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 |
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|
10816 |
1qfb   |
4406 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H GLY 1 1H GLY 1 18.759 27.655 17.034
2 2H GLY 1 2H GLY 1 17.667 27.869 15.781
3 3H GLY 1 3H GLY 1 19.254 28.372 15.595
4 1HA GLY 1 HA2 GLY 1 18.114 25.945 14.906
5 2HA GLY 1 HA1 GLY 1 19.827 26.413 14.771
6 H CYS 2 HN CYS 2 17.969 26.150 17.782
7 HA CYS 2 HA CYS 2 19.560 23.759 18.570
8 1HB CYS 2 HB2 CYS 2 18.718 26.192 20.259
9 2HB CYS 2 HB1 CYS 2 19.318 24.718 20.935
10 HA HYP 3 HA HYP 3 19.215 22.171 20.149
11 1HB HYP 3 1HB HYP 3 18.382 20.383 21.344
12 2HB HYP 3 2HB HYP 3 17.720 19.709 19.882
13 1HD HYP 3 1HD HYP 3 15.517 23.098 20.654
14 2HD HYP 3 2HD HYP 3 15.329 22.130 19.206
15 HOD HYP 3 HOD HYP 3 15.431 21.068 22.573
16 HG HYP 3 HG HYP 3 15.562 20.240 20.633
17 H DTR 4 HN DTR 4 19.512 19.654 19.062
18 HA DTR 4 HA DTR 4 19.643 20.144 16.119
19 1HB DTR 4 HB1 DTR 4 19.556 17.433 16.273
20 2HB DTR 4 HB2 DTR 4 18.076 18.383 16.194
21 HD1 DTR 4 HD1 DTR 4 16.365 17.718 18.051
22 HE1 DTR 4 HE1 DTR 4 16.604 16.658 20.294
23 HZ2 DTR 4 HZ2 DTR 4 18.682 15.719 22.133
24 HH2 DTR 4 HH2 DTR 4 21.163 15.557 22.203
25 HZ3 DTR 4 HZ3 DTR 4 22.500 16.371 20.247
26 HE3 DTR 4 HE3 DTR 4 21.385 17.293 18.332
27 H GLU 5 HN GLU 5 21.732 20.661 18.233
28 HA GLU 5 HA GLU 5 23.669 18.538 17.619
29 1HB GLU 5 HB2 GLU 5 23.810 21.341 16.646
30 2HB GLU 5 HB1 GLU 5 25.331 20.771 17.158
31 1HG GLU 5 HG2 GLU 5 24.007 18.834 15.369
32 2HG GLU 5 HG1 GLU 5 23.933 20.435 14.679
33 HA PRO 6 HA PRO 6 24.778 18.982 21.707
34 1HB PRO 6 HB2 PRO 6 27.276 17.984 21.712
35 2HB PRO 6 HB1 PRO 6 26.009 17.031 20.947
36 1HG PRO 6 HG2 PRO 6 27.807 19.147 19.522
37 2HG PRO 6 HG1 PRO 6 27.706 17.471 19.026
38 1HD PRO 6 HD2 PRO 6 26.281 19.403 17.916
39 2HD PRO 6 HD1 PRO 6 25.439 17.843 18.206
40 H TRP 7 HN TRP 7 26.184 20.984 19.539
41 HA TRP 7 HA TRP 7 28.034 22.270 21.399
42 1HB TRP 7 HB2 TRP 7 28.773 23.401 19.392
43 2HB TRP 7 HB1 TRP 7 28.706 21.660 19.176
44 HD1 TRP 7 HD1 TRP 7 29.015 22.633 16.662
45 HE1 TRP 7 HE1 TRP 7 27.266 23.231 14.922
46 HE3 TRP 7 HE3 TRP 7 25.005 22.710 19.509
47 HZ2 TRP 7 HZ2 TRP 7 24.458 23.706 14.746
48 HZ3 TRP 7 HZ3 TRP 7 22.825 23.123 18.622
49 HH2 TRP 7 HH2 TRP 7 22.470 23.683 16.221
50 H CYS 8 HN CYS 8 24.933 22.679 21.411
51 HA CYS 8 HA CYS 8 24.705 25.581 21.209
52 1HB CYS 8 HB2 CYS 8 22.882 23.479 22.404
53 2HB CYS 8 HB1 CYS 8 22.512 25.162 22.523
54 1HN NH2 9 1HN NH2 9 26.748 25.801 22.653
55 2HN NH2 9 2HN NH2 9 26.533 25.847 24.333
Start of MODEL 2
1 1H GLY 1 1H GLY 1 16.381 26.013 16.218
2 2H GLY 1 2H GLY 1 17.813 25.209 16.556
3 3H GLY 1 3H GLY 1 17.862 26.873 16.234
4 1HA GLY 1 HA2 GLY 1 17.649 27.283 18.395
5 2HA GLY 1 HA1 GLY 1 16.102 26.402 18.385
6 H CYS 2 HN CYS 2 17.137 25.692 20.602
7 HA CYS 2 HA CYS 2 18.845 23.281 20.121
8 1HB CYS 2 HB2 CYS 2 18.587 25.001 22.613
9 2HB CYS 2 HB1 CYS 2 19.535 23.551 22.501
10 HA HYP 3 HA HYP 3 19.266 21.410 21.285
11 1HB HYP 3 1HB HYP 3 19.003 19.431 22.379
12 2HB HYP 3 2HB HYP 3 18.225 18.796 20.950
13 1HD HYP 3 1HD HYP 3 15.777 21.433 23.003
14 2HD HYP 3 2HD HYP 3 15.294 20.895 21.382
15 HOD HYP 3 HOD HYP 3 17.811 18.958 23.867
16 HG HYP 3 HG HYP 3 16.159 18.752 22.022
17 H DTR 4 HN DTR 4 19.565 19.283 19.725
18 HA DTR 4 HA DTR 4 18.827 20.141 16.958
19 1HB DTR 4 HB1 DTR 4 19.248 17.431 16.719
20 2HB DTR 4 HB2 DTR 4 17.649 18.058 17.068
21 HD1 DTR 4 HD1 DTR 4 16.569 17.194 19.352
22 HE1 DTR 4 HE1 DTR 4 17.567 16.005 21.325
23 HZ2 DTR 4 HZ2 DTR 4 20.109 15.097 22.349
24 HH2 DTR 4 HH2 DTR 4 22.488 15.123 21.677
25 HZ3 DTR 4 HZ3 DTR 4 23.166 16.196 19.520
26 HE3 DTR 4 HE3 DTR 4 21.470 17.155 18.100
27 H GLU 5 HN GLU 5 21.145 20.848 18.650
28 HA GLU 5 HA GLU 5 23.285 19.347 17.253
29 1HB GLU 5 HB2 GLU 5 22.834 22.323 17.280
30 2HB GLU 5 HB1 GLU 5 24.420 21.879 17.702
31 1HG GLU 5 HG2 GLU 5 23.618 22.394 15.168
32 2HG GLU 5 HG1 GLU 5 25.063 21.496 15.607
33 HA PRO 6 HA PRO 6 24.888 18.771 21.233
34 1HB PRO 6 HB2 PRO 6 27.428 18.154 20.672
35 2HB PRO 6 HB1 PRO 6 26.152 17.283 19.767
36 1HG PRO 6 HG2 PRO 6 27.538 19.988 18.891
37 2HG PRO 6 HG1 PRO 6 27.541 18.539 17.915
38 1HD PRO 6 HD2 PRO 6 25.721 20.474 17.603
39 2HD PRO 6 HD1 PRO 6 25.162 18.786 17.480
40 H TRP 7 HN TRP 7 25.757 21.457 19.664
41 HA TRP 7 HA TRP 7 27.768 22.335 21.572
42 1HB TRP 7 HB2 TRP 7 28.060 24.114 19.948
43 2HB TRP 7 HB1 TRP 7 28.072 22.537 19.178
44 HD1 TRP 7 HD1 TRP 7 27.791 24.353 17.239
45 HE1 TRP 7 HE1 TRP 7 25.737 25.285 16.114
46 HE3 TRP 7 HE3 TRP 7 24.401 22.786 20.438
47 HZ2 TRP 7 HZ2 TRP 7 22.868 25.305 16.538
48 HZ3 TRP 7 HZ3 TRP 7 22.082 23.109 20.111
49 HH2 TRP 7 HH2 TRP 7 21.203 24.394 18.150
50 H CYS 8 HN CYS 8 24.706 22.388 22.150
51 HA CYS 8 HA CYS 8 24.526 25.240 22.955
52 1HB CYS 8 HB2 CYS 8 22.574 23.424 22.224
53 2HB CYS 8 HB1 CYS 8 22.464 23.288 23.948
54 HN1 NH2 9 HN1 NH2 9 26.670 24.214 24.106
55 HN2 NH2 9 HN2 NH2 9 26.484 23.850 25.748
Start of MODEL 3
1 1H GLY 1 1H GLY 1 18.349 28.754 16.996
2 2H GLY 1 2H GLY 1 17.549 27.253 17.044
3 3H GLY 1 3H GLY 1 17.809 28.010 15.565
4 1HA GLY 1 HA2 GLY 1 19.727 26.977 15.342
5 2HA GLY 1 HA1 GLY 1 20.279 27.727 16.843
6 H CYS 2 HN CYS 2 18.620 26.704 18.713
7 HA CYS 2 HA CYS 2 19.170 23.776 18.606
8 1HB CYS 2 HB2 CYS 2 19.090 25.801 20.880
9 2HB CYS 2 HB1 CYS 2 19.181 24.084 21.171
10 HA HYP 3 HA HYP 3 18.655 22.251 20.423
11 1HB HYP 3 1HB HYP 3 17.560 20.675 21.638
12 2HB HYP 3 2HB HYP 3 16.815 20.049 20.175
13 1HD HYP 3 1HD HYP 3 15.097 23.739 20.782
14 2HD HYP 3 2HD HYP 3 14.837 22.725 19.363
15 HOD HYP 3 HOD HYP 3 16.031 21.318 22.971
16 HG HYP 3 HG HYP 3 14.761 20.928 20.994
17 H DTR 4 HN DTR 4 19.015 19.898 19.574
18 HA DTR 4 HA DTR 4 19.044 19.966 16.600
19 1HB DTR 4 HB1 DTR 4 18.981 17.346 16.984
20 2HB DTR 4 HB2 DTR 4 17.519 18.263 17.083
21 HD1 DTR 4 HD1 DTR 4 16.087 17.664 19.150
22 HE1 DTR 4 HE1 DTR 4 16.630 16.767 21.417
23 HZ2 DTR 4 HZ2 DTR 4 18.857 15.995 23.044
24 HH2 DTR 4 HH2 DTR 4 21.332 15.896 22.896
