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 |
|
|
634636 |
6hvb   |
34319 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ASP 4 1H ASP 4 -0.207 -8.473 0.549
2 H2 ASP 4 2H ASP 4 -0.679 -7.555 1.750
3 H3 ASP 4 3H ASP 4 -1.571 -8.947 1.503
4 HA ASP 4 HA ASP 4 -2.283 -8.087 -0.703
5 HB2 ASP 4 1HB ASP 4 -3.201 -6.693 1.910
6 HB3 ASP 4 2HB ASP 4 -4.096 -6.659 0.403
7 H CYS 5 H CYS 5 -2.631 -6.246 -2.041
8 HA CYS 5 HA CYS 5 -0.577 -4.048 -1.670
9 HB2 CYS 5 1HB CYS 5 -1.993 -5.020 -4.211
10 HB3 CYS 5 2HB CYS 5 -0.820 -3.694 -4.113
11 H PHE 6 H PHE 6 -1.026 -2.031 -1.461
12 HA PHE 6 HA PHE 6 -3.740 -0.818 -1.811
13 HB2 PHE 6 1HB PHE 6 -4.166 -0.383 0.525
14 HB3 PHE 6 2HB PHE 6 -4.055 -2.090 0.271
15 HD1 PHE 6 1HD PHE 6 -2.643 0.772 2.091
16 HD2 PHE 6 2HD PHE 6 -2.004 -3.369 1.143
17 HE1 PHE 6 1HE PHE 6 -1.013 0.594 3.934
18 HE2 PHE 6 2HE PHE 6 -0.365 -3.533 2.970
19 HZ PHE 6 HZ PHE 6 0.134 -1.551 4.371
20 HA E9M 7 HA NMW 7 -2.419 3.774 -1.891
21 HD1 E9M 7 HD NMW 7 -1.159 5.915 -1.191
22 HB3 E9M 7 2HB NMW 7 -1.232 2.513 0.627
23 HB2 E9M 7 1HB NMW 7 -2.840 3.129 0.510
24 HE3 E9M 7 3HE NMW 7 -1.486 3.182 3.104
25 HE1 E9M 7 1HE NMW 7 -0.433 7.853 0.464
26 HZ3 E9M 7 3HZ NMW 7 -0.827 4.232 5.247
27 HZ2 E9M 7 2HZ NMW 7 0.132 7.916 3.254
28 HH2 E9M 7 HH NMW 7 -0.028 6.559 5.323
29 HN3 E9M 7 3H NMW 7 -3.987 1.075 -3.158
30 HN1 E9M 7 1H NMW 7 -4.725 1.375 -1.553
31 HN2 E9M 7 2H NMW 7 -4.222 2.728 -2.580
32 H LYS 8 H LYS 8 0.485 3.341 -0.523
33 HA LYS 8 HA LYS 8 2.018 3.021 -3.153
34 HB2 LYS 8 1HB LYS 8 3.857 4.109 -2.030
35 HB3 LYS 8 2HB LYS 8 2.428 5.099 -1.880
36 HG2 LYS 8 1HG LYS 8 2.161 4.210 0.562
37 HG3 LYS 8 2HG LYS 8 3.622 3.287 0.328
38 HD2 LYS 8 1HD LYS 8 4.347 5.165 1.513
39 HD3 LYS 8 2HD LYS 8 4.889 5.492 -0.130
40 HE2 LYS 8 1HE LYS 8 2.818 7.002 -0.472
41 HE3 LYS 8 2HE LYS 8 2.291 6.628 1.169
42 HZ1 LYS 8 1HZ LYS 8 3.624 8.739 1.127
43 HZ2 LYS 8 2HZ LYS 8 4.423 7.612 2.020
44 HZ3 LYS 8 3HZ LYS 8 4.927 7.954 0.499
45 H TYR 9 H TYR 9 0.951 0.856 -0.883
46 HA TYR 9 HA TYR 9 3.632 -0.568 -0.480
47 HB2 TYR 9 1HB TYR 9 0.964 -0.663 1.072
48 HB3 TYR 9 2HB TYR 9 2.370 -1.600 1.466
49 HD1 TYR 9 1HD TYR 9 0.751 1.601 1.948
50 HD2 TYR 9 2HD TYR 9 4.581 -0.345 2.130
51 HE1 TYR 9 1HE TYR 9 1.639 3.443 3.337
52 HE2 TYR 9 2HE TYR 9 5.447 1.499 3.506
53 HH TYR 9 HH TYR 9 4.936 3.384 4.601
54 H CYS 10 H CYS 10 3.897 -2.556 -1.336
55 HA CYS 10 HA CYS 10 1.476 -4.226 -2.144
56 HB2 CYS 10 1HB CYS 10 2.325 -2.816 -4.112
57 HB3 CYS 10 2HB CYS 10 3.770 -3.835 -4.125
58 H VAL 11 H VAL 11 1.856 -5.437 -0.293
59 HA VAL 11 HA VAL 11 3.422 -7.845 -0.922
60 HB VAL 11 HB VAL 11 5.237 -6.575 0.137
61 HG11 VAL 11 1HG1 VAL 11 5.337 -6.006 2.552
62 HG12 VAL 11 2HG1 VAL 11 4.007 -5.117 1.777
63 HG13 VAL 11 3HG1 VAL 11 3.652 -6.536 2.783
64 HG21 VAL 11 1HG2 VAL 11 6.005 -8.313 1.744
65 HG22 VAL 11 2HG2 VAL 11 4.344 -8.943 1.891
66 HG23 VAL 11 3HG2 VAL 11 5.212 -9.065 0.343
Start of MODEL 2
1 H1 ASP 4 1H ASP 4 -1.528 -8.900 1.597
2 H2 ASP 4 2H ASP 4 -0.168 -8.439 0.631
3 H3 ASP 4 3H ASP 4 -0.640 -7.500 1.818
4 HA ASP 4 HA ASP 4 -2.243 -8.080 -0.624
5 HB2 ASP 4 1HB ASP 4 -3.172 -6.655 1.968
6 HB3 ASP 4 2HB ASP 4 -4.068 -6.651 0.461
7 H CYS 5 H CYS 5 -2.616 -6.256 -1.982
8 HA CYS 5 HA CYS 5 -0.572 -4.041 -1.656
9 HB2 CYS 5 1HB CYS 5 -2.018 -5.042 -4.171
10 HB3 CYS 5 2HB CYS 5 -0.843 -3.716 -4.099
11 H PHE 6 H PHE 6 -1.030 -2.018 -1.486
12 HA PHE 6 HA PHE 6 -3.747 -0.822 -1.809
13 HB2 PHE 6 1HB PHE 6 -2.572 -1.231 0.982
14 HB3 PHE 6 2HB PHE 6 -3.959 -0.247 0.659
