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 |
|
|
15319 |
1xy8   |
6425 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H TYR 1 1H TYR 1 5.202 -7.948 -2.878
2 HA TYR 1 HA TYR 1 6.348 -8.346 -0.458
3 2HB TYR 1 2HB TYR 1 7.115 -6.087 0.205
4 HD1 TYR 1 HD1 TYR 1 9.192 -7.472 0.108
5 HD2 TYR 1 HD2 TYR 1 7.708 -5.390 -3.321
6 HE1 TYR 1 HE1 TYR 1 11.451 -7.724 -1.032
7 HE2 TYR 1 HE2 TYR 1 9.972 -5.649 -4.450
8 HH TYR 1 HH TYR 1 12.573 -6.034 -3.194
9 H CYS 2 H CYS 2 5.232 -6.735 1.318
10 HA CYS 2 HA CYS 2 2.434 -6.825 0.569
11 2HB CYS 2 2HB CYS 2 2.362 -6.140 3.158
12 H LYS 3 H LYS 3 3.771 -4.615 3.030
13 HA LYS 3 HA LYS 3 3.752 -2.418 3.237
14 2HB LYS 3 2HB LYS 3 4.058 -1.068 1.036
15 2HG LYS 3 2HG LYS 3 6.081 -3.215 1.831
16 2HD LYS 3 2HD LYS 3 6.671 -0.423 0.795
17 2HE LYS 3 2HE LYS 3 8.362 -2.853 0.273
18 1HZ LYS 3 1HZ LYS 3 8.837 0.002 0.913
19 2HZ LYS 3 2HZ LYS 3 10.053 -1.081 0.868
20 H PHE 4 H PHE 4 2.292 -0.619 3.302
21 HA PHE 4 HA PHE 4 -0.398 -1.404 2.910
22 2HB PHE 4 2HB PHE 4 -0.638 1.151 3.553
23 HD1 PHE 4 HD1 PHE 4 1.530 1.496 5.909
24 HD2 PHE 4 HD2 PHE 4 -1.205 -1.529 4.735
25 HE1 PHE 4 HE1 PHE 4 1.421 0.673 8.280
26 HE2 PHE 4 HE2 PHE 4 -1.315 -2.350 7.105
27 HZ PHE 4 HZ PHE 4 0.001 -1.239 8.848
28 H GLU 5 H GLU 5 1.017 1.726 1.793
29 HA GLU 5 HA GLU 5 0.998 1.456 -0.837
30 1HB GLU 5 1HB GLU 5 -1.754 1.222 0.113
31 2HB GLU 5 2HB GLU 5 -1.593 2.604 -0.954
32 1HG GLU 5 1HG GLU 5 -0.105 0.662 -2.289
33 2HG GLU 5 2HG GLU 5 -1.392 -0.291 -1.574
34 H DTR 6 H DTR 6 0.501 3.659 -2.034
35 HA DTR 6 HA DTR 6 0.811 5.906 -2.147
36 1HB DTR 6 1HB DTR 6 2.537 6.787 -0.680
37 2HB DTR 6 2HB DTR 6 2.403 5.391 0.371
38 HD1 DTR 6 HD1 DTR 6 3.147 2.937 -0.889
39 HE1 DTR 6 HE1 DTR 6 5.080 2.396 -2.602
40 HZ2 DTR 6 HZ2 DTR 6 6.632 3.996 -4.383
41 HH2 DTR 6 HH2 DTR 6 6.936 6.380 -5.146
42 HZ3 DTR 6 HZ3 DTR 6 5.549 8.151 -4.194
43 HE3 DTR 6 HE3 DTR 6 3.803 7.727 -2.466
44 H IAM 7 H IAM 7 -1.707 5.341 -1.147
45 HA IAM 7 HA IAM 7 -1.919 7.030 1.247
46 HB IAM 7 HB IAM 7 -4.282 7.437 0.006
47 HD1 IAM 7 HD1 IAM 7 -4.955 5.441 -1.360
48 HE1 IAM 7 HE1 IAM 7 -5.197 4.598 -3.712
49 HE2 IAM 7 HE2 IAM 7 -2.186 7.300 -4.991
50 HD2 IAM 7 HD2 IAM 7 -1.947 8.145 -2.640
51 1HT IAM 7 1HT IAM 7 -4.400 6.098 -6.500
52 2HT IAM 7 2HT IAM 7 -4.376 4.449 -5.912
53 HH IAM 7 HH IAM 7 -2.149 5.865 -7.201
54 HI IAM 7 HI IAM 7 -0.939 4.342 -5.417
55 1HB IAM 7 1HB IAM 7 -2.872 8.360 -0.469
56 1HK1 IAM 7 1HK1 IAM 7 -1.756 3.093 -8.048
57 2HK1 IAM 7 2HK1 IAM 7 -0.402 4.177 -7.829
58 3HK1 IAM 7 3HK1 IAM 7 -0.394 2.602 -7.070
59 1HK2 IAM 7 1HK2 IAM 7 -3.238 2.541 -6.157
60 2HK2 IAM 7 2HK2 IAM 7 -1.934 2.175 -5.055
61 3HK2 IAM 7 3HK2 IAM 7 -3.113 3.394 -4.637
62 H THR 8 H THR 8 -3.214 4.286 -0.683
63 HA THR 8 HA THR 8 -5.202 3.625 1.266
64 HB THR 8 HB THR 8 -5.070 1.443 -0.292
65 HG1 THR 8 HG1 THR 8 -3.330 1.791 -1.628
66 1HG2 THR 8 1HG2 THR 8 -6.283 4.091 -0.644
67 2HG2 THR 8 2HG2 THR 8 -5.844 3.383 -2.217
68 3HG2 THR 8 3HG2 THR 8 -6.925 2.500 -1.113
69 H PHE 9 H PHE 9 -5.053 0.940 1.692
70 HA PHE 9 HA PHE 9 -2.441 0.501 2.913
71 2HB PHE 9 2HB PHE 9 -4.608 -0.452 4.618
72 HD1 PHE 9 HD1 PHE 9 -2.510 2.628 4.259
73 HD2 PHE 9 HD2 PHE 9 -3.652 -0.655 6.696
74 HE1 PHE 9 HE1 PHE 9 -0.902 3.383 6.033
75 HE2 PHE 9 HE2 PHE 9 -2.044 0.101 8.468
76 HZ PHE 9 HZ PHE 9 -0.688 2.109 8.116
77 H HHK 10 H HHK 10 -3.772 -0.588 0.500
78 HA HHK 10 HA HHK 10 -4.888 -3.102 1.134
79 2HB HHK 10 2HB HHK 10 -4.011 -1.654 -1.318
80 1HB HHK 10 1HB HHK 10 -4.106 -3.401 -1.425
81 2HD HHK 10 2HD HHK 10 -7.445 -0.981 -0.372
82 1HD HHK 10 1HD HHK 10 -5.782 -0.446 -0.227
83 2HZ HHK 10 2HZ HHK 10 -5.400 1.412 -2.708
84 1HZ HHK 10 1HZ HHK 10 -4.543 0.212 -1.772
85 2HT HHK 10 2HT HHK 10 -5.144 -1.177 -4.063
86 1HT HHK 10 1HT HHK 10 -4.850 0.429 -4.685
87 1HH HHK 10 1HH HHK 10 -2.974 -0.455 -2.735
88 H SER 11 H SER 11 -3.169 -3.587 2.843
89 HA SER 11 HA SER 11 -0.572 -4.145 2.030
90 2HB SER 11 2HB SER 11 -0.941 -3.838 4.359
91 HG SER 11 HG SER 11 -2.355 -5.485 5.502
92 H CYS 12 H CYS 12 -0.304 -5.529 0.268
93 HA CYS 12 HA CYS 12 -0.541 -7.309 -1.027
94 2HB CYS 12 2HB CYS 12 1.019 -8.446 0.134
Start of MODEL 2
1 1H TYR 1 1H TYR 1 6.447 -7.430 -2.029
2 HA TYR 1 HA TYR 1 6.035 -8.976 0.433
3 2HB TYR 1 2HB TYR 1 6.854 -6.993 1.661
4 HD1 TYR 1 HD1 TYR 1 8.583 -8.834 1.899
5 HD2 TYR 1 HD2 TYR 1 8.735 -5.928 -1.238
6 HE1 TYR 1 HE1 TYR 1 11.035 -9.379 1.502
7 HE2 TYR 1 HE2 TYR 1 11.186 -6.483 -1.625
8 HH TYR 1 HH TYR 1 12.613 -8.765 -1.131
9 H CYS 2 H CYS 2 4.730 -7.121 1.969
10 HA CYS 2 HA CYS 2 2.211 -7.043 0.684
11 2HB CYS 2 2HB CYS 2 1.972 -5.481 2.947
12 H LYS 3 H LYS 3 3.653 -4.271 2.488
13 HA LYS 3 HA LYS 3 3.983 -2.152 1.954
14 2HB LYS 3 2HB LYS 3 3.908 -1.831 -0.787
15 2HG LYS 3 2HG LYS 3 6.478 -2.448 -0.479
16 2HD LYS 3 2HD LYS 3 4.853 -0.162 0.550
17 2HE LYS 3 2HE LYS 3 6.935 0.938 1.468
18 1HZ LYS 3 1HZ LYS 3 6.950 -0.914 3.427
19 2HZ LYS 3 2HZ LYS 3 5.815 0.247 3.300
20 H PHE 4 H PHE 4 2.348 -0.862 2.597
21 HA PHE 4 HA PHE 4 -0.308 -1.328 1.820
22 2HB PHE 4 2HB PHE 4 -0.441 1.102 2.897