25 HZ3 DTR 4 HZ3 DTR 4 22.474 16.615 20.782
26 HE3 DTR 4 HE3 DTR 4 21.175 17.376 18.945
27 H GLU 5 HN GLU 5 21.322 20.788 18.459
28 HA GLU 5 HA GLU 5 23.249 18.630 17.816
29 1HB GLU 5 HB2 GLU 5 23.317 21.449 16.890
30 2HB GLU 5 HB1 GLU 5 24.853 20.930 17.404
31 1HG GLU 5 HG2 GLU 5 23.593 18.959 15.575
32 2HG GLU 5 HG1 GLU 5 23.524 20.547 14.885
33 HA PRO 6 HA PRO 6 24.573 19.059 21.855
34 1HB PRO 6 HB2 PRO 6 27.096 18.155 21.733
35 2HB PRO 6 HB1 PRO 6 25.815 17.165 21.016
36 1HG PRO 6 HG2 PRO 6 27.489 19.348 19.535
37 2HG PRO 6 HG1 PRO 6 27.407 17.665 19.029
38 1HD PRO 6 HD2 PRO 6 25.880 19.579 18.028
39 2HD PRO 6 HD1 PRO 6 25.099 18.001 18.303
40 H TRP 7 HN TRP 7 25.853 21.130 19.646
41 HA TRP 7 HA TRP 7 27.731 22.451 21.458
42 1HB TRP 7 HB2 TRP 7 28.355 23.629 19.428
43 2HB TRP 7 HB1 TRP 7 28.328 21.901 19.197
44 HD1 TRP 7 HD1 TRP 7 28.466 22.909 16.692
45 HE1 TRP 7 HE1 TRP 7 26.593 23.488 15.076
46 HE3 TRP 7 HE3 TRP 7 24.600 22.822 19.767
47 HZ2 TRP 7 HZ2 TRP 7 23.768 23.854 15.056
48 HZ3 TRP 7 HZ3 TRP 7 22.376 23.187 19.054
49 HH2 TRP 7 HH2 TRP 7 21.872 23.770 16.664
50 H CYS 8 HN CYS 8 24.731 22.678 21.705
51 HA CYS 8 HA CYS 8 23.964 25.417 21.383
52 1HB CYS 8 HB2 CYS 8 23.049 23.416 23.471
53 2HB CYS 8 HB1 CYS 8 22.262 24.947 23.146
54 1HN NH2 9 1HN NH2 9 26.168 24.025 23.661
55 2HN NH2 9 2HN NH2 9 26.338 25.395 24.655
Start of MODEL 4
1 1H GLY 1 1H GLY 1 20.767 15.862 24.818
2 2H GLY 1 2H GLY 1 19.156 16.183 25.149
3 3H GLY 1 3H GLY 1 20.092 17.332 24.329
4 1HA GLY 1 HA2 GLY 1 20.246 15.008 22.810
5 2HA GLY 1 HA1 GLY 1 18.529 15.284 23.191
6 H CYS 2 HN CYS 2 18.468 15.922 20.764
7 HA CYS 2 HA CYS 2 19.325 18.758 20.465
8 1HB CYS 2 HB2 CYS 2 19.340 16.457 18.496
9 2HB CYS 2 HB1 CYS 2 19.360 18.129 17.953
10 HA HYP 3 HA HYP 3 18.808 20.376 18.785
11 1HB HYP 3 1HB HYP 3 17.574 21.992 17.728
12 2HB HYP 3 2HB HYP 3 17.098 22.592 19.291
13 1HD HYP 3 1HD HYP 3 15.417 19.038 18.040
14 2HD HYP 3 2HD HYP 3 14.958 19.465 19.709
15 HOD HYP 3 HOD HYP 3 15.576 22.145 16.828
16 HG HYP 3 HG HYP 3 14.952 21.771 19.120
17 H DTR 4 HN DTR 4 18.972 22.711 19.953
18 HA DTR 4 HA DTR 4 19.190 22.149 22.869
19 1HB DTR 4 HB1 DTR 4 18.871 24.796 22.929
20 2HB DTR 4 HB2 DTR 4 17.453 23.744 22.760
21 HD1 DTR 4 HD1 DTR 4 15.906 24.260 20.716
22 HE1 DTR 4 HE1 DTR 4 16.231 25.724 18.686
23 HZ2 DTR 4 HZ2 DTR 4 18.230 27.286 17.340
24 HH2 DTR 4 HH2 DTR 4 20.613 27.911 17.635
25 HZ3 DTR 4 HZ3 DTR 4 21.882 27.038 19.612
26 HE3 DTR 4 HE3 DTR 4 20.772 25.607 21.241
27 H GLU 5 HN GLU 5 21.375 21.970 20.677
28 HA GLU 5 HA GLU 5 23.096 24.192 21.499
29 1HB GLU 5 HB2 GLU 5 23.486 21.362 22.403
30 2HB GLU 5 HB1 GLU 5 24.948 22.097 21.985
31 1HG GLU 5 HG2 GLU 5 22.973 23.477 23.903
32 2HG GLU 5 HG1 GLU 5 23.982 22.213 24.459
33 HA PRO 6 HA PRO 6 24.555 23.990 17.455
34 1HB PRO 6 HB2 PRO 6 26.931 25.213 17.665
35 2HB PRO 6 HB1 PRO 6 25.518 26.007 18.397
36 1HG PRO 6 HG2 PRO 6 27.369 23.918 19.821
37 2HG PRO 6 HG1 PRO 6 27.193 25.561 20.388
38 1HD PRO 6 HD2 PRO 6 25.789 23.575 21.349
39 2HD PRO 6 HD1 PRO 6 24.862 25.058 21.014
40 H TRP 7 HN TRP 7 25.653 21.810 19.448
41 HA TRP 7 HA TRP 7 27.798 20.812 17.696
42 1HB TRP 7 HB2 TRP 7 28.597 19.714 19.670
43 2HB TRP 7 HB1 TRP 7 28.396 21.419 19.949
44 HD1 TRP 7 HD1 TRP 7 28.739 20.267 22.356
45 HE1 TRP 7 HE1 TRP 7 27.122 19.487 24.024
46 HE3 TRP 7 HE3 TRP 7 24.763 20.238 19.502
47 HZ2 TRP 7 HZ2 TRP 7 24.214 18.838 24.162
48 HZ3 TRP 7 HZ3 TRP 7 22.610 19.648 20.280
49 HH2 TRP 7 HH2 TRP 7 22.232 18.903 22.644
50 H CYS 8 HN CYS 8 24.750 20.270 17.654
51 HA CYS 8 HA CYS 8 24.354 17.470 17.934
52 1HB CYS 8 HB2 CYS 8 23.104 19.376 15.909
53 2HB CYS 8 HB1 CYS 8 22.525 17.732 16.213
54 1HN NH2 9 1HN NH2 9 25.678 19.226 15.149
55 2HN NH2 9 2HN NH2 9 26.190 17.835 14.307
Start of MODEL 5
1 1H GLY 1 1H GLY 1 20.000 28.149 15.509
2 2H GLY 1 2H GLY 1 18.947 27.233 14.568
3 3H GLY 1 3H GLY 1 20.158 26.494 15.512
4 1HA GLY 1 HA2 GLY 1 18.661 28.059 17.247
5 2HA GLY 1 HA1 GLY 1 17.538 27.127 16.239
6 H CYS 2 HN CYS 2 17.631 26.378 18.832
7 HA CYS 2 HA CYS 2 19.169 23.853 18.783
8 1HB CYS 2 HB2 CYS 2 18.509 25.533 21.233
9 2HB CYS 2 HB1 CYS 2 19.514 24.123 21.215
10 HA HYP 3 HA HYP 3 19.072 22.148 20.404
11 1HB HYP 3 1HB HYP 3 18.431 20.257 21.533
12 2HB HYP 3 2HB HYP 3 17.627 19.644 20.100
13 1HD HYP 3 1HD HYP 3 15.217 22.797 20.912
14 2HD HYP 3 2HD HYP 3 15.264 21.721 19.534
15 HOD HYP 3 HOD HYP 3 16.981 20.811 23.111
16 HG HYP 3 HG HYP 3 15.602 20.075 21.333
17 H DTR 4 HN DTR 4 19.420 19.686 19.211
18 HA DTR 4 HA DTR 4 19.298 20.248 16.291
19 1HB DTR 4 HB1 DTR 4 19.581 17.569 16.352
20 2HB DTR 4 HB2 DTR 4 17.989 18.283 16.525
21 HD1 DTR 4 HD1 DTR 4 16.701 17.661 18.750
22 HE1 DTR 4 HE1 DTR 4 17.460 16.522 20.847
23 HZ2 DTR 4 HZ2 DTR 4 19.871 15.545 22.129
24 HH2 DTR 4 HH2 DTR 4 22.306 15.406 21.644
25 HZ3 DTR 4 HZ3 DTR 4 23.193 16.306 19.493
26 HE3 DTR 4 HE3 DTR 4 21.667 17.299 17.879
27 H GLU 5 HN GLU 5 21.467 20.919 18.352
28 HA GLU 5 HA GLU 5 23.618 19.168 17.398
29 1HB GLU 5 HB2 GLU 5 23.344 22.057 16.737
30 2HB GLU 5 HB1 GLU 5 24.954 21.622 17.086
31 1HG GLU 5 HG2 GLU 5 24.397 19.678 15.273
32 2HG GLU 5 HG1 GLU 5 23.162 20.781 14.784
33 HA PRO 6 HA PRO 6 24.902 19.366 21.404
34 1HB PRO 6 HB2 PRO 6 27.446 18.575 21.178
35 2HB PRO 6 HB1 PRO 6 26.227 17.626 20.355
36 1HG PRO 6 HG2 PRO 6 27.832 19.994 19.161
37 2HG PRO 6 HG1 PRO 6 27.777 18.383 18.465
38 1HD PRO 6 HD2 PRO 6 26.219 20.429 17.670
39 2HD PRO 6 HD1 PRO 6 25.536 18.780 17.691
40 H TRP 7 HN TRP 7 26.050 21.700 19.414
41 HA TRP 7 HA TRP 7 27.905 22.924 21.306
42 1HB TRP 7 HB2 TRP 7 28.357 24.367 19.386
43 2HB TRP 7 HB1 TRP 7 28.529 22.685 19.013
44 HD1 TRP 7 HD1 TRP 7 28.460 23.771 16.519
45 HE1 TRP 7 HE1 TRP 7 26.525 24.292 15.008
46 HE3 TRP 7 HE3 TRP 7 24.765 23.317 19.710
47 HZ2 TRP 7 HZ2 TRP 7 23.687 24.521 15.101
48 HZ3 TRP 7 HZ3 TRP 7 22.464 23.626 19.123
49 HH2 TRP 7 HH2 TRP 7 21.850 24.282 16.777
50 H CYS 8 HN CYS 8 24.813 23.068 21.535
51 HA CYS 8 HA CYS 8 24.386 25.943 21.654
52 1HB CYS 8 HB2 CYS 8 22.589 24.062 21.337
53 2HB CYS 8 HB1 CYS 8 22.620 23.960 23.052
