA LYS 11 1.436 -5.677 -2.160
68 HB2 LYS 11 HB2 LYS 11 2.240 -3.736 -0.726
69 HB3 LYS 11 1HB LYS 11 2.526 -4.854 0.603
70 HG2 LYS 11 HG2 LYS 11 4.206 -6.073 -0.710
71 HG3 LYS 11 1HG LYS 11 3.853 -5.154 -2.163
72 HD2 LYS 11 HD2 LYS 11 4.813 -3.702 0.403
73 HD3 LYS 11 1HD LYS 11 5.943 -4.561 -0.609
74 HE2 LYS 11 HE2 LYS 11 6.105 -2.298 -1.291
75 HE3 LYS 11 1HE LYS 11 5.332 -3.155 -2.600
76 HZ1 LYS 11 HZ LYS 11 3.254 -1.906 -2.227
77 HN1 NH2 12 H NH2 12 0.994 -7.010 1.240
78 HN2 NH2 12 2HN NH2 12 1.439 -8.693 0.642
Start of MODEL 2
1 H1 ACE 3 2H1 ACE 3 1.778 -4.344 5.511
2 H2 ACE 3 3H1 ACE 3 3.508 -4.065 5.195
3 H3 ACE 3 1H1 ACE 3 2.558 -2.816 6.038
4 H NLE 4 H NLE 4 0.478 -2.325 4.707
5 HA NLE 4 HA NLE 4 0.568 -2.449 1.795
6 HB2 NLE 4 2HB NLE 4 -1.509 -2.444 3.005
7 HB3 NLE 4 1HB NLE 4 -1.484 -1.163 1.830
8 HG2 NLE 4 2HG NLE 4 -1.126 0.554 3.599
9 HG3 NLE 4 1HG NLE 4 -1.025 -0.655 4.845
10 HD2 NLE 4 2HD NLE 4 -3.388 -1.381 4.437
11 HD3 NLE 4 1HD NLE 4 -3.531 -0.259 3.086
12 HE1 NLE 4 3HE NLE 4 -2.998 0.572 6.028
13 HE2 NLE 4 1HE NLE 4 -3.117 1.707 4.662
14 HE3 NLE 4 2HE NLE 4 -4.536 0.752 5.149
15 H ASP 5 H ASP 5 0.696 -0.846 0.229
16 HA ASP 5 HA ASP 5 2.992 1.073 0.839
17 HB2 ASP 5 HB2 ASP 5 2.137 -0.371 -1.741
18 HB3 ASP 5 1HB ASP 5 3.264 0.959 -1.742
19 HA PRO 6 HA PRO 6 0.005 4.421 0.148
20 HB2 PRO 6 HB2 PRO 6 1.695 6.650 0.041
21 HB3 PRO 6 1HB PRO 6 1.228 5.772 1.505
22 HG2 PRO 6 HG2 PRO 6 3.762 5.376 -0.177
23 HG3 PRO 6 1HG PRO 6 3.654 5.597 1.588
24 HD2 PRO 6 HD2 PRO 6 3.892 3.099 0.512
25 HD3 PRO 6 1HD PRO 6 2.791 3.340 1.907
26 HA PRO 7 HA PRO 7 -1.121 6.416 -0.618
27 HB2 PRO 7 HB2 PRO 7 -3.145 7.138 -2.303
28 HB3 PRO 7 1HB PRO 7 -1.550 7.897 -2.358
29 HG2 PRO 7 HG2 PRO 7 -2.568 5.605 -4.140
30 HG3 PRO 7 1HG PRO 7 -1.868 7.155 -4.672
31 HD2 PRO 7 HD2 PRO 7 -0.322 4.856 -4.421
32 HD3 PRO 7 1HD PRO 7 0.361 6.469 -4.068
33 HE1 4J2 8 1HE BNA 8 0.875 3.738 3.644
34 HE3 4J2 8 3HE BNA 8 -4.270 5.846 3.744
35 HE4 4J2 8 4HE BNA 8 -3.374 7.484 5.338
36 H 4J2 8 H BNA 8 -1.243 3.323 -1.155
37 HA 4J2 8 HA BNA 8 -4.075 2.911 -0.088
38 HB2 4J2 8 2HB BNA 8 -3.253 1.307 1.441
39 HB1 4J2 8 1HB BNA 8 -1.674 1.232 0.738
40 HD1 4J2 8 1HD BNA 8 -0.016 2.147 2.019
41 HD2 4J2 8 2HD BNA 8 -3.870 3.832 2.220
42 HZ2 4J2 8 2HZ BNA 8 0.517 5.700 5.078
43 HZ23 4J2 8 3HZ BNA 8 -1.002 7.422 6.007
44 H ARG 9 H ARG 9 -1.425 1.149 -1.607
45 HA ARG 9 HA ARG 9 -3.376 -0.956 -2.713
46 HB2 ARG 9 1HB ARG 9 -0.553 -0.138 -3.600
47 HB3 ARG 9 HB2 ARG 9 -1.092 -1.755 -3.904
48 HG2 ARG 9 1HG ARG 9 -2.957 0.505 -4.805
49 HG3 ARG 9 HG2 ARG 9 -1.483 0.219 -5.700
50 HD2 ARG 9 1HD ARG 9 -3.293 -0.986 -6.779
51 HD3 ARG 9 HD2 ARG 9 -2.122 -2.139 -6.203
52 HH11 ARG 9 HH12 ARG 9 -2.166 -3.748 -5.119
53 HH12 ARG 9 HH11 ARG 9 -3.108 -5.043 -4.217
54 HH21 ARG 9 HH21 ARG 9 -5.829 -2.996 -4.065
55 HH22 ARG 9 HH22 ARG 9 -5.116 -4.649 -3.651
56 H TRP 10 H TRP 10 -2.885 -3.110 -2.238
57 HA TRP 10 HA TRP 10 -1.703 -3.518 0.517
58 HB2 TRP 10 1HB TRP 10 -4.008 -4.312 0.185
59 HB3 TRP 10 HB2 TRP 10 -3.532 -5.302 -1.183
60 HD1 TRP 10 HD TRP 10 -2.449 -7.622 -0.723
61 HE1 TRP 10 1HE TRP 10 -1.676 -9.084 1.383
62 HE3 TRP 10 3HE TRP 10 -3.210 -4.016 2.757
63 HZ2 TRP 10 2HZ TRP 10 -1.384 -8.470 4.134
64 HZ3 TRP 10 3HZ TRP 10 -2.538 -4.442 5.105
65 HH2 TRP 10 HH TRP 10 -1.640 -6.633 5.785
66 H LYS 11 H LYS 11 -0.006 -4.792 0.828
67 HA LYS 11 HA LYS 11 1.868 -5.342 -1.508
68 HB2 LYS 11 HB2 LYS 11 2.459 -3.797 0.508
69 HB3 LYS 11 1HB LYS 11 2.356 -5.204 1.534
70 HG2 LYS 11 HG2 LYS 11 4.625 -4.963 1.153
71 HG3 LYS 11 1HG LYS 11 4.188 -6.296 0.111
72 HD2 LYS 11 HD2 LYS 11 5.659 -5.001 -1.199
73 HD3 LYS 11 1HD LYS 11 4.114 -4.588 -1.890
74 HE2 LYS 11 HE2 LYS 11 5.505 -2.846 0.277
75 HE3 LYS 11 1HE LYS 11 5.917 -2.715 -1.427
76 HZ1 LYS 11 HZ LYS 11 3.022 -2.353 -1.240
77 HN1 NH2 12 H NH2 12 0.657 -8.755 -0.952
