NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
15322 |
1xy9   |
6426 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H CYS 1 1H CYS 1 6.145 -4.715 3.057
2 2H CYS 1 2H CYS 1 6.348 -5.490 4.536
3 HA CYS 1 HA CYS 1 4.138 -6.585 3.893
4 1HB CYS 1 1HB CYS 1 4.858 -4.959 5.835
5 2HB CYS 1 2HB CYS 1 3.921 -3.785 4.933
6 H LYS 2 H LYS 2 4.436 -6.398 1.369
7 HA LYS 2 HA LYS 2 3.418 -5.826 -0.515
8 1HB LYS 2 1HB LYS 2 1.636 -4.737 1.469
9 2HB LYS 2 2HB LYS 2 1.723 -3.638 0.108
10 1HG LYS 2 1HG LYS 2 1.199 -6.638 -0.126
11 2HG LYS 2 2HG LYS 2 -0.048 -5.408 -0.161
12 1HD LYS 2 1HD LYS 2 2.282 -5.551 -2.133
13 2HD LYS 2 2HD LYS 2 0.678 -6.176 -2.457
14 1HE LYS 2 1HE LYS 2 -0.245 -3.838 -2.016
15 2HE LYS 2 2HE LYS 2 1.406 -3.263 -1.894
16 1HZ LYS 2 1HZ LYS 2 0.908 -2.946 -4.132
17 2HZ LYS 2 2HZ LYS 2 1.653 -4.391 -4.208
18 H PHE 3 H PHE 3 3.248 -3.863 -2.093
19 HA PHE 3 HA PHE 3 5.622 -2.757 -2.496
20 1HB PHE 3 1HB PHE 3 2.839 -2.308 -3.219
21 2HB PHE 3 2HB PHE 3 3.573 -0.733 -2.990
22 HD1 PHE 3 HD1 PHE 3 2.935 -3.225 -5.326
23 HD2 PHE 3 HD2 PHE 3 5.973 -0.501 -4.163
24 HE1 PHE 3 HE1 PHE 3 3.934 -3.358 -7.626
25 HE2 PHE 3 HE2 PHE 3 6.971 -0.631 -6.462
26 HZ PHE 3 HZ PHE 3 5.940 -2.059 -8.166
27 H ALA 4 H ALA 4 3.005 -0.667 -1.089
28 HA ALA 4 HA ALA 4 4.123 0.095 1.228
29 1HB ALA 4 1HB ALA 4 5.457 2.116 0.699
30 2HB ALA 4 2HB ALA 4 6.204 0.644 0.037
31 3HB ALA 4 3HB ALA 4 5.313 1.750 -1.036
32 H DTR 5 H DTR 5 2.412 1.089 2.160
33 HA DTR 5 HA DTR 5 0.618 2.529 0.373
34 1HB DTR 5 1HB DTR 5 1.596 4.409 1.340
35 2HB DTR 5 2HB DTR 5 0.511 4.037 2.666
36 HD1 DTR 5 HD1 DTR 5 1.644 3.104 4.940
37 HE1 DTR 5 HE1 DTR 5 4.101 2.985 5.899
38 HZ2 DTR 5 HZ2 DTR 5 6.685 3.291 4.728
39 HH2 DTR 5 HH2 DTR 5 7.816 3.760 2.525
40 HZ3 DTR 5 HZ3 DTR 5 6.469 4.118 0.516
41 HE3 DTR 5 HE3 DTR 5 3.974 4.044 0.523
42 H IAM 6 H IAM 6 -1.454 1.769 0.630
43 HA IAM 6 HA IAM 6 -1.980 -0.317 2.404
44 HB IAM 6 HB IAM 6 -1.928 1.622 4.041
45 HD1 IAM 6 HD1 IAM 6 -5.346 2.281 3.687
46 HE1 IAM 6 HE1 IAM 6 -6.340 4.523 3.150
47 HE2 IAM 6 HE2 IAM 6 -2.543 5.891 1.838
48 HD2 IAM 6 HD2 IAM 6 -1.550 3.648 2.378
49 1HT IAM 6 1HT IAM 6 -4.871 7.390 2.920
50 2HT IAM 6 2HT IAM 6 -6.168 6.608 2.042
51 HH IAM 6 HH IAM 6 -4.398 6.543 0.073
52 HI IAM 6 HI IAM 6 -4.171 8.881 -0.326
53 1HB IAM 6 1HB IAM 6 -3.518 0.896 3.952
54 1HK1 IAM 6 1HK1 IAM 6 -2.790 8.603 2.351
55 2HK1 IAM 6 2HK1 IAM 6 -2.064 8.257 0.799
56 3HK1 IAM 6 3HK1 IAM 6 -2.521 9.895 1.206
57 1HK2 IAM 6 1HK2 IAM 6 -6.185 9.322 1.033
58 2HK2 IAM 6 2HK2 IAM 6 -5.223 9.231 2.489
59 3HK2 IAM 6 3HK2 IAM 6 -4.954 10.523 1.344
60 H THR 7 H THR 7 -3.449 2.562 0.758
61 HA THR 7 HA THR 7 -5.916 1.402 0.201
62 HB THR 7 HB THR 7 -4.266 3.509 -1.295
63 HG1 THR 7 HG1 THR 7 -6.350 3.476 0.774
64 1HG2 THR 7 1HG2 THR 7 -6.769 4.339 -1.656
65 2HG2 THR 7 2HG2 THR 7 -6.081 3.134 -2.771
66 3HG2 THR 7 3HG2 THR 7 -7.165 2.616 -1.456
67 H IYR 8 H IYR 8 -4.292 2.224 -2.763
68 HA IYR 8 HA IYR 8 -5.085 0.163 -4.344
69 1HB IYR 8 1HB IYR 8 -2.561 0.482 -5.266
70 2HB IYR 8 2HB IYR 8 -3.739 1.748 -5.461
71 HD IYR 8 HD IYR 8 -3.268 3.928 -4.799
72 HF IYR 8 HF IYR 8 -0.080 5.849 -2.332
73 HG IYR 8 HG IYR 8 0.423 2.364 -1.899
74 HH IYR 8 HH IYR 8 -1.037 0.715 -3.016
75 H THR 9 H THR 9 -2.541 0.013 -1.799
76 HA THR 9 HA THR 9 -1.622 -2.560 -2.674
77 HB THR 9 HB THR 9 -0.419 -2.338 -0.371
78 HG1 THR 9 HG1 THR 9 -1.781 0.232 -0.780
79 1HG2 THR 9 1HG2 THR 9 0.780 -0.104 -1.177
80 2HG2 THR 9 2HG2 THR 9 0.977 -1.592 -2.133
81 3HG2 THR 9 3HG2 THR 9 -0.186 -0.347 -2.652
82 H SER 10 H SER 10 -1.396 -4.010 -0.301
83 HA SER 10 HA SER 10 -4.252 -4.649 0.214
84 1HB SER 10 1HB SER 10 -2.662 -6.315 -1.115
85 2HB SER 10 2HB SER 10 -1.889 -6.619 0.432
86 HG SER 10 HG SER 10 -3.972 -7.222 1.252
87 H CYS 11 H CYS 11 -0.984 -5.199 1.733
88 HA CYS 11 HA CYS 11 -2.078 -5.314 4.300
89 1HB CYS 11 1HB CYS 11 -0.068 -6.325 4.317
90 2HB CYS 11 2HB CYS 11 0.611 -5.268 3.095
Start of MODEL 2
1 1H CYS 1 1H CYS 1 5.839 -6.397 2.965
2 2H CYS 1 2H CYS 1 5.974 -4.815 3.522
3 HA CYS 1 HA CYS 1 3.771 -6.683 3.906
4 1HB CYS 1 1HB CYS 1 4.462 -5.092 5.873
5 2HB CYS 1 2HB CYS 1 3.692 -3.856 4.898
6 H LYS 2 H LYS 2 4.280 -6.532 1.394
7 HA LYS 2 HA LYS 2 3.457 -5.921 -0.568
8 1HB LYS 2 1HB LYS 2 1.528 -4.827 1.268
9 2HB LYS 2 2HB LYS 2 1.746 -3.712 -0.066
10 1HG LYS 2 1HG LYS 2 1.196 -6.700 -0.379
11 2HG LYS 2 2HG LYS 2 -0.018 -5.446 -0.517
12 1HD LYS 2 1HD LYS 2 2.479 -5.609 -2.268
13 2HD LYS 2 2HD LYS 2 0.906 -6.220 -2.741
14 1HE LYS 2 1HE LYS 2 -0.064 -3.929 -2.502
15 2HE LYS 2 2HE LYS 2 1.499 -3.313 -2.004
16 1HZ LYS 2 1HZ LYS 2 1.481 -2.904 -4.282
17 2HZ LYS 2 2HZ LYS 2 2.279 -4.323 -4.252
18 H PHE 3 H PHE 3 3.400 -3.904 -2.121
19 HA PHE 3 HA PHE 3 5.836 -2.838 -2.314
20 1HB PHE 3 1HB PHE 3 3.124 -2.354 -3.272