54 1HN NH2 9 1HN NH2 9 26.666 25.333 23.158
55 2HN NH2 9 2HN NH2 9 26.371 25.591 24.796
Start of MODEL 6
1 1H GLY 1 1H GLY 1 18.915 28.528 17.722
2 2H GLY 1 2H GLY 1 18.942 27.870 19.268
3 3H GLY 1 3H GLY 1 17.574 28.702 18.732
4 1HA GLY 1 HA2 GLY 1 16.748 26.791 17.967
5 2HA GLY 1 HA1 GLY 1 18.160 26.661 16.932
6 H CYS 2 HN CYS 2 17.083 25.950 20.312
7 HA CYS 2 HA CYS 2 18.941 23.642 20.260
8 1HB CYS 2 HB2 CYS 2 18.419 25.575 22.560
9 2HB CYS 2 HB1 CYS 2 19.199 24.026 22.751
10 HA HYP 3 HA HYP 3 19.239 21.770 21.365
11 1HB HYP 3 1HB HYP 3 18.832 19.771 22.385
12 2HB HYP 3 2HB HYP 3 18.231 19.169 20.888
13 1HD HYP 3 1HD HYP 3 15.999 21.727 23.152
14 2HD HYP 3 2HD HYP 3 15.146 21.473 21.624
15 HOD HYP 3 HOD HYP 3 16.424 18.456 23.371
16 HG HYP 3 HG HYP 3 16.000 19.282 21.485
17 H DTR 4 HN DTR 4 19.506 19.658 19.734
18 HA DTR 4 HA DTR 4 18.984 20.688 16.975
19 1HB DTR 4 HB1 DTR 4 19.156 17.968 16.618
20 2HB DTR 4 HB2 DTR 4 17.600 18.741 16.991
21 HD1 DTR 4 HD1 DTR 4 16.407 17.764 19.148
22 HE1 DTR 4 HE1 DTR 4 17.255 16.422 21.089
23 HZ2 DTR 4 HZ2 DTR 4 19.719 15.351 22.160
24 HH2 DTR 4 HH2 DTR 4 22.129 15.285 21.586
25 HZ3 DTR 4 HZ3 DTR 4 22.935 16.426 19.487
26 HE3 DTR 4 HE3 DTR 4 21.343 17.547 18.058
27 H GLU 5 HN GLU 5 21.343 20.946 18.931
28 HA GLU 5 HA GLU 5 23.338 19.280 17.514
29 1HB GLU 5 HB2 GLU 5 23.061 22.234 17.279
30 2HB GLU 5 HB1 GLU 5 24.669 21.797 17.663
31 1HG GLU 5 HG2 GLU 5 23.248 20.303 15.407
32 2HG GLU 5 HG1 GLU 5 23.732 21.944 15.116
33 HA PRO 6 HA PRO 6 24.958 18.598 21.314
34 1HB PRO 6 HB2 PRO 6 27.544 18.056 20.796
35 2HB PRO 6 HB1 PRO 6 26.333 17.179 19.843
36 1HG PRO 6 HG2 PRO 6 27.674 19.896 19.119
37 2HG PRO 6 HG1 PRO 6 27.695 18.497 18.071
38 1HD PRO 6 HD2 PRO 6 25.957 20.478 17.814
39 2HD PRO 6 HD1 PRO 6 25.319 18.806 17.586
40 H TRP 7 HN TRP 7 25.844 21.370 19.892
41 HA TRP 7 HA TRP 7 27.761 22.187 21.918
42 1HB TRP 7 HB2 TRP 7 28.009 24.110 20.400
43 2HB TRP 7 HB1 TRP 7 28.235 22.581 19.614
44 HD1 TRP 7 HD1 TRP 7 28.019 24.272 17.545
45 HE1 TRP 7 HE1 TRP 7 25.994 25.077 16.285
46 HE3 TRP 7 HE3 TRP 7 24.478 22.726 20.596
47 HZ2 TRP 7 HZ2 TRP 7 23.155 25.080 16.510
48 HZ3 TRP 7 HZ3 TRP 7 22.138 23.020 20.132
49 HH2 TRP 7 HH2 TRP 7 21.408 24.234 18.071
50 H CYS 8 HN CYS 8 24.631 22.192 22.224
51 HA CYS 8 HA CYS 8 24.443 24.919 23.358
52 1HB CYS 8 HB2 CYS 8 22.476 23.458 22.179
53 2HB CYS 8 HB1 CYS 8 22.218 22.954 23.820
54 1HN NH2 9 1HN NH2 9 25.468 21.891 24.363
55 2HN NH2 9 2HN NH2 9 25.331 22.099 26.041
Start of MODEL 7
1 1H GLY 1 1H GLY 1 19.861 26.780 15.711
2 2H GLY 1 2H GLY 1 20.094 28.471 15.687
3 3H GLY 1 3H GLY 1 18.632 27.786 15.110
4 1HA GLY 1 HA2 GLY 1 19.219 28.624 17.706
5 2HA GLY 1 HA1 GLY 1 17.756 27.826 17.105
6 H CYS 2 HN CYS 2 17.997 26.896 19.343
7 HA CYS 2 HA CYS 2 19.429 24.302 19.187
8 1HB CYS 2 HB2 CYS 2 18.921 25.996 21.696
9 2HB CYS 2 HB1 CYS 2 19.761 24.467 21.650
10 HA HYP 3 HA HYP 3 19.033 22.446 20.630
11 1HB HYP 3 1HB HYP 3 18.052 20.580 21.551
12 2HB HYP 3 2HB HYP 3 17.277 20.194 20.039
13 1HD HYP 3 1HD HYP 3 15.228 23.552 20.976
14 2HD HYP 3 2HD HYP 3 15.291 22.590 19.496
15 HOD HYP 3 HOD HYP 3 16.684 21.267 23.070
16 HG HYP 3 HG HYP 3 15.254 20.801 21.215
17 H DTR 4 HN DTR 4 19.098 20.089 19.263
18 HA DTR 4 HA DTR 4 19.423 20.843 16.387
19 1HB DTR 4 HB1 DTR 4 19.108 18.168 16.252
20 2HB DTR 4 HB2 DTR 4 17.714 19.211 16.225
21 HD1 DTR 4 HD1 DTR 4 15.909 18.660 18.060
22 HE1 DTR 4 HE1 DTR 4 15.976 17.299 20.146
23 HZ2 DTR 4 HZ2 DTR 4 17.827 15.817 21.813
24 HH2 DTR 4 HH2 DTR 4 20.230 15.253 21.863
25 HZ3 DTR 4 HZ3 DTR 4 21.740 16.103 20.045
26 HE3 DTR 4 HE3 DTR 4 20.820 17.417 18.261
27 H GLU 5 HN GLU 5 21.444 21.042 18.573
28 HA GLU 5 HA GLU 5 23.162 18.733 18.026
29 1HB GLU 5 HB2 GLU 5 23.641 21.436 16.937
30 2HB GLU 5 HB1 GLU 5 25.074 20.780 17.608
31 1HG GLU 5 HG2 GLU 5 23.935 18.743 15.927
32 2HG GLU 5 HG1 GLU 5 23.655 20.258 15.087
33 HA PRO 6 HA PRO 6 24.355 19.128 22.089
34 1HB PRO 6 HB2 PRO 6 26.710 17.850 22.109
35 2HB PRO 6 HB1 PRO 6 25.323 17.035 21.380
36 1HG PRO 6 HG2 PRO 6 27.355 18.883 19.896
37 2HG PRO 6 HG1 PRO 6 27.047 17.215 19.443
38 1HD PRO 6 HD2 PRO 6 25.871 19.293 18.300
39 2HD PRO 6 HD1 PRO 6 24.849 17.856 18.587
40 H TRP 7 HN TRP 7 26.017 20.879 19.859
41 HA TRP 7 HA TRP 7 28.020 21.983 21.705
42 1HB TRP 7 HB2 TRP 7 28.843 23.045 19.661
43 2HB TRP 7 HB1 TRP 7 28.660 21.317 19.485
44 HD1 TRP 7 HD1 TRP 7 28.986 22.075 16.929
45 HE1 TRP 7 HE1 TRP 7 27.295 22.764 15.209
46 HE3 TRP 7 HE3 TRP 7 25.078 22.800 19.827
47 HZ2 TRP 7 HZ2 TRP 7 24.533 23.563 15.012
48 HZ3 TRP 7 HZ3 TRP 7 22.928 23.445 19.009
49 HH2 TRP 7 HH2 TRP 7 22.599 23.907 16.553
50 H CYS 8 HN CYS 8 25.039 22.622 21.785
51 HA CYS 8 HA CYS 8 24.911 25.528 21.432
52 1HB CYS 8 HB2 CYS 8 22.874 23.993 21.374
53 2HB CYS 8 HB1 CYS 8 23.095 23.692 23.092
54 1HN NH2 9 1HN NH2 9 26.985 25.887 22.728
55 2HN NH2 9 2HN NH2 9 26.907 25.980 24.416
Start of MODEL 8
1 1H GLY 1 1H GLY 1 17.265 16.608 23.578
2 2H GLY 1 2H GLY 1 17.730 15.159 24.229
3 3H GLY 1 3H GLY 1 16.384 15.213 23.209
4 1HA GLY 1 HA2 GLY 1 19.134 14.936 22.478
5 2HA GLY 1 HA1 GLY 1 17.721 14.852 21.420
6 H CYS 2 HN CYS 2 18.438 16.411 19.777
7 HA CYS 2 HA CYS 2 19.237 19.086 20.794
8 1HB CYS 2 HB2 CYS 2 19.193 18.569 17.872
9 2HB CYS 2 HB1 CYS 2 20.437 19.309 18.840
10 HA HYP 3 HA HYP 3 19.177 21.148 19.174
11 1HB HYP 3 1HB HYP 3 18.257 23.020 18.275
12 2HB HYP 3 2HB HYP 3 17.788 23.516 19.878
13 1HD HYP 3 1HD HYP 3 15.356 20.383 18.719
14 2HD HYP 3 2HD HYP 3 15.428 20.982 20.387
15 HOD HYP 3 HOD HYP 3 15.305 22.788 17.261
16 HG HYP 3 HG HYP 3 15.543 23.138 19.305
17 H DTR 4 HN DTR 4 19.618 23.320 20.548
18 HA DTR 4 HA DTR 4 19.702 22.558 23.426
19 1HB DTR 4 HB1 DTR 4 19.891 25.188 23.623
20 2HB DTR 4 HB2 DTR 4 18.331 24.494 23.330
21 HD1 DTR 4 HD1 DTR 4 17.042 25.603 21.341
22 HE1 DTR 4 HE1 DTR 4 17.782 26.941 19.360
23 HZ2 DTR 4 HZ2 DTR 4 20.134 27.887 18.064
24 HH2 DTR 4 HH2 DTR 4 22.592 27.788 18.338
25 HZ3 DTR 4 HZ3 DTR 4 23.557 26.547 20.280
26 HE3 DTR 4 HE3 DTR 4 22.106 25.483 21.865
