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 |
|
|
634642 |
6hvc   |
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 -3.336 -8.562 -0.660
2 H2 ASP 4 2H ASP 4 -1.864 -7.683 -0.931
3 H3 ASP 4 3H ASP 4 -2.930 -7.139 0.129
4 HA ASP 4 HA ASP 4 -3.378 -7.312 -2.803
5 HB2 ASP 4 1HB ASP 4 -5.487 -6.748 -0.606
6 HB3 ASP 4 2HB ASP 4 -5.743 -6.500 -2.325
7 H CYS 5 H CYS 5 -3.159 -5.327 -3.828
8 HA CYS 5 HA CYS 5 -1.560 -3.425 -2.311
9 HB2 CYS 5 1HB CYS 5 -1.052 -4.128 -4.662
10 HB3 CYS 5 2HB CYS 5 -2.410 -3.133 -5.235
11 H PHE 6 H PHE 6 -1.892 -1.518 -1.523
12 HA PHE 6 HA PHE 6 -4.561 -0.043 -1.847
13 HB2 PHE 6 1HB PHE 6 -2.588 -0.060 0.533
14 HB3 PHE 6 2HB PHE 6 -3.927 1.036 0.398
15 HD1 PHE 6 1HD PHE 6 -3.008 -2.526 0.985
16 HD2 PHE 6 2HD PHE 6 -6.273 0.270 0.792
17 HE1 PHE 6 1HE PHE 6 -4.460 -4.146 2.107
18 HE2 PHE 6 2HE PHE 6 -7.725 -1.374 1.915
19 HZ PHE 6 HZ PHE 6 -6.828 -3.580 2.575
20 H TRP 7 H TRP 7 -4.229 2.345 -1.737
21 HA TRP 7 HA TRP 7 -2.773 3.267 -3.858
22 HB2 TRP 7 1HB TRP 7 -4.515 4.615 -2.980
23 HB3 TRP 7 2HB TRP 7 -3.770 4.760 -1.411
24 HD1 TRP 7 HD TRP 7 -2.908 7.129 -0.908
25 HE1 TRP 7 1HE TRP 7 -1.895 9.214 -2.207
26 HE3 TRP 7 3HE TRP 7 -2.666 4.879 -5.397
27 HZ2 TRP 7 2HZ TRP 7 -1.088 9.597 -4.917
28 HZ3 TRP 7 3HZ TRP 7 -1.741 6.122 -7.368
29 HH2 TRP 7 HH TRP 7 -0.950 8.446 -7.111
30 HA NMK 8 HA NMK 8 1.439 3.657 -2.572
31 HB2 NMK 8 1HB NMK 8 1.413 5.311 -0.026
32 HB3 NMK 8 2HB NMK 8 2.823 5.025 -1.007
33 HG2 NMK 8 1HG NMK 8 0.337 6.396 -2.236
34 HG3 NMK 8 2HG NMK 8 1.415 7.270 -1.196
35 HD2 NMK 8 1HD NMK 8 2.056 7.760 -3.456
36 HD3 NMK 8 2HD NMK 8 3.353 6.919 -2.652
37 HE2 NMK 8 1HE NMK 8 3.220 6.180 -4.963
38 HE3 NMK 8 2HE NMK 8 2.872 4.812 -3.918
39 HZ1 NMK 8 2HZ NMK 8 1.285 5.160 -5.889
40 HZ3 NMK 8 1HZ NMK 8 0.662 6.472 -5.095
41 HM1 NMK 8 1H NMK 8 -1.765 4.882 -0.174
42 HM2 NMK 8 2H NMK 8 -1.770 3.098 -0.014
43 HM3 NMK 8 3H NMK 8 -0.435 4.048 0.645
44 HZ2 NMK 8 3HZ NMK 8 0.532 4.968 -4.439
45 H TYR 9 H TYR 9 0.182 1.381 -1.635
46 HA TYR 9 HA TYR 9 2.494 0.022 -0.165
47 HB2 TYR 9 1HB TYR 9 1.061 1.056 1.602
48 HB3 TYR 9 2HB TYR 9 -0.361 0.284 0.967
49 HD1 TYR 9 1HD TYR 9 -0.862 -2.050 1.533
50 HD2 TYR 9 2HD TYR 9 2.899 -0.345 2.724
51 HE1 TYR 9 1HE TYR 9 -0.481 -3.948 3.038
52 HE2 TYR 9 2HE TYR 9 3.274 -2.262 4.233
53 HH TYR 9 HH TYR 9 0.937 -4.923 4.443
54 H CYS 10 H CYS 10 2.862 -1.414 -1.834
55 HA CYS 10 HA CYS 10 0.602 -3.306 -2.687
56 HB2 CYS 10 1HB CYS 10 3.294 -2.673 -3.977
57 HB3 CYS 10 2HB CYS 10 2.372 -4.119 -4.362
58 H VAL 11 H VAL 11 0.408 -4.328 -0.681
59 HA VAL 11 HA VAL 11 2.086 -6.829 -0.715
60 HB VAL 11 HB VAL 11 1.360 -5.518 1.958
61 HG11 VAL 11 1HG1 VAL 11 1.298 -8.015 2.056
62 HG12 VAL 11 2HG1 VAL 11 2.958 -8.110 1.424
63 HG13 VAL 11 3HG1 VAL 11 2.642 -7.391 3.028
64 HG21 VAL 11 1HG2 VAL 11 3.348 -4.304 1.073
65 HG22 VAL 11 2HG2 VAL 11 3.822 -5.305 2.451
66 HG23 VAL 11 3HG2 VAL 11 4.205 -5.836 0.787
Start of MODEL 2
1 H1 ASP 4 1H ASP 4 -2.832 -8.001 1.174
2 H2 ASP 4 2H ASP 4 -1.604 -7.409 0.086
3 H3 ASP 4 3H ASP 4 -2.008 -6.551 1.343
4 HA ASP 4 HA ASP 4 -3.840 -7.171 -0.921
5 HB2 ASP 4 1HB ASP 4 -4.503 -5.750 1.747
6 HB3 ASP 4 2HB ASP 4 -5.544 -5.755 0.334
7 H CYS 5 H CYS 5 -3.443 -5.776 -2.540
8 HA CYS 5 HA CYS 5 -1.499 -3.605 -2.137
9 HB2 CYS 5 1HB CYS 5 -1.264 -5.137 -4.018
10 HB3 CYS 5 2HB CYS 5 -2.874 -4.731 -4.632
11 H PHE 6 H PHE 6 -1.908 -1.552 -1.646
12 HA PHE 6 HA PHE 6 -4.264 -0.112 -2.884
13 HB2 PHE 6 1HB PHE 6 -5.047 0.850 -0.820
14 HB3 PHE 6 2HB PHE 6 -5.103 -0.873 -0.717
15 HD1 PHE 6 1HD PHE 6 -3.534 -2.123 0.835