21 2HB PHE 3 2HB PHE 3 3.868 -0.792 -2.989
22 HD1 PHE 3 HD1 PHE 3 4.862 0.166 -4.821
23 HD2 PHE 3 HD2 PHE 3 4.878 -4.066 -4.497
24 HE1 PHE 3 HE1 PHE 3 6.048 0.002 -7.029
25 HE2 PHE 3 HE2 PHE 3 6.065 -4.229 -6.703
26 HZ PHE 3 HZ PHE 3 6.634 -2.193 -7.943
27 H ALA 4 H ALA 4 3.124 -0.715 -1.158
28 HA ALA 4 HA ALA 4 3.978 0.027 1.259
29 1HB ALA 4 1HB ALA 4 5.455 1.988 0.913
30 2HB ALA 4 2HB ALA 4 6.216 0.481 0.347
31 3HB ALA 4 3HB ALA 4 5.520 1.623 -0.829
32 H DTR 5 H DTR 5 2.345 1.287 2.031
33 HA DTR 5 HA DTR 5 0.642 2.518 0.039
34 1HB DTR 5 1HB DTR 5 0.909 4.696 0.932
35 2HB DTR 5 2HB DTR 5 1.328 4.096 2.525
36 HD1 DTR 5 HD1 DTR 5 3.873 4.266 3.116
37 HE1 DTR 5 HE1 DTR 5 6.164 4.657 1.865
38 HZ2 DTR 5 HZ2 DTR 5 6.893 4.848 -0.887
39 HH2 DTR 5 HH2 DTR 5 5.909 4.760 -3.207
40 HZ3 DTR 5 HZ3 DTR 5 3.509 4.396 -3.495
41 HE3 DTR 5 HE3 DTR 5 1.938 4.099 -1.580
42 H IAM 6 H IAM 6 -1.515 2.180 0.572
43 HA IAM 6 HA IAM 6 -2.033 0.536 2.834
44 HB IAM 6 HB IAM 6 -2.375 2.402 4.206
45 HD1 IAM 6 HD1 IAM 6 -4.372 4.280 1.848
46 HE1 IAM 6 HE1 IAM 6 -3.770 6.572 1.015
47 HE2 IAM 6 HE2 IAM 6 0.118 6.148 2.664
48 HD2 IAM 6 HD2 IAM 6 -0.485 3.858 3.496
49 1HT IAM 6 1HT IAM 6 -1.186 7.836 0.241
50 2HT IAM 6 2HT IAM 6 -0.577 8.253 1.828
51 HH IAM 6 HH IAM 6 -3.533 8.432 1.455
52 HI IAM 6 HI IAM 6 -1.325 10.482 1.486
53 1HB IAM 6 1HB IAM 6 -3.907 2.498 3.364
54 1HK1 IAM 6 1HK1 IAM 6 -3.595 10.304 3.477
55 2HK1 IAM 6 2HK1 IAM 6 -1.916 9.968 3.827
56 3HK1 IAM 6 3HK1 IAM 6 -2.413 11.589 3.406
57 1HK2 IAM 6 1HK2 IAM 6 -3.123 10.855 -0.162
58 2HK2 IAM 6 2HK2 IAM 6 -4.307 10.828 1.121
59 3HK2 IAM 6 3HK2 IAM 6 -3.127 12.113 1.049
60 H THR 7 H THR 7 -3.692 2.929 0.647
61 HA THR 7 HA THR 7 -6.024 1.439 0.346
62 HB THR 7 HB THR 7 -4.644 3.462 -1.498
63 HG1 THR 7 HG1 THR 7 -6.672 3.521 0.626
64 1HG2 THR 7 1HG2 THR 7 -7.228 3.958 -1.890
65 2HG2 THR 7 2HG2 THR 7 -6.434 2.677 -2.836
66 3HG2 THR 7 3HG2 THR 7 -7.427 2.251 -1.422
67 H IYR 8 H IYR 8 -4.565 1.980 -2.759
68 HA IYR 8 HA IYR 8 -5.125 -0.329 -4.028
69 1HB IYR 8 1HB IYR 8 -2.605 0.048 -4.956
70 2HB IYR 8 2HB IYR 8 -3.877 1.163 -5.357
71 HD IYR 8 HD IYR 8 -3.752 3.460 -4.839
72 HF IYR 8 HF IYR 8 -0.722 5.993 -2.753
73 HG IYR 8 HG IYR 8 0.260 2.655 -2.058
74 HH IYR 8 HH IYR 8 -1.024 0.738 -2.934
75 H THR 9 H THR 9 -2.454 0.096 -1.616
76 HA THR 9 HA THR 9 -1.300 -2.430 -2.078
77 HB THR 9 HB THR 9 -0.267 -1.913 0.208
78 HG1 THR 9 HG1 THR 9 -2.088 0.348 -0.238
79 1HG2 THR 9 1HG2 THR 9 0.503 0.526 -0.524
80 2HG2 THR 9 2HG2 THR 9 1.026 -0.878 -1.485
81 3HG2 THR 9 3HG2 THR 9 -0.336 0.124 -2.042
82 H SER 10 H SER 10 -1.584 -4.443 -1.183
83 HA SER 10 HA SER 10 -4.222 -5.045 -0.272
84 1HB SER 10 1HB SER 10 -2.529 -6.541 -1.605
85 2HB SER 10 2HB SER 10 -1.706 -6.832 -0.081
86 HG SER 10 HG SER 10 -3.711 -7.655 0.742
87 H CYS 11 H CYS 11 -0.981 -5.097 1.393
88 HA CYS 11 HA CYS 11 -1.744 -5.882 3.832
89 1HB CYS 11 1HB CYS 11 0.382 -4.175 2.766
90 2HB CYS 11 2HB CYS 11 -0.014 -3.809 4.434
Start of MODEL 3
1 1H CYS 1 1H CYS 1 2.848 -7.665 4.241
2 2H CYS 1 2H CYS 1 2.980 -8.751 2.964
3 HA CYS 1 HA CYS 1 1.328 -7.875 1.793
4 1HB CYS 1 1HB CYS 1 0.701 -8.812 4.146
5 2HB CYS 1 2HB CYS 1 0.270 -7.154 4.507
6 H LYS 2 H LYS 2 2.892 -5.950 1.117
7 HA LYS 2 HA LYS 2 1.405 -3.643 1.003
8 1HB LYS 2 1HB LYS 2 1.843 -2.382 2.790
9 2HB LYS 2 2HB LYS 2 2.420 -3.844 3.563
10 1HG LYS 2 1HG LYS 2 4.248 -2.370 3.810
11 2HG LYS 2 2HG LYS 2 4.711 -3.327 2.418
12 1HD LYS 2 1HD LYS 2 4.388 -1.575 0.915
13 2HD LYS 2 2HD LYS 2 3.113 -0.843 1.868
14 1HE LYS 2 1HE LYS 2 4.598 0.585 2.811
15 2HE LYS 2 2HE LYS 2 5.520 -0.761 3.450
16 1HZ LYS 2 1HZ LYS 2 7.027 0.275 2.031
17 2HZ LYS 2 2HZ LYS 2 6.448 -0.880 1.040
18 H PHE 3 H PHE 3 2.208 -2.404 -0.660
19 HA PHE 3 HA PHE 3 4.806 -3.274 -1.677
20 1HB PHE 3 1HB PHE 3 2.154 -2.438 -2.721
21 2HB PHE 3 2HB PHE 3 3.445 -1.546 -3.499
22 HD1 PHE 3 HD1 PHE 3 4.768 -2.547 -5.172
23 HD2 PHE 3 HD2 PHE 3 2.221 -4.971 -2.796
24 HE1 PHE 3 HE1 PHE 3 5.188 -4.491 -6.705
25 HE2 PHE 3 HE2 PHE 3 2.642 -6.915 -4.328
26 HZ PHE 3 HZ PHE 3 4.118 -6.650 -6.265
27 H ALA 4 H ALA 4 2.803 -0.256 -1.317
28 HA ALA 4 HA ALA 4 4.937 1.194 -0.197
29 1HB ALA 4 1HB ALA 4 5.375 2.726 -2.097
30 2HB ALA 4 2HB ALA 4 5.867 1.055 -2.470
31 3HB ALA 4 3HB ALA 4 4.355 1.708 -3.141
32 H DTR 5 H DTR 5 2.930 1.279 1.178
33 HA DTR 5 HA DTR 5 0.813 2.904 0.096
34 1HB DTR 5 1HB DTR 5 1.384 4.833 1.272
35 2HB DTR 5 2HB DTR 5 1.921 3.926 2.671
36 HD1 DTR 5 HD1 DTR 5 4.544 3.659 2.959
37 HE1 DTR 5 HE1 DTR 5 6.717 4.371 1.642
38 HZ2 DTR 5 HZ2 DTR 5 7.173 5.449 -0.960
39 HH2 DTR 5 HH2 DTR 5 5.954 6.174 -3.045
40 HZ3 DTR 5 HZ3 DTR 5 3.518 6.006 -3.149
41 HE3 DTR 5 HE3 DTR 5 2.133 5.135 -1.264
42 H IAM 6 H IAM 6 -0.979 1.774 0.729
43 HA IAM 6 HA IAM 6 -0.895 -0.236 2.645
44 HB IAM 6 HB IAM 6 -0.715 1.796 4.166