27 H GLU 5 HN GLU 5 21.830 22.077 21.239
28 HA GLU 5 HA GLU 5 23.971 23.856 22.139
29 1HB GLU 5 HB2 GLU 5 23.746 21.033 23.070
30 2HB GLU 5 HB1 GLU 5 25.294 21.367 22.471
31 1HG GLU 5 HG2 GLU 5 24.787 23.540 24.188
32 2HG GLU 5 HG1 GLU 5 24.002 22.210 24.965
33 HA PRO 6 HA PRO 6 25.266 23.460 18.118
34 1HB PRO 6 HB2 PRO 6 27.762 24.342 18.292
35 2HB PRO 6 HB1 PRO 6 26.512 25.253 19.131
36 1HG PRO 6 HG2 PRO 6 28.214 22.936 20.332
37 2HG PRO 6 HG1 PRO 6 28.096 24.556 21.043
38 1HD PRO 6 HD2 PRO 6 26.684 22.389 21.760
39 2HD PRO 6 HD1 PRO 6 25.961 24.017 21.916
40 H TRP 7 HN TRP 7 26.251 21.132 20.105
41 HA TRP 7 HA TRP 7 28.166 19.850 18.285
42 1HB TRP 7 HB2 TRP 7 28.595 18.444 20.281
43 2HB TRP 7 HB1 TRP 7 28.852 20.140 20.561
44 HD1 TRP 7 HD1 TRP 7 28.832 19.264 23.137
45 HE1 TRP 7 HE1 TRP 7 26.988 18.912 24.745
46 HE3 TRP 7 HE3 TRP 7 25.083 19.529 20.064
47 HZ2 TRP 7 HZ2 TRP 7 24.103 18.678 24.745
48 HZ3 TRP 7 HZ3 TRP 7 22.789 19.270 20.724
49 HH2 TRP 7 HH2 TRP 7 22.216 18.821 23.123
50 H CYS 8 HN CYS 8 25.036 19.776 18.213
51 HA CYS 8 HA CYS 8 24.245 17.034 18.315
52 1HB CYS 8 HB2 CYS 8 22.730 19.076 17.984
53 2HB CYS 8 HB1 CYS 8 23.213 19.078 16.305
54 1HN NH2 9 1HN NH2 9 25.530 18.854 15.523
55 2HN NH2 9 2HN NH2 9 25.901 17.488 14.599
Start of MODEL 9
1 1H GLY 1 1H GLY 1 20.860 28.773 16.135
2 2H GLY 1 2H GLY 1 20.584 28.003 17.611
3 3H GLY 1 3H GLY 1 19.638 29.321 17.188
4 1HA GLY 1 HA2 GLY 1 18.166 27.956 16.194
5 2HA GLY 1 HA1 GLY 1 19.432 27.464 15.095
6 H CYS 2 HN CYS 2 18.331 26.892 18.479
7 HA CYS 2 HA CYS 2 19.225 24.052 18.144
8 1HB CYS 2 HB2 CYS 2 19.598 26.018 20.410
9 2HB CYS 2 HB1 CYS 2 19.416 24.333 20.798
10 HA HYP 3 HA HYP 3 19.016 22.385 20.127
11 1HB HYP 3 1HB HYP 3 18.075 20.668 21.273
12 2HB HYP 3 2HB HYP 3 17.290 20.069 19.835
13 1HD HYP 3 1HD HYP 3 15.366 23.591 20.682
14 2HD HYP 3 2HD HYP 3 15.160 22.612 19.227
15 HOD HYP 3 HOD HYP 3 16.741 21.338 22.720
16 HG HYP 3 HG HYP 3 15.261 20.818 20.891
17 H DTR 4 HN DTR 4 19.201 19.912 19.110
18 HA DTR 4 HA DTR 4 19.457 20.295 16.161
19 1HB DTR 4 HB1 DTR 4 19.122 17.619 16.325
20 2HB DTR 4 HB2 DTR 4 17.736 18.680 16.219
21 HD1 DTR 4 HD1 DTR 4 15.953 18.205 18.070
22 HE1 DTR 4 HE1 DTR 4 16.045 17.153 20.318
23 HZ2 DTR 4 HZ2 DTR 4 17.979 15.964 22.146
24 HH2 DTR 4 HH2 DTR 4 20.417 15.539 22.274
25 HZ3 DTR 4 HZ3 DTR 4 21.871 16.202 20.343
26 HE3 DTR 4 HE3 DTR 4 20.888 17.226 18.417
27 H GLU 5 HN GLU 5 21.562 20.687 18.312
28 HA GLU 5 HA GLU 5 23.260 18.339 17.918
29 1HB GLU 5 HB2 GLU 5 23.717 20.905 16.497
30 2HB GLU 5 HB1 GLU 5 25.148 20.385 17.271
31 1HG GLU 5 HG2 GLU 5 24.231 18.102 15.875
32 2HG GLU 5 HG1 GLU 5 23.792 19.424 14.872
33 HA PRO 6 HA PRO 6 24.413 19.113 21.892
34 1HB PRO 6 HB2 PRO 6 26.801 17.940 22.075
35 2HB PRO 6 HB1 PRO 6 25.469 17.010 21.420
36 1HG PRO 6 HG2 PRO 6 27.467 18.790 19.806
37 2HG PRO 6 HG1 PRO 6 27.205 17.075 19.496
38 1HD PRO 6 HD2 PRO 6 26.006 18.995 18.136
39 2HD PRO 6 HD1 PRO 6 25.001 17.567 18.556
40 H TRP 7 HN TRP 7 26.055 20.763 19.591
41 HA TRP 7 HA TRP 7 27.926 22.108 21.367
42 1HB TRP 7 HB2 TRP 7 28.787 22.977 19.251
43 2HB TRP 7 HB1 TRP 7 28.664 21.266 19.258
44 HD1 TRP 7 HD1 TRP 7 29.044 21.747 16.619
45 HE1 TRP 7 HE1 TRP 7 27.396 22.169 14.788
46 HE3 TRP 7 HE3 TRP 7 25.037 22.600 19.322
47 HZ2 TRP 7 HZ2 TRP 7 24.623 22.837 14.438
48 HZ3 TRP 7 HZ3 TRP 7 22.903 23.078 18.374
49 HH2 TRP 7 HH2 TRP 7 22.614 23.271 15.883
50 H CYS 8 HN CYS 8 24.908 22.646 21.187
51 HA CYS 8 HA CYS 8 24.230 25.224 20.462
52 1HB CYS 8 HB2 CYS 8 23.437 23.761 23.001
53 2HB CYS 8 HB1 CYS 8 22.687 25.247 22.467
54 1HN NH2 9 1HN NH2 9 26.121 24.415 23.345
55 2HN NH2 9 2HN NH2 9 26.504 26.030 23.771
Start of MODEL 10
1 1H GLY 1 1H GLY 1 18.736 27.297 16.292
2 2H GLY 1 2H GLY 1 17.099 26.900 16.538
3 3H GLY 1 3H GLY 1 18.296 25.719 16.688
4 1HA GLY 1 HA2 GLY 1 19.055 27.688 18.439
5 2HA GLY 1 HA1 GLY 1 17.327 27.363 18.738
6 H CYS 2 HN CYS 2 17.851 26.088 20.715
7 HA CYS 2 HA CYS 2 19.118 23.473 20.051
8 1HB CYS 2 HB2 CYS 2 18.946 24.524 22.851
9 2HB CYS 2 HB1 CYS 2 20.055 23.374 22.189
10 HA HYP 3 HA HYP 3 19.331 21.529 21.271
11 1HB HYP 3 1HB HYP 3 18.844 19.500 22.191
12 2HB HYP 3 2HB HYP 3 17.999 19.049 20.725
13 1HD HYP 3 1HD HYP 3 15.695 21.847 22.667
14 2HD HYP 3 2HD HYP 3 15.345 21.322 21.039
15 HOD HYP 3 HOD HYP 3 17.203 20.862 23.756
16 HG HYP 3 HG HYP 3 15.977 19.141 21.901
17 H DTR 4 HN DTR 4 19.588 19.440 19.675
18 HA DTR 4 HA DTR 4 19.153 20.432 16.885
19 1HB DTR 4 HB1 DTR 4 19.441 17.738 16.553
20 2HB DTR 4 HB2 DTR 4 17.861 18.427 16.821
21 HD1 DTR 4 HD1 DTR 4 16.588 17.471 18.972
22 HE1 DTR 4 HE1 DTR 4 17.384 16.148 20.940
23 HZ2 DTR 4 HZ2 DTR 4 19.836 15.100 22.107
24 HH2 DTR 4 HH2 DTR 4 22.271 15.082 21.614
25 HZ3 DTR 4 HZ3 DTR 4 23.109 16.244 19.557
26 HE3 DTR 4 HE3 DTR 4 21.551 17.344 18.060
27 H GLU 5 HN GLU 5 21.342 20.703 18.997
28 HA GLU 5 HA GLU 5 23.519 19.189 17.745
29 1HB GLU 5 HB2 GLU 5 23.122 22.136 17.580
30 2HB GLU 5 HB1 GLU 5 24.740 21.701 17.922
31 1HG GLU 5 HG2 GLU 5 24.025 20.020 15.735
32 2HG GLU 5 HG1 GLU 5 23.217 21.540 15.405
33 HA PRO 6 HA PRO 6 24.917 18.917 21.791
34 1HB PRO 6 HB2 PRO 6 27.442 18.197 21.413
35 2HB PRO 6 HB1 PRO 6 26.189 17.335 20.501
36 1HG PRO 6 HG2 PRO 6 27.776 19.860 19.545
37 2HG PRO 6 HG1 PRO 6 27.674 18.367 18.636
38 1HD PRO 6 HD2 PRO 6 26.103 20.523 18.242
39 2HD PRO 6 HD1 PRO 6 25.442 18.861 17.972
40 H TRP 7 HN TRP 7 25.959 21.458 20.060
41 HA TRP 7 HA TRP 7 27.911 22.508 21.966
42 1HB TRP 7 HB2 TRP 7 28.303 24.113 20.199
43 2HB TRP 7 HB1 TRP 7 28.335 22.452 19.597
44 HD1 TRP 7 HD1 TRP 7 28.137 23.993 17.355
45 HE1 TRP 7 HE1 TRP 7 26.069 24.725 16.079
46 HE3 TRP 7 HE3 TRP 7 24.632 22.937 20.677
47 HZ2 TRP 7 HZ2 TRP 7 23.265 24.879 16.424
48 HZ3 TRP 7 HZ3 TRP 7 22.321 23.309 20.269
49 HH2 TRP 7 HH2 TRP 7 21.531 24.288 18.108
50 H CYS 8 HN CYS 8 24.849 22.572 22.453
51 HA CYS 8 HA CYS 8 24.370 25.435 22.784
52 1HB CYS 8 HB2 CYS 8 22.630 23.490 22.511
53 2HB CYS 8 HB1 CYS 8 22.830 23.271 24.247
54 1HN NH2 9 1HN NH2 9 26.591 25.513 24.019