78 HN2 NH2 12 2HN NH2 12 0.462 -7.274 -2.018
Start of MODEL 3
1 H1 ACE 3 2H1 ACE 3 2.833 -5.592 2.761
2 H2 ACE 3 3H1 ACE 3 3.742 -4.188 3.374
3 H3 ACE 3 1H1 ACE 3 2.436 -4.922 4.363
4 H NLE 4 H NLE 4 2.148 -2.383 4.086
5 HA NLE 4 HA NLE 4 0.107 -1.908 1.840
6 HB2 NLE 4 2HB NLE 4 -0.046 -0.764 4.658
7 HB3 NLE 4 1HB NLE 4 -0.796 -2.284 4.179
8 HG2 NLE 4 2HG NLE 4 -2.144 -1.073 2.400
9 HG3 NLE 4 1HG NLE 4 -1.466 0.441 2.952
10 HD2 NLE 4 2HD NLE 4 -3.062 -1.453 4.795
11 HD3 NLE 4 1HD NLE 4 -3.799 -0.175 3.839
12 HE1 NLE 4 3HE NLE 4 -1.681 0.305 6.047
13 HE2 NLE 4 1HE NLE 4 -2.410 1.583 5.039
14 HE3 NLE 4 2HE NLE 4 -3.422 0.643 6.163
15 H ASP 5 H ASP 5 0.743 -0.479 0.533
16 HA ASP 5 HA ASP 5 2.897 1.596 1.271
17 HB2 ASP 5 HB2 ASP 5 2.302 0.360 -1.454
18 HB3 ASP 5 1HB ASP 5 3.553 1.525 -1.116
19 HA PRO 6 HA PRO 6 -0.120 4.910 0.173
20 HB2 PRO 6 HB2 PRO 6 2.497 6.436 -0.351
21 HB3 PRO 6 1HB PRO 6 1.029 7.017 0.465
22 HG2 PRO 6 HG2 PRO 6 3.156 6.193 1.949
23 HG3 PRO 6 1HG PRO 6 1.519 5.718 2.447
24 HD2 PRO 6 HD2 PRO 6 3.613 4.016 1.004
25 HD3 PRO 6 1HD PRO 6 2.457 3.553 2.295
26 HA PRO 7 HA PRO 7 -1.312 6.602 -0.969
27 HB2 PRO 7 HB2 PRO 7 -3.251 6.964 -2.856
28 HB3 PRO 7 1HB PRO 7 -1.698 7.804 -2.924
29 HG2 PRO 7 HG2 PRO 7 -2.477 5.236 -4.427
30 HG3 PRO 7 1HG PRO 7 -1.820 6.737 -5.126
31 HD2 PRO 7 HD2 PRO 7 -0.188 4.581 -4.462
32 HD3 PRO 7 1HD PRO 7 0.395 6.262 -4.308
33 HE1 4J2 8 1HE BNA 8 0.469 4.041 4.086
34 HE3 4J2 8 3HE BNA 8 -4.363 6.536 2.932
35 HE4 4J2 8 4HE BNA 8 -3.597 8.321 4.430
36 H 4J2 8 H BNA 8 -1.220 3.451 -1.135
37 HA 4J2 8 HA BNA 8 -4.085 2.987 -0.167
38 HB2 4J2 8 2HB BNA 8 -3.236 1.509 1.495
39 HB1 4J2 8 1HB BNA 8 -1.625 1.530 0.846
40 HD1 4J2 8 1HD BNA 8 -0.247 2.333 2.488
41 HD2 4J2 8 2HD BNA 8 -3.905 4.321 1.771
42 HZ2 4J2 8 2HZ BNA 8 0.077 6.246 5.146
43 HZ23 4J2 8 3HZ BNA 8 -1.395 8.183 5.531
44 H ARG 9 H ARG 9 -1.295 1.274 -1.556
45 HA ARG 9 HA ARG 9 -3.120 -0.908 -2.668
46 HB2 ARG 9 1HB ARG 9 -1.283 -1.702 -3.971
47 HB3 ARG 9 HB2 ARG 9 -1.532 -0.003 -4.290
48 HG2 ARG 9 1HG ARG 9 0.515 0.586 -2.945
49 HG3 ARG 9 HG2 ARG 9 0.701 -1.092 -2.438
50 HD2 ARG 9 1HD ARG 9 1.047 -1.781 -4.867
51 HD3 ARG 9 HD2 ARG 9 0.955 -0.065 -5.334
52 HH11 ARG 9 HH12 ARG 9 2.611 -1.194 -6.536
53 HH12 ARG 9 HH11 ARG 9 4.438 -1.140 -6.768
54 HH21 ARG 9 HH21 ARG 9 4.875 -0.270 -3.504
55 HH22 ARG 9 HH22 ARG 9 5.664 -0.638 -5.131
56 H TRP 10 H TRP 10 -2.790 -3.068 -2.128
57 HA TRP 10 HA TRP 10 -1.230 -3.644 0.443
58 HB2 TRP 10 1HB TRP 10 -3.624 -3.895 0.772
59 HB3 TRP 10 HB2 TRP 10 -3.775 -4.942 -0.632
60 HD1 TRP 10 HD TRP 10 -3.304 -7.468 -0.344
61 HE1 TRP 10 1HE TRP 10 -2.535 -9.144 1.606
62 HE3 TRP 10 3HE TRP 10 -2.027 -3.876 2.978
63 HZ2 TRP 10 2HZ TRP 10 -1.369 -8.691 4.172
64 HZ3 TRP 10 3HZ TRP 10 -1.005 -4.520 5.149
65 HH2 TRP 10 HH TRP 10 -0.678 -6.892 5.732
66 H LYS 11 H LYS 11 0.494 -4.681 0.087
67 HA LYS 11 HA LYS 11 0.767 -6.856 -2.064
68 HB2 LYS 11 HB2 LYS 11 3.117 -6.218 -2.270
69 HB3 LYS 11 1HB LYS 11 2.011 -4.951 -2.778
70 HG2 LYS 11 HG2 LYS 11 2.466 -3.659 -0.692
71 HG3 LYS 11 1HG LYS 11 3.519 -4.923 -0.077
72 HD2 LYS 11 HD2 LYS 11 5.159 -4.574 -1.871
73 HD3 LYS 11 1HD LYS 11 4.085 -3.533 -2.789
74 HE2 LYS 11 HE2 LYS 11 5.135 -2.814 0.040
75 HE3 LYS 11 1HE LYS 11 5.954 -2.343 -1.453
76 HZ1 LYS 11 HZ LYS 11 3.406 -1.337 -1.988
77 HN1 NH2 12 H NH2 12 -0.212 -8.060 -0.034
78 HN2 NH2 12 2HN NH2 12 1.107 -8.787 1.016
Start of MODEL 4
1 H1 ACE 3 2H1 ACE 3 3.704 -4.419 2.643
2 H2 ACE 3 3H1 ACE 3 2.794 -4.754 4.153
3 H3 ACE 3 1H1 ACE 3 2.531 -5.756 2.705
4 H NLE 4 H NLE 4 2.622 -2.317 3.457
5 HA NLE 4 HA NLE 4 0.117 -1.814 1.767
6 HB2 NLE 4 2HB NLE 4 0.426 -0.937 4.670
7 HB3 NLE 4 1HB NLE 4 -0.544 -2.303 4.105
8 HG2 NLE 4 2HG NLE 4 -2.016 -0.735 2.775
9 HG3 NLE 4 1HG NLE 4 -1.034 0.615 3.336
10 HD2 NLE 4 2HD NLE 4 -1.624 -0.038 5.767
11 HD3 NLE 4 1HD NLE 4 -2.763 -1.216 5.107