45 HD1 IAM 6 HD1 IAM 6 -4.070 2.133 4.799
46 HE1 IAM 6 HE1 IAM 6 -5.440 4.205 4.435
47 HE2 IAM 6 HE2 IAM 6 -2.462 5.712 1.815
48 HD2 IAM 6 HD2 IAM 6 -1.093 3.639 2.177
49 1HT IAM 6 1HT IAM 6 -5.330 6.625 3.802
50 2HT IAM 6 2HT IAM 6 -5.617 6.148 2.144
51 HH IAM 6 HH IAM 6 -3.694 7.472 1.424
52 HI IAM 6 HI IAM 6 -2.873 9.152 2.853
53 1HB IAM 6 1HB IAM 6 -2.179 0.879 4.459
54 1HK1 IAM 6 1HK1 IAM 6 -3.397 7.112 5.025
55 2HK1 IAM 6 2HK1 IAM 6 -1.907 7.268 4.124
56 3HK1 IAM 6 3HK1 IAM 6 -2.413 8.546 5.202
57 1HK2 IAM 6 1HK2 IAM 6 -5.266 9.693 3.123
58 2HK2 IAM 6 2HK2 IAM 6 -5.379 8.545 4.434
59 3HK2 IAM 6 3HK2 IAM 6 -4.397 9.977 4.612
60 H THR 7 H THR 7 -2.882 2.338 1.080
61 HA THR 7 HA THR 7 -5.287 0.847 1.134
62 HB THR 7 HB THR 7 -4.213 3.304 -0.301
63 HG1 THR 7 HG1 THR 7 -6.391 2.568 1.527
64 1HG2 THR 7 1HG2 THR 7 -6.803 3.542 -0.861
65 2HG2 THR 7 2HG2 THR 7 -5.747 2.652 -1.985
66 3HG2 THR 7 3HG2 THR 7 -6.774 1.762 -0.834
67 H IYR 8 H IYR 8 -4.235 1.926 -2.045
68 HA IYR 8 HA IYR 8 -5.093 -0.125 -3.592
69 1HB IYR 8 1HB IYR 8 -2.726 0.366 -4.807
70 2HB IYR 8 2HB IYR 8 -3.984 1.568 -4.805
71 HD IYR 8 HD IYR 8 -3.607 3.741 -4.024
72 HF IYR 8 HF IYR 8 -0.206 5.768 -1.956
73 HG IYR 8 HG IYR 8 0.612 2.315 -1.866
74 HH IYR 8 HH IYR 8 -0.888 0.622 -2.857
75 H THR 9 H THR 9 -2.162 -0.183 -1.477
76 HA THR 9 HA THR 9 -1.027 -2.501 -2.511
77 HB THR 9 HB THR 9 0.165 -2.515 -0.329
78 HG1 THR 9 HG1 THR 9 -1.989 -0.604 0.247
79 1HG2 THR 9 1HG2 THR 9 0.501 0.113 -0.091
80 2HG2 THR 9 2HG2 THR 9 1.094 -0.711 -1.552
81 3HG2 THR 9 3HG2 THR 9 -0.448 0.176 -1.596
82 H SER 10 H SER 10 -0.867 -4.657 -1.387
83 HA SER 10 HA SER 10 -3.330 -5.941 -1.429
84 1HB SER 10 1HB SER 10 -1.083 -7.063 -1.632
85 2HB SER 10 2HB SER 10 -0.722 -6.725 0.052
86 HG SER 10 HG SER 10 -2.559 -8.024 0.614
87 H CYS 11 H CYS 11 -1.392 -5.142 1.554
88 HA CYS 11 HA CYS 11 -3.645 -4.158 2.892
89 1HB CYS 11 1HB CYS 11 -4.357 -5.843 4.266
90 2HB CYS 11 2HB CYS 11 -4.093 -6.704 2.762
Start of MODEL 4
1 1H CYS 1 1H CYS 1 3.921 -7.568 4.397
2 2H CYS 1 2H CYS 1 3.920 -9.215 4.064
3 HA CYS 1 HA CYS 1 2.684 -8.644 2.007
4 1HB CYS 1 1HB CYS 1 1.860 -9.680 4.265
5 2HB CYS 1 2HB CYS 1 1.062 -8.135 4.479
6 H LYS 2 H LYS 2 3.962 -6.460 1.550
7 HA LYS 2 HA LYS 2 2.120 -4.464 1.135
8 1HB LYS 2 1HB LYS 2 2.025 -3.148 2.932
9 2HB LYS 2 2HB LYS 2 2.714 -4.486 3.828
10 1HG LYS 2 1HG LYS 2 4.188 -2.716 4.337
11 2HG LYS 2 2HG LYS 2 5.036 -3.561 3.059
12 1HD LYS 2 1HD LYS 2 4.649 -1.882 1.486
13 2HD LYS 2 2HD LYS 2 3.132 -1.394 2.212
14 1HE LYS 2 1HE LYS 2 4.186 0.276 3.324
15 2HE LYS 2 2HE LYS 2 5.184 -0.898 4.162
16 1HZ LYS 2 1HZ LYS 2 6.733 0.362 2.992
17 2HZ LYS 2 2HZ LYS 2 6.533 -0.878 1.956
18 H PHE 3 H PHE 3 2.952 -3.066 -0.389
19 HA PHE 3 HA PHE 3 5.793 -3.452 -0.957
20 1HB PHE 3 1HB PHE 3 3.259 -3.183 -2.436
21 2HB PHE 3 2HB PHE 3 4.382 -1.950 -2.976
22 HD1 PHE 3 HD1 PHE 3 4.088 -5.617 -2.449
23 HD2 PHE 3 HD2 PHE 3 6.062 -2.477 -4.513
24 HE1 PHE 3 HE1 PHE 3 5.232 -7.302 -3.920
25 HE2 PHE 3 HE2 PHE 3 7.204 -4.160 -5.984
26 HZ PHE 3 HZ PHE 3 6.776 -6.552 -5.668
27 H ALA 4 H ALA 4 3.308 -0.803 -1.238
28 HA ALA 4 HA ALA 4 4.704 0.998 0.359
29 1HB ALA 4 1HB ALA 4 5.630 2.504 -1.380
30 2HB ALA 4 2HB ALA 4 6.425 0.912 -1.395
31 3HB ALA 4 3HB ALA 4 5.206 1.310 -2.629
32 H DTR 5 H DTR 5 2.592 1.388 1.115
33 HA DTR 5 HA DTR 5 0.562 2.094 -0.772
34 1HB DTR 5 1HB DTR 5 1.037 4.344 -0.702
35 2HB DTR 5 2HB DTR 5 0.647 4.325 1.007
36 HD1 DTR 5 HD1 DTR 5 3.323 5.553 -1.013
37 HE1 DTR 5 HE1 DTR 5 5.680 5.682 0.167
38 HZ2 DTR 5 HZ2 DTR 5 6.763 4.499 2.527
39 HH2 DTR 5 HH2 DTR 5 6.154 2.960 4.430
40 HZ3 DTR 5 HZ3 DTR 5 3.912 1.994 4.543
41 HE3 DTR 5 HE3 DTR 5 2.145 2.457 2.840
42 H IAM 6 H IAM 6 -1.326 3.185 0.916
43 HA IAM 6 HA IAM 6 -1.431 1.201 3.078
44 HB IAM 6 HB IAM 6 -1.048 3.659 3.748
45 HD1 IAM 6 HD1 IAM 6 -4.559 4.001 4.116
46 HE1 IAM 6 HE1 IAM 6 -5.924 5.862 3.125
47 HE2 IAM 6 HE2 IAM 6 -2.686 6.875 0.572
48 HD2 IAM 6 HD2 IAM 6 -1.324 5.014 1.565
49 1HT IAM 6 1HT IAM 6 -4.797 8.550 1.478
50 2HT IAM 6 2HT IAM 6 -6.223 7.540 1.541
51 HH IAM 6 HH IAM 6 -5.517 6.626 -0.740
52 HI IAM 6 HI IAM 6 -4.166 9.304 -0.502
53 1HB IAM 6 1HB IAM 6 -2.500 2.957 4.430
54 1HK1 IAM 6 1HK1 IAM 6 -6.517 8.702 -2.308
55 2HK1 IAM 6 2HK1 IAM 6 -6.561 9.740 -0.903
56 3HK1 IAM 6 3HK1 IAM 6 -5.610 10.196 -2.295
57 1HK2 IAM 6 1HK2 IAM 6 -3.007 7.589 -1.847
58 2HK2 IAM 6 2HK2 IAM 6 -4.417 7.432 -2.866
59 3HK2 IAM 6 3HK2 IAM 6 -3.510 8.925 -2.854
60 H THR 7 H THR 7 -3.294 3.331 0.821
61 HA THR 7 HA THR 7 -5.788 2.132 1.328
62 HB THR 7 HB THR 7 -4.637 3.705 -1.032
63 HG1 THR 7 HG1 THR 7 -6.344 4.219 1.302
64 1HG2 THR 7 1HG2 THR 7 -7.227 4.302 -1.157
65 2HG2 THR 7 2HG2 THR 7 -6.629 2.845 -1.982
66 3HG2 THR 7 3HG2 THR 7 -7.433 2.705 -0.400
67 H IYR 8 H IYR 8 -5.153 1.983 -2.044