16 HD2 PHE 6 2HD PHE 6 -3.660 2.167 0.757
17 HE1 PHE 6 1HE PHE 6 -2.463 -2.048 3.048
18 HE2 PHE 6 2HE PHE 6 -2.558 2.234 2.961
19 HZ PHE 6 HZ PHE 6 -1.968 0.127 4.114
20 H TRP 7 H TRP 7 -4.058 2.324 -2.271
21 HA TRP 7 HA TRP 7 -2.234 3.179 -4.105
22 HB2 TRP 7 1HB TRP 7 -4.131 4.506 -3.536
23 HB3 TRP 7 2HB TRP 7 -3.591 4.757 -1.899
24 HD1 TRP 7 HD TRP 7 -3.124 7.226 -1.534
25 HE1 TRP 7 1HE TRP 7 -2.253 9.335 -2.900
26 HE3 TRP 7 3HE TRP 7 -1.728 4.654 -5.635
27 HZ2 TRP 7 2HZ TRP 7 -1.083 9.611 -5.493
28 HZ3 TRP 7 3HZ TRP 7 -0.713 5.861 -7.572
29 HH2 TRP 7 HH TRP 7 -0.407 8.309 -7.498
30 HA NMK 8 HA NMK 8 1.681 3.804 -2.087
31 HB2 NMK 8 1HB NMK 8 1.264 5.253 0.540
32 HB3 NMK 8 2HB NMK 8 2.764 5.072 -0.341
33 HG2 NMK 8 1HG NMK 8 0.310 6.688 -1.262
34 HG3 NMK 8 2HG NMK 8 1.810 7.330 -0.612
35 HD2 NMK 8 1HD NMK 8 3.054 6.270 -2.633
36 HD3 NMK 8 2HD NMK 8 1.476 5.789 -3.271
37 HE2 NMK 8 1HE NMK 8 0.776 8.283 -3.241
38 HE3 NMK 8 2HE NMK 8 2.431 8.694 -2.772
39 HZ1 NMK 8 2HZ NMK 8 2.203 8.768 -5.209
40 HZ3 NMK 8 1HZ NMK 8 1.632 7.223 -5.262
41 HM1 NMK 8 1H NMK 8 -2.098 3.425 -0.238
42 HM2 NMK 8 2H NMK 8 -0.779 4.102 0.714
43 HM3 NMK 8 3H NMK 8 -1.732 5.170 -0.340
44 HZ2 NMK 8 3HZ NMK 8 3.197 7.503 -4.836
45 H TYR 9 H TYR 9 0.195 1.445 -1.367
46 HA TYR 9 HA TYR 9 2.505 0.006 -0.075
47 HB2 TYR 9 1HB TYR 9 1.110 0.877 1.903
48 HB3 TYR 9 2HB TYR 9 -0.240 -0.058 1.329
49 HD1 TYR 9 1HD TYR 9 -0.263 -2.548 1.667
50 HD2 TYR 9 2HD TYR 9 3.190 -0.241 2.795
51 HE1 TYR 9 1HE TYR 9 0.595 -4.452 2.965
52 HE2 TYR 9 2HE TYR 9 4.042 -2.160 4.075
53 HH TYR 9 HH TYR 9 3.697 -4.275 4.682
54 H CYS 10 H CYS 10 2.609 -1.066 -2.088
55 HA CYS 10 HA CYS 10 0.221 -2.754 -2.911
56 HB2 CYS 10 1HB CYS 10 1.394 -1.206 -4.548
57 HB3 CYS 10 2HB CYS 10 2.718 -2.391 -4.579
58 H VAL 11 H VAL 11 0.699 -3.959 -0.794
59 HA VAL 11 HA VAL 11 2.045 -6.577 -1.538
60 HB VAL 11 HB VAL 11 2.602 -5.168 1.138
61 HG11 VAL 11 1HG1 VAL 11 3.690 -7.875 0.106
62 HG12 VAL 11 2HG1 VAL 11 4.138 -7.088 1.645
63 HG13 VAL 11 3HG1 VAL 11 2.481 -7.655 1.392
64 HG21 VAL 11 1HG2 VAL 11 4.067 -4.114 -0.576
65 HG22 VAL 11 2HG2 VAL 11 5.046 -5.122 0.498
66 HG23 VAL 11 3HG2 VAL 11 4.625 -5.704 -1.138
Start of MODEL 3
1 H1 ASP 4 1H ASP 4 -2.778 -7.877 1.346
2 H2 ASP 4 2H ASP 4 -1.532 -7.370 0.244
3 H3 ASP 4 3H ASP 4 -1.933 -6.435 1.470
4 HA ASP 4 HA ASP 4 -3.727 -7.127 -0.801
5 HB2 ASP 4 1HB ASP 4 -4.446 -5.616 1.801
6 HB3 ASP 4 2HB ASP 4 -5.461 -5.678 0.370
7 H CYS 5 H CYS 5 -3.421 -5.736 -2.454
8 HA CYS 5 HA CYS 5 -1.477 -3.536 -2.118
9 HB2 CYS 5 1HB CYS 5 -1.211 -5.103 -3.963
10 HB3 CYS 5 2HB CYS 5 -2.825 -4.732 -4.590
11 H PHE 6 H PHE 6 -1.923 -1.501 -1.665
12 HA PHE 6 HA PHE 6 -4.259 -0.094 -2.966
13 HB2 PHE 6 1HB PHE 6 -5.135 0.862 -0.931
14 HB3 PHE 6 2HB PHE 6 -5.178 -0.860 -0.834
15 HD1 PHE 6 1HD PHE 6 -3.829 2.188 0.710
16 HD2 PHE 6 2HD PHE 6 -3.649 -2.103 0.764
17 HE1 PHE 6 1HE PHE 6 -2.788 2.253 2.943
18 HE2 PHE 6 2HE PHE 6 -2.637 -2.028 3.005
19 HZ PHE 6 HZ PHE 6 -2.198 0.146 4.096
20 H TRP 7 H TRP 7 -4.086 2.365 -2.236
21 HA TRP 7 HA TRP 7 -2.289 3.241 -4.084
22 HB2 TRP 7 1HB TRP 7 -4.178 4.575 -3.473
23 HB3 TRP 7 2HB TRP 7 -3.621 4.799 -1.836
24 HD1 TRP 7 HD TRP 7 -2.878 7.219 -1.376
25 HE1 TRP 7 1HE TRP 7 -1.837 9.280 -2.696
26 HE3 TRP 7 3HE TRP 7 -2.047 4.727 -5.661
27 HZ2 TRP 7 2HZ TRP 7 -0.799 9.558 -5.345
28 HZ3 TRP 7 3HZ TRP 7 -1.027 5.914 -7.623
29 HH2 TRP 7 HH TRP 7 -0.403 8.295 -7.445
30 HA NMK 8 HA NMK 8 1.660 3.700 -2.137
31 HB2 NMK 8 1HB NMK 8 1.157 5.349 0.372
32 HB3 NMK 8 2HB NMK 8 2.743 5.007 -0.271