12 HE1 NLE 4 3HE NLE 4 -2.836 1.855 4.641
13 HE2 NLE 4 1HE NLE 4 -3.985 0.707 3.901
14 HE3 NLE 4 2HE NLE 4 -3.943 0.924 5.668
15 H ASP 5 H ASP 5 0.822 -0.504 0.385
16 HA ASP 5 HA ASP 5 2.985 1.590 0.984
17 HB2 ASP 5 HB2 ASP 5 2.196 0.290 -1.681
18 HB3 ASP 5 1HB ASP 5 3.438 1.499 -1.479
19 HA PRO 6 HA PRO 6 -0.220 4.738 0.260
20 HB2 PRO 6 HB2 PRO 6 1.312 7.090 0.260
21 HB3 PRO 6 1HB PRO 6 0.834 6.159 1.686
22 HG2 PRO 6 HG2 PRO 6 3.470 5.972 0.132
23 HG3 PRO 6 1HG PRO 6 3.257 6.143 1.892
24 HD2 PRO 6 HD2 PRO 6 3.732 3.697 0.779
25 HD3 PRO 6 1HD PRO 6 2.546 3.823 2.121
26 HA PRO 7 HA PRO 7 -1.544 6.534 -0.532
27 HB2 PRO 7 HB2 PRO 7 -3.541 7.093 -2.297
28 HB3 PRO 7 1HB PRO 7 -2.035 8.016 -2.256
29 HG2 PRO 7 HG2 PRO 7 -2.727 5.688 -4.143
30 HG3 PRO 7 1HG PRO 7 -2.162 7.316 -4.599
31 HD2 PRO 7 HD2 PRO 7 -0.427 5.158 -4.316
32 HD3 PRO 7 1HD PRO 7 0.093 6.824 -3.932
33 HE1 4J2 8 1HE BNA 8 0.572 4.156 3.806
34 HE3 4J2 8 3HE BNA 8 -4.638 6.028 3.295
35 HE4 4J2 8 4HE BNA 8 -3.947 7.831 4.811
36 H 4J2 8 H BNA 8 -1.274 3.470 -1.146
37 HA 4J2 8 HA BNA 8 -4.082 2.713 -0.209
38 HB2 4J2 8 2HB BNA 8 -3.194 1.334 1.466
39 HB1 4J2 8 1HB BNA 8 -1.579 1.369 0.849
40 HD1 4J2 8 1HD BNA 8 -0.097 2.417 2.225
41 HD2 4J2 8 2HD BNA 8 -4.030 3.936 1.975
42 HZ2 4J2 8 2HZ BNA 8 0.014 6.208 5.036
43 HZ23 4J2 8 3HZ BNA 8 -1.642 7.929 5.681
44 H ARG 9 H ARG 9 -1.087 1.252 -1.460
45 HA ARG 9 HA ARG 9 -2.675 -0.859 -3.014
46 HB2 ARG 9 1HB ARG 9 0.360 -0.457 -2.966
47 HB3 ARG 9 HB2 ARG 9 -0.544 -1.494 -4.043
48 HG2 ARG 9 1HG ARG 9 -1.536 0.526 -5.214
49 HG3 ARG 9 HG2 ARG 9 -0.758 1.580 -4.053
50 HD2 ARG 9 1HD ARG 9 1.527 0.273 -4.896
51 HD3 ARG 9 HD2 ARG 9 0.526 -0.075 -6.286
52 HH11 ARG 9 HH12 ARG 9 1.564 2.046 -3.628
53 HH12 ARG 9 HH11 ARG 9 2.122 3.802 -3.610
54 HH21 ARG 9 HH21 ARG 9 1.391 4.060 -6.934
55 HH22 ARG 9 HH22 ARG 9 2.143 4.860 -5.443
56 H TRP 10 H TRP 10 -2.671 -2.959 -2.297
57 HA TRP 10 HA TRP 10 -1.331 -3.588 0.375
58 HB2 TRP 10 1HB TRP 10 -3.763 -3.629 0.477
59 HB3 TRP 10 HB2 TRP 10 -3.859 -4.755 -0.870
60 HD1 TRP 10 HD TRP 10 -3.512 -7.285 -0.398
61 HE1 TRP 10 1HE TRP 10 -3.076 -8.865 1.730
62 HE3 TRP 10 3HE TRP 10 -2.486 -3.542 2.855
63 HZ2 TRP 10 2HZ TRP 10 -2.238 -8.298 4.397
64 HZ3 TRP 10 3HZ TRP 10 -1.808 -4.093 5.179
65 HH2 TRP 10 HH TRP 10 -1.679 -6.434 5.934
66 H LYS 11 H LYS 11 0.298 -4.783 0.239
67 HA LYS 11 HA LYS 11 0.622 -7.066 -1.790
68 HB2 LYS 11 HB2 LYS 11 2.988 -6.481 -1.966
69 HB3 LYS 11 1HB LYS 11 1.926 -5.208 -2.548
70 HG2 LYS 11 HG2 LYS 11 2.343 -3.899 -0.422
71 HG3 LYS 11 1HG LYS 11 3.437 -5.149 0.152
72 HD2 LYS 11 HD2 LYS 11 5.047 -4.729 -1.620
73 HD3 LYS 11 1HD LYS 11 3.927 -3.783 -2.579
74 HE2 LYS 11 HE2 LYS 11 4.954 -2.878 0.205
75 HE3 LYS 11 1HE LYS 11 5.722 -2.439 -1.325
76 HZ1 LYS 11 HZ LYS 11 2.855 -1.753 -1.469
77 HN1 NH2 12 H NH2 12 -0.499 -7.969 0.420
78 HN2 NH2 12 2HN NH2 12 0.785 -8.763 1.467
Start of MODEL 5
1 H1 ACE 3 2H1 ACE 3 2.217 -5.496 2.873
2 H2 ACE 3 3H1 ACE 3 3.151 -4.230 3.708
3 H3 ACE 3 1H1 ACE 3 1.611 -4.830 4.409
4 H NLE 4 H NLE 4 1.575 -2.297 4.253
5 HA NLE 4 HA NLE 4 -0.141 -1.551 1.827
6 HB2 NLE 4 2HB NLE 4 -0.777 0.427 3.324
7 HB3 NLE 4 1HB NLE 4 0.084 -0.318 4.620
8 HG2 NLE 4 2HG NLE 4 -1.561 -2.246 4.570
9 HG3 NLE 4 1HG NLE 4 -2.274 -1.622 3.089
10 HD2 NLE 4 2HD NLE 4 -3.753 -1.071 4.924
11 HD3 NLE 4 1HD NLE 4 -3.090 0.425 4.290
12 HE1 NLE 4 3HE NLE 4 -2.073 -1.000 6.857
13 HE2 NLE 4 1HE NLE 4 -1.473 0.562 6.238
14 HE3 NLE 4 2HE NLE 4 -3.146 0.421 6.813
15 H ASP 5 H ASP 5 0.860 -0.464 0.314
16 HA ASP 5 HA ASP 5 3.105 1.544 0.942
17 HB2 ASP 5 HB2 ASP 5 2.345 0.200 -1.709
18 HB3 ASP 5 1HB ASP 5 3.555 1.446 -1.527
19 HA PRO 6 HA PRO 6 -0.005 4.875 0.213
20 HB2 PRO 6 HB2 PRO 6 2.585 6.325 -0.567
21 HB3 PRO 6 1HB PRO 6 1.185 6.981 0.308
22 HG2 PRO 6 HG2 PRO 6 3.324 6.117 1.735
23 HG3 PRO 6 1HG PRO 6 1.696 5.662 2.288
