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 |
|
|
572678 |
2m7r   |
19202 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H1 GLY 1 27.191 -3.349 0.442
2 H2 GLY 1 H2 GLY 1 26.236 -2.071 -0.145
3 H3 GLY 1 H3 GLY 1 27.799 -1.766 0.442
4 HA2 GLY 1 HA2 GLY 1 27.462 -1.838 -2.079
5 HA3 GLY 1 HA3 GLY 1 28.836 -2.705 -1.387
6 H GLU 2 H GLU 2 26.505 -3.016 -3.614
7 HA GLU 2 HA GLU 2 25.399 -5.585 -3.114
8 HB2 GLU 2 HB2 GLU 2 25.824 -4.077 -5.704
9 HB3 GLU 2 HB3 GLU 2 24.873 -5.554 -5.551
10 HG2 GLU 2 HG2 GLU 2 24.338 -3.048 -3.940
11 HG3 GLU 2 HG3 GLU 2 23.513 -3.429 -5.451
12 H CGU 3 H CGU 3 28.339 -4.476 -4.713
13 HA CGU 3 HA CGU 3 29.035 -7.112 -5.678
14 HB2 CGU 3 HB2 CGU 3 31.320 -5.800 -5.986
15 HB3 CGU 3 HB3 CGU 3 29.955 -5.520 -7.068
16 HG CGU 3 HG CGU 3 30.216 -3.916 -4.546
17 H CGU 4 H CGU 4 29.471 -5.292 -2.785
18 HA CGU 4 HA CGU 4 31.777 -6.792 -1.869
19 HB2 CGU 4 HB2 CGU 4 29.972 -4.994 -0.241
20 HB3 CGU 4 HB3 CGU 4 31.635 -5.464 0.117
21 HG CGU 4 HG CGU 4 30.725 -3.795 -2.240
22 H TYR 5 H TYR 5 28.543 -7.471 -2.170
23 HA TYR 5 HA TYR 5 27.885 -8.715 0.272
24 HB2 TYR 5 HB2 TYR 5 26.195 -8.216 -1.420
25 HB3 TYR 5 HB3 TYR 5 26.951 -9.355 -2.536
26 HD1 TYR 5 HD1 TYR 5 25.351 -9.115 0.832
27 HD2 TYR 5 HD2 TYR 5 26.414 -11.652 -2.468
28 HE1 TYR 5 HE1 TYR 5 24.049 -10.971 1.838
29 HE2 TYR 5 HE2 TYR 5 25.111 -13.507 -1.461
30 HH TYR 5 HH TYR 5 23.635 -14.060 0.139
31 H SER 6 H SER 6 29.393 -9.993 -2.681
32 HA SER 6 HA SER 6 29.553 -12.684 -1.852
33 HB2 SER 6 HB2 SER 6 29.902 -12.244 -4.156
34 HB3 SER 6 HB3 SER 6 31.145 -11.043 -3.820
35 HG SER 6 HG SER 6 31.632 -13.443 -4.412
36 H CGU 7 H CGU 7 31.846 -9.984 -1.556
37 HA CGU 7 HA CGU 7 33.906 -11.501 -0.311
38 HB2 CGU 7 HB2 CGU 7 33.440 -8.534 0.009
39 HB3 CGU 7 HB3 CGU 7 34.970 -9.407 0.100
40 HG CGU 7 HG CGU 7 33.233 -9.102 -2.359
41 H ALA 8 H ALA 8 31.042 -9.886 0.859
42 HA ALA 8 HA ALA 8 31.727 -9.677 3.590
43 HB1 ALA 8 HB1 ALA 8 28.942 -10.206 2.562
44 HB2 ALA 8 HB2 ALA 8 29.728 -8.640 2.372
45 HB3 ALA 8 HB3 ALA 8 29.423 -9.284 3.986
46 H ILE 9 H ILE 9 30.317 -12.300 1.686
47 HA ILE 9 HA ILE 9 30.096 -14.000 4.055
48 HB ILE 9 HB ILE 9 29.127 -15.643 2.449
49 HG12 ILE 9 HG12 ILE 9 29.431 -13.372 0.457
50 HG13 ILE 9 HG13 ILE 9 30.433 -14.823 0.471
51 HG21 ILE 9 HG21 ILE 9 27.687 -14.022 3.629
52 HG22 ILE 9 HG22 ILE 9 27.070 -14.352 2.012
53 HG23 ILE 9 HG23 ILE 9 27.942 -12.853 2.335
54 HD11 ILE 9 HD11 ILE 9 28.392 -16.213 0.201
55 HD12 ILE 9 HD12 ILE 9 28.604 -15.087 -1.140
56 HD13 ILE 9 HD13 ILE 9 27.421 -14.743 0.121
57 HN1 NH2 10 HN1 NH2 10 32.261 -13.528 1.326
58 HN2 NH2 10 HN2 NH2 10 33.288 -14.834 1.681
Start of MODEL 2
1 H1 GLY 1 H1 GLY 1 25.093 -3.263 -3.460
2 H2 GLY 1 H2 GLY 1 26.338 -2.115 -3.594
3 H3 GLY 1 H3 GLY 1 25.238 -2.033 -2.301
4 HA2 GLY 1 HA2 GLY 1 27.665 -3.153 -2.145
5 HA3 GLY 1 HA3 GLY 1 26.311 -3.562 -1.092
6 H GLU 2 H GLU 2 25.960 -4.292 -4.434
7 HA GLU 2 HA GLU 2 25.580 -7.060 -3.972
8 HB2 GLU 2 HB2 GLU 2 24.556 -5.810 -5.858
9 HB3 GLU 2 HB3 GLU 2 26.152 -5.663 -6.595
10 HG2 GLU 2 HG2 GLU 2 26.348 -8.103 -6.715
11 HG3 GLU 2 HG3 GLU 2 24.785 -8.284 -5.917
12 H CGU 3 H CGU 3 28.332 -5.167 -5.106
13 HA CGU 3 HA CGU 3 29.934 -7.496 -5.711