15 HD1 PHE 6 1HD PHE 6 -3.133 -3.250 2.081
16 HD2 PHE 6 2HD PHE 6 -5.793 -1.795 -0.962
17 HE1 PHE 6 1HE PHE 6 -4.581 -5.222 2.394
18 HE2 PHE 6 2HE PHE 6 -7.223 -3.773 -0.656
19 HZ PHE 6 HZ PHE 6 -6.621 -5.491 1.024
20 HA E9M 7 HA NMW 7 -2.410 3.767 -1.949
21 HD1 E9M 7 HD NMW 7 -1.192 5.934 -1.230
22 HB3 E9M 7 2HB NMW 7 -1.303 2.517 0.608
23 HB2 E9M 7 1HB NMW 7 -2.885 3.188 0.446
24 HE3 E9M 7 3HE NMW 7 -1.397 3.167 3.052
25 HE1 E9M 7 1HE NMW 7 -0.218 7.798 0.381
26 HZ3 E9M 7 3HZ NMW 7 -0.575 4.165 5.164
27 HZ2 E9M 7 2HZ NMW 7 0.434 7.826 3.149
28 HH2 E9M 7 HH NMW 7 0.331 6.454 5.214
29 HN3 E9M 7 3H NMW 7 -4.728 1.376 -1.581
30 HN1 E9M 7 1H NMW 7 -4.222 2.717 -2.620
31 HN2 E9M 7 2H NMW 7 -3.989 1.058 -3.181
32 H LYS 8 H LYS 8 0.457 3.387 -0.530
33 HA LYS 8 HA LYS 8 2.049 3.011 -3.116
34 HB2 LYS 8 1HB LYS 8 3.844 4.169 -1.969
35 HB3 LYS 8 2HB LYS 8 2.390 5.133 -1.912
36 HG2 LYS 8 1HG LYS 8 2.031 4.354 0.529
37 HG3 LYS 8 2HG LYS 8 3.546 3.465 0.430
38 HD2 LYS 8 1HD LYS 8 4.775 5.644 -0.045
39 HD3 LYS 8 2HD LYS 8 3.239 6.519 0.040
40 HE2 LYS 8 1HE LYS 8 2.919 5.707 2.457
41 HE3 LYS 8 2HE LYS 8 4.460 4.857 2.369
42 HZ1 LYS 8 1HZ LYS 8 5.576 7.049 1.915
43 HZ2 LYS 8 2HZ LYS 8 4.144 7.841 1.997
44 HZ3 LYS 8 3HZ LYS 8 4.763 7.126 3.343
45 H TYR 9 H TYR 9 0.944 0.851 -0.925
46 HA TYR 9 HA TYR 9 3.611 -0.592 -0.469
47 HB2 TYR 9 1HB TYR 9 0.896 -0.670 1.008
48 HB3 TYR 9 2HB TYR 9 2.240 -1.693 1.392
49 HD1 TYR 9 1HD TYR 9 0.848 1.661 1.821
50 HD2 TYR 9 2HD TYR 9 4.416 -0.685 2.322
51 HE1 TYR 9 1HE TYR 9 1.787 3.383 3.323
52 HE2 TYR 9 2HE TYR 9 5.333 1.036 3.817
53 HH TYR 9 HH TYR 9 4.872 2.921 4.961
54 H CYS 10 H CYS 10 3.878 -2.596 -1.300
55 HA CYS 10 HA CYS 10 1.474 -4.243 -2.153
56 HB2 CYS 10 1HB CYS 10 2.313 -2.844 -4.138
57 HB3 CYS 10 2HB CYS 10 3.753 -3.871 -4.154
58 H VAL 11 H VAL 11 1.877 -5.425 -0.285
59 HA VAL 11 HA VAL 11 3.436 -7.842 -0.897
60 HB VAL 11 HB VAL 11 5.265 -6.554 0.115
61 HG11 VAL 11 1HG1 VAL 11 3.718 -6.472 2.782
62 HG12 VAL 11 2HG1 VAL 11 5.401 -5.946 2.519
63 HG13 VAL 11 3HG1 VAL 11 4.059 -5.070 1.749
64 HG21 VAL 11 1HG2 VAL 11 6.057 -8.265 1.740
65 HG22 VAL 11 2HG2 VAL 11 4.399 -8.893 1.921
66 HG23 VAL 11 3HG2 VAL 11 5.245 -9.040 0.363
Start of MODEL 3
1 H1 ASP 4 1H ASP 4 -1.545 -8.364 2.104
2 H2 ASP 4 2H ASP 4 -0.824 -8.636 0.595
3 H3 ASP 4 3H ASP 4 -0.181 -7.530 1.552
4 HA ASP 4 HA ASP 4 -2.830 -7.439 0.136
5 HB2 ASP 4 1HB ASP 4 -2.139 -5.784 2.653
6 HB3 ASP 4 2HB ASP 4 -3.525 -5.505 1.617
7 H CYS 5 H CYS 5 -2.733 -6.090 -1.606
8 HA CYS 5 HA CYS 5 -0.538 -4.001 -1.750
9 HB2 CYS 5 1HB CYS 5 -2.150 -5.258 -4.018
10 HB3 CYS 5 2HB CYS 5 -0.984 -3.930 -4.181
11 H PHE 6 H PHE 6 -0.945 -1.997 -1.658
12 HA PHE 6 HA PHE 6 -3.743 -0.834 -1.474
13 HB2 PHE 6 1HB PHE 6 -3.556 -2.229 0.573
14 HB3 PHE 6 2HB PHE 6 -2.061 -1.459 1.027
15 HD1 PHE 6 1HD PHE 6 -2.123 0.559 2.364
16 HD2 PHE 6 2HD PHE 6 -5.729 -0.771 0.445
17 HE1 PHE 6 1HE PHE 6 -3.409 2.284 3.575
18 HE2 PHE 6 2HE PHE 6 -7.003 0.965 1.652
19 HZ PHE 6 HZ PHE 6 -5.844 2.495 3.211
20 HA E9M 7 HA NMW 7 -2.479 3.584 -2.410
21 HD1 E9M 7 HD NMW 7 -2.413 5.999 -1.816
22 HB3 E9M 7 2HB NMW 7 -1.718 2.795 0.432
23 HB2 E9M 7 1HB NMW 7 -3.311 3.174 -0.087
24 HE3 E9M 7 3HE NMW 7 -1.538 3.654 2.608
25 HE1 E9M 7 1HE NMW 7 -1.984 8.193 -0.394
26 HZ3 E9M 7 3HZ NMW 7 -1.129 5.021 4.646
27 HZ2 E9M 7 2HZ NMW 7 -1.378 8.648 2.348
28 HH2 E9M 7 HH NMW 7 -1.052 7.482 4.514
29 HN3 E9M 7 3H NMW 7 -3.491 0.382 -3.438
30 HN1 E9M 7 1H NMW 7 -4.549 1.292 -2.313
31 HN2 E9M 7 2H NMW 7 -3.655 2.130 -3.605