24 HD2 PRO 6 HD2 PRO 6 3.733 3.926 0.820
25 HD3 PRO 6 1HD PRO 6 2.565 3.477 2.101
26 HA PRO 7 HA PRO 7 -1.492 6.263 -0.675
27 HB2 PRO 7 HB2 PRO 7 -3.499 6.910 -2.350
28 HB3 PRO 7 1HB PRO 7 -1.927 7.713 -2.461
29 HG2 PRO 7 HG2 PRO 7 -2.942 5.371 -4.176
30 HG3 PRO 7 1HG PRO 7 -2.262 6.915 -4.751
31 HD2 PRO 7 HD2 PRO 7 -0.720 4.585 -4.425
32 HD3 PRO 7 1HD PRO 7 -0.028 6.220 -4.254
33 HE1 4J2 8 1HE BNA 8 0.833 4.060 3.928
34 HE3 4J2 8 3HE BNA 8 -4.603 4.420 5.028
35 HE4 4J2 8 4HE BNA 8 -3.944 5.907 6.866
36 H 4J2 8 H BNA 8 -1.183 3.556 -0.353
37 HA 4J2 8 HA BNA 8 -3.974 2.683 0.358
38 HB2 4J2 8 2HB BNA 8 -2.938 0.988 1.727
39 HB1 4J2 8 1HB BNA 8 -1.377 1.212 1.029
40 HD1 4J2 8 1HD BNA 8 0.174 2.584 2.098
41 HD2 4J2 8 2HD BNA 8 -3.913 2.941 3.043
42 HZ2 4J2 8 2HZ BNA 8 0.191 5.505 5.791
43 HZ23 4J2 8 3HZ BNA 8 -1.572 6.455 7.256
44 H ARG 9 H ARG 9 -1.172 1.374 -1.359
45 HA ARG 9 HA ARG 9 -2.870 -0.705 -2.844
46 HB2 ARG 9 1HB ARG 9 0.104 0.019 -3.152
47 HB3 ARG 9 HB2 ARG 9 -0.729 -1.213 -4.068
48 HG2 ARG 9 1HG ARG 9 -2.249 0.500 -5.128
49 HG3 ARG 9 HG2 ARG 9 -1.483 1.769 -4.185
50 HD2 ARG 9 1HD ARG 9 -0.483 1.885 -6.359
51 HD3 ARG 9 HD2 ARG 9 0.761 1.214 -5.292
52 HH11 ARG 9 HH12 ARG 9 1.643 1.371 -7.387
53 HH12 ARG 9 HH11 ARG 9 2.273 0.294 -8.743
54 HH21 ARG 9 HH21 ARG 9 -0.060 -2.069 -7.986
55 HH22 ARG 9 HH22 ARG 9 1.349 -1.582 -9.078
56 H TRP 10 H TRP 10 -2.608 -2.860 -2.387
57 HA TRP 10 HA TRP 10 -1.222 -3.532 0.254
58 HB2 TRP 10 1HB TRP 10 -3.608 -3.667 0.423
59 HB3 TRP 10 HB2 TRP 10 -3.743 -4.649 -1.026
60 HD1 TRP 10 HD TRP 10 -3.670 -7.193 -0.785
61 HE1 TRP 10 1HE TRP 10 -3.199 -9.016 1.121
62 HE3 TRP 10 3HE TRP 10 -1.967 -3.922 2.686
63 HZ2 TRP 10 2HZ TRP 10 -2.071 -8.814 3.734
64 HZ3 TRP 10 3HZ TRP 10 -1.125 -4.774 4.859
65 HH2 TRP 10 HH TRP 10 -1.174 -7.184 5.372
66 H LYS 11 H LYS 11 0.478 -4.618 0.059
67 HA LYS 11 HA LYS 11 0.794 -6.953 -1.919
68 HB2 LYS 11 HB2 LYS 11 3.193 -6.486 -1.931
69 HB3 LYS 11 1HB LYS 11 2.223 -5.181 -2.595
70 HG2 LYS 11 HG2 LYS 11 2.549 -3.865 -0.463
71 HG3 LYS 11 1HG LYS 11 3.569 -5.132 0.194
72 HD2 LYS 11 HD2 LYS 11 5.303 -4.768 -1.471
73 HD3 LYS 11 1HD LYS 11 4.258 -3.849 -2.536
74 HE2 LYS 11 HE2 LYS 11 5.133 -2.853 0.266
75 HE3 LYS 11 1HE LYS 11 5.961 -2.448 -1.244
76 HZ1 LYS 11 HZ LYS 11 3.090 -1.803 -1.510
77 HN1 NH2 12 H NH2 12 -0.424 -8.079 -0.047
78 HN2 NH2 12 2HN NH2 12 0.704 -8.775 1.224
Start of MODEL 6
1 H1 ACE 3 2H1 ACE 3 2.734 -4.173 4.743
2 H2 ACE 3 3H1 ACE 3 1.152 -4.037 5.579
3 H3 ACE 3 1H1 ACE 3 1.516 -5.464 4.579
4 H NLE 4 H NLE 4 1.464 -1.934 4.289
5 HA NLE 4 HA NLE 4 0.503 -2.131 1.433
6 HB2 NLE 4 2HB NLE 4 -1.404 -2.157 2.893
7 HB3 NLE 4 1HB NLE 4 -1.389 -0.735 1.899
8 HG2 NLE 4 2HG NLE 4 -0.721 0.688 3.856
9 HG3 NLE 4 1HG NLE 4 -0.581 -0.715 4.883
10 HD2 NLE 4 2HD NLE 4 -3.014 -1.225 4.669
11 HD3 NLE 4 1HD NLE 4 -3.233 0.095 3.524
12 HE1 NLE 4 3HE NLE 4 -2.320 0.453 6.466
13 HE2 NLE 4 1HE NLE 4 -2.535 1.780 5.293
14 HE3 NLE 4 2HE NLE 4 -3.937 0.817 5.815
15 H ASP 5 H ASP 5 0.855 -0.544 0.067
16 HA ASP 5 HA ASP 5 3.034 1.482 0.828
17 HB2 ASP 5 HB2 ASP 5 2.327 0.197 -1.877
18 HB3 ASP 5 1HB ASP 5 3.508 1.461 -1.663
19 HA PRO 6 HA PRO 6 0.001 4.847 0.171
20 HB2 PRO 6 HB2 PRO 6 2.549 6.355 -0.659
21 HB3 PRO 6 1HB PRO 6 1.195 6.954 0.320
22 HG2 PRO 6 HG2 PRO 6 3.443 6.056 1.558
23 HG3 PRO 6 1HG PRO 6 1.856 5.606 2.216
24 HD2 PRO 6 HD2 PRO 6 3.773 3.884 0.586
25 HD3 PRO 6 1HD PRO 6 2.674 3.421 1.923
26 HA PRO 7 HA PRO 7 -1.398 6.617 -0.702
27 HB2 PRO 7 HB2 PRO 7 -3.504 6.137 -2.835
28 HB3 PRO 7 1HB PRO 7 -3.130 7.617 -1.942
29 HG2 PRO 7 HG2 PRO 7 -2.350 7.380 -4.536
30 HG3 PRO 7 1HG PRO 7 -1.202 8.077 -3.364
31 HD2 PRO 7 HD2 PRO 7 -1.314 5.154 -4.353
32 HD3 PRO 7 1HD PRO 7 0.090 6.258 -4.307
33 HE1 4J2 8 1HE BNA 8 0.987 4.040 3.851
34 HE3 4J2 8 3HE BNA 8 -4.352 5.577 3.986
35 HE4 4J2 8 4HE BNA 8 -3.632 7.294 5.584