33 HG2 NMK 8 1HG NMK 8 0.557 6.426 -1.925
34 HG3 NMK 8 2HG NMK 8 1.647 7.285 -0.877
35 HD2 NMK 8 1HD NMK 8 3.451 7.139 -2.262
36 HD3 NMK 8 2HD NMK 8 3.215 5.476 -2.697
37 HE2 NMK 8 1HE NMK 8 1.447 7.737 -3.873
38 HE3 NMK 8 2HE NMK 8 3.011 7.317 -4.570
39 HZ1 NMK 8 2HZ NMK 8 0.973 6.088 -5.517
40 HZ3 NMK 8 1HZ NMK 8 0.929 5.192 -4.140
41 HM1 NMK 8 1H NMK 8 -1.822 4.994 -0.293
42 HM2 NMK 8 2H NMK 8 -1.988 3.216 -0.174
43 HM3 NMK 8 3H NMK 8 -0.722 4.046 0.729
44 HZ2 NMK 8 3HZ NMK 8 2.250 5.123 -5.104
45 H TYR 9 H TYR 9 0.192 1.412 -1.394
46 HA TYR 9 HA TYR 9 2.436 -0.041 0.035
47 HB2 TYR 9 1HB TYR 9 0.891 0.895 1.876
48 HB3 TYR 9 2HB TYR 9 -0.417 -0.045 1.219
49 HD1 TYR 9 1HD TYR 9 -0.436 -2.562 1.533
50 HD2 TYR 9 2HD TYR 9 2.806 -0.177 3.060
51 HE1 TYR 9 1HE TYR 9 0.272 -4.425 2.972
52 HE2 TYR 9 2HE TYR 9 3.501 -2.052 4.489
53 HH TYR 9 HH TYR 9 3.103 -4.157 5.097
54 H CYS 10 H CYS 10 2.666 -1.148 -1.968
55 HA CYS 10 HA CYS 10 0.288 -2.812 -2.904
56 HB2 CYS 10 1HB CYS 10 1.403 -1.178 -4.489
57 HB3 CYS 10 2HB CYS 10 2.746 -2.339 -4.583
58 H VAL 11 H VAL 11 0.721 -4.123 -0.888
59 HA VAL 11 HA VAL 11 1.778 -6.715 -1.858
60 HB VAL 11 HB VAL 11 3.874 -5.756 -0.986
61 HG11 VAL 11 1HG1 VAL 11 4.340 -5.372 1.425
62 HG12 VAL 11 2HG1 VAL 11 3.054 -4.273 0.877
63 HG13 VAL 11 3HG1 VAL 11 2.638 -5.703 1.839
64 HG21 VAL 11 1HG2 VAL 11 2.892 -8.108 0.741
65 HG22 VAL 11 2HG2 VAL 11 3.537 -8.230 -0.911
66 HG23 VAL 11 3HG2 VAL 11 4.592 -7.684 0.411
Start of MODEL 4
1 H1 ASP 4 1H ASP 4 -2.731 -7.901 1.302
2 H2 ASP 4 2H ASP 4 -1.457 -7.281 0.302
3 H3 ASP 4 3H ASP 4 -2.005 -6.440 1.575
4 HA ASP 4 HA ASP 4 -3.663 -7.145 -0.799
5 HB2 ASP 4 1HB ASP 4 -4.455 -5.628 1.781
6 HB3 ASP 4 2HB ASP 4 -5.442 -5.708 0.332
7 H CYS 5 H CYS 5 -3.477 -5.724 -2.449
8 HA CYS 5 HA CYS 5 -1.510 -3.522 -2.145
9 HB2 CYS 5 1HB CYS 5 -1.281 -5.199 -3.937
10 HB3 CYS 5 2HB CYS 5 -2.850 -4.737 -4.619
11 H PHE 6 H PHE 6 -1.904 -1.445 -1.869
12 HA PHE 6 HA PHE 6 -4.273 -0.074 -3.089
13 HB2 PHE 6 1HB PHE 6 -5.135 0.832 -0.941
14 HB3 PHE 6 2HB PHE 6 -5.333 -0.872 -1.123
15 HD1 PHE 6 1HD PHE 6 -3.278 1.699 0.701
16 HD2 PHE 6 2HD PHE 6 -4.463 -2.428 0.537
17 HE1 PHE 6 1HE PHE 6 -2.461 1.366 3.001
18 HE2 PHE 6 2HE PHE 6 -3.674 -2.740 2.841
19 HZ PHE 6 HZ PHE 6 -2.672 -0.848 4.080
20 H TRP 7 H TRP 7 -4.154 2.364 -2.068
21 HA TRP 7 HA TRP 7 -2.488 3.447 -3.912
22 HB2 TRP 7 1HB TRP 7 -4.320 4.695 -3.057
23 HB3 TRP 7 2HB TRP 7 -3.674 4.742 -1.440
24 HD1 TRP 7 HD TRP 7 -3.116 7.129 -0.776
25 HE1 TRP 7 1HE TRP 7 -2.342 9.403 -1.914
26 HE3 TRP 7 3HE TRP 7 -2.129 5.139 -5.295
27 HZ2 TRP 7 2HZ TRP 7 -1.388 10.026 -4.538
28 HZ3 TRP 7 3HZ TRP 7 -1.269 6.598 -7.134
29 HH2 TRP 7 HH TRP 7 -0.912 9.008 -6.753
30 HA NMK 8 HA NMK 8 1.587 3.783 -2.190
31 HB2 NMK 8 1HB NMK 8 1.282 5.359 0.389
32 HB3 NMK 8 2HB NMK 8 2.792 5.089 -0.450
33 HG2 NMK 8 1HG NMK 8 0.379 6.527 -1.731
34 HG3 NMK 8 2HG NMK 8 1.639 7.356 -0.839
35 HD2 NMK 8 1HD NMK 8 3.385 6.713 -2.483
36 HD3 NMK 8 2HD NMK 8 2.323 5.560 -3.255
37 HE2 NMK 8 1HE NMK 8 2.465 7.430 -4.738
38 HE3 NMK 8 2HE NMK 8 0.822 7.338 -4.114
39 HZ1 NMK 8 2HZ NMK 8 2.943 9.188 -3.057
40 HZ3 NMK 8 1HZ NMK 8 1.395 9.113 -2.506
41 HM1 NMK 8 1H NMK 8 -2.033 3.355 -0.062
42 HM2 NMK 8 2H NMK 8 -0.619 3.922 0.828
43 HM3 NMK 8 3H NMK 8 -1.632 5.096 -0.038
44 HZ2 NMK 8 3HZ NMK 8 1.694 9.648 -4.038
45 H TYR 9 H TYR 9 0.266 1.477 -1.496
46 HA TYR 9 HA TYR 9 2.524 -0.005 -0.122
47 HB2 TYR 9 1HB TYR 9 1.260 0.770 1.844
48 HB3 TYR 9 2HB TYR 9 -0.265 0.292 1.151
49 HD1 TYR 9 1HD TYR 9 -1.026 -2.017 1.211