14 HB2 CGU 3 HB2 CGU 3 31.775 -5.669 -5.801
15 HB3 CGU 3 HB3 CGU 3 30.502 -5.638 -7.022
16 HG CGU 3 HG CGU 3 30.143 -4.129 -4.455
17 H CGU 4 H CGU 4 29.178 -5.665 -2.918
18 HA CGU 4 HA CGU 4 31.595 -6.500 -1.491
19 HB2 CGU 4 HB2 CGU 4 29.272 -4.711 -0.765
20 HB3 CGU 4 HB3 CGU 4 30.504 -5.196 0.403
21 HG CGU 4 HG CGU 4 31.183 -3.922 -2.250
22 H TYR 5 H TYR 5 28.257 -7.348 -1.865
23 HA TYR 5 HA TYR 5 27.806 -8.719 0.552
24 HB2 TYR 5 HB2 TYR 5 25.978 -8.196 -0.967
25 HB3 TYR 5 HB3 TYR 5 26.681 -9.229 -2.211
26 HD1 TYR 5 HD1 TYR 5 25.272 -9.249 1.243
27 HD2 TYR 5 HD2 TYR 5 26.283 -11.566 -2.231
28 HE1 TYR 5 HE1 TYR 5 24.107 -11.213 2.213
29 HE2 TYR 5 HE2 TYR 5 25.120 -13.529 -1.261
30 HH TYR 5 HH TYR 5 22.950 -13.493 0.909
31 H SER 6 H SER 6 29.109 -9.840 -2.558
32 HA SER 6 HA SER 6 29.379 -12.559 -1.873
33 HB2 SER 6 HB2 SER 6 29.572 -12.015 -4.168
34 HB3 SER 6 HB3 SER 6 30.799 -10.789 -3.858
35 HG SER 6 HG SER 6 32.247 -12.397 -3.350
36 H CGU 7 H CGU 7 31.617 -9.822 -1.557
37 HA CGU 7 HA CGU 7 33.781 -11.368 -0.519
38 HB2 CGU 7 HB2 CGU 7 33.302 -8.419 -0.062
39 HB3 CGU 7 HB3 CGU 7 34.844 -9.276 -0.082
40 HG CGU 7 HG CGU 7 32.977 -8.951 -2.444
41 H ALA 8 H ALA 8 30.987 -9.807 0.885
42 HA ALA 8 HA ALA 8 31.821 -9.696 3.573
43 HB1 ALA 8 HB1 ALA 8 29.534 -9.383 4.119
44 HB2 ALA 8 HB2 ALA 8 28.991 -10.258 2.686
45 HB3 ALA 8 HB3 ALA 8 29.730 -8.664 2.522
46 H ILE 9 H ILE 9 30.262 -12.271 1.702
47 HA ILE 9 HA ILE 9 30.279 -14.058 4.009
48 HB ILE 9 HB ILE 9 29.200 -15.657 2.439
49 HG12 ILE 9 HG12 ILE 9 29.339 -13.329 0.496
50 HG13 ILE 9 HG13 ILE 9 30.335 -14.781 0.387
51 HG21 ILE 9 HG21 ILE 9 27.891 -14.002 3.784
52 HG22 ILE 9 HG22 ILE 9 27.098 -14.433 2.270
53 HG23 ILE 9 HG23 ILE 9 27.947 -12.894 2.413
54 HD11 ILE 9 HD11 ILE 9 28.289 -16.165 0.220
55 HD12 ILE 9 HD12 ILE 9 28.367 -14.978 -1.081
56 HD13 ILE 9 HD13 ILE 9 27.303 -14.704 0.300
57 HN1 NH2 10 HN1 NH2 10 32.607 -13.134 1.820
58 HN2 NH2 10 HN2 NH2 10 33.509 -14.570 1.758
Start of MODEL 3
1 H1 GLY 1 H1 GLY 1 26.061 -1.572 -1.380
2 H2 GLY 1 H2 GLY 1 25.270 -2.630 -2.448
3 H3 GLY 1 H3 GLY 1 26.235 -1.370 -3.054
4 HA2 GLY 1 HA2 GLY 1 28.112 -2.525 -2.862
5 HA3 GLY 1 HA3 GLY 1 27.654 -3.109 -1.261
6 H GLU 2 H GLU 2 26.612 -3.476 -4.659
7 HA GLU 2 HA GLU 2 25.451 -6.044 -4.265
8 HB2 GLU 2 HB2 GLU 2 26.381 -4.612 -6.762
9 HB3 GLU 2 HB3 GLU 2 25.525 -6.155 -6.777
10 HG2 GLU 2 HG2 GLU 2 23.620 -5.146 -5.621
11 HG3 GLU 2 HG3 GLU 2 24.479 -3.611 -5.500
12 H CGU 3 H CGU 3 28.649 -4.934 -5.250
13 HA CGU 3 HA CGU 3 29.554 -7.682 -5.688
14 HB2 CGU 3 HB2 CGU 3 31.771 -6.378 -6.138
15 HB3 CGU 3 HB3 CGU 3 30.465 -6.293 -7.322
16 HG CGU 3 HG CGU 3 30.647 -4.286 -5.090
17 H CGU 4 H CGU 4 29.185 -5.625 -3.110
18 HA CGU 4 HA CGU 4 31.622 -6.427 -1.709
19 HB2 CGU 4 HB2 CGU 4 29.298 -4.711 -0.799
20 HB3 CGU 4 HB3 CGU 4 30.808 -4.956 0.082
21 HG CGU 4 HG CGU 4 30.701 -3.864 -2.734
22 H TYR 5 H TYR 5 28.266 -7.270 -1.925
23 HA TYR 5 HA TYR 5 27.905 -8.528 0.568
24 HB2 TYR 5 HB2 TYR 5 26.019 -8.048 -0.891
25 HB3 TYR 5 HB3 TYR 5 26.655 -9.140 -2.120
26 HD1 TYR 5 HD1 TYR 5 25.343 -8.985 1.360
27 HD2 TYR 5 HD2 TYR 5 26.294 -11.489 -1.997
28 HE1 TYR 5 HE1 TYR 5 24.205 -10.893 2.461
29 HE2 TYR 5 HE2 TYR 5 25.155 -13.398 -0.895