36 H 4J2 8 H BNA 8 -1.246 3.419 -1.134
37 HA 4J2 8 HA BNA 8 -3.917 2.723 0.179
38 HB2 4J2 8 2HB BNA 8 -2.800 1.186 1.616
39 HB1 4J2 8 1HB BNA 8 -1.264 1.382 0.842
40 HD1 4J2 8 1HD BNA 8 0.278 2.400 2.182
41 HD2 4J2 8 2HD BNA 8 -3.740 3.643 2.426
42 HZ2 4J2 8 2HZ BNA 8 0.436 5.974 5.267
43 HZ23 4J2 8 3HZ BNA 8 -1.260 7.501 6.227
44 H ARG 9 H ARG 9 -1.137 1.262 -1.508
45 HA ARG 9 HA ARG 9 -2.937 -0.852 -2.814
46 HB2 ARG 9 1HB ARG 9 0.082 -0.410 -3.254
47 HB3 ARG 9 HB2 ARG 9 -0.954 -1.533 -4.080
48 HG2 ARG 9 1HG ARG 9 -0.862 0.038 -5.717
49 HG3 ARG 9 HG2 ARG 9 -2.315 0.623 -4.925
50 HD2 ARG 9 1HD ARG 9 -0.985 2.418 -3.748
51 HD3 ARG 9 HD2 ARG 9 0.528 1.703 -4.332
52 HH11 ARG 9 HH12 ARG 9 1.385 3.521 -4.786
53 HH12 ARG 9 HH11 ARG 9 1.833 4.603 -6.201
54 HH21 ARG 9 HH21 ARG 9 -0.981 3.686 -7.872
55 HH22 ARG 9 HH22 ARG 9 0.549 4.725 -7.868
56 H TRP 10 H TRP 10 -2.710 -3.022 -2.165
57 HA TRP 10 HA TRP 10 -1.372 -3.483 0.515
58 HB2 TRP 10 1HB TRP 10 -3.793 -3.958 0.322
59 HB3 TRP 10 HB2 TRP 10 -3.508 -5.086 -0.994
60 HD1 TRP 10 HD TRP 10 -2.715 -7.501 -0.403
61 HE1 TRP 10 1HE TRP 10 -2.323 -8.956 1.821
62 HE3 TRP 10 3HE TRP 10 -3.047 -3.635 2.844
63 HZ2 TRP 10 2HZ TRP 10 -2.027 -8.223 4.563
64 HZ3 TRP 10 3HZ TRP 10 -2.614 -4.020 5.258
65 HH2 TRP 10 HH TRP 10 -2.115 -6.281 6.104
66 H LYS 11 H LYS 11 0.266 -4.759 0.725
67 HA LYS 11 HA LYS 11 1.884 -5.682 -1.590
68 HB2 LYS 11 HB2 LYS 11 2.275 -6.015 1.447
69 HB3 LYS 11 1HB LYS 11 3.451 -6.547 0.279
70 HG2 LYS 11 HG2 LYS 11 2.551 -3.613 0.550
71 HG3 LYS 11 1HG LYS 11 3.926 -4.307 1.382
72 HD2 LYS 11 HD2 LYS 11 5.038 -4.875 -0.792
73 HD3 LYS 11 1HD LYS 11 3.684 -4.245 -1.710
74 HE2 LYS 11 HE2 LYS 11 5.404 -2.545 0.230
75 HE3 LYS 11 1HE LYS 11 5.704 -2.680 -1.504
76 HZ1 LYS 11 HZ LYS 11 2.950 -1.861 -1.321
77 HN1 NH2 12 H NH2 12 0.131 -7.713 0.886
78 HN2 NH2 12 2HN NH2 12 0.403 -9.217 -0.141
Start of MODEL 7
1 H1 ACE 3 2H1 ACE 3 2.730 -5.886 2.965
2 H2 ACE 3 3H1 ACE 3 3.830 -4.505 2.740
3 H3 ACE 3 1H1 ACE 3 2.987 -4.745 4.304
4 H NLE 4 H NLE 4 2.649 -2.417 3.491
5 HA NLE 4 HA NLE 4 0.207 -2.078 1.699
6 HB2 NLE 4 2HB NLE 4 0.316 -1.089 4.594
7 HB3 NLE 4 1HB NLE 4 -0.589 -2.496 4.030
8 HG2 NLE 4 2HG NLE 4 -2.045 -1.021 2.588
9 HG3 NLE 4 1HG NLE 4 -1.115 0.377 3.109
10 HD2 NLE 4 2HD NLE 4 -1.758 -0.204 5.562
11 HD3 NLE 4 1HD NLE 4 -2.868 -1.408 4.903
12 HE1 NLE 4 3HE NLE 4 -4.082 0.723 5.376
13 HE2 NLE 4 1HE NLE 4 -2.946 1.650 4.381
14 HE3 NLE 4 2HE NLE 4 -4.058 0.487 3.610
15 H ASP 5 H ASP 5 0.628 -0.543 0.410
16 HA ASP 5 HA ASP 5 2.928 1.422 0.953
17 HB2 ASP 5 HB2 ASP 5 2.026 0.126 -1.676
18 HB3 ASP 5 1HB ASP 5 3.326 1.284 -1.510
19 HA PRO 6 HA PRO 6 -0.248 4.648 0.242
20 HB2 PRO 6 HB2 PRO 6 1.329 6.950 0.332
21 HB3 PRO 6 1HB PRO 6 0.798 6.003 1.729
22 HG2 PRO 6 HG2 PRO 6 3.470 5.795 0.244
23 HG3 PRO 6 1HG PRO 6 3.214 5.942 2.000
24 HD2 PRO 6 HD2 PRO 6 3.673 3.507 0.841
25 HD3 PRO 6 1HD PRO 6 2.479 3.627 2.175
26 HA PRO 7 HA PRO 7 -1.441 6.685 -0.744
27 HB2 PRO 7 HB2 PRO 7 -3.136 6.229 -3.231
28 HB3 PRO 7 1HB PRO 7 -2.978 7.682 -2.233
29 HG2 PRO 7 HG2 PRO 7 -1.720 7.577 -4.635
30 HG3 PRO 7 1HG PRO 7 -0.822 8.230 -3.241
31 HD2 PRO 7 HD2 PRO 7 -0.682 5.360 -4.369
32 HD3 PRO 7 1HD PRO 7 0.659 6.478 -4.001
33 HE1 4J2 8 1HE BNA 8 0.563 3.883 3.934
34 HE3 4J2 8 3HE BNA 8 -4.525 6.055 3.372
35 HE4 4J2 8 4HE BNA 8 -3.795 7.728 5.013
36 H 4J2 8 H BNA 8 -1.303 3.453 -1.269
37 HA 4J2 8 HA BNA 8 -4.106 2.871 -0.196
38 HB2 4J2 8 2HB BNA 8 -3.220 1.353 1.389
39 HB1 4J2 8 1HB BNA 8 -1.618 1.398 0.741
40 HD1 4J2 8 1HD BNA 8 -0.144 2.266 2.245
41 HD2 4J2 8 2HD BNA 8 -3.983 4.005 1.960
42 HZ2 4J2 8 2HZ BNA 8 0.068 5.886 5.266
43 HZ23 4J2 8 3HZ BNA 8 -1.519 7.655 5.960
44 H ARG 9 H ARG 9 -1.253 1.253 -1.555
45 HA ARG 9 HA ARG 9 -3.021 -0.877 -2.896
46 HB2 ARG 9 1HB ARG 9 -0.034 -0.239 -3.294
47 HB3 ARG 9 HB2 ARG 9 -0.862 -1.596 -4.017