23 HD1 PHE 4 HD1 PHE 4 -1.609 -1.405 3.584
24 HD2 PHE 4 HD2 PHE 4 1.725 0.515 5.371
25 HE1 PHE 4 HE1 PHE 4 -2.052 -2.632 5.728
26 HE2 PHE 4 HE2 PHE 4 1.283 -0.711 7.515
27 HZ PHE 4 HZ PHE 4 -0.601 -2.270 7.668
28 H GLU 5 H GLU 5 1.135 1.939 1.505
29 HA GLU 5 HA GLU 5 1.469 2.216 -1.104
30 1HB GLU 5 1HB GLU 5 -1.361 1.705 -0.608
31 2HB GLU 5 2HB GLU 5 -1.149 3.286 -1.336
32 1HG GLU 5 1HG GLU 5 0.597 1.766 -2.853
33 2HG GLU 5 2HG GLU 5 -0.646 0.586 -2.491
34 H DTR 6 H DTR 6 0.284 4.660 -1.805
35 HA DTR 6 HA DTR 6 0.617 6.880 -1.442
36 1HB DTR 6 1HB DTR 6 2.284 7.565 0.068
37 2HB DTR 6 2HB DTR 6 2.089 6.146 1.079
38 HD1 DTR 6 HD1 DTR 6 3.224 3.818 0.132
39 HE1 DTR 6 HE1 DTR 6 5.199 3.303 -1.539
40 HZ2 DTR 6 HZ2 DTR 6 6.548 4.850 -3.523
41 HH2 DTR 6 HH2 DTR 6 6.573 7.146 -4.565
42 HZ3 DTR 6 HZ3 DTR 6 4.993 8.847 -3.799
43 HE3 DTR 6 HE3 DTR 6 3.316 8.432 -2.002
44 H IAM 7 H IAM 7 -1.878 5.967 -0.765
45 HA IAM 7 HA IAM 7 -2.339 7.078 1.914
46 HB IAM 7 HB IAM 7 -4.686 7.496 0.711
47 HD1 IAM 7 HD1 IAM 7 -2.027 8.250 -1.747
48 HE1 IAM 7 HE1 IAM 7 -2.233 7.724 -4.192
49 HE2 IAM 7 HE2 IAM 7 -5.854 5.642 -3.439
50 HD2 IAM 7 HD2 IAM 7 -5.646 6.167 -0.994
51 1HT IAM 7 1HT IAM 7 -4.535 7.197 -5.970
52 2HT IAM 7 2HT IAM 7 -4.871 5.524 -5.582
53 HH IAM 7 HH IAM 7 -2.012 6.454 -5.681
54 HI IAM 7 HI IAM 7 -2.985 3.904 -6.437
55 1HB IAM 7 1HB IAM 7 -3.356 8.583 0.365
56 1HK1 IAM 7 1HK1 IAM 7 -1.064 5.656 -7.981
57 2HK1 IAM 7 2HK1 IAM 7 -0.624 4.606 -6.656
58 3HK1 IAM 7 3HK1 IAM 7 -1.216 3.923 -8.151
59 1HK2 IAM 7 1HK2 IAM 7 -3.571 4.248 -8.831
60 2HK2 IAM 7 2HK2 IAM 7 -4.727 4.980 -7.744
61 3HK2 IAM 7 3HK2 IAM 7 -3.544 5.973 -8.560
62 H THR 8 H THR 8 -3.117 4.549 -0.493
63 HA THR 8 HA THR 8 -5.165 3.348 1.089
64 HB THR 8 HB THR 8 -4.507 1.433 -0.671
65 HG1 THR 8 HG1 THR 8 -3.497 2.809 -2.505
66 1HG2 THR 8 1HG2 THR 8 -6.074 2.338 -2.134
67 2HG2 THR 8 2HG2 THR 8 -6.383 3.416 -0.752
68 3HG2 THR 8 3HG2 THR 8 -5.330 3.954 -2.081
69 H PHE 9 H PHE 9 -4.951 0.935 1.718
70 HA PHE 9 HA PHE 9 -2.303 0.366 2.770
71 2HB PHE 9 2HB PHE 9 -4.306 -0.260 4.771
72 HD1 PHE 9 HD1 PHE 9 -2.401 2.880 4.074
73 HD2 PHE 9 HD2 PHE 9 -2.875 -0.533 6.551
74 HE1 PHE 9 HE1 PHE 9 -0.575 3.719 5.577
75 HE2 PHE 9 HE2 PHE 9 -1.047 0.306 8.054
76 HZ PHE 9 HZ PHE 9 0.081 2.421 7.549
77 H HHK 10 H HHK 10 -3.961 -0.754 0.592
78 HA HHK 10 HA HHK 10 -5.446 -2.932 1.226
79 2HB HHK 10 2HB HHK 10 -3.784 -2.081 -1.062
80 1HB HHK 10 1HB HHK 10 -4.066 -3.808 -0.972
81 2HD HHK 10 2HD HHK 10 -7.155 -0.996 -1.727
82 1HD HHK 10 1HD HHK 10 -5.737 -0.514 -0.818
83 2HZ HHK 10 2HZ HHK 10 -4.390 1.036 -2.736
84 1HZ HHK 10 1HZ HHK 10 -3.789 -0.168 -1.623
85 2HT HHK 10 2HT HHK 10 -2.128 -0.635 -3.069
86 1HT HHK 10 1HT HHK 10 -3.315 -1.156 -4.239
87 1HH HHK 10 1HH HHK 10 -3.072 1.662 -4.018
88 H SER 11 H SER 11 -1.877 -3.073 0.526
89 HA SER 11 HA SER 11 -0.312 -4.382 1.264
90 2HB SER 11 2HB SER 11 -2.151 -4.344 3.651
91 HG SER 11 HG SER 11 -0.388 -5.522 4.796
92 H CYS 12 H CYS 12 0.349 -6.575 1.022
93 HA CYS 12 HA CYS 12 -1.359 -8.252 -0.306
94 2HB CYS 12 2HB CYS 12 1.107 -8.378 -0.332
Start of MODEL 3
1 1H TYR 1 1H TYR 1 6.554 -7.451 -1.431
2 HA TYR 1 HA TYR 1 6.445 -8.093 1.333
3 2HB TYR 1 2HB TYR 1 6.445 -5.524 1.900
4 HD1 TYR 1 HD1 TYR 1 9.425 -5.058 0.158
5 HD2 TYR 1 HD2 TYR 1 7.776 -7.411 3.328
6 HE1 TYR 1 HE1 TYR 1 11.756 -5.443 1.096
7 HE2 TYR 1 HE2 TYR 1 10.113 -7.787 4.255
8 HH TYR 1 HH TYR 1 12.467 -7.812 3.239
9 H CYS 2 H CYS 2 4.598 -6.443 2.338
10 HA CYS 2 HA CYS 2 2.338 -7.016 0.719
11 2HB CYS 2 2HB CYS 2 1.232 -5.584 2.635
12 H LYS 3 H LYS 3 4.386 -4.191 1.517
13 HA LYS 3 HA LYS 3 4.271 -2.045 0.918
14 2HB LYS 3 2HB LYS 3 5.313 -2.894 -1.025
15 2HG LYS 3 2HG LYS 3 2.515 -3.685 -1.956
16 2HD LYS 3 2HD LYS 3 4.715 -2.882 -3.534
17 2HE LYS 3 2HE LYS 3 4.504 -5.913 -3.290
18 1HZ LYS 3 1HZ LYS 3 4.404 -5.005 -5.661
19 2HZ LYS 3 2HZ LYS 3 5.929 -4.477 -5.449
20 H PHE 4 H PHE 4 2.562 -1.221 2.165
21 HA PHE 4 HA PHE 4 -0.119 -1.592 1.611
22 2HB PHE 4 2HB PHE 4 -0.154 0.761 2.866
23 HD1 PHE 4 HD1 PHE 4 -1.380 -1.562 3.643
24 HD2 PHE 4 HD2 PHE 4 2.448 -0.212 4.880
25 HE1 PHE 4 HE1 PHE 4 -1.566 -2.947 5.729
26 HE2 PHE 4 HE2 PHE 4 2.262 -1.597 6.964
27 HZ PHE 4 HZ PHE 4 0.258 -2.949 7.364
28 H GLU 5 H GLU 5 1.239 1.721 1.353
29 HA GLU 5 HA GLU 5 1.220 2.178 -1.257
30 1HB GLU 5 1HB GLU 5 -1.510 1.594 -0.425
31 2HB GLU 5 2HB GLU 5 -1.411 3.233 -1.038
32 1HG GLU 5 1HG GLU 5 -1.479 2.361 -3.132
33 2HG GLU 5 2HG GLU 5 0.144 1.759 -2.861
34 H DTR 6 H DTR 6 0.402 4.635 -1.767
35 HA DTR 6 HA DTR 6 0.799 6.819 -1.283
36 1HB DTR 6 1HB DTR 6 2.438 7.332 0.377
37 2HB DTR 6 2HB DTR 6 2.218 5.787 1.172
38 HD1 DTR 6 HD1 DTR 6 3.246 3.584 -0.182
39 HE1 DTR 6 HE1 DTR 6 5.240 3.291 -1.885
40 HZ2 DTR 6 HZ2 DTR 6 6.703 5.108 -3.529
41 HH2 DTR 6 HH2 DTR 6 6.850 7.552 -4.134
42 HZ3 DTR 6 HZ3 DTR 6 5.322 9.156 -3.099
43 HE3 DTR 6 HE3 DTR 6 3.584 8.498 -1.437
44 H IAM 7 H IAM 7 -1.751 5.924 -0.635
45 HA IAM 7 HA IAM 7 -2.187 7.042 2.043
46 HB IAM 7 HB IAM 7 -4.538 7.467 0.854