55 2HN NH2 9 2HN NH2 9 26.514 25.420 25.712
Start of MODEL 11
1 1H GLY 1 1H GLY 1 21.886 25.621 15.894
2 2H GLY 1 2H GLY 1 22.022 27.297 15.671
3 3H GLY 1 3H GLY 1 21.320 26.302 14.480
4 1HA GLY 1 HA2 GLY 1 19.974 27.561 16.624
5 2HA GLY 1 HA1 GLY 1 19.313 26.452 15.393
6 H CYS 2 HN CYS 2 18.772 26.504 18.380
7 HA CYS 2 HA CYS 2 19.599 23.695 18.908
8 1HB CYS 2 HB2 CYS 2 19.403 26.064 20.842
9 2HB CYS 2 HB1 CYS 2 19.524 24.388 21.352
10 HA HYP 3 HA HYP 3 18.915 22.145 20.415
11 1HB HYP 3 1HB HYP 3 17.716 20.414 21.314
12 2HB HYP 3 2HB HYP 3 16.950 20.134 19.815
13 1HD HYP 3 1HD HYP 3 15.526 23.801 20.922
14 2HD HYP 3 2HD HYP 3 15.149 22.989 19.396
15 HOD HYP 3 HOD HYP 3 16.542 21.303 22.806
16 HG HYP 3 HG HYP 3 14.944 21.030 20.848
17 H DTR 4 HN DTR 4 18.931 19.743 19.118
18 HA DTR 4 HA DTR 4 19.333 20.445 16.238
19 1HB DTR 4 HB1 DTR 4 18.832 17.770 16.143
20 2HB DTR 4 HB2 DTR 4 17.535 18.915 16.032
21 HD1 DTR 4 HD1 DTR 4 15.617 18.504 17.766
22 HE1 DTR 4 HE1 DTR 4 15.534 17.255 19.931
23 HZ2 DTR 4 HZ2 DTR 4 17.276 15.821 21.765
24 HH2 DTR 4 HH2 DTR 4 19.669 15.185 21.918
25 HZ3 DTR 4 HZ3 DTR 4 21.258 15.860 20.109
26 HE3 DTR 4 HE3 DTR 4 20.457 17.100 18.212
27 H GLU 5 HN GLU 5 21.373 20.488 18.463
28 HA GLU 5 HA GLU 5 22.933 18.073 17.822
29 1HB GLU 5 HB2 GLU 5 23.560 20.742 16.825
30 2HB GLU 5 HB1 GLU 5 24.951 20.067 17.558
31 1HG GLU 5 HG2 GLU 5 24.012 18.053 15.844
32 2HG GLU 5 HG1 GLU 5 23.544 19.464 15.014
33 HA PRO 6 HA PRO 6 24.343 18.284 21.926
34 1HB PRO 6 HB2 PRO 6 26.660 16.920 21.758
35 2HB PRO 6 HB1 PRO 6 25.211 16.195 21.085
36 1HG PRO 6 HG2 PRO 6 27.160 18.025 19.550
37 2HG PRO 6 HG1 PRO 6 26.845 16.367 19.066
38 1HD PRO 6 HD2 PRO 6 25.609 18.435 18.003
39 2HD PRO 6 HD1 PRO 6 24.566 17.034 18.403
40 H TRP 7 HN TRP 7 25.795 20.212 19.739
41 HA TRP 7 HA TRP 7 27.936 21.173 21.526
42 1HB TRP 7 HB2 TRP 7 28.814 22.197 19.491
43 2HB TRP 7 HB1 TRP 7 28.536 20.446 19.305
44 HD1 TRP 7 HD1 TRP 7 28.885 21.312 16.717
45 HE1 TRP 7 HE1 TRP 7 27.143 22.040 15.071
46 HE3 TRP 7 HE3 TRP 7 25.017 22.025 19.715
47 HZ2 TRP 7 HZ2 TRP 7 24.413 22.869 14.950
48 HZ3 TRP 7 HZ3 TRP 7 22.891 22.716 18.963
49 HH2 TRP 7 HH2 TRP 7 22.516 23.216 16.536
50 H CYS 8 HN CYS 8 25.017 21.909 21.701
51 HA CYS 8 HA CYS 8 24.808 24.708 21.308
52 1HB CYS 8 HB2 CYS 8 23.343 22.878 23.163
53 2HB CYS 8 HB1 CYS 8 22.942 24.545 23.077
54 1HN NH2 9 1HN NH2 9 27.060 25.287 22.192
55 2HN NH2 9 2HN NH2 9 27.212 25.579 23.791
Start of MODEL 12
1 1H GLY 1 1H GLY 1 21.002 28.264 18.793
2 2H GLY 1 2H GLY 1 20.282 29.268 17.637
3 3H GLY 1 3H GLY 1 21.953 28.968 17.583
4 1HA GLY 1 HA2 GLY 1 19.902 27.569 16.267
5 2HA GLY 1 HA1 GLY 1 21.597 27.201 16.317
6 H CYS 2 HN CYS 2 19.402 27.087 19.123
7 HA CYS 2 HA CYS 2 19.880 24.162 19.168
8 1HB CYS 2 HB2 CYS 2 19.963 26.125 21.487
9 2HB CYS 2 HB1 CYS 2 20.020 24.387 21.669
10 HA HYP 3 HA HYP 3 19.071 22.515 20.664
11 1HB HYP 3 1HB HYP 3 17.683 20.885 21.478
12 2HB HYP 3 2HB HYP 3 16.908 20.713 19.931
13 1HD HYP 3 1HD HYP 3 15.689 24.449 20.997
14 2HD HYP 3 2HD HYP 3 15.463 23.590 19.474
15 HOD HYP 3 HOD HYP 3 16.514 21.791 22.953
16 HG HYP 3 HG HYP 3 15.009 21.738 21.015
17 H DTR 4 HN DTR 4 19.003 20.246 19.363
18 HA DTR 4 HA DTR 4 19.356 20.885 16.472
19 1HB DTR 4 HB1 DTR 4 18.887 18.241 16.376
20 2HB DTR 4 HB2 DTR 4 17.554 19.360 16.408
21 HD1 DTR 4 HD1 DTR 4 15.792 18.903 18.282
22 HE1 DTR 4 HE1 DTR 4 15.868 17.550 20.370
23 HZ2 DTR 4 HZ2 DTR 4 17.719 15.994 21.981
24 HH2 DTR 4 HH2 DTR 4 20.102 15.332 21.949
25 HZ3 DTR 4 HZ3 DTR 4 21.577 16.105 20.076
26 HE3 DTR 4 HE3 DTR 4 20.646 17.461 18.310
27 H GLU 5 HN GLU 5 21.408 20.920 18.720
28 HA GLU 5 HA GLU 5 23.048 18.599 18.092
29 1HB GLU 5 HB2 GLU 5 23.619 21.317 17.044
30 2HB GLU 5 HB1 GLU 5 25.017 20.553 17.708
31 1HG GLU 5 HG2 GLU 5 23.933 18.561 16.012
32 2HG GLU 5 HG1 GLU 5 23.578 20.050 15.160
33 HA PRO 6 HA PRO 6 24.269 19.184 22.195
34 1HB PRO 6 HB2 PRO 6 26.439 17.645 22.310
35 2HB PRO 6 HB1 PRO 6 25.000 16.958 21.580
36 1HG PRO 6 HG2 PRO 6 27.281 18.480 20.089
37 2HG PRO 6 HG1 PRO 6 26.737 16.857 19.665
38 1HD PRO 6 HD2 PRO 6 25.895 19.136 18.458
39 2HD PRO 6 HD1 PRO 6 24.760 17.759 18.649
40 H TRP 7 HN TRP 7 26.079 20.656 19.907
41 HA TRP 7 HA TRP 7 28.240 21.586 21.663
42 1HB TRP 7 HB2 TRP 7 29.132 22.390 19.558
43 2HB TRP 7 HB1 TRP 7 28.676 20.703 19.485
44 HD1 TRP 7 HD1 TRP 7 29.004 21.396 16.881
45 HE1 TRP 7 HE1 TRP 7 27.313 22.251 15.218
46 HE3 TRP 7 HE3 TRP 7 25.311 22.584 19.916
47 HZ2 TRP 7 HZ2 TRP 7 24.678 23.344 15.127
48 HZ3 TRP 7 HZ3 TRP 7 23.224 23.450 19.193
49 HH2 TRP 7 HH2 TRP 7 22.861 23.906 16.745
50 H CYS 8 HN CYS 8 25.410 22.689 21.739
51 HA CYS 8 HA CYS 8 25.040 25.327 21.166
52 1HB CYS 8 HB2 CYS 8 24.421 23.906 23.752
53 2HB CYS 8 HB1 CYS 8 23.770 25.468 23.350
54 1HN NH2 9 1HN NH2 9 27.429 26.146 21.223
55 2HN NH2 9 2HN NH2 9 27.919 26.953 22.648
Start of MODEL 13
1 1H GLY 1 1H GLY 1 20.183 26.952 15.576
2 2H GLY 1 2H GLY 1 20.663 28.537 15.844
3 3H GLY 1 3H GLY 1 19.213 28.229 15.061
4 1HA GLY 1 HA2 GLY 1 19.653 28.546 17.802
5 2HA GLY 1 HA1 GLY 1 18.139 28.184 16.974
6 H CYS 2 HN CYS 2 18.279 26.990 19.289
7 HA CYS 2 HA CYS 2 19.157 24.168 18.762
8 1HB CYS 2 HB2 CYS 2 19.286 25.955 21.173
9 2HB CYS 2 HB1 CYS 2 19.033 24.266 21.441
10 HA HYP 3 HA HYP 3 18.813 22.394 20.550
11 1HB HYP 3 1HB HYP 3 17.815 20.616 21.587
12 2HB HYP 3 2HB HYP 3 17.046 20.118 20.100
13 1HD HYP 3 1HD HYP 3 15.076 23.594 20.889
14 2HD HYP 3 2HD HYP 3 15.020 22.550 19.427
15 HOD HYP 3 HOD HYP 3 16.371 21.336 23.054
16 HG HYP 3 HG HYP 3 15.008 20.822 21.163
17 H DTR 4 HN DTR 4 18.956 19.943 19.410
18 HA DTR 4 HA DTR 4 19.233 20.482 16.479
19 1HB DTR 4 HB1 DTR 4 18.963 17.839 16.494
20 2HB DTR 4 HB2 DTR 4 17.524 18.866 16.562
21 HD1 DTR 4 HD1 DTR 4 15.954 18.278 18.572
22 HE1 DTR 4 HE1 DTR 4 16.263 16.999 20.670
23 HZ2 DTR 4 HZ2 DTR 4 18.313 15.614 22.181
24 HH2 DTR 4 HH2 DTR 4 20.746 15.144 22.017
25 HZ3 DTR 4 HZ3 DTR 4 22.037 15.985 20.035
26 HE3 DTR 4 HE3 DTR 4 20.897 17.244 18.288
27 H GLU 5 HN GLU 5 21.327 20.574 18.810