50 HD2 TYR 9 2HD TYR 9 2.898 -1.069 2.690
51 HE1 TYR 9 1HE TYR 9 -0.823 -4.277 2.121
52 HE2 TYR 9 2HE TYR 9 3.094 -3.371 3.577
53 HH TYR 9 HH TYR 9 0.926 -5.814 2.476
54 H CYS 10 H CYS 10 2.820 -1.445 -1.801
55 HA CYS 10 HA CYS 10 0.373 -3.021 -2.782
56 HB2 CYS 10 1HB CYS 10 1.568 -1.455 -4.438
57 HB3 CYS 10 2HB CYS 10 2.862 -2.670 -4.462
58 H VAL 11 H VAL 11 0.885 -4.145 -0.613
59 HA VAL 11 HA VAL 11 2.204 -6.776 -1.353
60 HB VAL 11 HB VAL 11 2.927 -5.312 1.248
61 HG11 VAL 11 1HG1 VAL 11 4.461 -7.239 1.722
62 HG12 VAL 11 2HG1 VAL 11 2.784 -7.787 1.594
63 HG13 VAL 11 3HG1 VAL 11 3.904 -8.067 0.240
64 HG21 VAL 11 1HG2 VAL 11 4.292 -4.327 -0.565
65 HG22 VAL 11 2HG2 VAL 11 5.323 -5.328 0.465
66 HG23 VAL 11 3HG2 VAL 11 4.790 -5.936 -1.129
Start of MODEL 5
1 H1 ASP 4 1H ASP 4 -0.774 -7.241 0.447
2 H2 ASP 4 2H ASP 4 -1.262 -6.156 1.543
3 H3 ASP 4 3H ASP 4 -2.100 -7.570 1.494
4 HA ASP 4 HA ASP 4 -2.982 -7.083 -0.711
5 HB2 ASP 4 1HB ASP 4 -3.643 -5.199 1.662
6 HB3 ASP 4 2HB ASP 4 -4.674 -5.412 0.261
7 H CYS 5 H CYS 5 -3.676 -5.375 -2.192
8 HA CYS 5 HA CYS 5 -1.465 -3.323 -2.643
9 HB2 CYS 5 1HB CYS 5 -1.721 -5.223 -4.284
10 HB3 CYS 5 2HB CYS 5 -3.270 -4.522 -4.776
11 H PHE 6 H PHE 6 -1.951 -1.379 -1.971
12 HA PHE 6 HA PHE 6 -4.398 0.011 -2.986
13 HB2 PHE 6 1HB PHE 6 -5.177 0.804 -0.774
14 HB3 PHE 6 2HB PHE 6 -5.349 -0.898 -1.001
15 HD1 PHE 6 1HD PHE 6 -3.387 1.686 0.871
16 HD2 PHE 6 2HD PHE 6 -4.266 -2.507 0.508
17 HE1 PHE 6 1HE PHE 6 -2.459 1.289 3.118
18 HE2 PHE 6 2HE PHE 6 -3.379 -2.880 2.771
19 HZ PHE 6 HZ PHE 6 -2.468 -0.990 4.076
20 H TRP 7 H TRP 7 -4.253 2.405 -1.908
21 HA TRP 7 HA TRP 7 -2.687 3.591 -3.751
22 HB2 TRP 7 1HB TRP 7 -4.429 4.824 -2.743
23 HB3 TRP 7 2HB TRP 7 -3.726 4.733 -1.151
24 HD1 TRP 7 HD TRP 7 -3.103 7.040 -0.318
25 HE1 TRP 7 1HE TRP 7 -2.244 9.368 -1.268
26 HE3 TRP 7 3HE TRP 7 -2.290 5.411 -5.015
27 HZ2 TRP 7 2HZ TRP 7 -1.232 10.153 -3.826
28 HZ3 TRP 7 3HZ TRP 7 -1.321 6.964 -6.713
29 HH2 TRP 7 HH TRP 7 -0.805 9.301 -6.120
30 HA NMK 8 HA NMK 8 1.505 3.822 -2.311
31 HB2 NMK 8 1HB NMK 8 1.446 5.282 0.353
32 HB3 NMK 8 2HB NMK 8 2.828 5.067 -0.714
33 HG2 NMK 8 1HG NMK 8 1.448 6.247 -2.577
34 HG3 NMK 8 2HG NMK 8 0.255 6.643 -1.350
35 HD2 NMK 8 1HD NMK 8 2.044 7.836 0.009
36 HD3 NMK 8 2HD NMK 8 3.237 7.501 -1.228
37 HE2 NMK 8 1HE NMK 8 0.664 9.198 -1.620
38 HE3 NMK 8 2HE NMK 8 2.270 9.853 -1.299
39 HZ1 NMK 8 2HZ NMK 8 1.855 9.864 -3.701
40 HZ3 NMK 8 1HZ NMK 8 1.511 8.251 -3.712
41 HM1 NMK 8 1H NMK 8 -1.874 3.145 0.066
42 HM2 NMK 8 2H NMK 8 -0.464 3.850 0.865
43 HM3 NMK 8 3H NMK 8 -1.658 4.922 0.112
44 HZ2 NMK 8 3HZ NMK 8 3.044 8.756 -3.403
45 H TYR 9 H TYR 9 0.255 1.471 -1.620
46 HA TYR 9 HA TYR 9 2.515 -0.023 -0.231
47 HB2 TYR 9 1HB TYR 9 1.133 0.848 1.649
48 HB3 TYR 9 2HB TYR 9 -0.333 0.239 0.931
49 HD1 TYR 9 1HD TYR 9 -0.871 -2.168 0.981
50 HD2 TYR 9 2HD TYR 9 2.754 -0.752 2.806
51 HE1 TYR 9 1HE TYR 9 -0.592 -4.323 2.105
52 HE2 TYR 9 2HE TYR 9 3.026 -2.948 3.918
53 HH TYR 9 HH TYR 9 1.347 -5.664 2.794
54 H CYS 10 H CYS 10 2.856 -1.653 -1.666
55 HA CYS 10 HA CYS 10 0.519 -3.519 -2.214
56 HB2 CYS 10 1HB CYS 10 2.337 -2.468 -4.444
57 HB3 CYS 10 2HB CYS 10 1.374 -3.947 -4.586
58 H VAL 11 H VAL 11 1.383 -4.424 -0.331
59 HA VAL 11 HA VAL 11 2.698 -6.911 -1.216
60 HB VAL 11 HB VAL 11 4.123 -7.232 0.810
61 HG11 VAL 11 1HG1 VAL 11 6.172 -6.239 -0.145
62 HG12 VAL 11 2HG1 VAL 11 5.122 -6.805 -1.463
63 HG13 VAL 11 3HG1 VAL 11 5.215 -5.071 -1.090
64 HG21 VAL 11 1HG2 VAL 11 4.041 -4.169 1.165
65 HG22 VAL 11 2HG2 VAL 11 3.529 -5.405 2.333