32 H LYS 8 H LYS 8 0.182 3.052 -0.367
33 HA LYS 8 HA LYS 8 2.177 3.482 -2.662
34 HB2 LYS 8 1HB LYS 8 2.502 3.702 0.407
35 HB3 LYS 8 2HB LYS 8 3.787 3.922 -0.748
36 HG2 LYS 8 1HG LYS 8 2.628 5.877 -1.790
37 HG3 LYS 8 2HG LYS 8 1.291 5.747 -0.675
38 HD2 LYS 8 1HD LYS 8 4.103 5.956 0.572
39 HD3 LYS 8 2HD LYS 8 3.537 7.336 -0.319
40 HE2 LYS 8 1HE LYS 8 2.992 7.728 2.003
41 HE3 LYS 8 2HE LYS 8 1.495 7.567 1.093
42 HZ1 LYS 8 1HZ LYS 8 2.715 5.343 2.780
43 HZ2 LYS 8 2HZ LYS 8 1.363 6.208 3.151
44 HZ3 LYS 8 3HZ LYS 8 1.371 5.195 1.867
45 H TYR 9 H TYR 9 0.888 0.837 -0.966
46 HA TYR 9 HA TYR 9 3.566 -0.590 -0.636
47 HB2 TYR 9 1HB TYR 9 0.880 -0.929 0.848
48 HB3 TYR 9 2HB TYR 9 2.387 -1.681 1.272
49 HD1 TYR 9 1HD TYR 9 0.281 1.091 1.969
50 HD2 TYR 9 2HD TYR 9 4.446 0.039 1.790
51 HE1 TYR 9 1HE TYR 9 0.847 3.064 3.330
52 HE2 TYR 9 2HE TYR 9 5.003 2.032 3.112
53 HH TYR 9 HH TYR 9 4.124 3.685 4.417
54 H CYS 10 H CYS 10 3.849 -2.684 -1.325
55 HA CYS 10 HA CYS 10 1.456 -4.336 -2.137
56 HB2 CYS 10 1HB CYS 10 2.309 -3.063 -4.212
57 HB3 CYS 10 2HB CYS 10 3.713 -4.135 -4.175
58 H VAL 11 H VAL 11 1.874 -5.333 -0.161
59 HA VAL 11 HA VAL 11 3.584 -7.755 -0.512
60 HB VAL 11 HB VAL 11 4.388 -7.711 1.882
61 HG11 VAL 11 1HG1 VAL 11 5.768 -5.650 0.058
62 HG12 VAL 11 2HG1 VAL 11 6.519 -6.535 1.410
63 HG13 VAL 11 3HG1 VAL 11 5.971 -7.411 -0.035
64 HG21 VAL 11 1HG2 VAL 11 4.874 -5.579 3.069
65 HG22 VAL 11 2HG2 VAL 11 4.032 -4.646 1.802
66 HG23 VAL 11 3HG2 VAL 11 3.124 -5.768 2.839
Start of MODEL 4
1 H1 ASP 4 1H ASP 4 -0.521 -8.085 1.009
2 H2 ASP 4 2H ASP 4 -0.781 -7.024 2.124
3 H3 ASP 4 3H ASP 4 -1.817 -8.336 2.135
4 HA ASP 4 HA ASP 4 -2.717 -7.642 -0.063
5 HB2 ASP 4 1HB ASP 4 -3.138 -5.854 2.433
6 HB3 ASP 4 2HB ASP 4 -4.199 -5.868 1.038
7 H CYS 5 H CYS 5 -2.532 -6.268 -1.800
8 HA CYS 5 HA CYS 5 -0.540 -4.032 -1.679
9 HB2 CYS 5 1HB CYS 5 -2.075 -5.179 -4.070
10 HB3 CYS 5 2HB CYS 5 -0.882 -3.868 -4.135
11 H PHE 6 H PHE 6 -0.933 -1.997 -1.651
12 HA PHE 6 HA PHE 6 -3.740 -0.851 -1.437
13 HB2 PHE 6 1HB PHE 6 -3.506 -2.268 0.595
14 HB3 PHE 6 2HB PHE 6 -2.015 -1.484 1.035
15 HD1 PHE 6 1HD PHE 6 -2.064 0.589 2.307
16 HD2 PHE 6 2HD PHE 6 -5.710 -0.897 0.588
17 HE1 PHE 6 1HE PHE 6 -3.348 2.302 3.538
18 HE2 PHE 6 2HE PHE 6 -6.982 0.819 1.821
19 HZ PHE 6 HZ PHE 6 -5.805 2.423 3.289
20 HA E9M 7 HA NMW 7 -2.454 3.564 -2.423
21 HD1 E9M 7 HD NMW 7 -2.448 5.990 -1.824
22 HB3 E9M 7 2HB NMW 7 -1.721 2.792 0.431
23 HB2 E9M 7 1HB NMW 7 -3.303 3.203 -0.098
24 HE3 E9M 7 3HE NMW 7 -1.372 3.666 2.577
25 HE1 E9M 7 1HE NMW 7 -1.844 8.185 -0.464
26 HZ3 E9M 7 3HZ NMW 7 -0.723 5.038 4.540
27 HZ2 E9M 7 2HZ NMW 7 -1.022 8.646 2.217
28 HH2 E9M 7 HH NMW 7 -0.560 7.492 4.366
29 HN3 E9M 7 3H NMW 7 -4.558 1.275 -2.259
30 HN1 E9M 7 1H NMW 7 -3.690 2.120 -3.562
31 HN2 E9M 7 2H NMW 7 -3.515 0.373 -3.405
32 H LYS 8 H LYS 8 0.195 3.225 -0.374
33 HA LYS 8 HA LYS 8 2.208 3.516 -2.650
34 HB2 LYS 8 1HB LYS 8 2.536 3.585 0.419
35 HB3 LYS 8 2HB LYS 8 3.818 3.882 -0.726
36 HG2 LYS 8 1HG LYS 8 2.672 5.920 -1.612
37 HG3 LYS 8 2HG LYS 8 1.318 5.691 -0.527
38 HD2 LYS 8 1HD LYS 8 4.240 6.166 0.382
39 HD3 LYS 8 2HD LYS 8 3.013 7.418 0.220
40 HE2 LYS 8 1HE LYS 8 1.551 6.203 1.952
41 HE3 LYS 8 2HE LYS 8 2.823 5.008 2.171
42 HZ1 LYS 8 1HZ LYS 8 4.365 6.865 2.833
43 HZ2 LYS 8 2HZ LYS 8 3.155 7.962 2.689
44 HZ3 LYS 8 3HZ LYS 8 3.073 6.791 3.845
45 H TYR 9 H TYR 9 0.891 0.870 -0.910
46 HA TYR 9 HA TYR 9 3.560 -0.577 -0.608
47 HB2 TYR 9 1HB TYR 9 0.847 -0.923 0.833
48 HB3 TYR 9 2HB TYR 9 2.320 -1.743 1.241
49 HD1 TYR 9 1HD TYR 9 0.353 1.216 1.849