28 HA GLU 5 HA GLU 5 23.151 18.453 17.970
29 1HB GLU 5 HB2 GLU 5 23.453 21.283 17.107
30 2HB GLU 5 HB1 GLU 5 24.911 20.726 17.799
31 1HG GLU 5 HG2 GLU 5 24.030 18.727 15.889
32 2HG GLU 5 HG1 GLU 5 23.766 20.272 15.154
33 HA PRO 6 HA PRO 6 24.244 18.673 22.103
34 1HB PRO 6 HB2 PRO 6 26.716 17.671 22.150
35 2HB PRO 6 HB1 PRO 6 25.474 16.757 21.310
36 1HG PRO 6 HG2 PRO 6 27.364 18.912 20.063
37 2HG PRO 6 HG1 PRO 6 27.218 17.260 19.451
38 1HD PRO 6 HD2 PRO 6 25.928 19.360 18.458
39 2HD PRO 6 HD1 PRO 6 25.045 17.811 18.488
40 H TRP 7 HN TRP 7 25.773 20.761 20.104
41 HA TRP 7 HA TRP 7 27.526 22.003 22.087
42 1HB TRP 7 HB2 TRP 7 28.362 23.183 20.157
43 2HB TRP 7 HB1 TRP 7 28.308 21.452 19.875
44 HD1 TRP 7 HD1 TRP 7 28.679 22.466 17.376
45 HE1 TRP 7 HE1 TRP 7 26.980 23.141 15.628
46 HE3 TRP 7 HE3 TRP 7 24.623 22.531 20.139
47 HZ2 TRP 7 HZ2 TRP 7 24.171 23.633 15.385
48 HZ3 TRP 7 HZ3 TRP 7 22.458 23.036 19.281
49 HH2 TRP 7 HH2 TRP 7 22.165 23.662 16.862
50 H CYS 8 HN CYS 8 24.484 22.376 22.053
51 HA CYS 8 HA CYS 8 23.763 25.046 21.612
52 1HB CYS 8 HB2 CYS 8 22.888 23.170 23.836
53 2HB CYS 8 HB1 CYS 8 22.145 24.715 23.544
54 1HN NH2 9 1HN NH2 9 25.189 26.706 22.218
55 2HN NH2 9 2HN NH2 9 25.697 27.008 23.833
Start of MODEL 14
1 1H GLY 1 1H GLY 1 19.765 27.201 14.845
2 2H GLY 1 2H GLY 1 18.101 27.372 15.090
3 3H GLY 1 3H GLY 1 18.797 25.865 15.305
4 1HA GLY 1 HA2 GLY 1 20.069 27.710 16.957
5 2HA GLY 1 HA1 GLY 1 18.332 27.800 17.175
6 H CYS 2 HN CYS 2 18.642 26.737 19.266
7 HA CYS 2 HA CYS 2 19.197 23.809 19.063
8 1HB CYS 2 HB2 CYS 2 19.407 25.754 21.405
9 2HB CYS 2 HB1 CYS 2 19.630 24.044 21.560
10 HA HYP 3 HA HYP 3 18.811 22.187 20.943
11 1HB HYP 3 1HB HYP 3 17.666 20.626 22.160
12 2HB HYP 3 2HB HYP 3 16.998 20.013 20.655
13 1HD HYP 3 1HD HYP 3 15.619 23.644 22.027
14 2HD HYP 3 2HD HYP 3 14.939 23.245 20.451
15 HOD HYP 3 HOD HYP 3 16.083 20.777 23.359
16 HG HYP 3 HG HYP 3 14.905 20.949 21.063
17 H DTR 4 HN DTR 4 18.986 19.927 19.911
18 HA DTR 4 HA DTR 4 18.997 20.218 16.961
19 1HB DTR 4 HB1 DTR 4 18.711 17.605 17.108
20 2HB DTR 4 HB2 DTR 4 17.302 18.609 17.275
21 HD1 DTR 4 HD1 DTR 4 15.843 18.070 19.349
22 HE1 DTR 4 HE1 DTR 4 16.277 16.847 21.483
23 HZ2 DTR 4 HZ2 DTR 4 18.393 15.572 22.951
24 HH2 DTR 4 HH2 DTR 4 20.820 15.126 22.712
25 HZ3 DTR 4 HZ3 DTR 4 22.036 15.905 20.665
26 HE3 DTR 4 HE3 DTR 4 20.821 17.055 18.959
27 H GLU 5 HN GLU 5 21.215 20.663 18.979
28 HA GLU 5 HA GLU 5 22.995 18.440 18.338
29 1HB GLU 5 HB2 GLU 5 23.256 21.142 17.196
30 2HB GLU 5 HB1 GLU 5 24.712 20.710 18.032
31 1HG GLU 5 HG2 GLU 5 25.325 19.753 16.128
32 2HG GLU 5 HG1 GLU 5 24.161 18.460 16.444
33 HA PRO 6 HA PRO 6 24.474 19.007 22.334
34 1HB PRO 6 HB2 PRO 6 26.853 17.836 22.226
35 2HB PRO 6 HB1 PRO 6 25.453 16.939 21.566
36 1HG PRO 6 HG2 PRO 6 27.326 18.885 19.980
37 2HG PRO 6 HG1 PRO 6 27.068 17.192 19.541
38 1HD PRO 6 HD2 PRO 6 25.743 19.252 18.469
39 2HD PRO 6 HD1 PRO 6 24.843 17.740 18.763
40 H TRP 7 HN TRP 7 25.875 20.860 19.949
41 HA TRP 7 HA TRP 7 27.987 21.972 21.686
42 1HB TRP 7 HB2 TRP 7 28.575 23.184 19.621
43 2HB TRP 7 HB1 TRP 7 28.540 21.461 19.466
44 HD1 TRP 7 HD1 TRP 7 28.579 22.107 16.876
45 HE1 TRP 7 HE1 TRP 7 26.741 22.639 15.300
46 HE3 TRP 7 HE3 TRP 7 24.874 22.745 20.089
47 HZ2 TRP 7 HZ2 TRP 7 23.967 23.227 15.294
48 HZ3 TRP 7 HZ3 TRP 7 22.639 23.208 19.351
49 HH2 TRP 7 HH2 TRP 7 22.109 23.521 16.940
50 H CYS 8 HN CYS 8 25.036 22.559 22.042
51 HA CYS 8 HA CYS 8 24.785 25.434 21.754
52 1HB CYS 8 HB2 CYS 8 23.344 23.666 23.760
53 2HB CYS 8 HB1 CYS 8 22.829 25.232 23.222
54 1HN NH2 9 1HN NH2 9 26.938 23.825 23.692
55 2HN NH2 9 2HN NH2 9 27.095 24.958 24.933
Start of MODEL 15
1 1H GLY 1 1H GLY 1 18.535 28.907 17.911
2 2H GLY 1 2H GLY 1 18.734 28.208 19.459
3 3H GLY 1 3H GLY 1 17.249 28.879 18.974
4 1HA GLY 1 HA2 GLY 1 16.613 26.908 18.119
5 2HA GLY 1 HA1 GLY 1 18.029 26.941 17.102
6 H CYS 2 HN CYS 2 16.873 25.983 20.349
7 HA CYS 2 HA CYS 2 18.919 23.842 20.355
8 1HB CYS 2 HB2 CYS 2 18.230 25.673 22.708
9 2HB CYS 2 HB1 CYS 2 19.150 24.211 22.841
10 HA HYP 3 HA HYP 3 19.184 21.922 21.565
11 1HB HYP 3 1HB HYP 3 18.798 19.881 22.516
12 2HB HYP 3 2HB HYP 3 18.076 19.333 21.008
13 1HD HYP 3 1HD HYP 3 15.775 22.020 23.141
14 2HD HYP 3 2HD HYP 3 15.145 21.574 21.540
15 HOD HYP 3 HOD HYP 3 17.430 19.242 23.861
16 HG HYP 3 HG HYP 3 15.941 19.381 21.899
17 H DTR 4 HN DTR 4 19.530 19.779 19.933
18 HA DTR 4 HA DTR 4 19.075 20.787 17.167
19 1HB DTR 4 HB1 DTR 4 19.296 18.133 16.773
20 2HB DTR 4 HB2 DTR 4 17.746 18.827 17.176
21 HD1 DTR 4 HD1 DTR 4 16.613 17.811 19.364
22 HE1 DTR 4 HE1 DTR 4 17.508 16.357 21.187
23 HZ2 DTR 4 HZ2 DTR 4 19.977 15.174 22.127
24 HH2 DTR 4 HH2 DTR 4 22.362 15.121 21.445
25 HZ3 DTR 4 HZ3 DTR 4 23.124 16.371 19.425
26 HE3 DTR 4 HE3 DTR 4 21.500 17.598 18.108
27 H GLU 5 HN GLU 5 21.370 21.095 19.118
28 HA GLU 5 HA GLU 5 23.489 19.566 17.775
29 1HB GLU 5 HB2 GLU 5 23.153 22.518 17.713
30 2HB GLU 5 HB1 GLU 5 24.765 22.057 18.002
31 1HG GLU 5 HG2 GLU 5 24.116 20.515 15.744
32 2HG GLU 5 HG1 GLU 5 23.107 21.951 15.521
33 HA PRO 6 HA PRO 6 24.772 19.096 21.818
34 1HB PRO 6 HB2 PRO 6 27.321 18.356 21.508
35 2HB PRO 6 HB1 PRO 6 26.111 17.548 20.493
36 1HG PRO 6 HG2 PRO 6 27.707 20.134 19.738
37 2HG PRO 6 HG1 PRO 6 27.690 18.671 18.774
38 1HD PRO 6 HD2 PRO 6 26.063 20.775 18.327
39 2HD PRO 6 HD1 PRO 6 25.425 19.140 18.063
40 H TRP 7 HN TRP 7 25.873 21.707 20.267
41 HA TRP 7 HA TRP 7 27.716 22.640 22.345
42 1HB TRP 7 HB2 TRP 7 28.194 24.332 20.664
43 2HB TRP 7 HB1 TRP 7 28.272 22.708 19.989
44 HD1 TRP 7 HD1 TRP 7 28.206 24.366 17.810
45 HE1 TRP 7 HE1 TRP 7 26.212 25.210 16.475
46 HE3 TRP 7 HE3 TRP 7 24.506 23.157 20.879
47 HZ2 TRP 7 HZ2 TRP 7 23.418 25.337 16.635
48 HZ3 TRP 7 HZ3 TRP 7 22.227 23.529 20.327
49 HH2 TRP 7 HH2 TRP 7 21.579 24.687 18.192
50 H CYS 8 HN CYS 8 24.602 22.734 22.606
51 HA CYS 8 HA CYS 8 24.291 25.607 23.188
52 1HB CYS 8 HB2 CYS 8 22.398 23.906 22.451
53 2HB CYS 8 HB1 CYS 8 22.338 23.493 24.154
54 1HN NH2 9 1HN NH2 9 26.354 25.185 24.621
55 2HN NH2 9 2HN NH2 9 26.070 24.869 26.252