48 HG2 ARG 9 1HG ARG 9 -2.409 -0.054 -5.295
49 HG3 ARG 9 HG2 ARG 9 -1.611 1.336 -4.575
50 HD2 ARG 9 1HD ARG 9 -0.657 1.086 -6.766
51 HD3 ARG 9 HD2 ARG 9 0.605 0.579 -5.631
52 HH11 ARG 9 HH12 ARG 9 1.416 0.392 -7.765
53 HH12 ARG 9 HH11 ARG 9 1.999 -0.898 -8.944
54 HH21 ARG 9 HH21 ARG 9 -0.310 -3.087 -7.730
55 HH22 ARG 9 HH22 ARG 9 1.064 -2.799 -8.933
56 H TRP 10 H TRP 10 -2.716 -3.011 -2.306
57 HA TRP 10 HA TRP 10 -1.316 -3.534 0.359
58 HB2 TRP 10 1HB TRP 10 -3.740 -3.811 0.480
59 HB3 TRP 10 HB2 TRP 10 -3.744 -4.906 -0.893
60 HD1 TRP 10 HD TRP 10 -3.083 -7.403 -0.511
61 HE1 TRP 10 1HE TRP 10 -2.509 -8.990 1.567
62 HE3 TRP 10 3HE TRP 10 -2.559 -3.680 2.882
63 HZ2 TRP 10 2HZ TRP 10 -1.853 -8.432 4.287
64 HZ3 TRP 10 3HZ TRP 10 -1.881 -4.234 5.206
65 HH2 TRP 10 HH TRP 10 -1.526 -6.572 5.893
66 H LYS 11 H LYS 11 0.337 -4.702 0.268
67 HA LYS 11 HA LYS 11 1.019 -6.623 -2.042
68 HB2 LYS 11 HB2 LYS 11 2.791 -5.162 0.012
69 HB3 LYS 11 1HB LYS 11 3.374 -6.506 -0.941
70 HG2 LYS 11 HG2 LYS 11 2.945 -5.331 -3.075
71 HG3 LYS 11 1HG LYS 11 2.185 -3.984 -2.260
72 HD2 LYS 11 HD2 LYS 11 5.137 -4.813 -1.889
73 HD3 LYS 11 1HD LYS 11 4.595 -3.591 -3.014
74 HE2 LYS 11 HE2 LYS 11 4.318 -3.385 0.061
75 HE3 LYS 11 1HE LYS 11 5.572 -2.634 -0.920
76 HZ1 LYS 11 HZ LYS 11 2.743 -1.890 -1.709
77 HN1 NH2 12 H NH2 12 0.911 -6.558 1.609
78 HN2 NH2 12 2HN NH2 12 0.810 -8.395 1.649
Start of MODEL 8
1 H1 ACE 3 2H1 ACE 3 2.296 -5.081 4.445
2 H2 ACE 3 3H1 ACE 3 2.914 -5.565 2.851
3 H3 ACE 3 1H1 ACE 3 3.747 -4.277 3.761
4 H NLE 4 H NLE 4 1.954 -2.601 4.521
5 HA NLE 4 HA NLE 4 0.051 -1.926 2.238
6 HB2 NLE 4 2HB NLE 4 0.113 -0.840 5.077
7 HB3 NLE 4 1HB NLE 4 -0.846 -2.204 4.495
8 HG2 NLE 4 2HG NLE 4 -1.889 -0.499 2.754
9 HG3 NLE 4 1HG NLE 4 -1.146 0.731 3.760
10 HD2 NLE 4 2HD NLE 4 -3.116 -1.365 4.870
11 HD3 NLE 4 1HD NLE 4 -3.616 0.185 4.210
12 HE1 NLE 4 3HE NLE 4 -2.243 1.424 5.935
13 HE2 NLE 4 1HE NLE 4 -3.449 0.353 6.689
14 HE3 NLE 4 2HE NLE 4 -1.735 -0.133 6.646
15 H ASP 5 H ASP 5 0.534 -0.501 0.887
16 HA ASP 5 HA ASP 5 2.914 1.431 1.265
17 HB2 ASP 5 HB2 ASP 5 2.022 -0.217 -1.197
18 HB3 ASP 5 1HB ASP 5 3.204 1.053 -1.276
19 HA PRO 6 HA PRO 6 -0.109 4.635 0.010
20 HB2 PRO 6 HB2 PRO 6 1.532 6.814 -0.435
21 HB3 PRO 6 1HB PRO 6 1.223 6.116 1.164
22 HG2 PRO 6 HG2 PRO 6 3.616 5.558 -0.676
23 HG3 PRO 6 1HG PRO 6 3.659 6.027 1.042
24 HD2 PRO 6 HD2 PRO 6 3.852 3.386 0.233
25 HD3 PRO 6 1HD PRO 6 3.004 3.811 1.756
26 HA PRO 7 HA PRO 7 -1.229 6.337 -1.007
27 HB2 PRO 7 HB2 PRO 7 -2.743 7.502 -2.889
28 HB3 PRO 7 1HB PRO 7 -1.015 7.868 -2.782
29 HG2 PRO 7 HG2 PRO 7 -2.394 5.924 -4.716
30 HG3 PRO 7 1HG PRO 7 -1.220 7.200 -5.118
31 HD2 PRO 7 HD2 PRO 7 -0.553 4.472 -4.655
32 HD3 PRO 7 1HD PRO 7 0.605 5.818 -4.482
33 HE1 4J2 8 1HE BNA 8 0.447 2.739 2.924
34 HE3 4J2 8 3HE BNA 8 -3.230 6.734 4.104
35 HE4 4J2 8 4HE BNA 8 -1.459 7.714 5.488
36 H 4J2 8 H BNA 8 -1.639 3.784 -0.592
37 HA 4J2 8 HA BNA 8 -4.632 3.334 -0.919
38 HB2 4J2 8 2HB BNA 8 -4.783 3.157 1.234
39 HB1 4J2 8 1HB BNA 8 -3.925 1.673 1.203
40 HD1 4J2 8 1HD BNA 8 -1.319 1.792 1.500
41 HD2 4J2 8 2HD BNA 8 -3.993 4.905 2.553
42 HZ2 4J2 8 2HZ BNA 8 1.219 4.551 4.452
43 HZ23 4J2 8 3HZ BNA 8 0.748 6.632 5.659
44 H ARG 9 H ARG 9 -1.693 1.372 -0.600
45 HA ARG 9 HA ARG 9 -2.912 -0.725 -2.485
46 HB2 ARG 9 1HB ARG 9 0.003 0.267 -2.379
47 HB3 ARG 9 HB2 ARG 9 -0.627 -0.920 -3.487
48 HG2 ARG 9 1HG ARG 9 -1.382 2.072 -3.460
49 HG3 ARG 9 HG2 ARG 9 -0.222 1.330 -4.536
50 HD2 ARG 9 1HD ARG 9 -1.990 -0.062 -5.619
51 HD3 ARG 9 HD2 ARG 9 -3.216 0.515 -4.504
52 HH11 ARG 9 HH12 ARG 9 -4.011 2.336 -3.958
53 HH12 ARG 9 HH11 ARG 9 -4.682 3.935 -4.566
54 HH21 ARG 9 HH21 ARG 9 -2.776 3.720 -7.385
55 HH22 ARG 9 HH22 ARG 9 -4.071 4.661 -6.458
56 H TRP 10 H TRP 10 -2.285 -2.884 -2.181
57 HA TRP 10 HA TRP 10 -0.896 -3.542 0.471
58 HB2 TRP 10 1HB TRP 10 -3.307 -3.751 0.690