50 HD2 TYR 9 2HD TYR 9 4.383 -0.272 2.033
51 HE1 TYR 9 1HE TYR 9 0.982 3.069 3.351
52 HE2 TYR 9 2HE TYR 9 4.998 1.589 3.516
53 HH TYR 9 HH TYR 9 4.191 3.278 4.778
54 H CYS 10 H CYS 10 3.853 -2.656 -1.346
55 HA CYS 10 HA CYS 10 1.445 -4.272 -2.215
56 HB2 CYS 10 1HB CYS 10 2.455 -3.074 -4.264
57 HB3 CYS 10 2HB CYS 10 3.797 -4.219 -4.139
58 H VAL 11 H VAL 11 1.840 -5.094 -0.097
59 HA VAL 11 HA VAL 11 3.299 -7.697 -0.320
60 HB VAL 11 HB VAL 11 4.162 -7.550 2.056
61 HG11 VAL 11 1HG1 VAL 11 6.376 -6.620 1.458
62 HG12 VAL 11 2HG1 VAL 11 5.715 -7.544 0.093
63 HG13 VAL 11 3HG1 VAL 11 5.678 -5.768 0.057
64 HG21 VAL 11 1HG2 VAL 11 4.865 -5.387 3.065
65 HG22 VAL 11 2HG2 VAL 11 4.083 -4.481 1.744
66 HG23 VAL 11 3HG2 VAL 11 3.101 -5.430 2.879
Start of MODEL 5
1 H1 ASP 4 1H ASP 4 -0.667 -8.652 0.464
2 H2 ASP 4 2H ASP 4 0.010 -7.561 1.423
3 H3 ASP 4 3H ASP 4 -1.347 -8.391 1.993
4 HA ASP 4 HA ASP 4 -2.684 -7.437 0.086
5 HB2 ASP 4 1HB ASP 4 -1.885 -5.807 2.588
6 HB3 ASP 4 2HB ASP 4 -3.304 -5.505 1.605
7 H CYS 5 H CYS 5 -2.685 -6.044 -1.619
8 HA CYS 5 HA CYS 5 -0.516 -3.925 -1.816
9 HB2 CYS 5 1HB CYS 5 -2.160 -5.191 -4.058
10 HB3 CYS 5 2HB CYS 5 -1.026 -3.837 -4.233
11 H PHE 6 H PHE 6 -0.979 -1.935 -1.696
12 HA PHE 6 HA PHE 6 -3.792 -0.842 -1.416
13 HB2 PHE 6 1HB PHE 6 -3.550 -2.256 0.606
14 HB3 PHE 6 2HB PHE 6 -2.030 -1.516 1.022
15 HD1 PHE 6 1HD PHE 6 -1.983 0.545 2.313
16 HD2 PHE 6 2HD PHE 6 -5.720 -0.838 0.704
17 HE1 PHE 6 1HE PHE 6 -3.185 2.266 3.612
18 HE2 PHE 6 2HE PHE 6 -6.910 0.889 2.005
19 HZ PHE 6 HZ PHE 6 -5.644 2.445 3.453
20 HA E9M 7 HA NMW 7 -2.449 3.646 -2.266
21 HD1 E9M 7 HD NMW 7 -1.824 6.012 -1.727
22 HB3 E9M 7 2HB NMW 7 -1.474 2.758 0.484
23 HB2 E9M 7 1HB NMW 7 -3.059 3.334 0.140
24 HE3 E9M 7 3HE NMW 7 -1.153 3.601 2.714
25 HE1 E9M 7 1HE NMW 7 -0.822 8.083 -0.407
26 HZ3 E9M 7 3HZ NMW 7 -0.203 4.856 4.633
27 HZ2 E9M 7 2HZ NMW 7 0.123 8.420 2.250
28 HH2 E9M 7 HH NMW 7 0.425 7.227 4.404
29 HN3 E9M 7 3H NMW 7 -4.062 2.394 -3.082
30 HN1 E9M 7 1H NMW 7 -3.844 0.646 -3.208
31 HN2 E9M 7 2H NMW 7 -4.694 1.347 -1.794
32 H LYS 8 H LYS 8 0.379 3.413 -0.597
33 HA LYS 8 HA LYS 8 2.053 2.686 -3.064
34 HB2 LYS 8 1HB LYS 8 3.861 4.060 -2.075
35 HB3 LYS 8 2HB LYS 8 2.450 4.938 -2.583
36 HG2 LYS 8 1HG LYS 8 3.254 5.999 -0.627
37 HG3 LYS 8 2HG LYS 8 1.725 5.275 -0.195
38 HD2 LYS 8 1HD LYS 8 2.946 3.368 0.963
39 HD3 LYS 8 2HD LYS 8 4.492 4.039 0.446
40 HE2 LYS 8 1HE LYS 8 3.930 6.213 1.738
41 HE3 LYS 8 2HE LYS 8 2.433 5.463 2.300
42 HZ1 LYS 8 1HZ LYS 8 3.741 3.748 3.488
43 HZ2 LYS 8 2HZ LYS 8 5.147 4.230 2.797
44 HZ3 LYS 8 3HZ LYS 8 4.395 5.190 3.901
45 H TYR 9 H TYR 9 0.876 0.829 -0.939
46 HA TYR 9 HA TYR 9 3.477 -0.684 -0.334
47 HB2 TYR 9 1HB TYR 9 0.605 -0.942 0.800
48 HB3 TYR 9 2HB TYR 9 1.915 -1.993 1.213
49 HD1 TYR 9 1HD TYR 9 0.435 1.295 1.842
50 HD2 TYR 9 2HD TYR 9 3.920 -1.127 2.535
51 HE1 TYR 9 1HE TYR 9 1.135 2.800 3.668
52 HE2 TYR 9 2HE TYR 9 4.610 0.388 4.342
53 HH TYR 9 HH TYR 9 3.810 2.074 5.753
54 H CYS 10 H CYS 10 3.793 -2.687 -1.208
55 HA CYS 10 HA CYS 10 1.473 -4.295 -2.190
56 HB2 CYS 10 1HB CYS 10 2.280 -2.906 -4.216
57 HB3 CYS 10 2HB CYS 10 3.699 -3.957 -4.249
58 H VAL 11 H VAL 11 1.953 -5.355 -0.261
59 HA VAL 11 HA VAL 11 3.715 -7.717 -0.705
60 HB VAL 11 HB VAL 11 4.595 -7.700 1.664
61 HG11 VAL 11 1HG1 VAL 11 6.684 -6.470 1.148
62 HG12 VAL 11 2HG1 VAL 11 6.110 -7.330 -0.296
63 HG13 VAL 11 3HG1 VAL 11 5.873 -5.574 -0.161
64 HG21 VAL 11 1HG2 VAL 11 5.072 -5.580 2.876
65 HG22 VAL 11 2HG2 VAL 11 4.170 -4.643 1.655