Start of MODEL 16
1 1H GLY 1 1H GLY 1 16.219 15.419 23.973
2 2H GLY 1 2H GLY 1 17.310 16.653 24.167
3 3H GLY 1 3H GLY 1 17.737 15.068 24.644
4 1HA GLY 1 HA2 GLY 1 18.640 14.798 22.586
5 2HA GLY 1 HA1 GLY 1 17.011 14.999 21.906
6 H CYS 2 HN CYS 2 17.915 16.397 20.152
7 HA CYS 2 HA CYS 2 18.804 19.080 21.120
8 1HB CYS 2 HB2 CYS 2 19.171 18.006 18.309
9 2HB CYS 2 HB1 CYS 2 20.033 19.313 19.068
10 HA HYP 3 HA HYP 3 18.824 21.158 19.525
11 1HB HYP 3 1HB HYP 3 17.715 22.871 18.511
12 2HB HYP 3 2HB HYP 3 17.364 23.457 20.131
13 1HD HYP 3 1HD HYP 3 15.367 20.365 18.250
14 2HD HYP 3 2HD HYP 3 14.850 20.368 19.938
15 HOD HYP 3 HOD HYP 3 15.929 22.365 17.394
16 HG HYP 3 HG HYP 3 15.168 22.716 20.117
17 H DTR 4 HN DTR 4 19.160 23.131 20.943
18 HA DTR 4 HA DTR 4 18.936 22.338 23.807
19 1HB DTR 4 HB1 DTR 4 18.991 24.979 24.064
20 2HB DTR 4 HB2 DTR 4 17.483 24.209 23.623
21 HD1 DTR 4 HD1 DTR 4 16.310 25.299 21.545
22 HE1 DTR 4 HE1 DTR 4 17.162 26.753 19.672
23 HZ2 DTR 4 HZ2 DTR 4 19.557 27.844 18.617
24 HH2 DTR 4 HH2 DTR 4 21.980 27.872 19.116
25 HZ3 DTR 4 HZ3 DTR 4 22.836 26.617 21.106
26 HE3 DTR 4 HE3 DTR 4 21.298 25.425 22.531
27 H GLU 5 HN GLU 5 21.239 22.083 21.711
28 HA GLU 5 HA GLU 5 23.228 23.854 22.910
29 1HB GLU 5 HB2 GLU 5 23.194 20.897 23.320
30 2HB GLU 5 HB1 GLU 5 24.699 21.592 23.419
31 1HG GLU 5 HG2 GLU 5 23.141 23.268 25.088
32 2HG GLU 5 HG1 GLU 5 22.419 21.669 25.321
33 HA PRO 6 HA PRO 6 24.992 23.834 19.013
34 1HB PRO 6 HB2 PRO 6 27.371 24.873 19.528
35 2HB PRO 6 HB1 PRO 6 25.938 25.668 20.261
36 1HG PRO 6 HG2 PRO 6 27.720 23.436 21.542
37 2HG PRO 6 HG1 PRO 6 27.344 24.965 22.309
38 1HD PRO 6 HD2 PRO 6 26.055 22.630 22.727
39 2HD PRO 6 HD1 PRO 6 25.184 24.176 22.903
40 H TRP 7 HN TRP 7 26.004 21.552 21.027
41 HA TRP 7 HA TRP 7 28.227 20.492 19.413
42 1HB TRP 7 HB2 TRP 7 28.605 19.164 21.409
43 2HB TRP 7 HB1 TRP 7 28.482 20.862 21.790
44 HD1 TRP 7 HD1 TRP 7 28.332 19.646 24.218
45 HE1 TRP 7 HE1 TRP 7 26.330 18.872 25.510
46 HE3 TRP 7 HE3 TRP 7 24.917 19.843 20.702
47 HZ2 TRP 7 HZ2 TRP 7 23.525 18.349 25.140
48 HZ3 TRP 7 HZ3 TRP 7 22.606 19.258 21.056
49 HH2 TRP 7 HH2 TRP 7 21.861 18.450 23.304
50 H CYS 8 HN CYS 8 25.235 20.273 18.834
51 HA CYS 8 HA CYS 8 24.926 17.373 18.556
52 1HB CYS 8 HB2 CYS 8 23.026 19.147 19.077
53 2HB CYS 8 HB1 CYS 8 23.058 19.414 17.346
54 1HN NH2 9 1HN NH2 9 26.377 19.806 16.737
55 2HN NH2 9 2HN NH2 9 26.322 19.040 15.243
Start of MODEL 17
1 1H GLY 1 1H GLY 1 19.570 27.869 19.123
2 2H GLY 1 2H GLY 1 18.206 28.833 18.890
3 3H GLY 1 3H GLY 1 19.224 28.546 17.591
4 1HA GLY 1 HA2 GLY 1 16.990 27.063 18.375
5 2HA GLY 1 HA1 GLY 1 18.092 26.740 17.033
6 H CYS 2 HN CYS 2 17.292 25.890 20.336
7 HA CYS 2 HA CYS 2 19.254 23.637 20.200
8 1HB CYS 2 HB2 CYS 2 18.457 25.164 22.701
9 2HB CYS 2 HB1 CYS 2 19.611 23.861 22.598
10 HA HYP 3 HA HYP 3 19.537 21.686 21.331
11 1HB HYP 3 1HB HYP 3 19.166 19.616 22.255
12 2HB HYP 3 2HB HYP 3 18.525 19.068 20.754
13 1HD HYP 3 1HD HYP 3 15.731 21.629 22.362
14 2HD HYP 3 2HD HYP 3 15.667 21.037 20.689
15 HOD HYP 3 HOD HYP 3 17.254 20.846 23.636
16 HG HYP 3 HG HYP 3 16.392 18.960 21.716
17 H DTR 4 HN DTR 4 19.987 19.510 19.733
18 HA DTR 4 HA DTR 4 19.677 20.504 16.940
19 1HB DTR 4 HB1 DTR 4 19.874 17.829 16.564
20 2HB DTR 4 HB2 DTR 4 18.323 18.560 16.907
21 HD1 DTR 4 HD1 DTR 4 17.055 17.491 18.966
22 HE1 DTR 4 HE1 DTR 4 17.846 16.127 20.909
23 HZ2 DTR 4 HZ2 DTR 4 20.264 15.075 22.092
24 HH2 DTR 4 HH2 DTR 4 22.697 15.075 21.624
25 HZ3 DTR 4 HZ3 DTR 4 23.596 16.282 19.628
26 HE3 DTR 4 HE3 DTR 4 22.063 17.404 18.141
27 H GLU 5 HN GLU 5 21.926 20.817 18.977
28 HA GLU 5 HA GLU 5 24.072 19.201 17.756
29 1HB GLU 5 HB2 GLU 5 23.741 22.162 17.465
30 2HB GLU 5 HB1 GLU 5 25.311 21.767 17.947
31 1HG GLU 5 HG2 GLU 5 24.459 20.096 15.660
32 2HG GLU 5 HG1 GLU 5 24.266 21.780 15.277
33 HA PRO 6 HA PRO 6 25.303 18.911 21.833
34 1HB PRO 6 HB2 PRO 6 27.925 18.355 21.607
35 2HB PRO 6 HB1 PRO 6 26.804 17.428 20.637
36 1HG PRO 6 HG2 PRO 6 28.219 20.084 19.783
37 2HG PRO 6 HG1 PRO 6 28.338 18.569 18.875
38 1HD PRO 6 HD2 PRO 6 26.608 20.495 18.291
39 2HD PRO 6 HD1 PRO 6 26.047 18.826 18.128
40 H TRP 7 HN TRP 7 26.330 21.549 20.290
41 HA TRP 7 HA TRP 7 27.993 22.654 22.432
42 1HB TRP 7 HB2 TRP 7 28.452 24.324 20.741
43 2HB TRP 7 HB1 TRP 7 28.673 22.684 20.106
44 HD1 TRP 7 HD1 TRP 7 28.617 24.322 17.890
45 HE1 TRP 7 HE1 TRP 7 26.637 24.980 16.425
46 HE3 TRP 7 HE3 TRP 7 24.824 22.884 20.778
47 HZ2 TRP 7 HZ2 TRP 7 23.822 24.929 16.442
48 HZ3 TRP 7 HZ3 TRP 7 22.546 23.096 20.096
49 HH2 TRP 7 HH2 TRP 7 21.959 24.156 17.908
50 H CYS 8 HN CYS 8 24.861 22.588 22.493
51 HA CYS 8 HA CYS 8 24.460 25.442 23.040
52 1HB CYS 8 HB2 CYS 8 22.633 24.063 22.009
53 2HB CYS 8 HB1 CYS 8 22.448 23.249 23.549
54 1HN NH2 9 1HN NH2 9 23.820 26.344 25.086
55 2HN NH2 9 2HN NH2 9 24.172 25.542 26.570
Start of MODEL 18
1 1H GLY 1 1H GLY 1 19.337 26.911 14.274
2 2H GLY 1 2H GLY 1 18.015 27.337 15.253
3 3H GLY 1 3H GLY 1 18.639 25.783 15.315
4 1HA GLY 1 HA2 GLY 1 20.762 27.487 15.918
5 2HA GLY 1 HA1 GLY 1 19.350 27.945 16.924
6 H CYS 2 HN CYS 2 19.338 26.709 18.804
7 HA CYS 2 HA CYS 2 20.333 23.892 18.671
8 1HB CYS 2 HB2 CYS 2 19.669 25.481 21.169
9 2HB CYS 2 HB1 CYS 2 20.674 24.074 21.075
10 HA HYP 3 HA HYP 3 19.906 22.193 20.397
11 1HB HYP 3 1HB HYP 3 18.873 20.481 21.520
12 2HB HYP 3 2HB HYP 3 18.238 19.864 20.008
13 1HD HYP 3 1HD HYP 3 16.292 23.419 20.898
14 2HD HYP 3 2HD HYP 3 16.034 22.558 19.384
15 HOD HYP 3 HOD HYP 3 15.952 21.167 22.661
16 HG HYP 3 HG HYP 3 16.080 20.556 20.658
17 H DTR 4 HN DTR 4 20.035 19.751 19.226
18 HA DTR 4 HA DTR 4 20.140 20.286 16.286
19 1HB DTR 4 HB1 DTR 4 20.020 17.591 16.389
20 2HB DTR 4 HB2 DTR 4 18.561 18.538 16.447
21 HD1 DTR 4 HD1 DTR 4 16.988 17.873 18.454
22 HE1 DTR 4 HE1 DTR 4 17.429 16.746 20.667
23 HZ2 DTR 4 HZ2 DTR 4 19.559 15.749 22.251
24 HH2 DTR 4 HH2 DTR 4 22.035 15.507 22.146
25 HZ3 DTR 4 HZ3 DTR 4 23.253 16.322 20.131
26 HE3 DTR 4 HE3 DTR 4 22.041 17.320 18.311
27 H GLU 5 HN GLU 5 22.310 20.690 18.412
28 HA GLU 5 HA GLU 5 24.238 18.601 17.676