30 HH TYR 5 HH TYR 5 23.151 -13.008 1.844
31 H SER 6 H SER 6 29.094 -9.773 -2.536
32 HA SER 6 HA SER 6 29.346 -12.473 -1.785
33 HB2 SER 6 HB2 SER 6 30.872 -12.667 -3.684
34 HB3 SER 6 HB3 SER 6 29.486 -11.671 -4.119
35 HG SER 6 HG SER 6 30.763 -9.839 -3.762
36 H CGU 7 H CGU 7 31.479 -9.704 -1.353
37 HA CGU 7 HA CGU 7 33.732 -11.215 -0.444
38 HB2 CGU 7 HB2 CGU 7 33.157 -8.323 0.203
39 HB3 CGU 7 HB3 CGU 7 34.725 -9.117 0.067
40 HG CGU 7 HG CGU 7 32.757 -8.664 -2.188
41 H ALA 8 H ALA 8 30.857 -9.935 1.045
42 HA ALA 8 HA ALA 8 31.723 -9.901 3.737
43 HB1 ALA 8 HB1 ALA 8 29.384 -9.823 4.313
44 HB2 ALA 8 HB2 ALA 8 28.926 -10.463 2.735
45 HB3 ALA 8 HB3 ALA 8 29.621 -8.846 2.865
46 H ILE 9 H ILE 9 30.286 -12.432 1.724
47 HA ILE 9 HA ILE 9 30.258 -14.343 3.906
48 HB ILE 9 HB ILE 9 29.490 -15.927 2.140
49 HG12 ILE 9 HG12 ILE 9 29.640 -13.483 0.346
50 HG13 ILE 9 HG13 ILE 9 30.779 -14.829 0.285
51 HG21 ILE 9 HG21 ILE 9 27.329 -14.868 1.817
52 HG22 ILE 9 HG22 ILE 9 28.027 -13.273 2.094
53 HG23 ILE 9 HG23 ILE 9 27.928 -14.433 3.418
54 HD11 ILE 9 HD11 ILE 9 27.792 -14.964 -0.216
55 HD12 ILE 9 HD12 ILE 9 28.847 -16.374 -0.129
56 HD13 ILE 9 HD13 ILE 9 29.072 -15.180 -1.410
57 HN1 NH2 10 HN1 NH2 10 32.680 -13.206 1.828
58 HN2 NH2 10 HN2 NH2 10 33.714 -14.550 1.903
Start of MODEL 4
1 H1 GLY 1 H1 GLY 1 29.349 -1.841 -2.752
2 H2 GLY 1 H2 GLY 1 28.166 -0.623 -2.807
3 H3 GLY 1 H3 GLY 1 28.083 -1.940 -3.876
4 HA2 GLY 1 HA2 GLY 1 28.083 -2.517 -1.009
5 HA3 GLY 1 HA3 GLY 1 26.613 -1.845 -1.718
6 H GLU 2 H GLU 2 26.500 -2.931 -4.183
7 HA GLU 2 HA GLU 2 25.599 -5.577 -3.694
8 HB2 GLU 2 HB2 GLU 2 26.105 -4.065 -6.264
9 HB3 GLU 2 HB3 GLU 2 25.368 -5.667 -6.199
10 HG2 GLU 2 HG2 GLU 2 23.549 -4.819 -4.813
11 HG3 GLU 2 HG3 GLU 2 24.306 -3.228 -4.744
12 H CGU 3 H CGU 3 28.571 -4.242 -5.032
13 HA CGU 3 HA CGU 3 29.595 -6.882 -5.720
14 HB2 CGU 3 HB2 CGU 3 31.669 -5.520 -6.314
15 HB3 CGU 3 HB3 CGU 3 30.217 -5.177 -7.254
16 HG CGU 3 HG CGU 3 30.773 -3.621 -4.750
17 H CGU 4 H CGU 4 28.959 -6.318 -2.930
18 HA CGU 4 HA CGU 4 31.622 -6.859 -1.794
19 HB2 CGU 4 HB2 CGU 4 29.593 -4.872 -0.764
20 HB3 CGU 4 HB3 CGU 4 30.911 -5.502 0.225
21 HG CGU 4 HG CGU 4 31.337 -4.188 -2.463
22 H TYR 5 H TYR 5 28.322 -7.588 -2.068
23 HA TYR 5 HA TYR 5 27.762 -8.804 0.404
24 HB2 TYR 5 HB2 TYR 5 26.002 -8.355 -1.212
25 HB3 TYR 5 HB3 TYR 5 26.736 -9.471 -2.363
26 HD1 TYR 5 HD1 TYR 5 25.143 -9.245 0.994
27 HD2 TYR 5 HD2 TYR 5 26.363 -11.817 -2.222
28 HE1 TYR 5 HE1 TYR 5 23.914 -11.131 2.036
29 HE2 TYR 5 HE2 TYR 5 25.134 -13.704 -1.180
30 HH TYR 5 HH TYR 5 22.910 -13.664 0.642
31 H SER 6 H SER 6 29.109 -10.162 -2.595
32 HA SER 6 HA SER 6 29.346 -12.822 -1.694
33 HB2 SER 6 HB2 SER 6 29.563 -12.472 -4.022
34 HB3 SER 6 HB3 SER 6 30.792 -11.228 -3.804
35 HG SER 6 HG SER 6 32.176 -12.792 -3.955
36 H CGU 7 H CGU 7 31.638 -10.107 -1.618
37 HA CGU 7 HA CGU 7 33.762 -11.588 -0.422
38 HB2 CGU 7 HB2 CGU 7 33.335 -8.600 -0.258
39 HB3 CGU 7 HB3 CGU 7 34.860 -9.481 -0.164
40 HG CGU 7 HG CGU 7 33.040 -9.356 -2.581
41 H ALA 8 H ALA 8 30.928 -10.008 0.801
42 HA ALA 8 HA ALA 8 31.747 -9.572 3.471
43 HB1 ALA 8 HB1 ALA 8 29.410 -9.350 3.981
44 HB2 ALA 8 HB2 ALA 8 28.953 -10.254 2.536
45 HB3 ALA 8 HB3 ALA 8 29.669 -8.649 2.385