47 HD1 IAM 7 HD1 IAM 7 -5.482 6.040 -0.801
48 HE1 IAM 7 HE1 IAM 7 -5.726 5.478 -3.235
49 HE2 IAM 7 HE2 IAM 7 -2.191 7.664 -4.093
50 HD2 IAM 7 HD2 IAM 7 -1.950 8.227 -1.659
51 1HT IAM 7 1HT IAM 7 -3.544 6.885 -5.870
52 2HT IAM 7 2HT IAM 7 -5.152 6.263 -5.570
53 HH IAM 7 HH IAM 7 -2.889 4.427 -4.932
54 HI IAM 7 HI IAM 7 -3.829 3.012 -6.562
55 1HB IAM 7 1HB IAM 7 -3.201 8.534 0.475
56 1HK1 IAM 7 1HK1 IAM 7 -4.254 5.621 -8.033
57 2HK1 IAM 7 2HK1 IAM 7 -2.788 4.673 -8.072
58 3HK1 IAM 7 3HK1 IAM 7 -4.260 4.033 -8.761
59 1HK2 IAM 7 1HK2 IAM 7 -6.012 3.964 -5.434
60 2HK2 IAM 7 2HK2 IAM 7 -6.189 4.789 -6.964
61 3HK2 IAM 7 3HK2 IAM 7 -6.115 3.044 -6.917
62 H THR 8 H THR 8 -3.034 4.509 -0.343
63 HA THR 8 HA THR 8 -4.982 3.313 1.412
64 HB THR 8 HB THR 8 -4.641 1.501 -0.545
65 HG1 THR 8 HG1 THR 8 -3.195 2.304 -2.016
66 1HG2 THR 8 1HG2 THR 8 -6.332 2.571 -1.780
67 2HG2 THR 8 2HG2 THR 8 -6.511 3.405 -0.218
68 3HG2 THR 8 3HG2 THR 8 -5.617 4.184 -1.545
69 H PHE 9 H PHE 9 -4.806 0.965 2.032
70 HA PHE 9 HA PHE 9 -2.044 0.196 2.562
71 2HB PHE 9 2HB PHE 9 -3.782 -0.397 4.831
72 HD1 PHE 9 HD1 PHE 9 -1.505 2.386 3.790
73 HD2 PHE 9 HD2 PHE 9 -2.302 -0.735 6.552
74 HE1 PHE 9 HE1 PHE 9 0.605 2.945 5.030
75 HE2 PHE 9 HE2 PHE 9 -0.193 -0.177 7.792
76 HZ PHE 9 HZ PHE 9 1.235 1.655 7.015
77 H HHK 10 H HHK 10 -4.118 -0.745 0.658
78 HA HHK 10 HA HHK 10 -5.584 -2.878 1.461
79 2HB HHK 10 2HB HHK 10 -4.239 -2.061 -1.058
80 1HB HHK 10 1HB HHK 10 -4.721 -3.741 -0.959
81 2HD HHK 10 2HD HHK 10 -7.498 -0.584 -1.332
82 1HD HHK 10 1HD HHK 10 -5.956 -0.250 -0.569
83 2HZ HHK 10 2HZ HHK 10 -4.642 1.088 -2.663
84 1HZ HHK 10 1HZ HHK 10 -4.072 -0.132 -1.550
85 2HT HHK 10 2HT HHK 10 -2.794 -1.147 -3.135
86 1HT HHK 10 1HT HHK 10 -4.018 -0.971 -4.367
87 1HH HHK 10 1HH HHK 10 -3.135 1.541 -3.810
88 H SER 11 H SER 11 -2.136 -3.035 0.310
89 HA SER 11 HA SER 11 -0.557 -4.479 0.675
90 2HB SER 11 2HB SER 11 -0.729 -5.661 3.082
91 HG SER 11 HG SER 11 0.575 -3.673 2.296
92 H CYS 12 H CYS 12 -0.257 -7.006 1.744
93 HA CYS 12 HA CYS 12 -1.241 -8.682 -0.088
94 2HB CYS 12 2HB CYS 12 -0.715 -10.496 1.356
Start of MODEL 4
1 1H TYR 1 1H TYR 1 7.286 -9.139 -1.577
2 HA TYR 1 HA TYR 1 6.500 -8.601 0.432
3 2HB TYR 1 2HB TYR 1 7.328 -6.409 1.179
4 HD1 TYR 1 HD1 TYR 1 9.030 -8.515 1.206
5 HD2 TYR 1 HD2 TYR 1 9.024 -5.361 -1.683
6 HE1 TYR 1 HE1 TYR 1 11.467 -8.995 0.666
7 HE2 TYR 1 HE2 TYR 1 11.462 -5.852 -2.213
8 HH TYR 1 HH TYR 1 13.098 -8.619 -0.766
9 H CYS 2 H CYS 2 4.926 -7.201 1.754
10 HA CYS 2 HA CYS 2 2.535 -6.984 0.209
11 2HB CYS 2 2HB CYS 2 1.728 -6.115 2.576
12 H LYS 3 H LYS 3 3.489 -4.660 2.779
13 HA LYS 3 HA LYS 3 3.902 -2.474 2.735
14 2HB LYS 3 2HB LYS 3 3.731 -1.826 -0.082
15 2HG LYS 3 2HG LYS 3 5.091 -0.818 1.949
16 2HD LYS 3 2HD LYS 3 6.286 -3.306 1.923
17 2HE LYS 3 2HE LYS 3 7.698 -1.526 -0.031
18 1HZ LYS 3 1HZ LYS 3 9.058 -1.943 2.204
19 2HZ LYS 3 2HZ LYS 3 9.391 -3.362 1.478
20 H PHE 4 H PHE 4 2.580 -0.591 2.830
21 HA PHE 4 HA PHE 4 -0.191 -1.185 2.621
22 2HB PHE 4 2HB PHE 4 -0.178 1.396 3.248
23 HD1 PHE 4 HD1 PHE 4 -0.973 -1.212 4.455
24 HD2 PHE 4 HD2 PHE 4 2.087 1.522 5.537
25 HE1 PHE 4 HE1 PHE 4 -1.091 -2.019 6.828
26 HE2 PHE 4 HE2 PHE 4 1.970 0.714 7.911
27 HZ PHE 4 HZ PHE 4 0.382 -1.046 8.528
28 H GLU 5 H GLU 5 1.195 1.932 1.520
29 HA GLU 5 HA GLU 5 1.180 1.733 -1.113
30 1HB GLU 5 1HB GLU 5 -1.564 1.373 -0.170
31 2HB GLU 5 2HB GLU 5 -1.453 2.775 -1.213
32 1HG GLU 5 1HG GLU 5 0.093 0.493 -2.263
33 2HG GLU 5 2HG GLU 5 -1.600 0.095 -2.045
34 H DTR 6 H DTR 6 0.143 3.999 -2.178
35 HA DTR 6 HA DTR 6 0.322 6.261 -2.212
36 1HB DTR 6 1HB DTR 6 2.223 7.184 -0.958
37 2HB DTR 6 2HB DTR 6 2.399 5.667 -0.097
38 HD1 DTR 6 HD1 DTR 6 2.606 3.463 -2.147
39 HE1 DTR 6 HE1 DTR 6 4.352 3.310 -4.122
40 HZ2 DTR 6 HZ2 DTR 6 5.932 5.245 -5.502
41 HH2 DTR 6 HH2 DTR 6 6.425 7.717 -5.567
42 HZ3 DTR 6 HZ3 DTR 6 5.294 9.224 -4.009
43 HE3 DTR 6 HE3 DTR 6 3.640 8.439 -2.318
44 H IAM 7 H IAM 7 -1.931 5.481 -0.814
45 HA IAM 7 HA IAM 7 -1.779 6.902 1.746
46 HB IAM 7 HB IAM 7 -4.293 7.478 0.883
47 HD1 IAM 7 HD1 IAM 7 -5.183 5.819 -0.740
48 HE1 IAM 7 HE1 IAM 7 -5.670 5.404 -3.168
49 HE2 IAM 7 HE2 IAM 7 -2.658 8.193 -4.248
50 HD2 IAM 7 HD2 IAM 7 -2.172 8.608 -1.820
51 1HT IAM 7 1HT IAM 7 -4.479 5.468 -5.517
52 2HT IAM 7 2HT IAM 7 -3.742 7.001 -5.929
53 HH IAM 7 HH IAM 7 -5.893 7.905 -6.266
54 HI IAM 7 HI IAM 7 -7.059 6.537 -4.060
55 1HB IAM 7 1HB IAM 7 -2.934 8.490 0.439
56 1HK1 IAM 7 1HK1 IAM 7 -7.043 4.837 -6.562
57 2HK1 IAM 7 2HK1 IAM 7 -6.171 4.471 -5.093
58 3HK1 IAM 7 3HK1 IAM 7 -7.918 4.475 -5.095
59 1HK2 IAM 7 1HK2 IAM 7 -9.162 6.539 -5.447
60 2HK2 IAM 7 2HK2 IAM 7 -8.390 8.099 -5.303
61 3HK2 IAM 7 3HK2 IAM 7 -8.211 7.168 -6.771
62 H THR 8 H THR 8 -3.514 4.554 -0.375
63 HA THR 8 HA THR 8 -5.275 3.640 1.631
64 HB THR 8 HB THR 8 -5.302 1.625 -0.094
65 HG1 THR 8 HG1 THR 8 -3.325 2.074 -1.157
66 1HG2 THR 8 1HG2 THR 8 -5.856 4.011 -1.730
67 2HG2 THR 8 2HG2 THR 8 -6.987 2.770 -1.141
68 3HG2 THR 8 3HG2 THR 8 -6.565 4.155 -0.105
69 H PHE 9 H PHE 9 -5.165 0.997 1.949
70 HA PHE 9 HA PHE 9 -2.470 0.416 2.920