66 HG23 VAL 11 3HG2 VAL 11 3.321 -5.804 2.698
Start of MODEL 6
1 H1 ASP 4 1H ASP 4 -1.466 -7.825 2.571
2 H2 ASP 4 2H ASP 4 -0.044 -7.699 1.603
3 H3 ASP 4 3H ASP 4 -0.606 -6.406 2.498
4 HA ASP 4 HA ASP 4 -2.026 -7.663 0.207
5 HB2 ASP 4 1HB ASP 4 -3.012 -5.532 2.243
6 HB3 ASP 4 2HB ASP 4 -3.868 -5.969 0.779
7 H CYS 5 H CYS 5 -2.434 -6.219 -1.580
8 HA CYS 5 HA CYS 5 -0.504 -3.920 -1.823
9 HB2 CYS 5 1HB CYS 5 -2.173 -5.296 -3.974
10 HB3 CYS 5 2HB CYS 5 -1.056 -3.938 -4.228
11 H PHE 6 H PHE 6 -0.996 -1.954 -1.674
12 HA PHE 6 HA PHE 6 -3.797 -0.844 -1.590
13 HB2 PHE 6 1HB PHE 6 -3.686 -2.245 0.488
14 HB3 PHE 6 2HB PHE 6 -2.257 -1.406 1.025
15 HD1 PHE 6 1HD PHE 6 -5.922 -0.968 0.287
16 HD2 PHE 6 2HD PHE 6 -2.476 0.707 2.233
17 HE1 PHE 6 1HE PHE 6 -7.353 0.713 1.391
18 HE2 PHE 6 2HE PHE 6 -3.920 2.380 3.336
19 HZ PHE 6 HZ PHE 6 -6.354 2.388 2.910
20 HA E9M 7 HA NMW 7 -2.432 3.668 -2.243
21 HD1 E9M 7 HD NMW 7 -1.355 5.916 -1.697
22 HB3 E9M 7 2HB NMW 7 -1.512 2.730 0.510
23 HB2 E9M 7 1HB NMW 7 -3.097 3.295 0.140
24 HE3 E9M 7 3HE NMW 7 -1.820 3.659 2.851
25 HE1 E9M 7 1HE NMW 7 -0.547 7.983 -0.250
26 HZ3 E9M 7 3HZ NMW 7 -1.157 4.908 4.885
27 HZ2 E9M 7 2HZ NMW 7 -0.110 8.351 2.533
28 HH2 E9M 7 HH NMW 7 -0.310 7.217 4.730
29 HN3 E9M 7 3H NMW 7 -3.800 0.711 -3.310
30 HN1 E9M 7 1H NMW 7 -4.695 1.351 -1.896
31 HN2 E9M 7 2H NMW 7 -4.032 2.450 -3.122
32 H LYS 8 H LYS 8 0.327 3.380 -0.504
33 HA LYS 8 HA LYS 8 2.119 3.038 -2.963
34 HB2 LYS 8 1HB LYS 8 3.794 4.260 -1.694
35 HB3 LYS 8 2HB LYS 8 2.323 5.187 -1.843
36 HG2 LYS 8 1HG LYS 8 1.727 4.630 0.579
37 HG3 LYS 8 2HG LYS 8 3.201 3.678 0.719
38 HD2 LYS 8 1HD LYS 8 4.584 5.776 0.223
39 HD3 LYS 8 2HD LYS 8 3.105 6.679 -0.020
40 HE2 LYS 8 1HE LYS 8 3.844 7.293 2.157
41 HE3 LYS 8 2HE LYS 8 2.419 6.293 2.406
42 HZ1 LYS 8 1HZ LYS 8 5.107 4.961 2.420
43 HZ2 LYS 8 2HZ LYS 8 4.641 5.777 3.772
44 HZ3 LYS 8 3HZ LYS 8 3.754 4.510 3.243
45 H TYR 9 H TYR 9 0.902 0.834 -1.029
46 HA TYR 9 HA TYR 9 3.524 -0.642 -0.470
47 HB2 TYR 9 1HB TYR 9 0.720 -0.982 0.772
48 HB3 TYR 9 2HB TYR 9 2.179 -1.762 1.297
49 HD1 TYR 9 1HD TYR 9 4.213 0.004 1.969
50 HD2 TYR 9 2HD TYR 9 0.007 0.896 2.021
51 HE1 TYR 9 1HE TYR 9 4.621 1.871 3.521
52 HE2 TYR 9 2HE TYR 9 0.425 2.736 3.593
53 HH TYR 9 HH TYR 9 1.994 3.599 5.037
54 H CYS 10 H CYS 10 3.813 -2.710 -1.245
55 HA CYS 10 HA CYS 10 1.450 -4.306 -2.180
56 HB2 CYS 10 1HB CYS 10 2.265 -2.958 -4.205
57 HB3 CYS 10 2HB CYS 10 3.684 -4.012 -4.224
58 H VAL 11 H VAL 11 1.765 -5.521 -0.400
59 HA VAL 11 HA VAL 11 3.437 -7.902 -1.028
60 HB VAL 11 HB VAL 11 3.563 -6.813 1.850
61 HG11 VAL 11 1HG1 VAL 11 5.166 -8.702 2.280
62 HG12 VAL 11 2HG1 VAL 11 3.611 -9.325 1.714
63 HG13 VAL 11 3HG1 VAL 11 4.987 -9.263 0.594
64 HG21 VAL 11 1HG2 VAL 11 5.895 -6.898 -0.181
65 HG22 VAL 11 2HG2 VAL 11 5.150 -5.438 0.501
66 HG23 VAL 11 3HG2 VAL 11 6.057 -6.528 1.560
Start of MODEL 7
1 H1 ASP 4 1H ASP 4 -0.060 -7.543 1.512
2 H2 ASP 4 2H ASP 4 -1.416 -8.370 2.089
3 H3 ASP 4 3H ASP 4 -0.732 -8.645 0.565
4 HA ASP 4 HA ASP 4 -2.747 -7.438 0.163
5 HB2 ASP 4 1HB ASP 4 -1.971 -5.783 2.656
6 HB3 ASP 4 2HB ASP 4 -3.385 -5.496 1.660
7 H CYS 5 H CYS 5 -2.722 -6.070 -1.566
8 HA CYS 5 HA CYS 5 -0.535 -3.974 -1.771
9 HB2 CYS 5 1HB CYS 5 -2.184 -5.249 -4.004
10 HB3 CYS 5 2HB CYS 5 -1.039 -3.905 -4.193
11 H PHE 6 H PHE 6 -0.960 -1.977 -1.678
12 HA PHE 6 HA PHE 6 -3.762 -0.836 -1.405
13 HB2 PHE 6 1HB PHE 6 -3.522 -2.230 0.630
14 HB3 PHE 6 2HB PHE 6 -2.000 -1.486 1.034
15 HD1 PHE 6 1HD PHE 6 -1.962 0.563 2.334
16 HD2 PHE 6 2HD PHE 6 -5.682 -0.773 0.649