46 H ILE 9 H ILE 9 30.380 -12.380 1.824
47 HA ILE 9 HA ILE 9 30.573 -13.926 4.327
48 HB ILE 9 HB ILE 9 29.223 -15.624 3.082
49 HG12 ILE 9 HG12 ILE 9 28.990 -13.422 1.006
50 HG13 ILE 9 HG13 ILE 9 29.984 -14.866 0.808
51 HG21 ILE 9 HG21 ILE 9 27.134 -14.357 3.206
52 HG22 ILE 9 HG22 ILE 9 28.024 -12.837 3.131
53 HG23 ILE 9 HG23 ILE 9 28.186 -13.886 4.540
54 HD11 ILE 9 HD11 ILE 9 27.886 -16.233 1.246
55 HD12 ILE 9 HD12 ILE 9 27.887 -15.330 -0.268
56 HD13 ILE 9 HD13 ILE 9 26.976 -14.727 1.117
57 HN1 NH2 10 HN1 NH2 10 32.150 -13.500 1.266
58 HN2 NH2 10 HN2 NH2 10 33.150 -14.868 1.361
Start of MODEL 5
1 H1 GLY 1 H1 GLY 1 26.722 -0.544 -6.737
2 H2 GLY 1 H2 GLY 1 26.657 0.872 -5.801
3 H3 GLY 1 H3 GLY 1 25.486 -0.342 -5.595
4 HA2 GLY 1 HA2 GLY 1 28.350 -0.889 -5.135
5 HA3 GLY 1 HA3 GLY 1 27.334 -0.198 -3.869
6 H GLU 2 H GLU 2 27.252 -1.957 -2.510
7 HA GLU 2 HA GLU 2 26.621 -4.018 -1.706
8 HB2 GLU 2 HB2 GLU 2 24.586 -3.718 -3.928
9 HB3 GLU 2 HB3 GLU 2 24.503 -4.924 -2.641
10 HG2 GLU 2 HG2 GLU 2 24.609 -1.928 -2.186
11 HG3 GLU 2 HG3 GLU 2 23.132 -2.891 -2.154
12 H CGU 3 H CGU 3 28.593 -3.811 -3.972
13 HA CGU 3 HA CGU 3 28.189 -6.317 -5.414
14 HB2 CGU 3 HB2 CGU 3 30.266 -5.700 -6.589
15 HB3 CGU 3 HB3 CGU 3 29.088 -4.387 -6.634
16 HG CGU 3 HG CGU 3 30.269 -3.544 -4.489
17 H CGU 4 H CGU 4 29.892 -5.093 -2.662
18 HA CGU 4 HA CGU 4 31.849 -7.208 -2.549
19 HB2 CGU 4 HB2 CGU 4 32.344 -6.288 -0.304
20 HB3 CGU 4 HB3 CGU 4 32.338 -5.035 -1.548
21 HG CGU 4 HG CGU 4 29.850 -4.714 -0.921
22 H TYR 5 H TYR 5 28.811 -7.705 -2.562
23 HA TYR 5 HA TYR 5 28.015 -8.759 -0.083
24 HB2 TYR 5 HB2 TYR 5 26.414 -8.383 -1.874
25 HB3 TYR 5 HB3 TYR 5 27.219 -9.583 -2.883
26 HD1 TYR 5 HD1 TYR 5 25.379 -9.125 0.325
27 HD2 TYR 5 HD2 TYR 5 26.747 -11.898 -2.657
28 HE1 TYR 5 HE1 TYR 5 24.020 -10.920 1.370
29 HE2 TYR 5 HE2 TYR 5 25.389 -13.692 -1.612
30 HH TYR 5 HH TYR 5 23.506 -13.969 -0.174
31 H SER 6 H SER 6 29.608 -10.318 -2.854
32 HA SER 6 HA SER 6 29.689 -12.926 -1.802
33 HB2 SER 6 HB2 SER 6 31.524 -11.523 -3.751
34 HB3 SER 6 HB3 SER 6 31.600 -13.247 -3.397
35 HG SER 6 HG SER 6 29.149 -12.058 -4.091
36 H CGU 7 H CGU 7 31.967 -10.222 -1.537
37 HA CGU 7 HA CGU 7 33.931 -11.685 -0.062
38 HB2 CGU 7 HB2 CGU 7 33.555 -8.689 -0.021
39 HB3 CGU 7 HB3 CGU 7 35.047 -9.605 0.201
40 HG CGU 7 HG CGU 7 33.417 -9.451 -2.348
41 H ALA 8 H ALA 8 30.980 -10.078 0.754
42 HA ALA 8 HA ALA 8 31.480 -9.496 3.474
43 HB1 ALA 8 HB1 ALA 8 29.140 -9.194 3.685
44 HB2 ALA 8 HB2 ALA 8 28.796 -10.310 2.363
45 HB3 ALA 8 HB3 ALA 8 29.510 -8.733 2.025
46 H ILE 9 H ILE 9 30.302 -12.401 1.836
47 HA ILE 9 HA ILE 9 30.289 -13.823 4.420
48 HB ILE 9 HB ILE 9 29.015 -15.570 3.172
49 HG12 ILE 9 HG12 ILE 9 28.930 -13.478 0.977
50 HG13 ILE 9 HG13 ILE 9 29.943 -14.921 0.921
51 HG21 ILE 9 HG21 ILE 9 27.944 -13.667 4.454
52 HG22 ILE 9 HG22 ILE 9 26.939 -14.344 3.172
53 HG23 ILE 9 HG23 ILE 9 27.780 -12.815 2.917
54 HD11 ILE 9 HD11 ILE 9 27.848 -16.296 1.250
55 HD12 ILE 9 HD12 ILE 9 27.910 -15.422 -0.281
56 HD13 ILE 9 HD13 ILE 9 26.919 -14.811 1.046
57 HN1 NH2 10 HN1 NH2 10 32.149 -13.484 1.542
58 HN2 NH2 10 HN2 NH2 10 33.099 -14.877 1.735
Start of MODEL 6
1 H1 GLY 1 H1 GLY 1 23.449 -4.036 -5.664
2 H2 GLY 1 H2 GLY 1 23.970 -2.542 -6.283