71 2HB PHE 9 2HB PHE 9 -4.347 -0.657 4.778
72 HD1 PHE 9 HD1 PHE 9 -2.908 2.761 4.271
73 HD2 PHE 9 HD2 PHE 9 -3.110 -0.706 6.712
74 HE1 PHE 9 HE1 PHE 9 -1.297 3.805 5.887
75 HE2 PHE 9 HE2 PHE 9 -1.499 0.339 8.327
76 HZ PHE 9 HZ PHE 9 -0.611 2.582 7.895
77 H HHK 10 H HHK 10 -3.993 -0.486 0.540
78 HA HHK 10 HA HHK 10 -5.085 -3.037 1.108
79 2HB HHK 10 2HB HHK 10 -4.395 -1.464 -1.345
80 1HB HHK 10 1HB HHK 10 -4.654 -3.189 -1.509
81 2HD HHK 10 2HD HHK 10 -7.837 -0.589 -1.353
82 1HD HHK 10 1HD HHK 10 -6.413 0.033 -0.541
83 2HZ HHK 10 2HZ HHK 10 -5.432 1.659 -2.461
84 1HZ HHK 10 1HZ HHK 10 -4.502 0.508 -1.531
85 2HT HHK 10 2HT HHK 10 -3.258 -0.174 -3.370
86 1HT HHK 10 1HT HHK 10 -4.510 0.258 -4.509
87 1HH HHK 10 1HH HHK 10 -3.542 2.479 -3.063
88 H SER 11 H SER 11 -3.028 -3.395 2.605
89 HA SER 11 HA SER 11 -0.677 -4.122 1.239
90 2HB SER 11 2HB SER 11 -0.254 -3.533 3.451
91 HG SER 11 HG SER 11 -2.201 -5.283 4.593
92 H CYS 12 H CYS 12 -0.146 -6.067 0.278
93 HA CYS 12 HA CYS 12 -0.219 -8.183 -0.309
94 2HB CYS 12 2HB CYS 12 -0.743 -9.842 1.170
Start of MODEL 5
1 1H TYR 1 1H TYR 1 7.753 -7.331 -1.067
2 HA TYR 1 HA TYR 1 6.639 -8.254 1.497
3 2HB TYR 1 2HB TYR 1 6.990 -5.981 2.255
4 HD1 TYR 1 HD1 TYR 1 8.986 -6.799 3.336
5 HD2 TYR 1 HD2 TYR 1 9.081 -5.621 -0.775
6 HE1 TYR 1 HE1 TYR 1 11.527 -6.842 3.375
7 HE2 TYR 1 HE2 TYR 1 11.623 -5.666 -0.721
8 HH TYR 1 HH TYR 1 13.391 -5.537 0.791
9 H CYS 2 H CYS 2 4.568 -6.983 2.089
10 HA CYS 2 HA CYS 2 2.843 -7.165 -0.214
11 2HB CYS 2 2HB CYS 2 1.171 -6.495 1.778
12 H LYS 3 H LYS 3 4.133 -4.786 2.158
13 HA LYS 3 HA LYS 3 4.098 -2.579 2.235
14 2HB LYS 3 2HB LYS 3 4.899 -3.267 -0.304
15 2HG LYS 3 2HG LYS 3 2.828 -1.031 -0.519
16 2HD LYS 3 2HD LYS 3 4.594 -2.376 -2.620
17 2HE LYS 3 2HE LYS 3 2.192 -0.647 -2.755
18 1HZ LYS 3 1HZ LYS 3 4.663 0.474 -3.525
19 2HZ LYS 3 2HZ LYS 3 3.798 0.189 -4.875
20 H PHE 4 H PHE 4 2.734 -0.553 1.897
21 HA PHE 4 HA PHE 4 -0.064 -1.387 1.953
22 2HB PHE 4 2HB PHE 4 -0.093 1.129 2.903
23 HD1 PHE 4 HD1 PHE 4 2.327 0.452 5.166
24 HD2 PHE 4 HD2 PHE 4 -1.350 -1.192 3.832
25 HE1 PHE 4 HE1 PHE 4 2.027 -0.678 7.388
26 HE2 PHE 4 HE2 PHE 4 -1.650 -2.321 6.053
27 HZ PHE 4 HZ PHE 4 0.040 -2.051 7.804
28 H GLU 5 H GLU 5 1.208 1.905 1.333
29 HA GLU 5 HA GLU 5 1.197 2.070 -1.313
30 1HB GLU 5 1HB GLU 5 -1.518 1.497 -0.437
31 2HB GLU 5 2HB GLU 5 -1.470 3.076 -1.195
32 1HG GLU 5 1HG GLU 5 -1.573 1.962 -3.179
33 2HG GLU 5 2HG GLU 5 0.115 1.573 -2.916
34 H DTR 6 H DTR 6 0.192 4.447 -2.061
35 HA DTR 6 HA DTR 6 0.497 6.684 -1.818
36 1HB DTR 6 1HB DTR 6 2.214 7.433 -0.334
37 2HB DTR 6 2HB DTR 6 2.133 5.960 0.613
38 HD1 DTR 6 HD1 DTR 6 3.307 3.740 -0.489
39 HE1 DTR 6 HE1 DTR 6 5.145 3.362 -2.344
40 HZ2 DTR 6 HZ2 DTR 6 6.238 5.019 -4.394
41 HH2 DTR 6 HH2 DTR 6 6.062 7.339 -5.368
42 HZ3 DTR 6 HZ3 DTR 6 4.482 8.942 -4.417
43 HE3 DTR 6 HE3 DTR 6 2.994 8.403 -2.491
44 H IAM 7 H IAM 7 -1.968 5.869 -0.963
45 HA IAM 7 HA IAM 7 -2.262 7.128 1.673
46 HB IAM 7 HB IAM 7 -4.663 7.524 0.609
47 HD1 IAM 7 HD1 IAM 7 -5.774 6.050 -0.879
48 HE1 IAM 7 HE1 IAM 7 -6.200 5.324 -3.245
49 HE2 IAM 7 HE2 IAM 7 -2.646 7.282 -4.487
50 HD2 IAM 7 HD2 IAM 7 -2.221 8.010 -2.122
51 1HT IAM 7 1HT IAM 7 -5.763 5.773 -5.616
52 2HT IAM 7 2HT IAM 7 -4.275 4.851 -5.603
53 HH IAM 7 HH IAM 7 -4.573 7.680 -6.577
54 HI IAM 7 HI IAM 7 -2.051 6.342 -6.249
55 1HB IAM 7 1HB IAM 7 -3.342 8.536 0.060
56 1HK1 IAM 7 1HK1 IAM 7 -3.110 7.804 -8.677
57 2HK1 IAM 7 2HK1 IAM 7 -2.301 8.557 -7.322
58 3HK1 IAM 7 3HK1 IAM 7 -1.426 7.454 -8.357
59 1HK2 IAM 7 1HK2 IAM 7 -3.788 4.676 -7.583
60 2HK2 IAM 7 2HK2 IAM 7 -2.938 5.464 -8.889
61 3HK2 IAM 7 3HK2 IAM 7 -2.045 4.587 -7.671
62 H THR 8 H THR 8 -3.085 4.414 -0.477
63 HA THR 8 HA THR 8 -5.008 3.336 1.391
64 HB THR 8 HB THR 8 -4.693 1.396 -0.444
65 HG1 THR 8 HG1 THR 8 -3.268 2.109 -1.979
66 1HG2 THR 8 1HG2 THR 8 -6.666 3.069 -0.246
67 2HG2 THR 8 2HG2 THR 8 -5.763 4.099 -1.384
68 3HG2 THR 8 3HG2 THR 8 -6.303 2.480 -1.886
69 H PHE 9 H PHE 9 -4.808 1.182 2.348
70 HA PHE 9 HA PHE 9 -2.024 0.405 2.777
71 2HB PHE 9 2HB PHE 9 -3.531 0.015 5.196
72 HD1 PHE 9 HD1 PHE 9 -1.930 0.085 6.836
73 HD2 PHE 9 HD2 PHE 9 -1.666 2.861 3.637
74 HE1 PHE 9 HE1 PHE 9 0.180 1.021 7.822
75 HE2 PHE 9 HE2 PHE 9 0.445 3.796 4.623
76 HZ PHE 9 HZ PHE 9 1.342 2.865 6.704
77 H HHK 10 H HHK 10 -4.173 -0.710 1.067
78 HA HHK 10 HA HHK 10 -5.590 -2.754 2.180
79 2HB HHK 10 2HB HHK 10 -4.384 -2.255 -0.516
80 1HB HHK 10 1HB HHK 10 -5.049 -3.843 -0.185
81 2HD HHK 10 2HD HHK 10 -7.485 -0.641 -1.159
82 1HD HHK 10 1HD HHK 10 -6.009 -0.165 -0.345
83 2HZ HHK 10 2HZ HHK 10 -4.419 0.546 -2.540
84 1HZ HHK 10 1HZ HHK 10 -4.025 -0.382 -1.114
85 2HT HHK 10 2HT HHK 10 -2.516 -1.581 -2.277
86 1HT HHK 10 1HT HHK 10 -3.745 -2.064 -3.421
87 1HH HHK 10 1HH HHK 10 -2.868 0.616 -3.733
88 H SER 11 H SER 11 -2.379 -3.225 0.536
89 HA SER 11 HA SER 11 -0.664 -4.456 1.089
90 2HB SER 11 2HB SER 11 -0.241 -5.200 3.308
91 HG SER 11 HG SER 11 -2.214 -3.184 3.867
92 H CYS 12 H CYS 12 -0.378 -6.319 -0.079
93 HA CYS 12 HA CYS 12 -0.676 -8.337 -0.886