17 HE1 PHE 6 1HE PHE 6 -3.168 2.307 3.599
18 HE2 PHE 6 2HE PHE 6 -6.875 0.978 1.914
19 HZ PHE 6 HZ PHE 6 -5.620 2.521 3.382
20 HA E9M 7 HA NMW 7 -2.429 3.555 -2.483
21 HD1 E9M 7 HD NMW 7 -2.353 6.009 -1.902
22 HB3 E9M 7 2HB NMW 7 -1.762 2.811 0.395
23 HB2 E9M 7 1HB NMW 7 -3.312 3.282 -0.174
24 HE3 E9M 7 3HE NMW 7 -1.317 3.690 2.515
25 HE1 E9M 7 1HE NMW 7 -1.577 8.183 -0.594
26 HZ3 E9M 7 3HZ NMW 7 -0.505 5.046 4.427
27 HZ2 E9M 7 2HZ NMW 7 -0.632 8.627 2.050
28 HH2 E9M 7 HH NMW 7 -0.171 7.477 4.199
29 HN3 E9M 7 3H NMW 7 -3.705 2.110 -3.577
30 HN1 E9M 7 1H NMW 7 -3.539 0.364 -3.400
31 HN2 E9M 7 2H NMW 7 -4.569 1.284 -2.259
32 H LYS 8 H LYS 8 0.194 3.268 -0.411
33 HA LYS 8 HA LYS 8 2.229 3.447 -2.679
34 HB2 LYS 8 1HB LYS 8 2.534 3.655 0.381
35 HB3 LYS 8 2HB LYS 8 3.822 3.917 -0.782
36 HG2 LYS 8 1HG LYS 8 2.589 5.899 -1.751
37 HG3 LYS 8 2HG LYS 8 1.309 5.698 -0.578
38 HD2 LYS 8 1HD LYS 8 4.249 6.456 0.032
39 HD3 LYS 8 2HD LYS 8 2.854 7.495 0.046
40 HE2 LYS 8 1HE LYS 8 2.940 7.160 2.334
41 HE3 LYS 8 2HE LYS 8 1.859 5.840 1.920
42 HZ1 LYS 8 1HZ LYS 8 4.809 5.658 2.518
43 HZ2 LYS 8 2HZ LYS 8 3.593 4.772 3.208
44 HZ3 LYS 8 3HZ LYS 8 4.074 4.462 1.680
45 H TYR 9 H TYR 9 0.873 0.864 -0.905
46 HA TYR 9 HA TYR 9 3.520 -0.616 -0.529
47 HB2 TYR 9 1HB TYR 9 0.756 -0.915 0.830
48 HB3 TYR 9 2HB TYR 9 2.178 -1.815 1.246
49 HD1 TYR 9 1HD TYR 9 0.416 1.342 1.731
50 HD2 TYR 9 2HD TYR 9 4.214 -0.595 2.289
51 HE1 TYR 9 1HE TYR 9 1.107 3.123 3.291
52 HE2 TYR 9 2HE TYR 9 4.890 1.189 3.841
53 HH TYR 9 HH TYR 9 4.024 2.929 5.150
54 H CYS 10 H CYS 10 3.813 -2.678 -1.291
55 HA CYS 10 HA CYS 10 1.452 -4.321 -2.158
56 HB2 CYS 10 1HB CYS 10 2.258 -2.994 -4.223
57 HB3 CYS 10 2HB CYS 10 3.674 -4.052 -4.230
58 H VAL 11 H VAL 11 1.918 -5.346 -0.209
59 HA VAL 11 HA VAL 11 3.657 -7.733 -0.615
60 HB VAL 11 HB VAL 11 4.520 -7.699 1.758
61 HG11 VAL 11 1HG1 VAL 11 6.623 -6.494 1.244
62 HG12 VAL 11 2HG1 VAL 11 6.051 -7.365 -0.193
63 HG13 VAL 11 3HG1 VAL 11 5.830 -5.606 -0.082
64 HG21 VAL 11 1HG2 VAL 11 5.009 -5.569 2.950
65 HG22 VAL 11 2HG2 VAL 11 4.124 -4.638 1.713
66 HG23 VAL 11 3HG2 VAL 11 3.256 -5.778 2.762
Start of MODEL 8
1 H1 ASP 4 1H ASP 4 -0.726 -8.944 -0.194
2 H2 ASP 4 2H ASP 4 -0.051 -8.047 0.963
3 H3 ASP 4 3H ASP 4 -1.394 -8.976 1.364
4 HA ASP 4 HA ASP 4 -2.778 -7.695 -0.274
5 HB2 ASP 4 1HB ASP 4 -1.834 -6.539 2.432
6 HB3 ASP 4 2HB ASP 4 -3.280 -6.025 1.580
7 H CYS 5 H CYS 5 -2.795 -6.085 -1.775
8 HA CYS 5 HA CYS 5 -0.569 -4.009 -1.746
9 HB2 CYS 5 1HB CYS 5 -2.041 -5.207 -4.147
10 HB3 CYS 5 2HB CYS 5 -0.883 -3.862 -4.200
11 H PHE 6 H PHE 6 -1.022 -2.027 -1.546
12 HA PHE 6 HA PHE 6 -3.744 -0.806 -1.833
13 HB2 PHE 6 1HB PHE 6 -4.112 -0.436 0.534
14 HB3 PHE 6 2HB PHE 6 -4.030 -2.134 0.209
15 HD1 PHE 6 1HD PHE 6 -1.963 -3.473 0.972
16 HD2 PHE 6 2HD PHE 6 -2.550 0.628 2.123
17 HE1 PHE 6 1HE PHE 6 -0.309 -3.738 2.768
18 HE2 PHE 6 2HE PHE 6 -0.904 0.345 3.936
19 HZ PHE 6 HZ PHE 6 0.224 -1.832 4.258
20 HA E9M 7 HA NMW 7 -2.447 3.794 -1.793
21 HD1 E9M 7 HD NMW 7 -1.099 5.902 -1.060
22 HB3 E9M 7 2HB NMW 7 -1.213 2.469 0.667
23 HB2 E9M 7 1HB NMW 7 -2.826 3.076 0.594
24 HE3 E9M 7 3HE NMW 7 -1.579 3.105 3.182
25 HE1 E9M 7 1HE NMW 7 -0.242 7.758 0.629
26 HZ3 E9M 7 3HZ NMW 7 -0.942 4.103 5.356
27 HZ2 E9M 7 2HZ NMW 7 0.200 7.776 3.436
28 HH2 E9M 7 HH NMW 7 -0.059 6.400 5.483
29 HN3 E9M 7 3H NMW 7 -4.259 2.762 -2.475
30 HN1 E9M 7 1H NMW 7 -4.023 1.132 -3.114
31 HN2 E9M 7 2H NMW 7 -4.737 1.371 -1.489
32 H LYS 8 H LYS 8 0.503 3.299 -0.488
33 HA LYS 8 HA LYS 8 1.940 2.964 -3.178