68 HA IYR 8 HA IYR 8 -6.082 -0.508 -2.609
69 1HB IYR 8 1HB IYR 8 -4.034 -0.412 -4.357
70 2HB IYR 8 2HB IYR 8 -5.356 0.713 -4.502
71 HD IYR 8 HD IYR 8 -4.141 2.373 -5.723
72 HF IYR 8 HF IYR 8 -1.053 5.363 -4.510
73 HG IYR 8 HG IYR 8 -1.198 3.070 -1.805
74 HH IYR 8 HH IYR 8 -2.742 1.144 -1.848
75 H THR 9 H THR 9 -2.585 -0.412 -3.058
76 HA THR 9 HA THR 9 -1.112 -2.080 -2.727
77 HB THR 9 HB THR 9 -0.479 -2.212 -0.359
78 HG1 THR 9 HG1 THR 9 -3.228 -1.218 -0.075
79 1HG2 THR 9 1HG2 THR 9 -1.124 0.252 0.411
80 2HG2 THR 9 2HG2 THR 9 0.001 0.032 -0.950
81 3HG2 THR 9 3HG2 THR 9 -1.709 0.413 -1.262
82 H SER 10 H SER 10 -0.903 -4.191 -0.897
83 HA SER 10 HA SER 10 -3.177 -5.884 -1.784
84 1HB SER 10 1HB SER 10 -0.688 -6.250 -2.680
85 2HB SER 10 2HB SER 10 -0.356 -6.903 -1.083
86 HG SER 10 HG SER 10 -2.086 -8.406 -1.437
87 H CYS 11 H CYS 11 -1.405 -4.514 0.900
88 HA CYS 11 HA CYS 11 -3.281 -5.437 2.723
89 1HB CYS 11 1HB CYS 11 -1.231 -6.765 3.976
90 2HB CYS 11 2HB CYS 11 -2.608 -7.497 3.179
Start of MODEL 5
1 1H CYS 1 1H CYS 1 3.206 -8.039 1.619
2 2H CYS 1 2H CYS 1 3.217 -7.388 3.171
3 HA CYS 1 HA CYS 1 1.115 -7.598 1.230
4 1HB CYS 1 1HB CYS 1 0.071 -8.910 2.866
5 2HB CYS 1 2HB CYS 1 0.707 -7.950 4.187
6 H LYS 2 H LYS 2 2.970 -5.781 0.906
7 HA LYS 2 HA LYS 2 1.781 -3.340 1.292
8 1HB LYS 2 1HB LYS 2 2.776 -4.191 3.740
9 2HB LYS 2 2HB LYS 2 4.043 -3.139 3.141
10 1HG LYS 2 1HG LYS 2 1.127 -2.284 3.032
11 2HG LYS 2 2HG LYS 2 2.072 -2.070 4.491
12 1HD LYS 2 1HD LYS 2 3.666 -1.120 2.286
13 2HD LYS 2 2HD LYS 2 2.063 -0.439 2.104
14 1HE LYS 2 1HE LYS 2 2.771 1.134 3.604
15 2HE LYS 2 2HE LYS 2 2.459 -0.094 4.815
16 1HZ LYS 2 1HZ LYS 2 4.668 0.473 5.206
17 2HZ LYS 2 2HZ LYS 2 4.872 -0.832 4.254
18 H PHE 3 H PHE 3 2.453 -2.662 -0.684
19 HA PHE 3 HA PHE 3 5.142 -3.273 -1.529
20 1HB PHE 3 1HB PHE 3 2.513 -2.526 -2.621
21 2HB PHE 3 2HB PHE 3 3.735 -1.458 -3.282
22 HD1 PHE 3 HD1 PHE 3 5.764 -2.522 -4.412
23 HD2 PHE 3 HD2 PHE 3 2.241 -4.694 -3.472
24 HE1 PHE 3 HE1 PHE 3 6.403 -4.285 -6.083
25 HE2 PHE 3 HE2 PHE 3 2.882 -6.457 -5.139
26 HZ PHE 3 HZ PHE 3 4.954 -6.231 -6.427
27 H ALA 4 H ALA 4 3.141 -0.230 -1.431
28 HA ALA 4 HA ALA 4 5.026 1.234 0.010
29 1HB ALA 4 1HB ALA 4 5.957 2.640 -1.807
30 2HB ALA 4 2HB ALA 4 6.456 0.938 -1.967
31 3HB ALA 4 3HB ALA 4 5.170 1.592 -3.011
32 H DTR 5 H DTR 5 2.973 1.733 1.005
33 HA DTR 5 HA DTR 5 0.931 2.929 -0.555
34 1HB DTR 5 1HB DTR 5 2.061 4.971 -0.569
35 2HB DTR 5 2HB DTR 5 1.381 5.110 1.042
36 HD1 DTR 5 HD1 DTR 5 3.121 4.745 3.132
37 HE1 DTR 5 HE1 DTR 5 5.743 4.903 3.387
38 HZ2 DTR 5 HZ2 DTR 5 7.902 4.906 1.521
39 HH2 DTR 5 HH2 DTR 5 8.384 4.781 -0.952
40 HZ3 DTR 5 HZ3 DTR 5 6.537 4.586 -2.541
41 HE3 DTR 5 HE3 DTR 5 4.143 4.498 -1.841
42 H IAM 6 H IAM 6 -0.932 2.338 0.496
43 HA IAM 6 HA IAM 6 -0.817 1.015 2.951
44 HB IAM 6 HB IAM 6 -0.502 3.358 3.797
45 HD1 IAM 6 HD1 IAM 6 -0.588 4.599 1.409
46 HE1 IAM 6 HE1 IAM 6 -1.710 6.583 0.358
47 HE2 IAM 6 HE2 IAM 6 -4.988 6.134 3.016
48 HD2 IAM 6 HD2 IAM 6 -3.865 4.149 4.066
49 1HT IAM 6 1HT IAM 6 -4.570 7.382 0.074
50 2HT IAM 6 2HT IAM 6 -3.368 8.439 0.782
51 HH IAM 6 HH IAM 6 -5.924 7.641 2.186
52 HI IAM 6 HI IAM 6 -5.081 10.299 1.668
53 1HB IAM 6 1HB IAM 6 -2.062 2.741 4.299
54 1HK1 IAM 6 1HK1 IAM 6 -3.467 9.033 3.891
55 2HK1 IAM 6 2HK1 IAM 6 -2.825 9.572 2.359
56 3HK1 IAM 6 3HK1 IAM 6 -3.474 10.735 3.491
57 1HK2 IAM 6 1HK2 IAM 6 -7.022 9.726 3.080
58 2HK2 IAM 6 2HK2 IAM 6 -5.946 9.125 4.317
59 3HK2 IAM 6 3HK2 IAM 6 -5.952 10.824 3.917
60 H THR 7 H THR 7 -2.893 3.165 0.894
61 HA THR 7 HA THR 7 -5.316 1.923 1.446
62 HB THR 7 HB THR 7 -4.254 3.367 -1.039
63 HG1 THR 7 HG1 THR 7 -5.838 4.029 1.343
64 1HG2 THR 7 1HG2 THR 7 -6.840 3.986 -1.070
65 2HG2 THR 7 2HG2 THR 7 -6.297 2.477 -1.841
66 3HG2 THR 7 3HG2 THR 7 -7.023 2.435 -0.215
67 H IYR 8 H IYR 8 -4.701 1.614 -1.937
68 HA IYR 8 HA IYR 8 -5.671 -0.862 -2.418
69 1HB IYR 8 1HB IYR 8 -3.521 -0.923 -4.065
70 2HB IYR 8 2HB IYR 8 -4.829 0.190 -4.351
71 HD IYR 8 HD IYR 8 -3.608 1.815 -5.584
72 HF IYR 8 HF IYR 8 -0.543 4.853 -4.432
73 HG IYR 8 HG IYR 8 -0.748 2.674 -1.638
74 HH IYR 8 HH IYR 8 -2.291 0.747 -1.633
75 H THR 9 H THR 9 -2.141 -0.883 -2.679
76 HA THR 9 HA THR 9 -0.691 -2.500 -2.147
77 HB THR 9 HB THR 9 -0.225 -2.505 0.173
78 HG1 THR 9 HG1 THR 9 -3.150 -2.326 0.378
79 1HG2 THR 9 1HG2 THR 9 -1.545 -0.431 1.192
80 2HG2 THR 9 2HG2 THR 9 -0.355 -0.154 -0.102
81 3HG2 THR 9 3HG2 THR 9 -2.092 -0.203 -0.487
82 H SER 10 H SER 10 -0.750 -4.677 -0.347
83 HA SER 10 HA SER 10 -2.405 -6.485 -1.928
84 1HB SER 10 1HB SER 10 0.109 -6.801 -1.095
85 2HB SER 10 2HB SER 10 -0.598 -7.234 0.453
86 HG SER 10 HG SER 10 -1.798 -8.878 -0.658
87 H CYS 11 H CYS 11 -2.211 -5.181 1.425
88 HA CYS 11 HA CYS 11 -4.929 -5.467 1.828
89 1HB CYS 11 1HB CYS 11 -5.020 -7.299 3.461
90 2HB CYS 11 2HB CYS 11 -4.664 -7.842 1.834