94 2HB CYS 12 2HB CYS 12 -1.195 -10.077 0.496
Start of MODEL 6
1 1H TYR 1 1H TYR 1 8.056 -6.426 3.518
2 HA TYR 1 HA TYR 1 6.226 -5.185 3.357
3 2HB TYR 1 2HB TYR 1 5.989 -4.195 0.862
4 HD1 TYR 1 HD1 TYR 1 9.214 -4.600 2.760
5 HD2 TYR 1 HD2 TYR 1 6.274 -1.923 1.179
6 HE1 TYR 1 HE1 TYR 1 10.501 -2.619 3.701
7 HE2 TYR 1 HE2 TYR 1 7.570 0.048 2.127
8 HH TYR 1 HH TYR 1 9.740 -0.174 4.453
9 H CYS 2 H CYS 2 4.205 -4.743 1.569
10 HA CYS 2 HA CYS 2 3.409 -7.350 0.567
11 2HB CYS 2 2HB CYS 2 1.297 -5.918 2.066
12 H LYS 3 H LYS 3 1.740 -4.198 1.276
13 HA LYS 3 HA LYS 3 2.018 -3.142 -1.285
14 2HB LYS 3 2HB LYS 3 -0.787 -4.136 -1.032
15 2HG LYS 3 2HG LYS 3 0.503 -2.591 -2.874
16 2HD LYS 3 2HD LYS 3 0.517 -5.333 -4.172
17 2HE LYS 3 2HE LYS 3 1.895 -2.669 -4.767
18 1HZ LYS 3 1HZ LYS 3 2.411 -5.335 -5.689
19 2HZ LYS 3 2HZ LYS 3 2.061 -4.336 -6.927
20 H PHE 4 H PHE 4 2.432 -2.090 1.190
21 HA PHE 4 HA PHE 4 0.419 -0.997 2.603
22 2HB PHE 4 2HB PHE 4 2.261 1.076 2.432
23 HD1 PHE 4 HD1 PHE 4 2.197 -2.517 3.382
24 HD2 PHE 4 HD2 PHE 4 3.331 1.422 4.484
25 HE1 PHE 4 HE1 PHE 4 2.783 -3.329 5.684
26 HE2 PHE 4 HE2 PHE 4 3.917 0.611 6.784
27 HZ PHE 4 HZ PHE 4 3.636 -1.756 7.358
28 H GLU 5 H GLU 5 1.533 -0.047 -0.653
29 HA GLU 5 HA GLU 5 0.539 1.156 -2.182
30 1HB GLU 5 1HB GLU 5 -1.634 0.677 -0.381
31 2HB GLU 5 2HB GLU 5 -1.722 2.367 -0.834
32 1HG GLU 5 1HG GLU 5 -1.144 0.494 -3.086
33 2HG GLU 5 2HG GLU 5 -2.724 0.301 -2.355
34 H DTR 6 H DTR 6 -0.479 3.662 -2.382
35 HA DTR 6 HA DTR 6 0.113 5.849 -2.246
36 1HB DTR 6 1HB DTR 6 2.388 6.359 -1.605
37 2HB DTR 6 2HB DTR 6 2.581 4.782 -0.867
38 HD1 DTR 6 HD1 DTR 6 1.786 2.751 -3.024
39 HE1 DTR 6 HE1 DTR 6 2.948 2.490 -5.380
40 HZ2 DTR 6 HZ2 DTR 6 4.518 4.237 -7.001
41 HH2 DTR 6 HH2 DTR 6 5.473 6.570 -7.046
42 HZ3 DTR 6 HZ3 DTR 6 5.072 8.086 -5.172
43 HE3 DTR 6 HE3 DTR 6 3.737 7.443 -3.168
44 H IAM 7 H IAM 7 -1.785 5.801 -0.578
45 HA IAM 7 HA IAM 7 -0.718 6.553 2.046
46 HB IAM 7 HB IAM 7 -3.093 7.650 2.125
47 HD1 IAM 7 HD1 IAM 7 -5.054 6.498 1.354
48 HE1 IAM 7 HE1 IAM 7 -6.687 6.135 -0.519
49 HE2 IAM 7 HE2 IAM 7 -3.819 7.571 -3.297
50 HD2 IAM 7 HD2 IAM 7 -2.187 7.935 -1.424
51 1HT IAM 7 1HT IAM 7 -6.599 7.552 -3.591
52 2HT IAM 7 2HT IAM 7 -7.224 6.137 -2.775
53 HH IAM 7 HH IAM 7 -4.728 5.487 -4.113
54 HI IAM 7 HI IAM 7 -7.438 4.799 -4.932
55 1HB IAM 7 1HB IAM 7 -1.956 8.355 0.997
56 1HK1 IAM 7 1HK1 IAM 7 -4.846 4.616 -6.481
57 2HK1 IAM 7 2HK1 IAM 7 -5.477 3.371 -5.429
58 3HK1 IAM 7 3HK1 IAM 7 -6.334 3.796 -6.892
59 1HK2 IAM 7 1HK2 IAM 7 -7.974 6.522 -6.259
60 2HK2 IAM 7 2HK2 IAM 7 -6.443 7.293 -5.924
61 3HK2 IAM 7 3HK2 IAM 7 -6.582 6.163 -7.249
62 H THR 8 H THR 8 -3.299 4.679 0.349
63 HA THR 8 HA THR 8 -4.634 3.749 2.595
64 HB THR 8 HB THR 8 -5.207 1.833 0.925
65 HG1 THR 8 HG1 THR 8 -3.624 1.810 -0.630
66 1HG2 THR 8 1HG2 THR 8 -6.833 3.259 0.195
67 2HG2 THR 8 2HG2 THR 8 -5.910 4.627 0.862
68 3HG2 THR 8 3HG2 THR 8 -5.641 4.108 -0.819
69 H PHE 9 H PHE 9 -4.595 0.961 2.547
70 HA PHE 9 HA PHE 9 -1.877 0.142 3.028
71 2HB PHE 9 2HB PHE 9 -3.661 -0.478 5.318
72 HD1 PHE 9 HD1 PHE 9 -2.175 -1.462 6.769
73 HD2 PHE 9 HD2 PHE 9 -0.937 1.993 4.638
74 HE1 PHE 9 HE1 PHE 9 0.026 -1.505 7.975
75 HE2 PHE 9 HE2 PHE 9 1.264 1.948 5.843
76 HZ PHE 9 HZ PHE 9 1.719 0.200 7.498
77 H HHK 10 H HHK 10 -4.007 -0.599 1.150
78 HA HHK 10 HA HHK 10 -5.535 -2.733 1.877
79 2HB HHK 10 2HB HHK 10 -4.512 -1.566 -0.575
80 1HB HHK 10 1HB HHK 10 -4.579 -3.312 -0.705
81 2HD HHK 10 2HD HHK 10 -8.032 -0.898 -0.090
82 1HD HHK 10 1HD HHK 10 -6.437 -0.362 0.401
83 2HZ HHK 10 2HZ HHK 10 -5.941 1.544 -1.013
84 1HZ HHK 10 1HZ HHK 10 -4.753 0.289 -1.262
85 2HT HHK 10 2HT HHK 10 -4.845 0.548 -3.639
86 1HT HHK 10 1HT HHK 10 -6.278 1.543 -3.545
87 1HH HHK 10 1HH HHK 10 -4.522 2.841 -2.011
88 H SER 11 H SER 11 -2.047 -2.700 0.931
89 HA SER 11 HA SER 11 -0.453 -4.140 1.230
90 2HB SER 11 2HB SER 11 -1.182 -6.000 3.161
91 HG SER 11 HG SER 11 0.579 -4.234 3.071
92 H CYS 12 H CYS 12 0.271 -6.206 0.433
93 HA CYS 12 HA CYS 12 -1.460 -7.421 -1.369
94 2HB CYS 12 2HB CYS 12 1.061 -7.342 -1.443
Start of MODEL 7
1 1H TYR 1 1H TYR 1 6.138 -9.752 -0.983
2 HA TYR 1 HA TYR 1 6.438 -8.810 1.259
3 2HB TYR 1 2HB TYR 1 6.866 -6.241 1.115
4 HD1 TYR 1 HD1 TYR 1 8.592 -6.514 2.693
5 HD2 TYR 1 HD2 TYR 1 9.098 -8.067 -1.261
6 HE1 TYR 1 HE1 TYR 1 11.030 -7.028 3.199
7 HE2 TYR 1 HE2 TYR 1 11.534 -8.578 -0.741
8 HH TYR 1 HH TYR 1 12.738 -8.658 2.346
9 H CYS 2 H CYS 2 4.991 -6.736 2.053
10 HA CYS 2 HA CYS 2 2.465 -7.211 0.734
11 2HB CYS 2 2HB CYS 2 2.121 -5.415 2.875
12 H LYS 3 H LYS 3 3.523 -4.173 2.355
13 HA LYS 3 HA LYS 3 3.934 -2.133 1.538
14 2HB LYS 3 2HB LYS 3 3.309 -2.958 -1.288
15 2HG LYS 3 2HG LYS 3 5.681 -1.318 -0.591
16 2HD LYS 3 2HD LYS 3 3.702 -1.615 -2.720
17 2HE LYS 3 2HE LYS 3 4.439 1.257 -2.005
18 1HZ LYS 3 1HZ LYS 3 2.437 0.179 -3.914
19 2HZ LYS 3 2HZ LYS 3 2.884 1.736 -3.756
20 H PHE 4 H PHE 4 2.420 -0.706 2.179
21 HA PHE 4 HA PHE 4 -0.335 -1.295 1.799
22 2HB PHE 4 2HB PHE 4 -0.381 1.157 2.823
23 HD1 PHE 4 HD1 PHE 4 -1.505 -1.225 3.760
24 HD2 PHE 4 HD2 PHE 4 2.146 0.553 4.992