34 HB2 LYS 8 1HB LYS 8 3.799 4.128 -2.204
35 HB3 LYS 8 2HB LYS 8 2.367 5.111 -2.033
36 HG2 LYS 8 1HG LYS 8 2.222 4.456 0.435
37 HG3 LYS 8 2HG LYS 8 3.639 3.428 0.243
38 HD2 LYS 8 1HD LYS 8 5.000 5.476 -0.464
39 HD3 LYS 8 2HD LYS 8 3.573 6.489 -0.206
40 HE2 LYS 8 1HE LYS 8 3.505 5.739 2.251
41 HE3 LYS 8 2HE LYS 8 4.933 4.740 1.981
42 HZ1 LYS 8 1HZ LYS 8 6.181 6.807 1.329
43 HZ2 LYS 8 2HZ LYS 8 4.860 7.740 1.593
44 HZ3 LYS 8 3HZ LYS 8 5.589 6.972 2.854
45 H TYR 9 H TYR 9 0.947 0.821 -0.961
46 HA TYR 9 HA TYR 9 3.642 -0.574 -0.539
47 HB2 TYR 9 1HB TYR 9 0.986 -0.667 1.032
48 HB3 TYR 9 2HB TYR 9 2.414 -1.564 1.439
49 HD1 TYR 9 1HD TYR 9 4.631 -0.184 1.982
50 HD2 TYR 9 2HD TYR 9 0.694 1.543 1.959
51 HE1 TYR 9 1HE TYR 9 5.430 1.682 3.385
52 HE2 TYR 9 2HE TYR 9 1.508 3.392 3.366
53 HH TYR 9 HH TYR 9 3.222 3.986 4.791
54 H CYS 10 H CYS 10 3.901 -2.599 -1.311
55 HA CYS 10 HA CYS 10 1.492 -4.313 -2.032
56 HB2 CYS 10 1HB CYS 10 2.208 -2.927 -4.065
57 HB3 CYS 10 2HB CYS 10 3.706 -3.865 -4.104
58 H VAL 11 H VAL 11 1.910 -5.572 -0.275
59 HA VAL 11 HA VAL 11 3.863 -7.779 -0.824
60 HB VAL 11 HB VAL 11 3.775 -6.481 1.971
61 HG11 VAL 11 1HG1 VAL 11 5.481 -8.209 2.641
62 HG12 VAL 11 2HG1 VAL 11 3.976 -8.977 2.109
63 HG13 VAL 11 3HG1 VAL 11 5.383 -8.955 1.023
64 HG21 VAL 11 1HG2 VAL 11 6.261 -6.065 1.716
65 HG22 VAL 11 2HG2 VAL 11 6.185 -6.636 0.026
66 HG23 VAL 11 3HG2 VAL 11 5.329 -5.159 0.514
Start of MODEL 9
1 H1 ASP 4 1H ASP 4 -2.046 -8.235 2.123
2 H2 ASP 4 2H ASP 4 -0.647 -7.948 1.142
3 H3 ASP 4 3H ASP 4 -1.124 -6.841 2.185
4 HA ASP 4 HA ASP 4 -2.674 -7.698 -0.210
5 HB2 ASP 4 1HB ASP 4 -3.622 -5.894 2.126
6 HB3 ASP 4 2HB ASP 4 -4.469 -6.072 0.604
7 H CYS 5 H CYS 5 -2.432 -6.313 -1.947
8 HA CYS 5 HA CYS 5 -0.541 -4.028 -1.691
9 HB2 CYS 5 1HB CYS 5 -1.967 -5.139 -4.169
10 HB3 CYS 5 2HB CYS 5 -0.766 -3.836 -4.161
11 H PHE 6 H PHE 6 -0.949 -1.988 -1.638
12 HA PHE 6 HA PHE 6 -3.761 -0.857 -1.603
13 HB2 PHE 6 1HB PHE 6 -3.610 -2.341 0.426
14 HB3 PHE 6 2HB PHE 6 -2.205 -1.485 0.989
15 HD1 PHE 6 1HD PHE 6 -5.883 -1.137 0.285
16 HD2 PHE 6 2HD PHE 6 -2.478 0.588 2.258
17 HE1 PHE 6 1HE PHE 6 -7.360 0.458 1.452
18 HE2 PHE 6 2HE PHE 6 -3.968 2.175 3.427
19 HZ PHE 6 HZ PHE 6 -6.405 2.117 3.018
20 HA E9M 7 HA NMW 7 -2.490 3.713 -2.007
21 HD1 E9M 7 HD NMW 7 -1.177 5.892 -1.405
22 HB3 E9M 7 2HB NMW 7 -1.359 2.643 0.619
23 HB2 E9M 7 1HB NMW 7 -2.980 3.180 0.395
24 HE3 E9M 7 3HE NMW 7 -1.910 3.509 3.046
25 HE1 E9M 7 1HE NMW 7 -0.570 7.949 0.144
26 HZ3 E9M 7 3HZ NMW 7 -1.484 4.742 5.150
27 HZ2 E9M 7 2HZ NMW 7 -0.376 8.274 2.962
28 HH2 E9M 7 HH NMW 7 -0.732 7.088 5.111
29 HN3 E9M 7 3H NMW 7 -4.715 1.337 -1.665
30 HN1 E9M 7 1H NMW 7 -4.146 2.545 -2.833
31 HN2 E9M 7 2H NMW 7 -3.895 0.832 -3.177
32 H LYS 8 H LYS 8 0.388 3.276 -0.479
33 HA LYS 8 HA LYS 8 1.996 3.021 -3.079
34 HB2 LYS 8 1HB LYS 8 3.715 4.312 -1.993
35 HB3 LYS 8 2HB LYS 8 2.206 5.182 -1.916
36 HG2 LYS 8 1HG LYS 8 1.993 4.305 0.570
37 HG3 LYS 8 2HG LYS 8 3.638 3.709 0.401
38 HD2 LYS 8 1HD LYS 8 4.355 6.109 -0.245
39 HD3 LYS 8 2HD LYS 8 2.721 6.660 0.057
40 HE2 LYS 8 1HE LYS 8 4.645 5.406 2.153
41 HE3 LYS 8 2HE LYS 8 4.331 7.125 1.946
42 HZ1 LYS 8 1HZ LYS 8 2.712 6.676 3.565
43 HZ2 LYS 8 2HZ LYS 8 1.784 6.210 2.285
44 HZ3 LYS 8 3HZ LYS 8 2.590 5.086 3.189
45 H TYR 9 H TYR 9 0.934 0.827 -1.043
46 HA TYR 9 HA TYR 9 3.599 -0.583 -0.531
47 HB2 TYR 9 1HB TYR 9 0.842 -0.870 0.837
48 HB3 TYR 9 2HB TYR 9 2.308 -1.658 1.323
49 HD1 TYR 9 1HD TYR 9 0.279 1.269 1.777
50 HD2 TYR 9 2HD TYR 9 4.334 -0.120 2.118
51 HE1 TYR 9 1HE TYR 9 0.813 3.159 3.264