59 HB3 TRP 10 HB2 TRP 10 -3.419 -4.759 -0.745
60 HD1 TRP 10 HD TRP 10 -3.045 -7.289 -0.517
61 HE1 TRP 10 1HE TRP 10 -2.317 -9.047 1.372
62 HE3 TRP 10 3HE TRP 10 -1.764 -3.843 2.972
63 HZ2 TRP 10 2HZ TRP 10 -1.133 -8.716 3.925
64 HZ3 TRP 10 3HZ TRP 10 -0.742 -4.598 5.104
65 HH2 TRP 10 HH TRP 10 -0.425 -6.996 5.573
66 H LYS 11 H LYS 11 0.770 -4.670 0.268
67 HA LYS 11 HA LYS 11 1.452 -6.417 -2.164
68 HB2 LYS 11 HB2 LYS 11 3.076 -5.422 0.255
69 HB3 LYS 11 1HB LYS 11 3.706 -6.566 -0.893
70 HG2 LYS 11 HG2 LYS 11 3.659 -5.003 -2.748
71 HG3 LYS 11 1HG LYS 11 2.675 -3.843 -1.883
72 HD2 LYS 11 HD2 LYS 11 5.567 -4.602 -1.112
73 HD3 LYS 11 1HD LYS 11 5.121 -3.204 -2.065
74 HE2 LYS 11 HE2 LYS 11 4.362 -3.644 0.895
75 HE3 LYS 11 1HE LYS 11 5.634 -2.599 0.303
76 HZ1 LYS 11 HZ LYS 11 2.622 -2.125 -0.123
77 HN1 NH2 12 H NH2 12 -0.244 -8.035 -1.545
78 HN2 NH2 12 2HN NH2 12 0.198 -9.214 -0.212
Start of MODEL 9
1 H1 ACE 3 2H1 ACE 3 3.354 -4.828 3.750
2 H2 ACE 3 3H1 ACE 3 2.151 -4.773 5.081
3 H3 ACE 3 1H1 ACE 3 2.100 -6.088 3.885
4 H NLE 4 H NLE 4 2.109 -2.567 4.002
5 HA NLE 4 HA NLE 4 0.192 -2.380 1.629
6 HB2 NLE 4 2HB NLE 4 -0.216 -1.090 4.388
7 HB3 NLE 4 1HB NLE 4 -1.033 -2.544 3.816
8 HG2 NLE 4 2HG NLE 4 -2.110 -1.199 1.946
9 HG3 NLE 4 1HG NLE 4 -1.351 0.238 2.592
10 HD2 NLE 4 2HD NLE 4 -3.230 -1.537 4.277
11 HD3 NLE 4 1HD NLE 4 -3.809 -0.223 3.265
12 HE1 NLE 4 3HE NLE 4 -2.429 1.458 4.576
13 HE2 NLE 4 1HE NLE 4 -3.566 0.575 5.619
14 HE3 NLE 4 2HE NLE 4 -1.840 0.148 5.629
15 H ASP 5 H ASP 5 0.481 -0.681 0.378
16 HA ASP 5 HA ASP 5 2.902 1.140 0.943
17 HB2 ASP 5 HB2 ASP 5 1.999 -0.237 -1.639
18 HB3 ASP 5 1HB ASP 5 3.156 1.075 -1.621
19 HA PRO 6 HA PRO 6 0.061 4.686 0.139
20 HB2 PRO 6 HB2 PRO 6 2.756 6.001 -0.533
21 HB3 PRO 6 1HB PRO 6 1.399 6.683 0.386
22 HG2 PRO 6 HG2 PRO 6 3.539 5.659 1.717
23 HG3 PRO 6 1HG PRO 6 1.905 5.305 2.312
24 HD2 PRO 6 HD2 PRO 6 3.755 3.476 0.699
25 HD3 PRO 6 1HD PRO 6 2.657 3.075 2.060
26 HA PRO 7 HA PRO 7 -1.001 6.552 -0.883
27 HB2 PRO 7 HB2 PRO 7 -3.003 7.180 -2.630
28 HB3 PRO 7 1HB PRO 7 -1.374 7.851 -2.778
29 HG2 PRO 7 HG2 PRO 7 -2.520 5.430 -4.291
30 HG3 PRO 7 1HG PRO 7 -1.747 6.875 -4.993
31 HD2 PRO 7 HD2 PRO 7 -0.323 4.535 -4.492
32 HD3 PRO 7 1HD PRO 7 0.449 6.138 -4.333
33 HE1 4J2 8 1HE BNA 8 0.764 3.731 3.915
34 HE3 4J2 8 3HE BNA 8 -3.987 6.556 3.314
35 HE4 4J2 8 4HE BNA 8 -2.992 8.204 4.836
36 H 4J2 8 H BNA 8 -1.268 3.418 -1.169
37 HA 4J2 8 HA BNA 8 -4.116 3.199 -0.068
38 HB2 4J2 8 2HB BNA 8 -3.344 1.605 1.526
39 HB1 4J2 8 1HB BNA 8 -1.770 1.489 0.804
40 HD1 4J2 8 1HD BNA 8 -0.186 2.158 2.302
41 HD2 4J2 8 2HD BNA 8 -3.764 4.382 2.003
42 HZ2 4J2 8 2HZ BNA 8 0.595 5.881 5.120
43 HZ23 4J2 8 3HZ BNA 8 -0.720 7.876 5.736
44 H ARG 9 H ARG 9 -1.510 1.233 -1.465
45 HA ARG 9 HA ARG 9 -3.565 -0.807 -2.518
46 HB2 ARG 9 1HB ARG 9 -0.681 -0.261 -3.477
47 HB3 ARG 9 HB2 ARG 9 -1.651 -1.613 -3.996
48 HG2 ARG 9 1HG ARG 9 -2.271 1.337 -4.573
49 HG3 ARG 9 HG2 ARG 9 -1.647 0.160 -5.711
50 HD2 ARG 9 1HD ARG 9 -4.456 0.094 -4.429
51 HD3 ARG 9 HD2 ARG 9 -4.071 0.619 -6.070
52 HH11 ARG 9 HH21 ARG 9 -6.177 -0.620 -5.625
53 HH12 ARG 9 HH22 ARG 9 -6.974 -2.174 -6.212
54 HH21 ARG 9 HH11 ARG 9 -3.922 -3.649 -6.538
55 HH22 ARG 9 HH12 ARG 9 -5.753 -3.829 -6.715
56 H TRP 10 H TRP 10 -3.040 -3.028 -2.165
57 HA TRP 10 HA TRP 10 -1.597 -3.525 0.450
58 HB2 TRP 10 1HB TRP 10 -3.947 -4.275 0.308
59 HB3 TRP 10 HB2 TRP 10 -3.586 -5.272 -1.093
60 HD1 TRP 10 HD TRP 10 -2.407 -7.577 -0.700
61 HE1 TRP 10 1HE TRP 10 -1.611 -9.064 1.382
62 HE3 TRP 10 3HE TRP 10 -3.029 -3.973 2.800
63 HZ2 TRP 10 2HZ TRP 10 -1.263 -8.459 4.148
64 HZ3 TRP 10 3HZ TRP 10 -2.358 -4.424 5.146
65 HH2 TRP 10 HH TRP 10 -1.483 -6.631 5.807
66 H LYS 11 H LYS 11 0.171 -4.614 0.497
67 HA LYS 11 HA LYS 11 1.560 -5.575 -2.059
68 HB2 LYS 11 HB2 LYS 11 2.390 -3.493 -0.889
69 HB3 LYS 11 1HB LYS 11 2.700 -4.414 0.571