3 H3 GLY 1 H3 GLY 1 24.832 -3.293 -5.026
4 HA2 GLY 1 HA2 GLY 1 24.560 -4.300 -7.806
5 HA3 GLY 1 HA3 GLY 1 26.006 -3.577 -7.100
6 H GLU 2 H GLU 2 24.897 -5.021 -4.518
7 HA GLU 2 HA GLU 2 25.515 -6.904 -3.351
8 HB2 GLU 2 HB2 GLU 2 24.858 -8.157 -6.029
9 HB3 GLU 2 HB3 GLU 2 25.099 -9.060 -4.531
10 HG2 GLU 2 HG2 GLU 2 23.040 -6.863 -4.885
11 HG3 GLU 2 HG3 GLU 2 22.686 -8.586 -5.025
12 H CGU 3 H CGU 3 27.595 -5.386 -4.783
13 HA CGU 3 HA CGU 3 29.494 -7.328 -5.774
14 HB2 CGU 3 HB2 CGU 3 29.323 -4.917 -6.552
15 HB3 CGU 3 HB3 CGU 3 30.048 -4.458 -5.011
16 HG CGU 3 HG CGU 3 31.917 -6.098 -5.551
17 H CGU 4 H CGU 4 29.613 -5.009 -3.055
18 HA CGU 4 HA CGU 4 31.784 -6.341 -1.776
19 HB2 CGU 4 HB2 CGU 4 29.791 -4.331 -0.699
20 HB3 CGU 4 HB3 CGU 4 31.265 -4.840 0.130
21 HG CGU 4 HG CGU 4 31.313 -3.722 -2.672
22 H TYR 5 H TYR 5 28.851 -7.530 -2.282
23 HA TYR 5 HA TYR 5 28.270 -8.509 0.402
24 HB2 TYR 5 HB2 TYR 5 26.423 -7.879 -1.119
25 HB3 TYR 5 HB3 TYR 5 26.933 -9.141 -2.239
26 HD1 TYR 5 HD1 TYR 5 25.855 -8.584 1.298
27 HD2 TYR 5 HD2 TYR 5 26.187 -11.358 -1.966
28 HE1 TYR 5 HE1 TYR 5 24.554 -10.258 2.586
29 HE2 TYR 5 HE2 TYR 5 24.886 -13.031 -0.676
30 HH TYR 5 HH TYR 5 23.730 -12.313 2.623
31 H SER 6 H SER 6 29.542 -9.691 -2.666
32 HA SER 6 HA SER 6 29.541 -12.445 -2.084
33 HB2 SER 6 HB2 SER 6 31.278 -12.600 -3.837
34 HB3 SER 6 HB3 SER 6 29.926 -11.591 -4.341
35 HG SER 6 HG SER 6 31.714 -10.092 -3.040
36 H CGU 7 H CGU 7 31.879 -9.892 -1.374
37 HA CGU 7 HA CGU 7 33.815 -11.721 -0.252
38 HB2 CGU 7 HB2 CGU 7 35.022 -9.667 0.390
39 HB3 CGU 7 HB3 CGU 7 34.546 -9.631 -1.308
40 HG CGU 7 HG CGU 7 32.409 -8.432 -0.449
41 H ALA 8 H ALA 8 31.022 -10.053 0.856
42 HA ALA 8 HA ALA 8 31.663 -9.763 3.596
43 HB1 ALA 8 HB1 ALA 8 28.903 -10.315 2.508
44 HB2 ALA 8 HB2 ALA 8 29.689 -8.746 2.337
45 HB3 ALA 8 HB3 ALA 8 29.342 -9.389 3.942
46 H ILE 9 H ILE 9 30.309 -12.433 1.723
47 HA ILE 9 HA ILE 9 30.209 -14.093 4.152
48 HB ILE 9 HB ILE 9 29.020 -15.714 2.605
49 HG12 ILE 9 HG12 ILE 9 28.890 -13.277 0.805
50 HG13 ILE 9 HG13 ILE 9 29.956 -14.651 0.513
51 HG21 ILE 9 HG21 ILE 9 27.807 -12.952 2.932
52 HG22 ILE 9 HG22 ILE 9 27.837 -14.200 4.177
53 HG23 ILE 9 HG23 ILE 9 26.912 -14.454 2.697
54 HD11 ILE 9 HD11 ILE 9 27.862 -14.883 -0.768
55 HD12 ILE 9 HD12 ILE 9 26.932 -14.781 0.726
56 HD13 ILE 9 HD13 ILE 9 28.001 -16.156 0.445
57 HN1 NH2 10 HN1 NH2 10 30.421 -16.238 1.678
58 HN2 NH2 10 HN2 NH2 10 32.095 -16.523 1.681
Start of MODEL 7
1 H1 GLY 1 H1 GLY 1 26.303 -2.561 -5.223
2 H2 GLY 1 H2 GLY 1 25.928 -0.985 -4.710
3 H3 GLY 1 H3 GLY 1 24.845 -1.837 -5.702
4 HA2 GLY 1 HA2 GLY 1 25.354 -2.098 -2.834
5 HA3 GLY 1 HA3 GLY 1 23.827 -2.172 -3.714
6 H GLU 2 H GLU 2 26.439 -3.931 -5.072
7 HA GLU 2 HA GLU 2 25.844 -6.414 -3.681
8 HB2 GLU 2 HB2 GLU 2 25.220 -7.602 -5.771
9 HB3 GLU 2 HB3 GLU 2 24.039 -6.374 -5.313
10 HG2 GLU 2 HG2 GLU 2 25.097 -4.785 -6.891
11 HG3 GLU 2 HG3 GLU 2 26.243 -6.036 -7.369
12 H CGU 3 H CGU 3 28.123 -4.545 -4.397
13 HA CGU 3 HA CGU 3 29.847 -6.460 -5.837
14 HB2 CGU 3 HB2 CGU 3 31.397 -4.456 -6.023
15 HB3 CGU 3 HB3 CGU 3 29.882 -4.335 -6.919
16 HG CGU 3 HG CGU 3 30.137 -3.277 -4.110
17 H CGU 4 H CGU 4 29.025 -6.536 -2.955
18 HA CGU 4 HA CGU 4 31.697 -6.942 -1.875