25 HE1 PHE 4 HE1 PHE 4 -1.681 -2.399 5.972
26 HE2 PHE 4 HE2 PHE 4 1.971 -0.620 7.205
27 HZ PHE 4 HZ PHE 4 0.060 -2.081 7.669
28 H GLU 5 H GLU 5 1.028 1.975 1.244
29 HA GLU 5 HA GLU 5 1.053 2.156 -1.408
30 1HB GLU 5 1HB GLU 5 -1.672 1.653 -0.574
31 2HB GLU 5 2HB GLU 5 -1.584 3.267 -1.251
32 1HG GLU 5 1HG GLU 5 -1.844 2.126 -3.237
33 2HG GLU 5 2HG GLU 5 -0.102 1.976 -3.120
34 H DTR 6 H DTR 6 -0.050 4.597 -2.075
35 HA DTR 6 HA DTR 6 0.247 6.828 -1.790
36 1HB DTR 6 1HB DTR 6 2.141 7.481 -0.304
37 2HB DTR 6 2HB DTR 6 2.309 5.801 0.166
38 HD1 DTR 6 HD1 DTR 6 2.945 4.060 -1.994
39 HE1 DTR 6 HE1 DTR 6 4.507 4.406 -4.093
40 HZ2 DTR 6 HZ2 DTR 6 5.536 6.715 -5.418
41 HH2 DTR 6 HH2 DTR 6 5.510 9.234 -5.313
42 HZ3 DTR 6 HZ3 DTR 6 4.234 10.366 -3.561
43 HE3 DTR 6 HE3 DTR 6 2.926 9.141 -1.828
44 H IAM 7 H IAM 7 -2.047 5.942 -0.560
45 HA IAM 7 HA IAM 7 -1.895 7.035 2.162
46 HB IAM 7 HB IAM 7 -4.429 7.609 1.418
47 HD1 IAM 7 HD1 IAM 7 -2.397 8.879 -1.316
48 HE1 IAM 7 HE1 IAM 7 -2.987 8.591 -3.740
49 HE2 IAM 7 HE2 IAM 7 -6.015 5.815 -2.674
50 HD2 IAM 7 HD2 IAM 7 -5.424 6.103 -0.251
51 1HT IAM 7 1HT IAM 7 -4.592 6.037 -5.148
52 2HT IAM 7 2HT IAM 7 -4.390 7.758 -5.405
53 HH IAM 7 HH IAM 7 -6.877 7.830 -4.409
54 HI IAM 7 HI IAM 7 -6.772 6.656 -6.984
55 1HB IAM 7 1HB IAM 7 -3.118 8.682 0.973
56 1HK1 IAM 7 1HK1 IAM 7 -8.886 6.212 -4.864
57 2HK1 IAM 7 2HK1 IAM 7 -8.829 7.577 -5.955
58 3HK1 IAM 7 3HK1 IAM 7 -9.103 5.969 -6.581
59 1HK2 IAM 7 1HK2 IAM 7 -7.621 4.289 -5.726
60 2HK2 IAM 7 2HK2 IAM 7 -6.184 4.514 -6.695
61 3HK2 IAM 7 3HK2 IAM 7 -6.111 4.727 -4.963
62 H THR 8 H THR 8 -3.503 4.781 -0.143
63 HA THR 8 HA THR 8 -5.267 3.631 1.706
64 HB THR 8 HB THR 8 -4.984 1.685 -0.104
65 HG1 THR 8 HG1 THR 8 -3.536 2.302 -1.681
66 1HG2 THR 8 1HG2 THR 8 -5.736 4.087 -1.634
67 2HG2 THR 8 2HG2 THR 8 -6.743 2.693 -1.173
68 3HG2 THR 8 3HG2 THR 8 -6.530 4.051 -0.042
69 H PHE 9 H PHE 9 -4.894 0.920 1.759
70 HA PHE 9 HA PHE 9 -2.255 0.455 2.858
71 2HB PHE 9 2HB PHE 9 -4.417 -0.556 4.607
72 HD1 PHE 9 HD1 PHE 9 -1.627 1.862 4.212
73 HD2 PHE 9 HD2 PHE 9 -3.699 -0.760 6.826
74 HE1 PHE 9 HE1 PHE 9 0.164 2.173 5.944
75 HE2 PHE 9 HE2 PHE 9 -1.909 -0.449 8.558
76 HZ PHE 9 HZ PHE 9 0.002 1.014 8.095
77 H HHK 10 H HHK 10 -3.824 -0.468 0.497
78 HA HHK 10 HA HHK 10 -4.882 -3.021 1.047
79 2HB HHK 10 2HB HHK 10 -4.365 -1.320 -1.286
80 1HB HHK 10 1HB HHK 10 -4.132 -3.024 -1.624
81 2HD HHK 10 2HD HHK 10 -7.874 -1.522 -1.794
82 1HD HHK 10 1HD HHK 10 -6.795 -0.469 -0.901
83 2HZ HHK 10 2HZ HHK 10 -5.973 1.257 -2.958
84 1HZ HHK 10 1HZ HHK 10 -5.062 0.497 -1.675
85 2HT HHK 10 2HT HHK 10 -4.378 0.138 -4.591
86 1HT HHK 10 1HT HHK 10 -3.668 1.394 -3.608
87 1HH HHK 10 1HH HHK 10 -2.909 -0.325 -2.103
88 H SER 11 H SER 11 -3.189 -3.843 2.523
89 HA SER 11 HA SER 11 -0.646 -4.367 1.352
90 2HB SER 11 2HB SER 11 -0.048 -5.270 3.505
91 HG SER 11 HG SER 11 -2.028 -3.204 3.968
92 H CYS 12 H CYS 12 0.245 -6.545 0.992
93 HA CYS 12 HA CYS 12 -1.236 -8.177 -0.519
94 2HB CYS 12 2HB CYS 12 1.181 -8.348 -0.286
Start of MODEL 8
1 1H TYR 1 1H TYR 1 6.843 -9.211 -2.050
2 HA TYR 1 HA TYR 1 6.167 -8.743 0.084
3 2HB TYR 1 2HB TYR 1 7.068 -6.444 0.518
4 HD1 TYR 1 HD1 TYR 1 8.449 -6.162 -2.751
5 HD2 TYR 1 HD2 TYR 1 8.775 -8.389 0.888
6 HE1 TYR 1 HE1 TYR 1 10.806 -6.869 -3.388
7 HE2 TYR 1 HE2 TYR 1 11.132 -9.089 0.240
8 HH TYR 1 HH TYR 1 12.803 -8.719 -1.135
9 H CYS 2 H CYS 2 5.022 -6.949 1.553
10 HA CYS 2 HA CYS 2 2.330 -6.881 0.580
11 2HB CYS 2 2HB CYS 2 2.387 -5.508 2.989
12 H LYS 3 H LYS 3 3.834 -4.259 2.515
13 HA LYS 3 HA LYS 3 4.075 -2.092 2.171
14 2HB LYS 3 2HB LYS 3 3.950 -1.655 -0.601
15 2HG LYS 3 2HG LYS 3 5.629 -0.938 1.302
16 2HD LYS 3 2HD LYS 3 6.831 -3.542 0.266
17 2HE LYS 3 2HE LYS 3 8.192 -1.336 1.885
18 1HZ LYS 3 1HZ LYS 3 8.752 -3.904 2.048
19 2HZ LYS 3 2HZ LYS 3 9.594 -3.607 0.685
20 H PHE 4 H PHE 4 2.372 -0.969 2.947
21 HA PHE 4 HA PHE 4 -0.253 -1.426 2.207
22 2HB PHE 4 2HB PHE 4 -0.411 1.020 3.251
23 HD1 PHE 4 HD1 PHE 4 -1.435 -1.574 3.980
24 HD2 PHE 4 HD2 PHE 4 1.789 0.593 5.687
25 HE1 PHE 4 HE1 PHE 4 -1.775 -2.781 6.154
26 HE2 PHE 4 HE2 PHE 4 1.449 -0.613 7.862
27 HZ PHE 4 HZ PHE 4 -0.330 -2.286 8.069
28 H GLU 5 H GLU 5 1.085 1.877 1.786
29 HA GLU 5 HA GLU 5 1.302 2.121 -0.839
30 1HB GLU 5 1HB GLU 5 -1.491 1.548 -0.215
31 2HB GLU 5 2HB GLU 5 -1.351 3.121 -0.973
32 1HG GLU 5 1HG GLU 5 -0.817 2.220 -2.999
33 2HG GLU 5 2HG GLU 5 0.364 1.133 -2.300
34 H DTR 6 H DTR 6 0.500 4.507 -1.628
35 HA DTR 6 HA DTR 6 0.831 6.729 -1.292
36 1HB DTR 6 1HB DTR 6 2.265 7.415 0.475
37 2HB DTR 6 2HB DTR 6 1.937 5.970 1.411
38 HD1 DTR 6 HD1 DTR 6 3.040 3.606 0.355
39 HE1 DTR 6 HE1 DTR 6 5.258 3.145 -0.997
40 HZ2 DTR 6 HZ2 DTR 6 7.016 4.804 -2.515
41 HH2 DTR 6 HH2 DTR 6 7.340 7.194 -3.251
42 HZ3 DTR 6 HZ3 DTR 6 5.731 8.905 -2.572
43 HE3 DTR 6 HE3 DTR 6 3.738 8.409 -1.159
44 H IAM 7 H IAM 7 -1.766 6.029 -0.975
45 HA IAM 7 HA IAM 7 -2.540 7.244 1.581
46 HB IAM 7 HB IAM 7 -4.687 7.675 0.068
47 HD1 IAM 7 HD1 IAM 7 -5.528 6.313 -1.661
48 HE1 IAM 7 HE1 IAM 7 -5.471 5.623 -4.076