29 1HB GLU 5 HB2 GLU 5 24.396 21.419 16.688
30 2HB GLU 5 HB1 GLU 5 25.864 20.908 17.408
31 1HG GLU 5 HG2 GLU 5 25.171 18.827 15.597
32 2HG GLU 5 HG1 GLU 5 24.766 20.302 14.772
33 HA PRO 6 HA PRO 6 25.317 19.128 21.803
34 1HB PRO 6 HB2 PRO 6 27.775 18.078 21.874
35 2HB PRO 6 HB1 PRO 6 26.476 17.149 21.076
36 1HG PRO 6 HG2 PRO 6 28.437 19.148 19.708
37 2HG PRO 6 HG1 PRO 6 28.209 17.491 19.191
38 1HD PRO 6 HD2 PRO 6 26.977 19.624 18.112
39 2HD PRO 6 HD1 PRO 6 26.099 18.066 18.195
40 H TRP 7 HN TRP 7 26.902 21.005 19.638
41 HA TRP 7 HA TRP 7 28.739 22.350 21.450
42 1HB TRP 7 HB2 TRP 7 29.550 23.308 19.390
43 2HB TRP 7 HB1 TRP 7 29.377 21.590 19.233
44 HD1 TRP 7 HD1 TRP 7 29.670 22.506 16.676
45 HE1 TRP 7 HE1 TRP 7 27.882 23.096 14.989
46 HE3 TRP 7 HE3 TRP 7 25.716 22.822 19.617
47 HZ2 TRP 7 HZ2 TRP 7 25.111 23.704 14.837
48 HZ3 TRP 7 HZ3 TRP 7 23.534 23.350 18.826
49 HH2 TRP 7 HH2 TRP 7 23.153 23.845 16.385
50 H CYS 8 HN CYS 8 25.777 22.772 21.561
51 HA CYS 8 HA CYS 8 25.245 25.526 20.944
52 1HB CYS 8 HB2 CYS 8 23.492 23.725 21.512
53 2HB CYS 8 HB1 CYS 8 23.984 23.903 23.197
54 1HN NH2 9 1HN NH2 9 25.324 27.355 22.425
55 2HN NH2 9 2HN NH2 9 26.346 27.345 23.790
Start of MODEL 19
1 1H GLY 1 1H GLY 1 15.200 26.094 17.560
2 2H GLY 1 2H GLY 1 15.837 24.524 17.568
3 3H GLY 1 3H GLY 1 15.873 25.425 16.177
4 1HA GLY 1 HA2 GLY 1 17.857 26.214 16.668
5 2HA GLY 1 HA1 GLY 1 17.213 26.904 18.171
6 H CYS 2 HN CYS 2 17.190 25.545 20.081
7 HA CYS 2 HA CYS 2 18.909 23.112 19.863
8 1HB CYS 2 HB2 CYS 2 18.603 24.975 22.233
9 2HB CYS 2 HB1 CYS 2 19.713 23.645 22.093
10 HA HYP 3 HA HYP 3 19.249 21.303 21.167
11 1HB HYP 3 1HB HYP 3 18.877 19.402 22.346
12 2HB HYP 3 2HB HYP 3 18.193 18.698 20.926
13 1HD HYP 3 1HD HYP 3 15.666 21.472 22.681
14 2HD HYP 3 2HD HYP 3 15.275 20.888 21.051
15 HOD HYP 3 HOD HYP 3 16.874 20.462 23.858
16 HG HYP 3 HG HYP 3 16.043 18.748 21.801
17 H DTR 4 HN DTR 4 19.554 19.084 19.758
18 HA DTR 4 HA DTR 4 19.182 19.801 16.905
19 1HB DTR 4 HB1 DTR 4 19.296 17.081 16.824
20 2HB DTR 4 HB2 DTR 4 17.751 17.888 16.999
21 HD1 DTR 4 HD1 DTR 4 16.352 17.184 19.131
22 HE1 DTR 4 HE1 DTR 4 16.995 16.048 21.268
23 HZ2 DTR 4 HZ2 DTR 4 19.301 15.045 22.686
24 HH2 DTR 4 HH2 DTR 4 21.747 14.866 22.342
25 HZ3 DTR 4 HZ3 DTR 4 22.779 15.757 20.249
26 HE3 DTR 4 HE3 DTR 4 21.371 16.737 18.542
27 H GLU 5 HN GLU 5 21.318 20.301 18.913
28 HA GLU 5 HA GLU 5 23.407 18.427 18.078
29 1HB GLU 5 HB2 GLU 5 23.172 21.199 17.153
30 2HB GLU 5 HB1 GLU 5 24.707 20.922 17.895
31 1HG GLU 5 HG2 GLU 5 25.342 20.319 15.854
32 2HG GLU 5 HG1 GLU 5 24.564 18.762 16.183
33 HA PRO 6 HA PRO 6 24.778 18.872 22.138
34 1HB PRO 6 HB2 PRO 6 27.305 18.054 21.945
35 2HB PRO 6 HB1 PRO 6 26.043 17.054 21.173
36 1HG PRO 6 HG2 PRO 6 27.642 19.354 19.812
37 2HG PRO 6 HG1 PRO 6 27.608 17.700 19.218
38 1HD PRO 6 HD2 PRO 6 26.012 19.663 18.302
39 2HD PRO 6 HD1 PRO 6 25.337 18.008 18.447
40 H TRP 7 HN TRP 7 25.884 21.095 19.959
41 HA TRP 7 HA TRP 7 27.838 22.387 21.736
42 1HB TRP 7 HB2 TRP 7 28.171 23.801 19.737
43 2HB TRP 7 HB1 TRP 7 28.420 22.104 19.447
44 HD1 TRP 7 HD1 TRP 7 28.279 22.965 16.902
45 HE1 TRP 7 HE1 TRP 7 26.326 23.354 15.388
46 HE3 TRP 7 HE3 TRP 7 24.627 22.754 20.195
47 HZ2 TRP 7 HZ2 TRP 7 23.504 23.493 15.458
48 HZ3 TRP 7 HZ3 TRP 7 22.289 22.975 19.579
49 HH2 TRP 7 HH2 TRP 7 21.675 23.397 17.181
50 H CYS 8 HN CYS 8 24.750 22.555 22.005
51 HA CYS 8 HA CYS 8 24.524 25.493 22.156
52 1HB CYS 8 HB2 CYS 8 22.615 23.824 21.530
53 2HB CYS 8 HB1 CYS 8 22.446 23.612 23.245
54 1HN NH2 9 1HN NH2 9 24.182 26.653 24.177
55 2HN NH2 9 2HN NH2 9 24.670 25.987 25.663
Start of MODEL 20
1 1H GLY 1 1H GLY 1 18.165 15.566 25.709
2 2H GLY 1 2H GLY 1 16.605 16.135 25.490
3 3H GLY 1 3H GLY 1 17.914 17.221 25.446
4 1HA GLY 1 HA2 GLY 1 18.466 15.260 23.562
5 2HA GLY 1 HA1 GLY 1 16.782 15.771 23.318
6 H CYS 2 HN CYS 2 17.473 16.904 21.346
7 HA CYS 2 HA CYS 2 18.900 19.462 21.899
8 1HB CYS 2 HB2 CYS 2 18.591 18.047 19.218
9 2HB CYS 2 HB1 CYS 2 19.655 19.379 19.573
10 HA HYP 3 HA HYP 3 18.908 21.424 20.290
11 1HB HYP 3 1HB HYP 3 18.119 23.342 19.351
12 2HB HYP 3 2HB HYP 3 17.629 23.900 20.963
13 1HD HYP 3 1HD HYP 3 15.275 20.882 19.358
14 2HD HYP 3 2HD HYP 3 14.937 21.307 21.013
15 HOD HYP 3 HOD HYP 3 15.126 23.500 18.348
16 HG HYP 3 HG HYP 3 15.378 23.580 20.428
17 H DTR 4 HN DTR 4 19.397 23.563 21.707
18 HA DTR 4 HA DTR 4 19.375 22.775 24.573
19 1HB DTR 4 HB1 DTR 4 19.667 25.416 24.762
20 2HB DTR 4 HB2 DTR 4 18.088 24.759 24.519
21 HD1 DTR 4 HD1 DTR 4 16.791 25.983 22.644
22 HE1 DTR 4 HE1 DTR 4 17.515 27.214 20.584
23 HZ2 DTR 4 HZ2 DTR 4 19.818 27.927 19.113
24 HH2 DTR 4 HH2 DTR 4 22.276 27.621 19.212
25 HZ3 DTR 4 HZ3 DTR 4 23.296 26.353 21.107
26 HE3 DTR 4 HE3 DTR 4 21.877 25.470 22.810
27 H GLU 5 HN GLU 5 21.468 22.239 22.380
28 HA GLU 5 HA GLU 5 23.673 23.909 23.318
29 1HB GLU 5 HB2 GLU 5 23.473 20.956 23.767
30 2HB GLU 5 HB1 GLU 5 25.034 21.608 23.859
31 1HG GLU 5 HG2 GLU 5 23.884 23.282 25.643
32 2HG GLU 5 HG1 GLU 5 22.601 22.072 25.608
33 HA PRO 6 HA PRO 6 25.032 23.663 19.288
34 1HB PRO 6 HB2 PRO 6 27.487 24.578 19.543
35 2HB PRO 6 HB1 PRO 6 26.196 25.441 20.415
36 1HG PRO 6 HG2 PRO 6 27.962 23.102 21.525
37 2HG PRO 6 HG1 PRO 6 27.782 24.681 22.311
38 1HD PRO 6 HD2 PRO 6 26.362 22.436 22.905
39 2HD PRO 6 HD1 PRO 6 25.640 24.053 23.122
40 H TRP 7 HN TRP 7 26.064 21.339 21.238
41 HA TRP 7 HA TRP 7 28.061 20.126 19.482
42 1HB TRP 7 HB2 TRP 7 28.498 18.782 21.457
43 2HB TRP 7 HB1 TRP 7 28.573 20.478 21.806
44 HD1 TRP 7 HD1 TRP 7 28.522 19.341 24.287
45 HE1 TRP 7 HE1 TRP 7 26.555 18.796 25.754
46 HE3 TRP 7 HE3 TRP 7 24.848 19.726 21.023
47 HZ2 TRP 7 HZ2 TRP 7 23.722 18.467 25.627
48 HZ3 TRP 7 HZ3 TRP 7 22.531 19.324 21.606
49 HH2 TRP 7 HH2 TRP 7 21.901 18.656 23.938
50 H CYS 8 HN CYS 8 24.988 20.047 19.195
51 HA CYS 8 HA CYS 8 24.550 17.130 18.987
52 1HB CYS 8 HB2 CYS 8 22.759 18.990 19.576
53 2HB CYS 8 HB1 CYS 8 22.683 19.238 17.862
54 1HN NH2 9 1HN NH2 9 25.498 19.765 16.915
55 2HN NH2 9 2HN NH2 9 25.549 18.872 15.475
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