Start of MODEL 6
1 1H CYS 1 1H CYS 1 4.272 -7.007 3.271
2 2H CYS 1 2H CYS 1 3.750 -7.142 4.864
3 HA CYS 1 HA CYS 1 2.077 -7.766 2.568
4 1HB CYS 1 1HB CYS 1 1.620 -8.544 5.021
5 2HB CYS 1 2HB CYS 1 1.108 -6.885 5.268
6 H LYS 2 H LYS 2 3.483 -5.829 1.653
7 HA LYS 2 HA LYS 2 1.874 -3.603 1.486
8 1HB LYS 2 1HB LYS 2 2.400 -2.191 3.131
9 2HB LYS 2 2HB LYS 2 3.103 -3.565 3.958
10 1HG LYS 2 1HG LYS 2 4.875 -2.004 3.942
11 2HG LYS 2 2HG LYS 2 5.268 -3.050 2.593
12 1HD LYS 2 1HD LYS 2 4.755 -1.436 0.995
13 2HD LYS 2 2HD LYS 2 3.519 -0.687 1.983
14 1HE LYS 2 1HE LYS 2 5.257 0.915 2.020
15 2HE LYS 2 2HE LYS 2 5.477 0.071 3.539
16 1HZ LYS 2 1HZ LYS 2 7.598 0.040 2.614
17 2HZ LYS 2 2HZ LYS 2 7.057 -1.419 2.137
18 H PHE 3 H PHE 3 2.481 -2.464 -0.324
19 HA PHE 3 HA PHE 3 5.017 -3.313 -1.499
20 1HB PHE 3 1HB PHE 3 2.259 -2.702 -2.360
21 2HB PHE 3 2HB PHE 3 3.396 -1.730 -3.273
22 HD1 PHE 3 HD1 PHE 3 3.874 -2.618 -5.332
23 HD2 PHE 3 HD2 PHE 3 3.326 -5.271 -2.066
24 HE1 PHE 3 HE1 PHE 3 4.334 -4.572 -6.841
25 HE2 PHE 3 HE2 PHE 3 3.787 -7.225 -3.573
26 HZ PHE 3 HZ PHE 3 4.284 -6.851 -5.944
27 H ALA 4 H ALA 4 2.935 -0.326 -1.349
28 HA ALA 4 HA ALA 4 5.003 1.292 -0.376
29 1HB ALA 4 1HB ALA 4 5.479 2.604 -2.426
30 2HB ALA 4 2HB ALA 4 6.015 0.914 -2.586
31 3HB ALA 4 3HB ALA 4 4.514 1.451 -3.378
32 H DTR 5 H DTR 5 3.140 1.742 0.981
33 HA DTR 5 HA DTR 5 0.927 3.043 -0.351
34 1HB DTR 5 1HB DTR 5 1.345 5.149 0.670
35 2HB DTR 5 2HB DTR 5 2.246 4.436 1.993
36 HD1 DTR 5 HD1 DTR 5 2.814 6.261 -1.203
37 HE1 DTR 5 HE1 DTR 5 5.353 6.345 -1.915
38 HZ2 DTR 5 HZ2 DTR 5 7.688 4.956 -1.040
39 HH2 DTR 5 HH2 DTR 5 8.448 3.202 0.603
40 HZ3 DTR 5 HZ3 DTR 5 6.824 2.150 2.099
41 HE3 DTR 5 HE3 DTR 5 4.396 2.729 2.092
42 H IAM 6 H IAM 6 -0.998 2.595 0.735
43 HA IAM 6 HA IAM 6 -0.828 0.719 2.873
44 HB IAM 6 HB IAM 6 -0.568 3.104 3.895
45 HD1 IAM 6 HD1 IAM 6 -4.066 2.916 4.542
46 HE1 IAM 6 HE1 IAM 6 -5.711 4.734 3.999
47 HE2 IAM 6 HE2 IAM 6 -2.821 6.606 1.518
48 HD2 IAM 6 HD2 IAM 6 -1.176 4.789 2.063
49 1HT IAM 6 1HT IAM 6 -5.611 7.415 3.287
50 2HT IAM 6 2HT IAM 6 -6.250 6.449 1.977
51 HH IAM 6 HH IAM 6 -3.996 8.437 1.699
52 HI IAM 6 HI IAM 6 -4.766 8.619 -0.518
53 1HB IAM 6 1HB IAM 6 -1.862 2.132 4.564
54 1HK1 IAM 6 1HK1 IAM 6 -7.272 7.314 0.562
55 2HK1 IAM 6 2HK1 IAM 6 -6.978 9.035 0.494
56 3HK1 IAM 6 3HK1 IAM 6 -7.137 8.117 -0.985
57 1HK2 IAM 6 1HK2 IAM 6 -3.915 6.307 -0.658
58 2HK2 IAM 6 2HK2 IAM 6 -5.462 5.702 -0.119
59 3HK2 IAM 6 3HK2 IAM 6 -5.328 6.506 -1.664
60 H THR 7 H THR 7 -2.871 3.085 1.051
61 HA THR 7 HA THR 7 -5.318 1.849 1.427
62 HB THR 7 HB THR 7 -4.154 3.440 -0.918
63 HG1 THR 7 HG1 THR 7 -5.814 3.959 1.448
64 1HG2 THR 7 1HG2 THR 7 -6.729 4.101 -0.996
65 2HG2 THR 7 2HG2 THR 7 -6.178 2.642 -1.852
66 3HG2 THR 7 3HG2 THR 7 -6.963 2.496 -0.259
67 H IYR 8 H IYR 8 -4.605 1.756 -1.953
68 HA IYR 8 HA IYR 8 -5.610 -0.666 -2.624
69 1HB IYR 8 1HB IYR 8 -3.423 -0.650 -4.222
70 2HB IYR 8 2HB IYR 8 -4.706 0.502 -4.460
71 HD IYR 8 HD IYR 8 -3.430 2.185 -5.552
72 HF IYR 8 HF IYR 8 -0.348 5.084 -4.124
73 HG IYR 8 HG IYR 8 -0.655 2.726 -1.490
74 HH IYR 8 HH IYR 8 -2.229 0.830 -1.651
75 H THR 9 H THR 9 -2.076 -0.728 -2.807
76 HA THR 9 HA THR 9 -0.727 -2.496 -2.443
77 HB THR 9 HB THR 9 -0.165 -2.602 -0.103
78 HG1 THR 9 HG1 THR 9 -2.986 -1.833 0.176
79 1HG2 THR 9 1HG2 THR 9 -1.006 -0.252 0.814
80 2HG2 THR 9 2HG2 THR 9 0.159 -0.295 -0.529
81 3HG2 THR 9 3HG2 THR 9 -1.569 -0.019 -0.858
82 H SER 10 H SER 10 -0.828 -4.610 -0.527
83 HA SER 10 HA SER 10 -2.718 -6.339 -1.949
84 1HB SER 10 1HB SER 10 -0.133 -6.770 -1.312
85 2HB SER 10 2HB SER 10 -0.776 -7.235 0.254
86 HG SER 10 HG SER 10 -2.122 -8.764 -0.855
87 H CYS 11 H CYS 11 -1.931 -5.357 1.464
88 HA CYS 11 HA CYS 11 -4.574 -6.392 2.167
89 1HB CYS 11 1HB CYS 11 -3.545 -6.095 4.559
90 2HB CYS 11 2HB CYS 11 -3.219 -7.519 3.593
Start of MODEL 7
1 1H CYS 1 1H CYS 1 5.643 -7.243 3.341
2 2H CYS 1 2H CYS 1 5.694 -5.796 2.487
3 HA CYS 1 HA CYS 1 3.530 -7.183 3.354
4 1HB CYS 1 1HB CYS 1 4.162 -5.833 5.515
5 2HB CYS 1 2HB CYS 1 3.434 -4.486 4.661
6 H LYS 2 H LYS 2 4.103 -6.766 0.898
7 HA LYS 2 HA LYS 2 3.334 -5.931 -1.005
8 1HB LYS 2 1HB LYS 2 1.409 -4.935 0.906
9 2HB LYS 2 2HB LYS 2 1.679 -3.736 -0.342
10 1HG LYS 2 1HG LYS 2 1.061 -6.678 -0.887
11 2HG LYS 2 2HG LYS 2 -0.133 -5.396 -0.915
12 1HD LYS 2 1HD LYS 2 2.365 -5.413 -2.671
13 2HD LYS 2 2HD LYS 2 0.809 -6.021 -3.198
14 1HE LYS 2 1HE LYS 2 0.671 -3.302 -2.013
15 2HE LYS 2 2HE LYS 2 1.672 -3.386 -3.448
16 1HZ LYS 2 1HZ LYS 2 -0.452 -3.073 -4.312
17 2HZ LYS 2 2HZ LYS 2 -0.339 -4.694 -4.410
18 H PHE 3 H PHE 3 3.437 -3.815 -2.366
19 HA PHE 3 HA PHE 3 5.903 -2.801 -2.339
20 1HB PHE 3 1HB PHE 3 3.270 -2.189 -3.421
21 2HB PHE 3 2HB PHE 3 4.007 -0.667 -2.962
22 HD1 PHE 3 HD1 PHE 3 6.475 -0.319 -3.800