19 HB2 CGU 4 HB2 CGU 4 30.845 -5.657 0.260
20 HB3 CGU 4 HB3 CGU 4 31.582 -4.770 -1.075
21 HG CGU 4 HG CGU 4 29.407 -4.207 -1.977
22 H TYR 5 H TYR 5 28.365 -7.577 -2.034
23 HA TYR 5 HA TYR 5 27.880 -8.869 0.418
24 HB2 TYR 5 HB2 TYR 5 26.063 -8.316 -1.102
25 HB3 TYR 5 HB3 TYR 5 26.717 -9.406 -2.325
26 HD1 TYR 5 HD1 TYR 5 25.351 -9.293 1.147
27 HD2 TYR 5 HD2 TYR 5 26.211 -11.720 -2.292
28 HE1 TYR 5 HE1 TYR 5 24.120 -11.185 2.174
29 HE2 TYR 5 HE2 TYR 5 24.979 -13.612 -1.265
30 HH TYR 5 HH TYR 5 23.044 -13.212 1.586
31 H SER 6 H SER 6 29.142 -10.109 -2.662
32 HA SER 6 HA SER 6 29.298 -12.823 -1.919
33 HB2 SER 6 HB2 SER 6 29.521 -12.328 -4.225
34 HB3 SER 6 HB3 SER 6 30.802 -11.156 -3.933
35 HG SER 6 HG SER 6 32.057 -12.961 -3.143
36 H CGU 7 H CGU 7 31.661 -10.178 -1.676
37 HA CGU 7 HA CGU 7 33.692 -11.845 -0.507
38 HB2 CGU 7 HB2 CGU 7 33.588 -8.839 -0.341
39 HB3 CGU 7 HB3 CGU 7 35.005 -9.889 -0.390
40 HG CGU 7 HG CGU 7 33.030 -9.459 -2.644
41 H ALA 8 H ALA 8 30.976 -10.066 0.659
42 HA ALA 8 HA ALA 8 31.804 -9.549 3.306
43 HB1 ALA 8 HB1 ALA 8 29.010 -10.165 2.322
44 HB2 ALA 8 HB2 ALA 8 29.772 -8.578 2.256
45 HB3 ALA 8 HB3 ALA 8 29.431 -9.330 3.815
46 H ILE 9 H ILE 9 30.281 -12.376 1.812
47 HA ILE 9 HA ILE 9 30.138 -13.806 4.331
48 HB ILE 9 HB ILE 9 29.352 -15.690 2.889
49 HG12 ILE 9 HG12 ILE 9 29.570 -13.649 0.653
50 HG13 ILE 9 HG13 ILE 9 30.717 -14.970 0.889
51 HG21 ILE 9 HG21 ILE 9 27.262 -14.519 2.140
52 HG22 ILE 9 HG22 ILE 9 28.044 -12.980 2.503
53 HG23 ILE 9 HG23 ILE 9 27.720 -14.132 3.798
54 HD11 ILE 9 HD11 ILE 9 28.969 -16.623 0.593
55 HD12 ILE 9 HD12 ILE 9 28.900 -15.499 -0.765
56 HD13 ILE 9 HD13 ILE 9 27.731 -15.366 0.546
57 HN1 NH2 10 HN1 NH2 10 32.533 -13.376 1.865
58 HN2 NH2 10 HN2 NH2 10 33.555 -14.644 2.348
Start of MODEL 8
1 H1 GLY 1 H1 GLY 1 26.569 -6.148 1.275
2 H2 GLY 1 H2 GLY 1 26.337 -4.757 2.222
3 H3 GLY 1 H3 GLY 1 27.726 -5.712 2.437
4 HA2 GLY 1 HA2 GLY 1 27.704 -3.490 0.988
5 HA3 GLY 1 HA3 GLY 1 28.796 -4.840 0.676
6 H GLU 2 H GLU 2 27.404 -2.825 -1.119
7 HA GLU 2 HA GLU 2 25.408 -4.008 -2.666
8 HB2 GLU 2 HB2 GLU 2 27.608 -2.082 -3.438
9 HB3 GLU 2 HB3 GLU 2 26.274 -2.519 -4.505
10 HG2 GLU 2 HG2 GLU 2 24.656 -1.699 -2.857
11 HG3 GLU 2 HG3 GLU 2 25.964 -1.312 -1.740
12 H CGU 3 H CGU 3 28.799 -3.733 -3.730
13 HA CGU 3 HA CGU 3 28.449 -6.127 -5.371
14 HB2 CGU 3 HB2 CGU 3 30.921 -5.446 -5.977
15 HB3 CGU 3 HB3 CGU 3 29.560 -4.527 -6.626
16 HG CGU 3 HG CGU 3 30.795 -3.758 -3.996
17 H CGU 4 H CGU 4 30.128 -5.042 -2.499
18 HA CGU 4 HA CGU 4 31.922 -7.262 -2.312
19 HB2 CGU 4 HB2 CGU 4 30.932 -5.347 -0.183
20 HB3 CGU 4 HB3 CGU 4 32.281 -6.468 0.000
21 HG CGU 4 HG CGU 4 32.165 -4.412 -2.208
22 H TYR 5 H TYR 5 28.862 -7.615 -2.562
23 HA TYR 5 HA TYR 5 27.871 -8.795 -0.211
24 HB2 TYR 5 HB2 TYR 5 26.394 -8.213 -2.051
25 HB3 TYR 5 HB3 TYR 5 27.201 -9.375 -3.104
26 HD1 TYR 5 HD1 TYR 5 25.083 -9.011 -0.078
27 HD2 TYR 5 HD2 TYR 5 26.731 -11.725 -2.972
28 HE1 TYR 5 HE1 TYR 5 23.588 -10.807 0.753
29 HE2 TYR 5 HE2 TYR 5 25.234 -13.519 -2.141
30 HH TYR 5 HH TYR 5 22.577 -12.970 -0.253
31 H SER 6 H SER 6 29.485 -10.262 -3.026
32 HA SER 6 HA SER 6 29.427 -12.919 -2.049
33 HB2 SER 6 HB2 SER 6 31.189 -13.333 -3.748
34 HB3 SER 6 HB3 SER 6 29.815 -12.447 -4.405