49 HE2 IAM 7 HE2 IAM 7 -1.642 7.405 -4.493
50 HD2 IAM 7 HD2 IAM 7 -1.700 8.095 -2.080
51 1HT IAM 7 1HT IAM 7 -3.422 6.924 -6.509
52 2HT IAM 7 2HT IAM 7 -4.426 5.540 -6.141
53 HH IAM 7 HH IAM 7 -1.903 4.701 -5.320
54 HI IAM 7 HI IAM 7 -2.498 5.440 -8.192
55 1HB IAM 7 1HB IAM 7 -3.275 8.681 -0.187
56 1HK1 IAM 7 1HK1 IAM 7 -1.311 2.875 -7.115
57 2HK1 IAM 7 2HK1 IAM 7 -2.949 3.059 -7.700
58 3HK1 IAM 7 3HK1 IAM 7 -1.603 3.228 -8.801
59 1HK2 IAM 7 1HK2 IAM 7 0.169 4.636 -8.075
60 2HK2 IAM 7 2HK2 IAM 7 -0.411 6.271 -8.275
61 3HK2 IAM 7 3HK2 IAM 7 -0.041 5.665 -6.679
62 H THR 8 H THR 8 -2.697 4.426 -0.473
63 HA THR 8 HA THR 8 -5.054 3.410 0.923
64 HB THR 8 HB THR 8 -4.214 1.473 -0.877
65 HG1 THR 8 HG1 THR 8 -3.758 4.104 -2.052
66 1HG2 THR 8 1HG2 THR 8 -5.730 2.652 -2.562
67 2HG2 THR 8 2HG2 THR 8 -6.485 2.397 -0.969
68 3HG2 THR 8 3HG2 THR 8 -5.857 4.003 -1.410
69 H PHE 9 H PHE 9 -4.873 0.939 1.471
70 HA PHE 9 HA PHE 9 -2.256 0.370 2.613
71 2HB PHE 9 2HB PHE 9 -4.459 -0.332 4.427
72 HD1 PHE 9 HD1 PHE 9 -3.465 -0.659 6.470
73 HD2 PHE 9 HD2 PHE 9 -1.956 2.410 3.960
74 HE1 PHE 9 HE1 PHE 9 -1.697 -0.136 8.172
75 HE2 PHE 9 HE2 PHE 9 -0.187 2.935 5.661
76 HZ PHE 9 HZ PHE 9 -0.079 1.655 7.748
77 H HHK 10 H HHK 10 -3.675 -0.722 0.304
78 HA HHK 10 HA HHK 10 -5.007 -3.099 1.055
79 2HB HHK 10 2HB HHK 10 -3.888 -1.992 -1.512
80 1HB HHK 10 1HB HHK 10 -4.474 -3.641 -1.438
81 2HD HHK 10 2HD HHK 10 -7.057 -0.331 -1.570
82 1HD HHK 10 1HD HHK 10 -5.470 -0.077 -0.867
83 2HZ HHK 10 2HZ HHK 10 -4.247 1.234 -2.926
84 1HZ HHK 10 1HZ HHK 10 -3.592 -0.073 -1.972
85 2HT HHK 10 2HT HHK 10 -2.675 -1.145 -3.827
86 1HT HHK 10 1HT HHK 10 -3.809 -0.415 -4.938
87 1HH HHK 10 1HH HHK 10 -2.475 1.663 -3.864
88 H SER 11 H SER 11 -3.301 -3.629 2.778
89 HA SER 11 HA SER 11 -0.775 -4.444 1.984
90 2HB SER 11 2HB SER 11 -2.532 -5.018 4.380
91 HG SER 11 HG SER 11 0.155 -5.763 4.616
92 H CYS 12 H CYS 12 0.070 -6.476 1.350
93 HA CYS 12 HA CYS 12 -1.581 -8.135 -0.099
94 2HB CYS 12 2HB CYS 12 0.885 -7.916 -0.336
Start of MODEL 9
1 1H TYR 1 1H TYR 1 8.076 -7.136 -1.261
2 HA TYR 1 HA TYR 1 6.986 -6.533 1.204
3 2HB TYR 1 2HB TYR 1 7.792 -4.795 -0.295
4 HD1 TYR 1 HD1 TYR 1 8.911 -5.346 -2.328
5 HD2 TYR 1 HD2 TYR 1 4.636 -5.404 -2.165
6 HE1 TYR 1 HE1 TYR 1 8.809 -5.553 -4.860
7 HE2 TYR 1 HE2 TYR 1 4.550 -5.612 -4.698
8 HH TYR 1 HH TYR 1 5.813 -5.237 -6.576
9 H CYS 2 H CYS 2 4.610 -5.210 0.973
10 HA CYS 2 HA CYS 2 2.785 -7.410 0.353
11 2HB CYS 2 2HB CYS 2 1.299 -5.733 1.870
12 H LYS 3 H LYS 3 1.745 -4.072 0.966
13 HA LYS 3 HA LYS 3 1.844 -2.923 -1.485
14 2HB LYS 3 2HB LYS 3 0.732 -4.584 -2.662
15 2HG LYS 3 2HG LYS 3 -0.963 -4.875 -0.157
16 2HD LYS 3 2HD LYS 3 -2.361 -4.777 -2.360
17 2HE LYS 3 2HE LYS 3 -0.502 -7.053 -2.874
18 1HZ LYS 3 1HZ LYS 3 -3.134 -7.701 -2.487
19 2HZ LYS 3 2HZ LYS 3 -3.049 -7.510 -4.101
20 H PHE 4 H PHE 4 2.000 -2.134 1.170
21 HA PHE 4 HA PHE 4 -0.442 -1.175 2.176
22 2HB PHE 4 2HB PHE 4 1.582 0.464 3.179
23 HD1 PHE 4 HD1 PHE 4 -0.564 -0.285 4.606
24 HD2 PHE 4 HD2 PHE 4 2.950 -2.603 4.069
25 HE1 PHE 4 HE1 PHE 4 -1.082 -1.559 6.706
26 HE2 PHE 4 HE2 PHE 4 2.431 -3.875 6.169
27 HZ PHE 4 HZ PHE 4 0.421 -3.339 7.462
28 H GLU 5 H GLU 5 2.364 0.805 0.979
29 HA GLU 5 HA GLU 5 2.454 2.616 -0.221
30 1HB GLU 5 1HB GLU 5 -0.029 1.388 -1.208
31 2HB GLU 5 2HB GLU 5 -0.064 3.133 -1.354
32 1HG GLU 5 1HG GLU 5 1.164 2.878 -3.250
33 2HG GLU 5 2HG GLU 5 2.524 2.512 -2.206
34 H DTR 6 H DTR 6 1.592 4.960 -0.330
35 HA DTR 6 HA DTR 6 1.096 6.806 0.911
36 1HB DTR 6 1HB DTR 6 0.940 6.649 3.243
37 2HB DTR 6 2HB DTR 6 0.357 4.998 3.195
38 HD1 DTR 6 HD1 DTR 6 2.244 3.049 2.832
39 HE1 DTR 6 HE1 DTR 6 4.861 2.933 3.161
40 HZ2 DTR 6 HZ2 DTR 6 6.895 4.912 3.448
41 HH2 DTR 6 HH2 DTR 6 7.229 7.411 3.526
42 HZ3 DTR 6 HZ3 DTR 6 5.306 8.904 3.306
43 HE3 DTR 6 HE3 DTR 6 2.974 8.079 2.999
44 H IAM 7 H IAM 7 -0.801 6.929 -0.640
45 HA IAM 7 HA IAM 7 -3.181 7.422 0.502
46 HB IAM 7 HB IAM 7 -4.005 6.671 -1.939
47 HD1 IAM 7 HD1 IAM 7 -3.180 4.500 -2.743
48 HE1 IAM 7 HE1 IAM 7 -1.535 3.355 -4.255
49 HE2 IAM 7 HE2 IAM 7 1.013 6.743 -4.055
50 HD2 IAM 7 HD2 IAM 7 -0.633 7.890 -2.544
51 1HT IAM 7 1HT IAM 7 0.791 4.728 -6.136
52 2HT IAM 7 2HT IAM 7 0.592 3.243 -5.231
53 HH IAM 7 HH IAM 7 2.334 4.882 -3.690
54 HI IAM 7 HI IAM 7 3.611 4.652 -6.137
55 1HB IAM 7 1HB IAM 7 -2.916 8.035 -1.786
56 1HK1 IAM 7 1HK1 IAM 7 2.790 1.878 -5.256
57 2HK1 IAM 7 2HK1 IAM 7 2.178 2.706 -6.668
58 3HK1 IAM 7 3HK1 IAM 7 3.860 2.243 -6.589
59 1HK2 IAM 7 1HK2 IAM 7 4.978 2.789 -4.552
60 2HK2 IAM 7 2HK2 IAM 7 5.329 4.495 -4.702
61 3HK2 IAM 7 3HK2 IAM 7 4.277 3.929 -3.430
62 H THR 8 H THR 8 -2.106 4.251 -0.881
63 HA THR 8 HA THR 8 -4.583 3.028 0.036
64 HB THR 8 HB THR 8 -3.080 1.027 -1.082
65 HG1 THR 8 HG1 THR 8 -1.634 2.035 -2.544
66 1HG2 THR 8 1HG2 THR 8 -3.935 2.015 -3.390
67 2HG2 THR 8 2HG2 THR 8 -5.133 1.472 -2.190
68 3HG2 THR 8 3HG2 THR 8 -4.768 3.206 -2.361
69 H PHE 9 H PHE 9 -4.070 0.609 0.920
70 HA PHE 9 HA PHE 9 -1.868 0.359 2.625
71 2HB PHE 9 2HB PHE 9 -4.323 0.653 4.304
72 HD1 PHE 9 HD1 PHE 9 -3.680 0.673 6.510