66 HG23 VAL 11 3HG2 VAL 11 5.239 -5.248 1.930
Start of MODEL 6
1 H1 ASP 4 1H ASP 4 -1.279 -7.878 -0.135
2 H2 ASP 4 2H ASP 4 -0.835 -6.767 0.914
3 H3 ASP 4 3H ASP 4 -2.134 -7.737 1.319
4 HA ASP 4 HA ASP 4 -3.423 -6.899 -0.631
5 HB2 ASP 4 1HB ASP 4 -2.898 -5.193 1.893
6 HB3 ASP 4 2HB ASP 4 -4.283 -5.002 0.833
7 H CYS 5 H CYS 5 -3.789 -5.234 -2.103
8 HA CYS 5 HA CYS 5 -1.456 -3.331 -2.638
9 HB2 CYS 5 1HB CYS 5 -1.743 -5.303 -4.208
10 HB3 CYS 5 2HB CYS 5 -3.252 -4.568 -4.758
11 H PHE 6 H PHE 6 -1.930 -1.365 -2.015
12 HA PHE 6 HA PHE 6 -4.381 0.025 -3.014
13 HB2 PHE 6 1HB PHE 6 -5.192 0.755 -0.791
14 HB3 PHE 6 2HB PHE 6 -5.341 -0.942 -1.060
15 HD1 PHE 6 1HD PHE 6 -3.373 1.613 0.863
16 HD2 PHE 6 2HD PHE 6 -4.309 -2.565 0.460
17 HE1 PHE 6 1HE PHE 6 -2.495 1.190 3.124
18 HE2 PHE 6 2HE PHE 6 -3.486 -2.959 2.742
19 HZ PHE 6 HZ PHE 6 -2.567 -1.093 4.072
20 H TRP 7 H TRP 7 -4.306 2.382 -1.935
21 HA TRP 7 HA TRP 7 -2.795 3.702 -3.666
22 HB2 TRP 7 1HB TRP 7 -4.472 4.891 -2.554
23 HB3 TRP 7 2HB TRP 7 -3.791 4.629 -0.973
24 HD1 TRP 7 HD TRP 7 -3.048 6.780 0.129
25 HE1 TRP 7 1HE TRP 7 -1.997 9.137 -0.527
26 HE3 TRP 7 3HE TRP 7 -2.331 5.692 -4.722
27 HZ2 TRP 7 2HZ TRP 7 -0.933 10.156 -2.964
28 HZ3 TRP 7 3HZ TRP 7 -1.210 7.355 -6.215
29 HH2 TRP 7 HH TRP 7 -0.519 9.552 -5.334
30 HA NMK 8 HA NMK 8 1.438 3.700 -2.378
31 HB2 NMK 8 1HB NMK 8 2.902 5.038 -1.135
32 HB3 NMK 8 2HB NMK 8 1.491 5.931 -1.663
33 HG2 NMK 8 1HG NMK 8 0.550 5.973 0.618
34 HG3 NMK 8 2HG NMK 8 1.811 4.882 1.215
35 HD2 NMK 8 1HD NMK 8 3.572 6.625 0.630
36 HD3 NMK 8 2HD NMK 8 2.302 7.709 0.050
37 HE2 NMK 8 1HE NMK 8 1.266 7.747 2.380
38 HE3 NMK 8 2HE NMK 8 2.526 6.647 2.961
39 HZ1 NMK 8 2HZ NMK 8 4.211 8.341 2.335
40 HZ3 NMK 8 1HZ NMK 8 3.130 8.993 3.396
41 HM1 NMK 8 1H NMK 8 -1.719 2.868 0.051
42 HM2 NMK 8 2H NMK 8 -0.389 3.682 0.873
43 HM3 NMK 8 3H NMK 8 -1.729 4.648 0.234
44 HZ2 NMK 8 3HZ NMK 8 3.044 9.365 1.792
45 H TYR 9 H TYR 9 0.257 1.458 -1.644
46 HA TYR 9 HA TYR 9 2.513 -0.049 -0.249
47 HB2 TYR 9 1HB TYR 9 1.120 0.798 1.623
48 HB3 TYR 9 2HB TYR 9 -0.348 0.233 0.875
49 HD1 TYR 9 1HD TYR 9 -0.956 -2.155 0.888
50 HD2 TYR 9 2HD TYR 9 2.702 -0.875 2.753
51 HE1 TYR 9 1HE TYR 9 -0.729 -4.344 1.961
52 HE2 TYR 9 2HE TYR 9 2.918 -3.104 3.808
53 HH TYR 9 HH TYR 9 1.054 -5.745 2.623
54 H CYS 10 H CYS 10 2.870 -1.661 -1.693
55 HA CYS 10 HA CYS 10 0.537 -3.539 -2.224
56 HB2 CYS 10 1HB CYS 10 2.432 -2.640 -4.438
57 HB3 CYS 10 2HB CYS 10 1.450 -4.114 -4.517
58 H VAL 11 H VAL 11 1.097 -4.569 -0.429
59 HA VAL 11 HA VAL 11 3.078 -6.767 -0.862
60 HB VAL 11 HB VAL 11 3.195 -5.121 1.731
61 HG11 VAL 11 1HG1 VAL 11 4.736 -7.702 1.035
62 HG12 VAL 11 2HG1 VAL 11 4.952 -6.719 2.513
63 HG13 VAL 11 3HG1 VAL 11 3.418 -7.553 2.223
64 HG21 VAL 11 1HG2 VAL 11 4.573 -3.989 0.015
65 HG22 VAL 11 2HG2 VAL 11 5.626 -4.725 1.232
66 HG23 VAL 11 3HG2 VAL 11 5.422 -5.503 -0.366
Start of MODEL 7
1 H1 ASP 4 1H ASP 4 -2.446 -6.803 1.011
2 H2 ASP 4 2H ASP 4 -3.018 -8.310 0.550
3 H3 ASP 4 3H ASP 4 -1.636 -7.543 -0.160
4 HA ASP 4 HA ASP 4 -3.500 -7.412 -1.702
5 HB2 ASP 4 1HB ASP 4 -5.102 -6.425 0.755
6 HB3 ASP 4 2HB ASP 4 -5.705 -6.441 -0.893
7 H CYS 5 H CYS 5 -3.129 -5.717 -3.083
8 HA CYS 5 HA CYS 5 -1.568 -3.489 -2.147
9 HB2 CYS 5 1HB CYS 5 -2.684 -4.335 -4.891
10 HB3 CYS 5 2HB CYS 5 -1.635 -2.946 -4.670
11 H PHE 6 H PHE 6 -1.942 -1.428 -1.761
12 HA PHE 6 HA PHE 6 -4.401 -0.029 -2.783
13 HB2 PHE 6 1HB PHE 6 -5.129 0.835 -0.642
14 HB3 PHE 6 2HB PHE 6 -5.162 -0.892 -0.629
15 HD1 PHE 6 1HD PHE 6 -3.572 -2.207 0.836
16 HD2 PHE 6 2HD PHE 6 -3.632 2.090 0.909