23 HD2 PHE 3 HD2 PHE 3 3.735 -3.072 -5.509
24 HE1 PHE 3 HE1 PHE 3 7.801 -0.315 -5.934
25 HE2 PHE 3 HE2 PHE 3 5.061 -3.070 -7.641
26 HZ PHE 3 HZ PHE 3 7.076 -1.690 -7.827
27 H ALA 4 H ALA 4 3.159 -0.733 -1.157
28 HA ALA 4 HA ALA 4 3.932 -0.192 1.348
29 1HB ALA 4 1HB ALA 4 5.396 1.802 1.198
30 2HB ALA 4 2HB ALA 4 6.189 0.352 0.539
31 3HB ALA 4 3HB ALA 4 5.511 1.577 -0.563
32 H DTR 5 H DTR 5 2.092 0.751 2.058
33 HA DTR 5 HA DTR 5 0.482 2.178 0.162
34 1HB DTR 5 1HB DTR 5 0.989 4.287 0.950
35 2HB DTR 5 2HB DTR 5 0.750 3.776 2.609
36 HD1 DTR 5 HD1 DTR 5 3.405 5.178 0.563
37 HE1 DTR 5 HE1 DTR 5 5.839 4.796 1.509
38 HZ2 DTR 5 HZ2 DTR 5 6.928 3.050 3.487
39 HH2 DTR 5 HH2 DTR 5 6.263 1.243 5.115
40 HZ3 DTR 5 HZ3 DTR 5 3.928 0.538 5.262
41 HE3 DTR 5 HE3 DTR 5 2.116 1.531 3.861
42 H IAM 6 H IAM 6 -1.736 2.080 0.779
43 HA IAM 6 HA IAM 6 -2.269 0.141 2.827
44 HB IAM 6 HB IAM 6 -2.115 2.494 3.922
45 HD1 IAM 6 HD1 IAM 6 -5.635 2.693 3.676
46 HE1 IAM 6 HE1 IAM 6 -6.898 4.644 2.727
47 HE2 IAM 6 HE2 IAM 6 -3.323 6.095 0.958
48 HD2 IAM 6 HD2 IAM 6 -2.062 4.144 1.909
49 1HT IAM 6 1HT IAM 6 -6.787 6.894 1.838
50 2HT IAM 6 2HT IAM 6 -6.301 6.426 0.223
51 HH IAM 6 HH IAM 6 -4.348 7.905 0.388
52 HI IAM 6 HI IAM 6 -5.935 9.617 1.821
53 1HB IAM 6 1HB IAM 6 -3.624 1.647 4.187
54 1HK1 IAM 6 1HK1 IAM 6 -3.071 8.980 2.563
55 2HK1 IAM 6 2HK1 IAM 6 -3.568 10.084 1.302
56 3HK1 IAM 6 3HK1 IAM 6 -3.918 10.454 2.973
57 1HK2 IAM 6 1HK2 IAM 6 -6.492 7.815 3.415
58 2HK2 IAM 6 2HK2 IAM 6 -4.800 7.642 3.811
59 3HK2 IAM 6 3HK2 IAM 6 -5.644 9.113 4.221
60 H THR 7 H THR 7 -3.574 2.636 0.553
61 HA THR 7 HA THR 7 -6.057 1.272 0.219
62 HB THR 7 HB THR 7 -4.590 3.560 -1.174
63 HG1 THR 7 HG1 THR 7 -7.003 3.145 0.449
64 1HG2 THR 7 1HG2 THR 7 -7.076 3.943 -2.038
65 2HG2 THR 7 2HG2 THR 7 -5.986 2.886 -2.965
66 3HG2 THR 7 3HG2 THR 7 -7.200 2.175 -1.874
67 H IYR 8 H IYR 8 -4.487 2.134 -2.769
68 HA IYR 8 HA IYR 8 -5.067 -0.057 -4.272
69 1HB IYR 8 1HB IYR 8 -2.558 0.473 -5.168
70 2HB IYR 8 2HB IYR 8 -3.866 1.582 -5.462
71 HD IYR 8 HD IYR 8 -3.648 3.836 -4.938
72 HF IYR 8 HF IYR 8 -0.771 6.245 -2.517
73 HG IYR 8 HG IYR 8 0.091 2.870 -1.844
74 HH IYR 8 HH IYR 8 -1.144 1.004 -2.889
75 H THR 9 H THR 9 -2.562 0.136 -1.696
76 HA THR 9 HA THR 9 -1.254 -2.261 -2.449
77 HB THR 9 HB THR 9 -0.313 -1.987 -0.085
78 HG1 THR 9 HG1 THR 9 -2.208 0.244 -0.318
79 1HG2 THR 9 1HG2 THR 9 0.382 0.549 -0.489
80 2HG2 THR 9 2HG2 THR 9 0.990 -0.707 -1.593
81 3HG2 THR 9 3HG2 THR 9 -0.393 0.306 -2.073
82 H SER 10 H SER 10 -1.105 -3.816 -0.161
83 HA SER 10 HA SER 10 -3.876 -4.880 -0.029
84 1HB SER 10 1HB SER 10 -1.944 -6.225 -1.239
85 2HB SER 10 2HB SER 10 -1.273 -6.494 0.362
86 HG SER 10 HG SER 10 -3.304 -7.447 0.954
87 H CYS 11 H CYS 11 -0.753 -4.514 1.801
88 HA CYS 11 HA CYS 11 -1.515 -5.411 4.205
89 1HB CYS 11 1HB CYS 11 0.645 -4.126 3.303
90 2HB CYS 11 2HB CYS 11 -0.082 -2.798 4.185
Start of MODEL 8
1 1H CYS 1 1H CYS 1 3.569 -3.786 3.937
2 2H CYS 1 2H CYS 1 3.330 -4.310 5.518
3 HA CYS 1 HA CYS 1 4.068 -6.499 4.106
4 1HB CYS 1 1HB CYS 1 2.632 -6.606 6.007
5 2HB CYS 1 2HB CYS 1 1.425 -5.589 5.245
6 H LYS 2 H LYS 2 4.437 -4.610 2.149
7 HA LYS 2 HA LYS 2 3.244 -5.563 -0.052
8 1HB LYS 2 1HB LYS 2 1.302 -4.018 1.446
9 2HB LYS 2 2HB LYS 2 1.590 -3.285 -0.118
10 1HG LYS 2 1HG LYS 2 0.964 -6.247 0.298
11 2HG LYS 2 2HG LYS 2 -0.229 -5.040 -0.140
12 1HD LYS 2 1HD LYS 2 2.271 -5.658 -1.786
13 2HD LYS 2 2HD LYS 2 0.686 -6.327 -2.116
14 1HE LYS 2 1HE LYS 2 0.553 -3.408 -1.817
15 2HE LYS 2 2HE LYS 2 1.711 -3.861 -3.053
16 1HZ LYS 2 1HZ LYS 2 -0.296 -3.836 -4.205
17 2HZ LYS 2 2HZ LYS 2 -0.194 -5.421 -3.843
18 H PHE 3 H PHE 3 3.306 -3.851 -1.949
19 HA PHE 3 HA PHE 3 5.770 -2.939 -2.283
20 1HB PHE 3 1HB PHE 3 3.083 -2.444 -3.312
21 2HB PHE 3 2HB PHE 3 3.929 -0.910 -3.277
22 HD1 PHE 3 HD1 PHE 3 3.391 -3.887 -5.106
23 HD2 PHE 3 HD2 PHE 3 6.289 -0.874 -4.376
24 HE1 PHE 3 HE1 PHE 3 4.545 -4.475 -7.258
25 HE2 PHE 3 HE2 PHE 3 7.442 -1.460 -6.528
26 HZ PHE 3 HZ PHE 3 6.557 -3.255 -7.941
27 H ALA 4 H ALA 4 3.108 -0.706 -1.186
28 HA ALA 4 HA ALA 4 4.233 0.379 0.984
29 1HB ALA 4 1HB ALA 4 5.507 2.354 0.193
30 2HB ALA 4 2HB ALA 4 6.286 0.830 -0.292
31 3HB ALA 4 3HB ALA 4 5.354 1.773 -1.481
32 H DTR 5 H DTR 5 2.713 1.756 1.828
33 HA DTR 5 HA DTR 5 0.708 2.692 -0.072
34 1HB DTR 5 1HB DTR 5 1.091 4.893 0.557
35 2HB DTR 5 2HB DTR 5 1.246 4.463 2.250
36 HD1 DTR 5 HD1 DTR 5 3.675 4.645 3.224
37 HE1 DTR 5 HE1 DTR 5 6.137 4.941 2.319
38 HZ2 DTR 5 HZ2 DTR 5 7.285 4.930 -0.295
39 HH2 DTR 5 HH2 DTR 5 6.670 4.674 -2.726
40 HZ3 DTR 5 HZ3 DTR 5 4.339 4.293 -3.358
41 HE3 DTR 5 HE3 DTR 5 2.488 4.137 -1.692
42 H IAM 6 H IAM 6 -1.294 1.969 0.548
43 HA IAM 6 HA IAM 6 -1.611 0.393 2.813
44 HB IAM 6 HB IAM 6 -1.432 2.790 3.809
45 HD1 IAM 6 HD1 IAM 6 -1.623 4.432 1.846
46 HE1 IAM 6 HE1 IAM 6 -3.052 6.301 0.968