73 HD2 PHE 9 HD2 PHE 9 -1.003 2.228 3.606
74 HE1 PHE 9 HE1 PHE 9 -1.962 1.064 8.300
75 HE2 PHE 9 HE2 PHE 9 0.712 2.616 5.396
76 HZ PHE 9 HZ PHE 9 0.212 2.031 7.721
77 H HHK 10 H HHK 10 -3.450 -1.162 0.663
78 HA HHK 10 HA HHK 10 -4.874 -3.103 2.274
79 2HB HHK 10 2HB HHK 10 -5.696 -3.962 0.246
80 1HB HHK 10 1HB HHK 10 -5.685 -2.223 0.035
81 2HD HHK 10 2HD HHK 10 -5.304 -2.278 -2.616
82 1HD HHK 10 1HD HHK 10 -4.496 -1.168 -1.526
83 2HZ HHK 10 2HZ HHK 10 -2.655 0.080 -2.972
84 1HZ HHK 10 1HZ HHK 10 -2.216 -0.825 -1.544
85 2HT HHK 10 2HT HHK 10 -0.213 -1.420 -2.417
86 1HT HHK 10 1HT HHK 10 -0.919 -1.839 -3.957
87 1HH HHK 10 1HH HHK 10 -1.124 0.796 -3.957
88 H SER 11 H SER 11 -2.269 -2.956 3.150
89 HA SER 11 HA SER 11 -0.349 -4.347 1.924
90 2HB SER 11 2HB SER 11 -0.502 -3.263 4.327
91 HG SER 11 HG SER 11 -1.671 -4.585 5.599
92 H CYS 12 H CYS 12 -0.314 -6.338 0.956
93 HA CYS 12 HA CYS 12 -1.002 -8.361 0.371
94 2HB CYS 12 2HB CYS 12 -0.832 -10.063 2.222
Start of MODEL 10
1 1H TYR 1 1H TYR 1 8.642 -7.189 -0.066
2 HA TYR 1 HA TYR 1 7.159 -6.315 1.428
3 2HB TYR 1 2HB TYR 1 7.813 -4.436 0.031
4 HD1 TYR 1 HD1 TYR 1 8.908 -5.245 -2.044
5 HD2 TYR 1 HD2 TYR 1 4.674 -4.666 -1.824
6 HE1 TYR 1 HE1 TYR 1 8.761 -5.296 -4.582
7 HE2 TYR 1 HE2 TYR 1 4.542 -4.719 -4.362
8 HH TYR 1 HH TYR 1 6.212 -5.920 -6.226
9 H CYS 2 H CYS 2 4.700 -5.124 1.319
10 HA CYS 2 HA CYS 2 3.000 -7.396 0.604
11 2HB CYS 2 2HB CYS 2 1.600 -5.626 2.303
12 H LYS 3 H LYS 3 2.104 -3.992 1.380
13 HA LYS 3 HA LYS 3 1.942 -2.892 -1.090
14 2HB LYS 3 2HB LYS 3 -0.823 -3.514 -1.025
15 2HG LYS 3 2HG LYS 3 1.537 -4.111 -2.835
16 2HD LYS 3 2HD LYS 3 -1.371 -4.895 -3.353
17 2HE LYS 3 2HE LYS 3 1.075 -5.548 -5.041
18 1HZ LYS 3 1HZ LYS 3 -1.788 -5.935 -5.222
19 2HZ LYS 3 2HZ LYS 3 -1.114 -5.387 -6.597
20 H PHE 4 H PHE 4 2.513 -2.055 1.484
21 HA PHE 4 HA PHE 4 0.482 -1.039 2.996
22 2HB PHE 4 2HB PHE 4 2.534 0.905 3.002
23 HD1 PHE 4 HD1 PHE 4 2.320 -2.731 3.852
24 HD2 PHE 4 HD2 PHE 4 3.063 1.218 5.219
25 HE1 PHE 4 HE1 PHE 4 2.593 -3.592 6.194
26 HE2 PHE 4 HE2 PHE 4 3.337 0.356 7.561
27 HZ PHE 4 HZ PHE 4 3.098 -2.039 8.021
28 H GLU 5 H GLU 5 1.669 0.053 -0.157
29 HA GLU 5 HA GLU 5 1.079 1.664 -1.488
30 1HB GLU 5 1HB GLU 5 -1.348 0.704 -0.313
31 2HB GLU 5 2HB GLU 5 -1.516 2.442 -0.460
32 1HG GLU 5 1HG GLU 5 -2.297 1.480 -2.538
33 2HG GLU 5 2HG GLU 5 -0.763 2.255 -2.878
34 H DTR 6 H DTR 6 0.543 4.073 -1.696
35 HA DTR 6 HA DTR 6 1.140 6.182 -1.067
36 1HB DTR 6 1HB DTR 6 2.657 6.494 0.687
37 2HB DTR 6 2HB DTR 6 2.120 5.061 1.546
38 HD1 DTR 6 HD1 DTR 6 3.098 2.667 0.646
39 HE1 DTR 6 HE1 DTR 6 5.186 1.960 -0.805
40 HZ2 DTR 6 HZ2 DTR 6 6.949 3.384 -2.539
41 HH2 DTR 6 HH2 DTR 6 7.382 5.690 -3.463
42 HZ3 DTR 6 HZ3 DTR 6 5.940 7.553 -2.809
43 HE3 DTR 6 HE3 DTR 6 4.018 7.297 -1.243
44 H IAM 7 H IAM 7 -1.316 6.419 -0.932
45 HA IAM 7 HA IAM 7 -2.066 7.227 1.720
46 HB IAM 7 HB IAM 7 -4.138 7.958 0.411
47 HD1 IAM 7 HD1 IAM 7 -5.347 6.141 -0.728
48 HE1 IAM 7 HE1 IAM 7 -5.935 5.140 -2.955
49 HE2 IAM 7 HE2 IAM 7 -2.453 6.877 -4.651
50 HD2 IAM 7 HD2 IAM 7 -1.868 7.877 -2.425
51 1HT IAM 7 1HT IAM 7 -5.062 6.084 -5.895
52 2HT IAM 7 2HT IAM 7 -5.250 4.514 -5.145
53 HH IAM 7 HH IAM 7 -2.638 5.550 -6.256
54 HI IAM 7 HI IAM 7 -3.292 2.890 -5.279
55 1HB IAM 7 1HB IAM 7 -2.649 8.588 -0.264
56 1HK1 IAM 7 1HK1 IAM 7 -1.568 3.713 -7.624
57 2HK1 IAM 7 2HK1 IAM 7 -1.010 3.550 -5.978
58 3HK1 IAM 7 3HK1 IAM 7 -1.555 2.142 -6.858
59 1HK2 IAM 7 1HK2 IAM 7 -4.184 3.582 -8.067
60 2HK2 IAM 7 2HK2 IAM 7 -3.851 1.939 -7.575
61 3HK2 IAM 7 3HK2 IAM 7 -5.123 2.844 -6.792
62 H THR 8 H THR 8 -2.457 4.425 -0.349
63 HA THR 8 HA THR 8 -4.806 3.513 1.105
64 HB THR 8 HB THR 8 -3.960 1.502 -0.647
65 HG1 THR 8 HG1 THR 8 -3.588 4.121 -1.874
66 1HG2 THR 8 1HG2 THR 8 -6.206 2.148 -0.951
67 2HG2 THR 8 2HG2 THR 8 -5.813 3.884 -0.903
68 3HG2 THR 8 3HG2 THR 8 -5.448 2.930 -2.360
69 H PHE 9 H PHE 9 -4.497 0.840 1.367
70 HA PHE 9 HA PHE 9 -2.000 0.171 2.536
71 2HB PHE 9 2HB PHE 9 -4.077 -0.072 4.618
72 HD1 PHE 9 HD1 PHE 9 -2.025 2.921 4.641
73 HD2 PHE 9 HD2 PHE 9 -2.126 -1.205 5.632
74 HE1 PHE 9 HE1 PHE 9 -0.019 3.227 6.118
75 HE2 PHE 9 HE2 PHE 9 -0.119 -0.898 7.109
76 HZ PHE 9 HZ PHE 9 0.910 1.313 7.334
77 H HHK 10 H HHK 10 -3.808 -0.875 0.495
78 HA HHK 10 HA HHK 10 -5.565 -2.777 1.179
79 2HB HHK 10 2HB HHK 10 -3.841 -2.221 -1.063
80 1HB HHK 10 1HB HHK 10 -3.928 -3.953 -0.815
81 2HD HHK 10 2HD HHK 10 -7.358 -1.576 -1.688
82 1HD HHK 10 1HD HHK 10 -5.964 -0.906 -0.866
83 2HZ HHK 10 2HZ HHK 10 -4.340 0.438 -3.260
84 1HZ HHK 10 1HZ HHK 10 -4.171 -0.348 -1.710
85 2HT HHK 10 2HT HHK 10 -3.541 -2.358 -3.505
86 1HT HHK 10 1HT HHK 10 -2.825 -0.942 -4.234
87 1HH HHK 10 1HH HHK 10 -2.159 -0.648 -1.693
88 H SER 11 H SER 11 -1.992 -2.959 1.499
89 HA SER 11 HA SER 11 -0.687 -4.361 2.522
90 2HB SER 11 2HB SER 11 -1.920 -5.668 4.535
91 HG SER 11 HG SER 11 -0.811 -4.139 5.530
92 H CYS 12 H CYS 12 0.011 -6.066 1.278
93 HA CYS 12 HA CYS 12 -1.463 -7.787 -0.139
94 2HB CYS 12 2HB CYS 12 1.091 -7.492 0.022
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