17 HE1 PHE 6 1HE PHE 6 -2.442 -2.222 3.019
18 HE2 PHE 6 2HE PHE 6 -2.461 2.062 3.078
19 HZ PHE 6 HZ PHE 6 -1.873 -0.093 4.139
20 H TRP 7 H TRP 7 -4.213 2.392 -2.051
21 HA TRP 7 HA TRP 7 -2.557 3.417 -3.910
22 HB2 TRP 7 1HB TRP 7 -4.340 4.724 -3.065
23 HB3 TRP 7 2HB TRP 7 -3.685 4.775 -1.451
24 HD1 TRP 7 HD TRP 7 -3.202 7.178 -0.847
25 HE1 TRP 7 1HE TRP 7 -2.586 9.435 -2.090
26 HE3 TRP 7 3HE TRP 7 -2.081 5.098 -5.298
27 HZ2 TRP 7 2HZ TRP 7 -1.249 9.977 -4.580
28 HZ3 TRP 7 3HZ TRP 7 -1.106 6.508 -7.112
29 HH2 TRP 7 HH TRP 7 -0.698 8.912 -6.747
30 HA NMK 8 HA NMK 8 1.568 3.797 -2.307
31 HB2 NMK 8 1HB NMK 8 1.400 5.324 0.312
32 HB3 NMK 8 2HB NMK 8 2.834 5.054 -0.669
33 HG2 NMK 8 1HG NMK 8 1.636 6.231 -2.635
34 HG3 NMK 8 2HG NMK 8 0.337 6.642 -1.527
35 HD2 NMK 8 1HD NMK 8 2.043 7.868 -0.022
36 HD3 NMK 8 2HD NMK 8 3.303 7.435 -1.155
37 HE2 NMK 8 1HE NMK 8 2.775 9.702 -1.673
38 HE3 NMK 8 2HE NMK 8 2.116 8.751 -3.004
39 HZ1 NMK 8 2HZ NMK 8 0.509 9.711 -0.651
40 HZ3 NMK 8 1HZ NMK 8 -0.105 8.902 -1.945
41 HM1 NMK 8 1H NMK 8 -0.544 4.009 0.769
42 HM2 NMK 8 2H NMK 8 -1.688 5.044 -0.111
43 HM3 NMK 8 3H NMK 8 -1.923 3.270 -0.047
44 HZ2 NMK 8 3HZ NMK 8 0.499 10.426 -2.140
45 H TYR 9 H TYR 9 0.222 1.452 -1.530
46 HA TYR 9 HA TYR 9 2.540 0.022 -0.180
47 HB2 TYR 9 1HB TYR 9 1.044 0.942 1.695
48 HB3 TYR 9 2HB TYR 9 -0.283 0.005 1.074
49 HD1 TYR 9 1HD TYR 9 -0.309 -2.497 1.393
50 HD2 TYR 9 2HD TYR 9 3.000 -0.147 2.820
51 HE1 TYR 9 1HE TYR 9 0.414 -4.368 2.813
52 HE2 TYR 9 2HE TYR 9 3.724 -2.036 4.220
53 HH TYR 9 HH TYR 9 3.322 -4.138 4.838
54 H CYS 10 H CYS 10 2.841 -1.404 -1.867
55 HA CYS 10 HA CYS 10 0.462 -3.154 -2.680
56 HB2 CYS 10 1HB CYS 10 1.524 -1.796 -4.510
57 HB3 CYS 10 2HB CYS 10 2.970 -2.811 -4.356
58 H VAL 11 H VAL 11 0.740 -4.222 -0.605
59 HA VAL 11 HA VAL 11 2.194 -6.805 -1.148
60 HB VAL 11 HB VAL 11 2.338 -5.537 1.645
61 HG11 VAL 11 1HG1 VAL 11 2.181 -8.032 1.700
62 HG12 VAL 11 2HG1 VAL 11 3.587 -8.172 0.618
63 HG13 VAL 11 3HG1 VAL 11 3.773 -7.494 2.260
64 HG21 VAL 11 1HG2 VAL 11 4.695 -5.930 -0.316
65 HG22 VAL 11 2HG2 VAL 11 4.039 -4.376 0.245
66 HG23 VAL 11 3HG2 VAL 11 4.846 -5.448 1.398
Start of MODEL 8
1 H1 ASP 4 1H ASP 4 -1.479 -6.869 0.748
2 H2 ASP 4 2H ASP 4 -2.774 -7.808 1.333
3 H3 ASP 4 3H ASP 4 -2.220 -7.857 -0.274
4 HA ASP 4 HA ASP 4 -4.253 -6.613 -0.362
5 HB2 ASP 4 1HB ASP 4 -3.303 -5.370 2.300
6 HB3 ASP 4 2HB ASP 4 -4.775 -4.933 1.452
7 H CYS 5 H CYS 5 -3.638 -5.591 -2.246
8 HA CYS 5 HA CYS 5 -1.478 -3.514 -2.179
9 HB2 CYS 5 1HB CYS 5 -1.323 -5.275 -3.871
10 HB3 CYS 5 2HB CYS 5 -2.907 -4.835 -4.531
11 H PHE 6 H PHE 6 -1.908 -1.473 -1.791
12 HA PHE 6 HA PHE 6 -4.274 -0.081 -3.045
13 HB2 PHE 6 1HB PHE 6 -4.869 -1.094 -0.690
14 HB3 PHE 6 2HB PHE 6 -3.822 0.105 -0.022
15 HD1 PHE 6 1HD PHE 6 -7.124 -0.461 -1.573
16 HD2 PHE 6 2HD PHE 6 -4.460 2.543 -0.047
17 HE1 PHE 6 1HE PHE 6 -8.993 1.143 -1.448
18 HE2 PHE 6 2HE PHE 6 -6.333 4.125 0.100
19 HZ PHE 6 HZ PHE 6 -8.602 3.435 -0.605
20 H TRP 7 H TRP 7 -4.167 2.341 -2.275
21 HA TRP 7 HA TRP 7 -2.421 3.467 -3.975
22 HB2 TRP 7 1HB TRP 7 -4.233 4.742 -3.195
23 HB3 TRP 7 2HB TRP 7 -3.719 4.673 -1.532
24 HD1 TRP 7 HD TRP 7 -3.290 7.007 -0.696
25 HE1 TRP 7 1HE TRP 7 -2.497 9.348 -1.680
26 HE3 TRP 7 3HE TRP 7 -1.805 5.294 -5.201
27 HZ2 TRP 7 2HZ TRP 7 -0.861 10.038 -3.928
28 HZ3 TRP 7 3HZ TRP 7 -0.586 6.815 -6.757
29 HH2 TRP 7 HH TRP 7 -0.125 9.151 -6.121
30 HA NMK 8 HA NMK 8 1.620 3.748 -2.145
31 HB2 NMK 8 1HB NMK 8 1.252 5.336 0.416
32 HB3 NMK 8 2HB NMK 8 2.780 5.014 -0.393
33 HG2 NMK 8 1HG NMK 8 1.883 6.109 -2.510
34 HG3 NMK 8 2HG NMK 8 0.429 6.567 -1.671