52 HE2 TYR 9 2HE TYR 9 4.854 1.777 3.593
53 HH TYR 9 HH TYR 9 3.886 3.402 4.898
54 H CYS 10 H CYS 10 3.891 -2.661 -1.270
55 HA CYS 10 HA CYS 10 1.480 -4.257 -2.195
56 HB2 CYS 10 1HB CYS 10 2.557 -3.060 -4.198
57 HB3 CYS 10 2HB CYS 10 3.894 -4.208 -4.039
58 H VAL 11 H VAL 11 1.752 -5.165 -0.115
59 HA VAL 11 HA VAL 11 2.983 -7.815 -0.446
60 HB VAL 11 HB VAL 11 4.948 -6.666 0.492
61 HG11 VAL 11 1HG1 VAL 11 5.108 -5.850 2.834
62 HG12 VAL 11 2HG1 VAL 11 3.909 -4.891 1.940
63 HG13 VAL 11 3HG1 VAL 11 3.367 -6.134 3.087
64 HG21 VAL 11 1HG2 VAL 11 5.482 -8.298 2.297
65 HG22 VAL 11 2HG2 VAL 11 3.754 -8.692 2.481
66 HG23 VAL 11 3HG2 VAL 11 4.606 -9.094 0.973
Start of MODEL 10
1 H1 ASP 4 1H ASP 4 -2.045 -8.235 2.122
2 H2 ASP 4 2H ASP 4 -0.646 -7.948 1.142
3 H3 ASP 4 3H ASP 4 -1.123 -6.841 2.185
4 HA ASP 4 HA ASP 4 -2.673 -7.699 -0.209
5 HB2 ASP 4 1HB ASP 4 -3.620 -5.895 2.127
6 HB3 ASP 4 2HB ASP 4 -4.468 -6.072 0.604
7 H CYS 5 H CYS 5 -2.432 -6.313 -1.946
8 HA CYS 5 HA CYS 5 -0.541 -4.028 -1.691
9 HB2 CYS 5 1HB CYS 5 -1.967 -5.140 -4.168
10 HB3 CYS 5 2HB CYS 5 -0.766 -3.835 -4.162
11 H PHE 6 H PHE 6 -0.950 -1.988 -1.638
12 HA PHE 6 HA PHE 6 -3.761 -0.857 -1.604
13 HB2 PHE 6 1HB PHE 6 -3.610 -2.341 0.426
14 HB3 PHE 6 2HB PHE 6 -2.206 -1.485 0.989
15 HD1 PHE 6 1HD PHE 6 -5.883 -1.138 0.285
16 HD2 PHE 6 2HD PHE 6 -2.478 0.589 2.258
17 HE1 PHE 6 1HE PHE 6 -7.359 0.457 1.453
18 HE2 PHE 6 2HE PHE 6 -3.969 2.175 3.427
19 HZ PHE 6 HZ PHE 6 -6.404 2.117 3.018
20 HA E9M 7 HA NMW 7 -2.490 3.713 -2.007
21 HD1 E9M 7 HD NMW 7 -1.177 5.891 -1.405
22 HB3 E9M 7 2HB NMW 7 -1.360 2.644 0.619
23 HB2 E9M 7 1HB NMW 7 -2.980 3.179 0.395
24 HE3 E9M 7 3HE NMW 7 -1.910 3.509 3.046
25 HE1 E9M 7 1HE NMW 7 -0.570 7.949 0.143
26 HZ3 E9M 7 3HZ NMW 7 -1.485 4.743 5.150
27 HZ2 E9M 7 2HZ NMW 7 -0.377 8.274 2.961
28 HH2 E9M 7 HH NMW 7 -0.732 7.088 5.112
29 HN3 E9M 7 3H NMW 7 -4.146 2.544 -2.834
30 HN1 E9M 7 1H NMW 7 -3.895 0.831 -3.177
31 HN2 E9M 7 2H NMW 7 -4.714 1.337 -1.666
32 H LYS 8 H LYS 8 0.388 3.276 -0.478
33 HA LYS 8 HA LYS 8 1.996 3.021 -3.079
34 HB2 LYS 8 1HB LYS 8 3.715 4.312 -1.992
35 HB3 LYS 8 2HB LYS 8 2.206 5.182 -1.916
36 HG2 LYS 8 1HG LYS 8 1.993 4.305 0.570
37 HG3 LYS 8 2HG LYS 8 3.637 3.708 0.402
38 HD2 LYS 8 1HD LYS 8 4.355 6.109 -0.244
39 HD3 LYS 8 2HD LYS 8 2.721 6.660 0.058
40 HE2 LYS 8 1HE LYS 8 4.645 5.406 2.154
41 HE3 LYS 8 2HE LYS 8 4.331 7.124 1.948
42 HZ1 LYS 8 1HZ LYS 8 2.711 6.675 3.566
43 HZ2 LYS 8 2HZ LYS 8 1.783 6.210 2.285
44 HZ3 LYS 8 3HZ LYS 8 2.588 5.085 3.190
45 H TYR 9 H TYR 9 0.933 0.827 -1.043
46 HA TYR 9 HA TYR 9 3.599 -0.583 -0.530
47 HB2 TYR 9 1HB TYR 9 0.841 -0.870 0.838
48 HB3 TYR 9 2HB TYR 9 2.307 -1.659 1.324
49 HD1 TYR 9 1HD TYR 9 0.278 1.267 1.777
50 HD2 TYR 9 2HD TYR 9 4.332 -0.120 2.118
51 HE1 TYR 9 1HE TYR 9 0.812 3.158 3.265
52 HE2 TYR 9 2HE TYR 9 4.852 1.777 3.594
53 HH TYR 9 HH TYR 9 3.884 3.402 4.900
54 H CYS 10 H CYS 10 3.891 -2.661 -1.270
55 HA CYS 10 HA CYS 10 1.480 -4.257 -2.194
56 HB2 CYS 10 1HB CYS 10 2.557 -3.061 -4.197
57 HB3 CYS 10 2HB CYS 10 3.894 -4.208 -4.040
58 H VAL 11 H VAL 11 1.752 -5.164 -0.115
59 HA VAL 11 HA VAL 11 2.984 -7.815 -0.445
60 HB VAL 11 HB VAL 11 4.950 -6.666 0.492
61 HG11 VAL 11 1HG1 VAL 11 3.368 -6.132 3.086
62 HG12 VAL 11 2HG1 VAL 11 5.110 -5.849 2.834
63 HG13 VAL 11 3HG1 VAL 11 3.908 -4.891 1.939
64 HG21 VAL 11 1HG2 VAL 11 5.484 -8.296 2.296
65 HG22 VAL 11 2HG2 VAL 11 3.756 -8.691 2.481
66 HG23 VAL 11 3HG2 VAL 11 4.607 -9.093 0.972
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