47 HE2 IAM 6 HE2 IAM 6 -6.421 4.660 2.960
48 HD2 IAM 6 HD2 IAM 6 -4.991 2.791 3.837
49 1HT IAM 6 1HT IAM 6 -5.862 7.441 2.159
50 2HT IAM 6 2HT IAM 6 -6.625 6.333 1.042
51 HH IAM 6 HH IAM 6 -4.794 6.854 -0.608
52 HI IAM 6 HI IAM 6 -4.573 9.093 1.387
53 1HB IAM 6 1HB IAM 6 -2.871 1.900 4.260
54 1HK1 IAM 6 1HK1 IAM 6 -5.622 9.395 -1.433
55 2HK1 IAM 6 2HK1 IAM 6 -6.577 9.557 0.021
56 3HK1 IAM 6 3HK1 IAM 6 -5.311 10.710 -0.326
57 1HK2 IAM 6 1HK2 IAM 6 -2.490 8.374 0.276
58 2HK2 IAM 6 2HK2 IAM 6 -3.209 8.696 -1.283
59 3HK2 IAM 6 3HK2 IAM 6 -2.897 10.012 -0.176
60 H THR 7 H THR 7 -3.272 2.784 0.655
61 HA THR 7 HA THR 7 -5.735 1.409 0.632
62 HB THR 7 HB THR 7 -4.371 3.518 -1.100
63 HG1 THR 7 HG1 THR 7 -6.674 3.285 0.708
64 1HG2 THR 7 1HG2 THR 7 -6.908 3.838 -1.836
65 2HG2 THR 7 2HG2 THR 7 -5.882 2.684 -2.723
66 3HG2 THR 7 3HG2 THR 7 -7.024 2.095 -1.490
67 H IYR 8 H IYR 8 -4.377 1.912 -2.554
68 HA IYR 8 HA IYR 8 -5.158 -0.369 -3.796
69 1HB IYR 8 1HB IYR 8 -2.713 -0.091 -4.907
70 2HB IYR 8 2HB IYR 8 -3.945 1.105 -5.187
71 HD IYR 8 HD IYR 8 -3.595 3.375 -4.717
72 HF IYR 8 HF IYR 8 -0.291 5.683 -2.793
73 HG IYR 8 HG IYR 8 0.475 2.283 -2.125
74 HH IYR 8 HH IYR 8 -0.987 0.463 -2.928
75 H THR 9 H THR 9 -2.366 -0.067 -1.515
76 HA THR 9 HA THR 9 -1.234 -2.560 -2.062
77 HB THR 9 HB THR 9 -0.159 -2.180 0.173
78 HG1 THR 9 HG1 THR 9 -2.199 -0.066 0.145
79 1HG2 THR 9 1HG2 THR 9 0.350 0.407 -0.188
80 2HG2 THR 9 2HG2 THR 9 0.956 -0.774 -1.374
81 3HG2 THR 9 3HG2 THR 9 -0.515 0.164 -1.725
82 H SER 10 H SER 10 -1.601 -4.631 -1.429
83 HA SER 10 HA SER 10 -4.180 -5.420 -0.738
84 1HB SER 10 1HB SER 10 -2.217 -6.813 -1.731
85 2HB SER 10 2HB SER 10 -1.567 -6.955 -0.107
86 HG SER 10 HG SER 10 -3.572 -7.940 0.513
87 H CYS 11 H CYS 11 -1.272 -5.396 1.464
88 HA CYS 11 HA CYS 11 -2.947 -5.774 3.717
89 1HB CYS 11 1HB CYS 11 -0.031 -4.994 3.512
90 2HB CYS 11 2HB CYS 11 -0.858 -5.382 5.008
Start of MODEL 9
1 1H CYS 1 1H CYS 1 5.990 -5.075 4.936
2 2H CYS 1 2H CYS 1 5.839 -6.400 3.913
3 HA CYS 1 HA CYS 1 3.745 -6.296 4.258
4 1HB CYS 1 1HB CYS 1 4.395 -4.580 6.114
5 2HB CYS 1 2HB CYS 1 3.723 -3.391 5.016
6 H LYS 2 H LYS 2 4.310 -6.373 1.760
7 HA LYS 2 HA LYS 2 3.596 -5.903 -0.278
8 1HB LYS 2 1HB LYS 2 1.586 -4.687 1.395
9 2HB LYS 2 2HB LYS 2 1.837 -3.697 -0.027
10 1HG LYS 2 1HG LYS 2 1.351 -6.712 -0.091
11 2HG LYS 2 2HG LYS 2 0.110 -5.506 -0.360
12 1HD LYS 2 1HD LYS 2 2.655 -5.737 -2.034
13 2HD LYS 2 2HD LYS 2 1.117 -6.442 -2.490
14 1HE LYS 2 1HE LYS 2 0.114 -4.069 -2.268
15 2HE LYS 2 2HE LYS 2 1.762 -3.482 -2.152
16 1HZ LYS 2 1HZ LYS 2 1.339 -3.402 -4.426
17 2HZ LYS 2 2HZ LYS 2 2.082 -4.847 -4.324
18 H PHE 3 H PHE 3 3.618 -4.045 -1.991
19 HA PHE 3 HA PHE 3 6.027 -2.954 -2.170
20 1HB PHE 3 1HB PHE 3 3.354 -2.573 -3.258
21 2HB PHE 3 2HB PHE 3 4.058 -0.981 -3.047
22 HD1 PHE 3 HD1 PHE 3 3.962 -3.914 -5.084
23 HD2 PHE 3 HD2 PHE 3 6.329 -0.526 -4.117
24 HE1 PHE 3 HE1 PHE 3 5.238 -4.193 -7.228
25 HE2 PHE 3 HE2 PHE 3 7.603 -0.803 -6.261
26 HZ PHE 3 HZ PHE 3 7.043 -2.635 -7.790
27 H ALA 4 H ALA 4 3.245 -0.825 -1.200
28 HA ALA 4 HA ALA 4 4.069 0.103 1.167
29 1HB ALA 4 1HB ALA 4 5.466 2.095 0.686
30 2HB ALA 4 2HB ALA 4 6.285 0.586 0.216
31 3HB ALA 4 3HB ALA 4 5.540 1.619 -1.027
32 H DTR 5 H DTR 5 2.263 1.153 1.814
33 HA DTR 5 HA DTR 5 0.506 2.173 -0.201
34 1HB DTR 5 1HB DTR 5 1.009 4.400 0.118
35 2HB DTR 5 2HB DTR 5 0.871 4.228 1.858
36 HD1 DTR 5 HD1 DTR 5 3.378 5.238 -0.566
37 HE1 DTR 5 HE1 DTR 5 5.867 5.086 0.295
38 HZ2 DTR 5 HZ2 DTR 5 7.104 3.777 2.509
39 HH2 DTR 5 HH2 DTR 5 6.574 2.312 4.492
40 HZ3 DTR 5 HZ3 DTR 5 4.268 1.615 4.908
41 HE3 DTR 5 HE3 DTR 5 2.361 2.288 3.444
42 H IAM 6 H IAM 6 -1.676 2.300 0.625
43 HA IAM 6 HA IAM 6 -2.043 0.700 2.980
44 HB IAM 6 HB IAM 6 -1.753 3.208 3.659
45 HD1 IAM 6 HD1 IAM 6 -5.277 3.392 3.817
46 HE1 IAM 6 HE1 IAM 6 -6.671 5.177 2.732
47 HE2 IAM 6 HE2 IAM 6 -3.356 6.298 0.328
48 HD2 IAM 6 HD2 IAM 6 -1.965 4.514 1.415
49 1HT IAM 6 1HT IAM 6 -6.772 7.165 1.437
50 2HT IAM 6 2HT IAM 6 -6.302 6.574 -0.141
51 HH IAM 6 HH IAM 6 -4.525 8.215 -0.245
52 HI IAM 6 HI IAM 6 -5.820 9.982 1.283
53 1HB IAM 6 1HB IAM 6 -3.208 2.422 4.235
54 1HK1 IAM 6 1HK1 IAM 6 -3.033 9.075 2.030
55 2HK1 IAM 6 2HK1 IAM 6 -3.418 10.221 0.768
56 3HK1 IAM 6 3HK1 IAM 6 -3.736 10.622 2.439
57 1HK2 IAM 6 1HK2 IAM 6 -6.551 8.242 2.874
58 2HK2 IAM 6 2HK2 IAM 6 -4.883 7.906 3.273
59 3HK2 IAM 6 3HK2 IAM 6 -5.584 9.453 3.683
60 H THR 7 H THR 7 -3.485 2.834 0.445
61 HA THR 7 HA THR 7 -5.991 1.414 0.541
62 HB THR 7 HB THR 7 -4.773 3.680 -1.095
63 HG1 THR 7 HG1 THR 7 -7.055 3.213 0.692
64 1HG2 THR 7 1HG2 THR 7 -7.324 3.866 -1.824
65 2HG2 THR 7 2HG2 THR 7 -6.226 2.824 -2.760
66 3HG2 THR 7 3HG2 THR 7 -7.327 2.105 -1.560
67 H IYR 8 H IYR 8 -4.704 2.136 -2.629
68 HA IYR 8 HA IYR 8 -5.351 -0.098 -3.993
69 1HB IYR 8 1HB IYR 8 -2.808 0.319 -4.946