35 HD2 NMK 8 1HD NMK 8 3.284 7.410 -0.811
36 HD3 NMK 8 2HD NMK 8 2.297 8.373 -1.878
37 HE2 NMK 8 1HE NMK 8 1.468 7.643 1.026
38 HE3 NMK 8 2HE NMK 8 2.347 9.108 0.595
39 HZ1 NMK 8 2HZ NMK 8 0.505 9.819 -0.806
40 HZ3 NMK 8 1HZ NMK 8 -0.133 9.433 0.668
41 HM1 NMK 8 1H NMK 8 -1.716 4.997 -0.079
42 HM2 NMK 8 2H NMK 8 -2.001 3.231 -0.100
43 HM3 NMK 8 3H NMK 8 -0.646 3.899 0.815
44 HZ2 NMK 8 3HZ NMK 8 -0.305 8.409 -0.621
45 H TYR 9 H TYR 9 0.225 1.435 -1.452
46 HA TYR 9 HA TYR 9 2.488 -0.043 -0.085
47 HB2 TYR 9 1HB TYR 9 1.014 0.827 1.823
48 HB3 TYR 9 2HB TYR 9 -0.338 -0.047 1.163
49 HD1 TYR 9 1HD TYR 9 2.948 -0.378 2.886
50 HD2 TYR 9 2HD TYR 9 -0.454 -2.549 1.398
51 HE1 TYR 9 1HE TYR 9 3.620 -2.349 4.196
52 HE2 TYR 9 2HE TYR 9 0.224 -4.507 2.718
53 HH TYR 9 HH TYR 9 3.157 -4.464 4.720
54 H CYS 10 H CYS 10 2.727 -1.248 -1.993
55 HA CYS 10 HA CYS 10 0.353 -2.975 -2.851
56 HB2 CYS 10 1HB CYS 10 1.443 -1.444 -4.561
57 HB3 CYS 10 2HB CYS 10 2.794 -2.597 -4.570
58 H VAL 11 H VAL 11 0.693 -4.182 -0.823
59 HA VAL 11 HA VAL 11 2.287 -6.678 -1.457
60 HB VAL 11 HB VAL 11 2.435 -5.373 1.320
61 HG11 VAL 11 1HG1 VAL 11 2.464 -7.871 1.424
62 HG12 VAL 11 2HG1 VAL 11 3.832 -7.932 0.286
63 HG13 VAL 11 3HG1 VAL 11 4.033 -7.213 1.909
64 HG21 VAL 11 1HG2 VAL 11 4.002 -4.119 -0.150
65 HG22 VAL 11 2HG2 VAL 11 4.925 -5.119 0.981
66 HG23 VAL 11 3HG2 VAL 11 4.743 -5.630 -0.721
Start of MODEL 9
1 H1 ASP 4 1H ASP 4 -2.190 -7.866 -1.900
2 H2 ASP 4 2H ASP 4 -3.381 -7.597 -0.898
3 H3 ASP 4 3H ASP 4 -3.649 -8.798 -2.023
4 HA ASP 4 HA ASP 4 -3.540 -7.148 -3.839
5 HB2 ASP 4 1HB ASP 4 -5.800 -6.947 -1.732
6 HB3 ASP 4 2HB ASP 4 -5.913 -6.320 -3.368
7 H CYS 5 H CYS 5 -3.332 -5.003 -4.477
8 HA CYS 5 HA CYS 5 -1.612 -3.551 -2.635
9 HB2 CYS 5 1HB CYS 5 -1.152 -3.881 -5.093
10 HB3 CYS 5 2HB CYS 5 -2.410 -2.683 -5.461
11 H PHE 6 H PHE 6 -1.785 -1.739 -1.510
12 HA PHE 6 HA PHE 6 -4.393 -0.188 -1.403
13 HB2 PHE 6 1HB PHE 6 -3.606 -1.291 0.717
14 HB3 PHE 6 2HB PHE 6 -2.049 -0.527 0.579
15 HD1 PHE 6 1HD PHE 6 -1.716 1.419 1.901
16 HD2 PHE 6 2HD PHE 6 -5.736 0.414 0.743
17 HE1 PHE 6 1HE PHE 6 -2.578 3.261 3.277
18 HE2 PHE 6 2HE PHE 6 -6.585 2.267 2.121
19 HZ PHE 6 HZ PHE 6 -5.013 3.701 3.383
20 H TRP 7 H TRP 7 -4.108 2.141 -1.360
21 HA TRP 7 HA TRP 7 -2.959 3.023 -3.701
22 HB2 TRP 7 1HB TRP 7 -4.728 4.259 -2.663
23 HB3 TRP 7 2HB TRP 7 -3.788 4.604 -1.235
24 HD1 TRP 7 HD TRP 7 -3.089 7.081 -1.065
25 HE1 TRP 7 1HE TRP 7 -2.561 9.129 -2.680
26 HE3 TRP 7 3HE TRP 7 -3.272 4.437 -5.332
27 HZ2 TRP 7 2HZ TRP 7 -2.275 9.331 -5.517
28 HZ3 TRP 7 3HZ TRP 7 -2.875 5.577 -7.533
29 HH2 TRP 7 HH TRP 7 -2.368 7.993 -7.604
30 HA NMK 8 HA NMK 8 1.300 3.666 -2.823
31 HB2 NMK 8 1HB NMK 8 1.390 5.529 -0.411
32 HB3 NMK 8 2HB NMK 8 2.767 5.169 -1.422
33 HG2 NMK 8 1HG NMK 8 0.167 6.394 -2.542
34 HG3 NMK 8 2HG NMK 8 1.451 7.366 -1.886
35 HD2 NMK 8 1HD NMK 8 2.893 7.072 -3.654
36 HD3 NMK 8 2HD NMK 8 2.487 5.410 -3.956
37 HE2 NMK 8 1HE NMK 8 0.536 7.708 -4.685
38 HE3 NMK 8 2HE NMK 8 1.847 7.227 -5.763
39 HZ1 NMK 8 2HZ NMK 8 -0.031 5.137 -4.719
40 HZ3 NMK 8 1HZ NMK 8 0.911 5.074 -6.055
41 HM1 NMK 8 1H NMK 8 -1.606 5.089 -0.249
42 HM2 NMK 8 2H NMK 8 -1.769 3.328 0.001
43 HM3 NMK 8 3H NMK 8 -0.304 4.163 0.525
44 HZ2 NMK 8 3HZ NMK 8 -0.437 6.035 -6.038
45 H TYR 9 H TYR 9 0.199 1.390 -1.568
46 HA TYR 9 HA TYR 9 2.782 0.220 -0.533
47 HB2 TYR 9 1HB TYR 9 1.628 1.332 1.503
48 HB3 TYR 9 2HB TYR 9 0.322 0.197 1.333
49 HD1 TYR 9 1HD TYR 9 4.004 0.527 2.006
50 HD2 TYR 9 2HD TYR 9 0.610 -2.108 2.185
51 HE1 TYR 9 1HE TYR 9 5.300 -1.068 3.372