35 HG SER 6 HG SER 6 31.013 -10.678 -4.552
36 H CGU 7 H CGU 7 31.692 -10.255 -1.640
37 HA CGU 7 HA CGU 7 33.659 -11.900 -0.286
38 HB2 CGU 7 HB2 CGU 7 33.555 -8.884 -0.338
39 HB3 CGU 7 HB3 CGU 7 34.966 -9.924 -0.131
40 HG CGU 7 HG CGU 7 33.277 -9.679 -2.631
41 H ALA 8 H ALA 8 30.771 -10.353 0.559
42 HA ALA 8 HA ALA 8 31.318 -9.460 3.177
43 HB1 ALA 8 HB1 ALA 8 28.980 -9.352 3.476
44 HB2 ALA 8 HB2 ALA 8 28.688 -10.654 2.323
45 HB3 ALA 8 HB3 ALA 8 29.214 -9.071 1.751
46 H ILE 9 H ILE 9 30.323 -12.618 1.918
47 HA ILE 9 HA ILE 9 30.272 -13.790 4.579
48 HB ILE 9 HB ILE 9 29.767 -15.895 3.331
49 HG12 ILE 9 HG12 ILE 9 29.805 -14.073 0.904
50 HG13 ILE 9 HG13 ILE 9 31.070 -15.242 1.282
51 HG21 ILE 9 HG21 ILE 9 27.950 -14.414 4.064
52 HG22 ILE 9 HG22 ILE 9 27.558 -15.131 2.501
53 HG23 ILE 9 HG23 ILE 9 28.117 -13.460 2.591
54 HD11 ILE 9 HD11 ILE 9 29.595 -16.339 -0.249
55 HD12 ILE 9 HD12 ILE 9 28.168 -15.800 0.637
56 HD13 ILE 9 HD13 ILE 9 29.237 -17.014 1.341
57 HN1 NH2 10 HN1 NH2 10 32.710 -13.144 2.281
58 HN2 NH2 10 HN2 NH2 10 33.850 -14.278 2.828
Start of MODEL 9
1 H1 GLY 1 H1 GLY 1 24.538 -4.062 -7.596
2 H2 GLY 1 H2 GLY 1 24.563 -4.417 -9.258
3 H3 GLY 1 H3 GLY 1 26.003 -4.448 -8.359
4 HA2 GLY 1 HA2 GLY 1 23.703 -6.266 -7.887
5 HA3 GLY 1 HA3 GLY 1 25.120 -6.687 -8.851
6 H GLU 2 H GLU 2 25.382 -8.407 -7.217
7 HA GLU 2 HA GLU 2 26.007 -7.782 -4.505
8 HB2 GLU 2 HB2 GLU 2 26.570 -10.221 -6.201
9 HB3 GLU 2 HB3 GLU 2 26.920 -10.125 -4.475
10 HG2 GLU 2 HG2 GLU 2 24.560 -9.687 -3.992
11 HG3 GLU 2 HG3 GLU 2 24.186 -9.695 -5.714
12 H CGU 3 H CGU 3 27.562 -6.118 -4.580
13 HA CGU 3 HA CGU 3 30.129 -6.653 -5.858
14 HB2 CGU 3 HB2 CGU 3 29.025 -4.379 -5.870
15 HB3 CGU 3 HB3 CGU 3 29.367 -4.286 -4.141
16 HG CGU 3 HG CGU 3 31.791 -4.765 -4.711
17 H CGU 4 H CGU 4 29.530 -5.237 -2.662
18 HA CGU 4 HA CGU 4 31.814 -6.638 -1.572
19 HB2 CGU 4 HB2 CGU 4 29.792 -4.826 -0.231
20 HB3 CGU 4 HB3 CGU 4 31.306 -5.385 0.481
21 HG CGU 4 HG CGU 4 31.156 -3.836 -2.110
22 H TYR 5 H TYR 5 28.509 -7.287 -1.932
23 HA TYR 5 HA TYR 5 27.908 -8.689 0.437
24 HB2 TYR 5 HB2 TYR 5 26.165 -8.069 -1.142
25 HB3 TYR 5 HB3 TYR 5 26.883 -9.099 -2.382
26 HD1 TYR 5 HD1 TYR 5 25.266 -9.123 0.973
27 HD2 TYR 5 HD2 TYR 5 26.473 -11.447 -2.435
28 HE1 TYR 5 HE1 TYR 5 23.999 -11.065 1.847
29 HE2 TYR 5 HE2 TYR 5 25.204 -13.388 -1.559
30 HH TYR 5 HH TYR 5 23.885 -14.149 0.051
31 H SER 6 H SER 6 29.265 -9.808 -2.654
32 HA SER 6 HA SER 6 29.426 -12.541 -2.008
33 HB2 SER 6 HB2 SER 6 29.723 -11.975 -4.283
34 HB3 SER 6 HB3 SER 6 30.968 -10.785 -3.911
35 HG SER 6 HG SER 6 32.404 -12.357 -3.635
36 H CGU 7 H CGU 7 31.761 -9.897 -1.580
37 HA CGU 7 HA CGU 7 33.786 -11.577 -0.443
38 HB2 CGU 7 HB2 CGU 7 33.528 -8.583 -0.136
39 HB3 CGU 7 HB3 CGU 7 34.998 -9.555 -0.051
40 HG CGU 7 HG CGU 7 33.258 -9.180 -2.499
41 H ALA 8 H ALA 8 31.024 -9.863 0.776
42 HA ALA 8 HA ALA 8 31.771 -9.624 3.487
43 HB1 ALA 8 HB1 ALA 8 29.400 -9.352 3.935
44 HB2 ALA 8 HB2 ALA 8 28.993 -10.045 2.365
45 HB3 ALA 8 HB3 ALA 8 29.811 -8.486 2.456
46 H ILE 9 H ILE 9 30.330 -12.263 1.643
47 HA ILE 9 HA ILE 9 30.165 -13.923 4.056
48 HB ILE 9 HB ILE 9 29.028 -15.545 2.562
49 HG12 ILE 9 HG12 ILE 9 29.324 -13.355 0.479