70 2HB IYR 8 2HB IYR 8 -4.134 1.374 -5.344
71 HD IYR 8 HD IYR 8 -4.164 3.671 -4.756
72 HF IYR 8 HF IYR 8 -1.225 6.346 -2.716
73 HG IYR 8 HG IYR 8 -0.017 3.061 -2.124
74 HH IYR 8 HH IYR 8 -1.211 1.086 -2.999
75 H THR 9 H THR 9 -2.532 0.180 -1.727
76 HA THR 9 HA THR 9 -1.280 -2.189 -2.327
77 HB THR 9 HB THR 9 -0.354 -1.959 -0.044
78 HG1 THR 9 HG1 THR 9 -2.662 -0.152 0.146
79 1HG2 THR 9 1HG2 THR 9 -0.192 0.695 0.042
80 2HG2 THR 9 2HG2 THR 9 0.612 -0.184 -1.278
81 3HG2 THR 9 3HG2 THR 9 -0.962 0.601 -1.560
82 H SER 10 H SER 10 -1.172 -4.049 -0.482
83 HA SER 10 HA SER 10 -3.923 -5.142 -0.473
84 1HB SER 10 1HB SER 10 -1.774 -6.280 -1.622
85 2HB SER 10 2HB SER 10 -1.352 -6.755 0.016
86 HG SER 10 HG SER 10 -3.435 -7.761 0.164
87 H CYS 11 H CYS 11 -0.908 -5.147 1.579
88 HA CYS 11 HA CYS 11 -2.422 -5.870 3.859
89 1HB CYS 11 1HB CYS 11 -0.441 -6.100 4.927
90 2HB CYS 11 2HB CYS 11 0.115 -6.228 3.271
Start of MODEL 10
1 1H CYS 1 1H CYS 1 5.536 -6.077 2.039
2 2H CYS 1 2H CYS 1 5.547 -5.437 3.593
3 HA CYS 1 HA CYS 1 3.414 -7.215 2.893
4 1HB CYS 1 1HB CYS 1 3.884 -5.924 5.128
5 2HB CYS 1 2HB CYS 1 3.130 -4.581 4.295
6 H LYS 2 H LYS 2 4.074 -6.672 0.481
7 HA LYS 2 HA LYS 2 3.336 -5.802 -1.420
8 1HB LYS 2 1HB LYS 2 1.293 -4.981 0.437
9 2HB LYS 2 2HB LYS 2 1.572 -3.695 -0.718
10 1HG LYS 2 1HG LYS 2 1.067 -6.617 -1.455
11 2HG LYS 2 2HG LYS 2 -0.143 -5.350 -1.506
12 1HD LYS 2 1HD LYS 2 2.468 -5.242 -3.085
13 2HD LYS 2 2HD LYS 2 0.971 -5.869 -3.744
14 1HE LYS 2 1HE LYS 2 0.828 -3.157 -2.464
15 2HE LYS 2 2HE LYS 2 1.710 -3.259 -3.975
16 1HZ LYS 2 1HZ LYS 2 -0.473 -2.927 -4.667
17 2HZ LYS 2 2HZ LYS 2 -0.386 -4.551 -4.764
18 H PHE 3 H PHE 3 3.317 -3.561 -2.653
19 HA PHE 3 HA PHE 3 5.754 -2.475 -2.561
20 1HB PHE 3 1HB PHE 3 3.099 -1.878 -3.596
21 2HB PHE 3 2HB PHE 3 3.787 -0.367 -3.033
22 HD1 PHE 3 HD1 PHE 3 5.935 0.446 -4.008
23 HD2 PHE 3 HD2 PHE 3 3.893 -2.925 -5.581
24 HE1 PHE 3 HE1 PHE 3 7.254 0.640 -6.135
25 HE2 PHE 3 HE2 PHE 3 5.212 -2.733 -7.707
26 HZ PHE 3 HZ PHE 3 6.876 -0.951 -7.960
27 H ALA 4 H ALA 4 2.952 -0.573 -1.248
28 HA ALA 4 HA ALA 4 3.687 -0.182 1.291
29 1HB ALA 4 1HB ALA 4 5.124 1.837 1.300
30 2HB ALA 4 2HB ALA 4 5.946 0.446 0.553
31 3HB ALA 4 3HB ALA 4 5.266 1.734 -0.471
32 H DTR 5 H DTR 5 2.413 1.468 2.297
33 HA DTR 5 HA DTR 5 0.583 2.733 0.397
34 1HB DTR 5 1HB DTR 5 1.297 4.754 1.228
35 2HB DTR 5 2HB DTR 5 0.840 4.258 2.845
36 HD1 DTR 5 HD1 DTR 5 2.831 3.675 4.521
37 HE1 DTR 5 HE1 DTR 5 5.469 3.742 4.461
38 HZ2 DTR 5 HZ2 DTR 5 7.381 4.059 2.366
39 HH2 DTR 5 HH2 DTR 5 7.546 4.388 -0.129
40 HZ3 DTR 5 HZ3 DTR 5 5.512 4.522 -1.477
41 HE3 DTR 5 HE3 DTR 5 3.222 4.343 -0.501
42 H IAM 6 H IAM 6 -1.468 1.969 0.721
43 HA IAM 6 HA IAM 6 -2.056 0.225 2.822
44 HB IAM 6 HB IAM 6 -2.020 2.455 4.062
45 HD1 IAM 6 HD1 IAM 6 -1.742 3.987 1.802
46 HE1 IAM 6 HE1 IAM 6 -2.774 6.062 0.839
47 HE2 IAM 6 HE2 IAM 6 -6.407 5.189 2.853
48 HD2 IAM 6 HD2 IAM 6 -5.373 3.113 3.816
49 1HT IAM 6 1HT IAM 6 -5.138 7.827 1.883
50 2HT IAM 6 2HT IAM 6 -6.327 6.849 1.050
51 HH IAM 6 HH IAM 6 -4.658 6.636 -0.856
52 HI IAM 6 HI IAM 6 -3.641 8.715 -1.299
53 1HB IAM 6 1HB IAM 6 -3.596 1.691 4.104
54 1HK1 IAM 6 1HK1 IAM 6 -3.028 8.603 1.660
55 2HK1 IAM 6 2HK1 IAM 6 -2.044 7.901 0.397
56 3HK1 IAM 6 3HK1 IAM 6 -2.225 9.634 0.501
57 1HK2 IAM 6 1HK2 IAM 6 -5.777 9.715 -0.571
58 2HK2 IAM 6 2HK2 IAM 6 -5.232 9.675 1.087
59 3HK2 IAM 6 3HK2 IAM 6 -4.429 10.707 -0.071
60 H THR 7 H THR 7 -3.289 2.667 0.474
61 HA THR 7 HA THR 7 -5.790 1.371 0.103
62 HB THR 7 HB THR 7 -4.166 3.525 -1.313
63 HG1 THR 7 HG1 THR 7 -6.742 3.233 0.069
64 1HG2 THR 7 1HG2 THR 7 -6.542 3.890 -2.453
65 2HG2 THR 7 2HG2 THR 7 -5.381 2.769 -3.201
66 3HG2 THR 7 3HG2 THR 7 -6.714 2.136 -2.205
67 H IYR 8 H IYR 8 -3.972 1.955 -2.834
68 HA IYR 8 HA IYR 8 -4.599 -0.215 -4.302
69 1HB IYR 8 1HB IYR 8 -1.856 -0.036 -4.750
70 2HB IYR 8 2HB IYR 8 -3.023 1.038 -5.469
71 HD IYR 8 HD IYR 8 -3.208 3.367 -4.862
72 HF IYR 8 HF IYR 8 -0.531 6.060 -2.510
73 HG IYR 8 HG IYR 8 0.584 2.781 -1.737
74 HH IYR 8 HH IYR 8 -0.502 0.797 -2.728
75 H THR 9 H THR 9 -1.979 -0.187 -1.767
76 HA THR 9 HA THR 9 -1.108 -2.783 -2.195
77 HB THR 9 HB THR 9 -0.128 -2.508 0.059
78 HG1 THR 9 HG1 THR 9 -2.088 -0.320 0.076
79 1HG2 THR 9 1HG2 THR 9 0.489 0.076 -0.099
80 2HG2 THR 9 2HG2 THR 9 1.114 -1.044 -1.331
81 3HG2 THR 9 3HG2 THR 9 -0.304 -0.030 -1.688
82 H SER 10 H SER 10 -1.305 -4.357 -0.027
83 HA SER 10 HA SER 10 -4.216 -4.942 0.081
84 1HB SER 10 1HB SER 10 -2.476 -6.564 -1.122
85 2HB SER 10 2HB SER 10 -1.947 -6.986 0.498
86 HG SER 10 HG SER 10 -4.141 -7.576 0.965
87 H CYS 11 H CYS 11 -1.157 -4.533 1.895
88 HA CYS 11 HA CYS 11 -1.852 -5.555 4.300
89 1HB CYS 11 1HB CYS 11 0.190 -3.989 3.325
90 2HB CYS 11 2HB CYS 11 -0.557 -2.928 4.505
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