52 HE2 TYR 9 2HE TYR 9 1.912 -3.680 3.558
53 HH TYR 9 HH TYR 9 3.886 -4.128 4.477
54 H CYS 10 H CYS 10 2.894 -1.517 -1.861
55 HA CYS 10 HA CYS 10 0.426 -3.101 -2.563
56 HB2 CYS 10 1HB CYS 10 3.242 -3.164 -3.708
57 HB3 CYS 10 2HB CYS 10 2.028 -4.389 -4.070
58 H VAL 11 H VAL 11 -0.287 -4.677 -1.369
59 HA VAL 11 HA VAL 11 1.505 -6.786 -0.270
60 HB VAL 11 HB VAL 11 1.541 -5.071 1.519
61 HG11 VAL 11 1HG1 VAL 11 -0.419 -4.546 2.975
62 HG12 VAL 11 2HG1 VAL 11 -0.739 -4.018 1.309
63 HG13 VAL 11 3HG1 VAL 11 -1.492 -5.500 1.926
64 HG21 VAL 11 1HG2 VAL 11 1.816 -7.469 2.135
65 HG22 VAL 11 2HG2 VAL 11 1.042 -6.554 3.449
66 HG23 VAL 11 3HG2 VAL 11 0.063 -7.617 2.406
Start of MODEL 10
1 H1 ASP 4 1H ASP 4 -2.517 -7.783 -1.675
2 H2 ASP 4 2H ASP 4 -3.797 -6.873 -1.458
3 H3 ASP 4 3H ASP 4 -4.089 -8.410 -2.054
4 HA ASP 4 HA ASP 4 -2.866 -7.840 -4.125
5 HB2 ASP 4 1HB ASP 4 -5.505 -6.391 -3.470
6 HB3 ASP 4 2HB ASP 4 -4.863 -6.648 -5.086
7 H CYS 5 H CYS 5 -4.109 -4.651 -4.022
8 HA CYS 5 HA CYS 5 -1.604 -3.562 -2.755
9 HB2 CYS 5 1HB CYS 5 -1.319 -3.725 -5.314
10 HB3 CYS 5 2HB CYS 5 -2.549 -2.463 -5.458
11 H PHE 6 H PHE 6 -1.740 -1.714 -1.618
12 HA PHE 6 HA PHE 6 -4.394 -0.245 -1.423
13 HB2 PHE 6 1HB PHE 6 -3.655 -1.360 0.695
14 HB3 PHE 6 2HB PHE 6 -2.087 -0.610 0.593
15 HD1 PHE 6 1HD PHE 6 -5.767 0.359 0.719
16 HD2 PHE 6 2HD PHE 6 -1.749 1.358 1.885
17 HE1 PHE 6 1HE PHE 6 -6.614 2.250 2.049
18 HE2 PHE 6 2HE PHE 6 -2.610 3.238 3.216
19 HZ PHE 6 HZ PHE 6 -5.041 3.696 3.294
20 H TRP 7 H TRP 7 -4.169 2.054 -1.431
21 HA TRP 7 HA TRP 7 -3.001 3.091 -3.658
22 HB2 TRP 7 1HB TRP 7 -4.695 4.328 -2.596
23 HB3 TRP 7 2HB TRP 7 -3.822 4.464 -1.093
24 HD1 TRP 7 HD TRP 7 -3.236 6.871 -0.561
25 HE1 TRP 7 1HE TRP 7 -2.499 9.102 -1.814
26 HE3 TRP 7 3HE TRP 7 -2.900 4.811 -5.148
27 HZ2 TRP 7 2HZ TRP 7 -1.708 9.623 -4.501
28 HZ3 TRP 7 3HZ TRP 7 -2.066 6.185 -7.058
29 HH2 TRP 7 HH TRP 7 -1.475 8.556 -6.727
30 HA NMK 8 HA NMK 8 1.308 3.757 -2.836
31 HB2 NMK 8 1HB NMK 8 1.461 5.534 -0.387
32 HB3 NMK 8 2HB NMK 8 2.733 5.268 -1.585
33 HG2 NMK 8 1HG NMK 8 1.080 6.124 -3.390
34 HG3 NMK 8 2HG NMK 8 0.007 6.623 -2.114
35 HD2 NMK 8 1HD NMK 8 2.898 7.678 -2.543
36 HD3 NMK 8 2HD NMK 8 1.429 8.439 -3.088
37 HE2 NMK 8 1HE NMK 8 1.880 9.701 -1.182
38 HE3 NMK 8 2HE NMK 8 0.634 8.594 -0.609
39 HZ1 NMK 8 2HZ NMK 8 3.598 8.277 -0.200
40 HZ3 NMK 8 1HZ NMK 8 2.494 7.159 0.268
41 HM1 NMK 8 1H NMK 8 -1.517 5.063 -0.155
42 HM2 NMK 8 2H NMK 8 -1.766 3.304 0.009
43 HM3 NMK 8 3H NMK 8 -0.255 4.034 0.553
44 HZ2 NMK 8 3HZ NMK 8 2.501 8.653 0.974
45 H TYR 9 H TYR 9 0.278 1.435 -1.571
46 HA TYR 9 HA TYR 9 2.894 0.266 -0.658
47 HB2 TYR 9 1HB TYR 9 1.917 1.399 1.454
48 HB3 TYR 9 2HB TYR 9 0.565 0.307 1.376
49 HD1 TYR 9 1HD TYR 9 4.279 0.540 1.856
50 HD2 TYR 9 2HD TYR 9 0.848 -2.035 2.154
51 HE1 TYR 9 1HE TYR 9 5.609 -1.106 3.128
52 HE2 TYR 9 2HE TYR 9 2.185 -3.659 3.429
53 HH TYR 9 HH TYR 9 4.195 -4.164 4.236
54 H CYS 10 H CYS 10 2.902 -1.565 -1.881
55 HA CYS 10 HA CYS 10 0.342 -2.999 -2.504
56 HB2 CYS 10 1HB CYS 10 3.129 -3.336 -3.650
57 HB3 CYS 10 2HB CYS 10 1.804 -4.456 -3.971
58 H VAL 11 H VAL 11 -0.497 -4.273 -1.036
59 HA VAL 11 HA VAL 11 0.977 -6.717 -0.233
60 HB VAL 11 HB VAL 11 1.436 -5.177 1.674
61 HG11 VAL 11 1HG1 VAL 11 -0.701 -3.821 1.754
62 HG12 VAL 11 2HG1 VAL 11 -1.582 -5.244 2.333
63 HG13 VAL 11 3HG1 VAL 11 -0.300 -4.522 3.339
64 HG21 VAL 11 1HG2 VAL 11 1.397 -7.642 2.042
65 HG22 VAL 11 2HG2 VAL 11 0.858 -6.778 3.500
66 HG23 VAL 11 3HG2 VAL 11 -0.335 -7.577 2.441
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