70 HG2 LYS 11 HG2 LYS 11 4.363 -5.819 -0.624
71 HG3 LYS 11 1HG LYS 11 4.031 -5.001 -2.144
72 HD2 LYS 11 HD2 LYS 11 4.996 -3.429 0.354
73 HD3 LYS 11 1HD LYS 11 6.120 -4.306 -0.652
74 HE2 LYS 11 HE2 LYS 11 6.223 -2.029 -1.371
75 HE3 LYS 11 1HE LYS 11 5.491 -2.951 -2.664
76 HZ1 LYS 11 HZ LYS 11 3.408 -1.715 -2.375
77 HN1 NH2 12 H NH2 12 1.269 -6.502 1.476
78 HN2 NH2 12 2HN NH2 12 1.694 -8.251 1.076
Start of MODEL 10
1 H1 ACE 3 2H1 ACE 3 2.352 -5.523 3.362
2 H2 ACE 3 3H1 ACE 3 2.969 -4.108 4.243
3 H3 ACE 3 1H1 ACE 3 1.395 -4.837 4.697
4 H NLE 4 H NLE 4 1.266 -2.303 4.310
5 HA NLE 4 HA NLE 4 -0.106 -1.897 1.631
6 HB2 NLE 4 2HB NLE 4 -1.482 -1.836 3.602
7 HB3 NLE 4 1HB NLE 4 -1.553 -0.366 2.696
8 HG2 NLE 4 2HG NLE 4 -0.316 0.915 4.391
9 HG3 NLE 4 1HG NLE 4 0.205 -0.524 5.198
10 HD2 NLE 4 2HD NLE 4 -1.479 0.226 6.618
11 HD3 NLE 4 1HD NLE 4 -2.284 -1.065 5.740
12 HE1 NLE 4 3HE NLE 4 -3.345 0.730 4.202
13 HE2 NLE 4 1HE NLE 4 -3.777 0.943 5.917
14 HE3 NLE 4 2HE NLE 4 -2.536 1.979 5.185
15 H ASP 5 H ASP 5 0.686 -0.619 0.182
16 HA ASP 5 HA ASP 5 3.001 1.278 0.833
17 HB2 ASP 5 HB2 ASP 5 2.096 0.033 -1.831
18 HB3 ASP 5 1HB ASP 5 3.401 1.185 -1.669
19 HA PRO 6 HA PRO 6 0.076 4.691 0.192
20 HB2 PRO 6 HB2 PRO 6 1.804 6.870 -0.174
21 HB3 PRO 6 1HB PRO 6 1.395 6.097 1.367
22 HG2 PRO 6 HG2 PRO 6 3.821 5.529 -0.417
23 HG3 PRO 6 1HG PRO 6 3.815 5.853 1.335
24 HD2 PRO 6 HD2 PRO 6 3.940 3.292 0.413
25 HD3 PRO 6 1HD PRO 6 2.897 3.645 1.828
26 HA PRO 7 HA PRO 7 -1.268 6.373 -0.597
27 HB2 PRO 7 HB2 PRO 7 -3.271 7.161 -2.232
28 HB3 PRO 7 1HB PRO 7 -1.662 7.885 -2.337
29 HG2 PRO 7 HG2 PRO 7 -2.792 5.628 -4.097
30 HG3 PRO 7 1HG PRO 7 -2.067 7.161 -4.644
31 HD2 PRO 7 HD2 PRO 7 -0.605 4.781 -4.406
32 HD3 PRO 7 1HD PRO 7 0.149 6.383 -4.174
33 HE1 4J2 8 1HE BNA 8 1.199 4.011 3.657
34 HE3 4J2 8 3HE BNA 8 -4.057 5.637 4.455
35 HE4 4J2 8 4HE BNA 8 -3.119 7.300 5.997
36 H 4J2 8 H BNA 8 -1.137 3.477 -0.650
37 HA 4J2 8 HA BNA 8 -3.952 2.941 0.352
38 HB2 4J2 8 2HB BNA 8 -3.039 1.344 1.846
39 HB1 4J2 8 1HB BNA 8 -1.492 1.298 1.070
40 HD1 4J2 8 1HD BNA 8 0.257 2.376 2.109
41 HD2 4J2 8 2HD BNA 8 -3.672 3.692 2.830
42 HZ2 4J2 8 2HZ BNA 8 0.852 5.893 5.195
43 HZ23 4J2 8 3HZ BNA 8 -0.685 7.439 6.371
44 H ARG 9 H ARG 9 -1.282 1.194 -1.229
45 HA ARG 9 HA ARG 9 -3.285 -0.774 -2.500
46 HB2 ARG 9 1HB ARG 9 -0.461 -0.078 -3.485
47 HB3 ARG 9 HB2 ARG 9 -1.600 -1.138 -4.274
48 HG2 ARG 9 1HG ARG 9 -1.919 1.913 -3.939
49 HG3 ARG 9 HG2 ARG 9 -1.420 1.103 -5.407
50 HD2 ARG 9 1HD ARG 9 -3.632 0.049 -5.710
51 HD3 ARG 9 HD2 ARG 9 -4.199 0.570 -4.134
52 HH11 ARG 9 HH22 ARG 9 -4.473 2.345 -3.148
53 HH12 ARG 9 HH21 ARG 9 -5.159 4.045 -3.252
54 HH21 ARG 9 HH12 ARG 9 -4.675 4.072 -6.633
55 HH22 ARG 9 HH11 ARG 9 -5.327 4.972 -5.154
56 H TRP 10 H TRP 10 -2.860 -2.980 -2.265
57 HA TRP 10 HA TRP 10 -1.207 -3.577 0.210
58 HB2 TRP 10 1HB TRP 10 -3.637 -3.945 0.340
59 HB3 TRP 10 HB2 TRP 10 -3.583 -5.058 -1.021
60 HD1 TRP 10 HD TRP 10 -2.786 -7.510 -0.586
61 HE1 TRP 10 1HE TRP 10 -2.095 -9.016 1.518
62 HE3 TRP 10 3HE TRP 10 -2.456 -3.694 2.704
63 HZ2 TRP 10 2HZ TRP 10 -1.452 -8.355 4.225
64 HZ3 TRP 10 3HZ TRP 10 -1.715 -4.138 5.034
65 HH2 TRP 10 HH TRP 10 -1.218 -6.435 5.781
66 H LYS 11 H LYS 11 0.488 -4.655 0.065
67 HA LYS 11 HA LYS 11 1.124 -6.669 -2.181
68 HB2 LYS 11 HB2 LYS 11 2.941 -5.112 -0.238
69 HB3 LYS 11 1HB LYS 11 3.508 -6.493 -1.148
70 HG2 LYS 11 HG2 LYS 11 3.017 -5.399 -3.320
71 HG3 LYS 11 1HG LYS 11 2.287 -4.019 -2.528
72 HD2 LYS 11 HD2 LYS 11 5.248 -4.860 -2.245
73 HD3 LYS 11 1HD LYS 11 4.665 -3.638 -3.349
74 HE2 LYS 11 HE2 LYS 11 4.542 -3.432 -0.263
75 HE3 LYS 11 1HE LYS 11 5.726 -2.661 -1.312
76 HZ1 LYS 11 HZ LYS 11 2.898 -1.929 -2.019
77 HN1 NH2 12 H NH2 12 1.115 -8.236 1.618
78 HN2 NH2 12 2HN NH2 12 1.343 -6.418 1.464
Contact the webmaster for help, if required. Tuesday, June 11, 2024 3:36:59 AM GMT (wattos1)