50 HG13 ILE 9 HG13 ILE 9 30.250 -14.857 0.488
51 HG21 ILE 9 HG21 ILE 9 27.846 -12.783 2.211
52 HG22 ILE 9 HG22 ILE 9 27.854 -13.614 3.765
53 HG23 ILE 9 HG23 ILE 9 26.991 -14.313 2.395
54 HD11 ILE 9 HD11 ILE 9 28.045 -16.103 0.473
55 HD12 ILE 9 HD12 ILE 9 28.387 -15.191 -0.998
56 HD13 ILE 9 HD13 ILE 9 27.252 -14.552 0.190
57 HN1 NH2 10 HN1 NH2 10 32.147 -13.543 1.173
58 HN2 NH2 10 HN2 NH2 10 33.162 -14.869 1.478
Start of MODEL 10
1 H1 GLY 1 H1 GLY 1 27.507 -2.260 -0.056
2 H2 GLY 1 H2 GLY 1 26.554 -1.836 -1.398
3 H3 GLY 1 H3 GLY 1 28.132 -2.421 -1.624
4 HA2 GLY 1 HA2 GLY 1 27.321 -4.523 -0.448
5 HA3 GLY 1 HA3 GLY 1 25.712 -3.896 -0.808
6 H GLU 2 H GLU 2 25.055 -5.262 -2.406
7 HA GLU 2 HA GLU 2 24.937 -6.265 -4.469
8 HB2 GLU 2 HB2 GLU 2 26.626 -3.860 -5.201
9 HB3 GLU 2 HB3 GLU 2 25.840 -4.930 -6.363
10 HG2 GLU 2 HG2 GLU 2 24.373 -3.417 -4.187
11 HG3 GLU 2 HG3 GLU 2 24.510 -2.865 -5.856
12 H CGU 3 H CGU 3 28.152 -4.896 -4.990
13 HA CGU 3 HA CGU 3 29.179 -7.546 -5.610
14 HB2 CGU 3 HB2 CGU 3 31.326 -6.066 -5.979
15 HB3 CGU 3 HB3 CGU 3 30.001 -6.017 -7.144
16 HG CGU 3 HG CGU 3 30.013 -4.137 -4.802
17 H CGU 4 H CGU 4 29.459 -5.113 -3.101
18 HA CGU 4 HA CGU 4 31.723 -6.301 -1.798
19 HB2 CGU 4 HB2 CGU 4 29.653 -4.341 -0.773
20 HB3 CGU 4 HB3 CGU 4 31.152 -4.763 0.054
21 HG CGU 4 HG CGU 4 31.105 -3.696 -2.769
22 H TYR 5 H TYR 5 28.750 -7.514 -2.254
23 HA TYR 5 HA TYR 5 28.275 -8.500 0.451
24 HB2 TYR 5 HB2 TYR 5 26.393 -7.829 -1.056
25 HB3 TYR 5 HB3 TYR 5 26.810 -9.181 -2.108
26 HD1 TYR 5 HD1 TYR 5 25.612 -8.245 1.273
27 HD2 TYR 5 HD2 TYR 5 26.291 -11.451 -1.506
28 HE1 TYR 5 HE1 TYR 5 24.310 -9.779 2.723
29 HE2 TYR 5 HE2 TYR 5 24.990 -12.984 -0.056
30 HH TYR 5 HH TYR 5 23.769 -11.934 3.103
31 H SER 6 H SER 6 29.420 -9.662 -2.671
32 HA SER 6 HA SER 6 29.427 -12.422 -2.120
33 HB2 SER 6 HB2 SER 6 31.108 -12.566 -3.928
34 HB3 SER 6 HB3 SER 6 29.742 -11.546 -4.379
35 HG SER 6 HG SER 6 32.369 -10.830 -3.644
36 H CGU 7 H CGU 7 31.734 -9.866 -1.373
37 HA CGU 7 HA CGU 7 33.722 -11.715 -0.360
38 HB2 CGU 7 HB2 CGU 7 34.936 -9.665 0.293
39 HB3 CGU 7 HB3 CGU 7 34.428 -9.610 -1.396
40 HG CGU 7 HG CGU 7 32.302 -8.431 -0.476
41 H ALA 8 H ALA 8 30.925 -10.148 0.833
42 HA ALA 8 HA ALA 8 31.616 -9.835 3.558
43 HB1 ALA 8 HB1 ALA 8 28.864 -10.503 2.507
44 HB2 ALA 8 HB2 ALA 8 29.575 -8.894 2.372
45 HB3 ALA 8 HB3 ALA 8 29.275 -9.597 3.962
46 H ILE 9 H ILE 9 30.339 -12.564 1.713
47 HA ILE 9 HA ILE 9 30.066 -14.226 4.076
48 HB ILE 9 HB ILE 9 29.475 -15.995 2.421
49 HG12 ILE 9 HG12 ILE 9 29.839 -13.762 0.398
50 HG13 ILE 9 HG13 ILE 9 30.959 -15.109 0.604
51 HG21 ILE 9 HG21 ILE 9 28.058 -13.349 1.981
52 HG22 ILE 9 HG22 ILE 9 27.778 -14.423 3.350
53 HG23 ILE 9 HG23 ILE 9 27.378 -14.955 1.718
54 HD11 ILE 9 HD11 ILE 9 29.363 -15.549 -1.231
55 HD12 ILE 9 HD12 ILE 9 28.021 -15.366 -0.102
56 HD13 ILE 9 HD13 ILE 9 29.155 -16.703 0.087
57 HN1 NH2 10 HN1 NH2 10 32.621 -13.466 1.865
58 HN2 NH2 10 HN2 NH2 10 33.664 -14.729 2.312
Start of MODEL 11
1 H1 GLY 1 H1 GLY 1 25.964 -2.555 -1.095
2 H2 GLY 1 H2 GLY 1 27.227 -3.628 -0.721
3 H3 GLY 1 H3 GLY 1 25.698 -4.229 -1.152
4 HA2 GLY 1 HA2 GLY 1 26.226 -2.762 -3.304
5 HA3 GLY 1 HA3 GLY 1 27.854 -3.253 -2.830
6 H GLU 2 H GLU 2 26.431 -4.115 -5.185
7 HA GLU 2 HA GLU 2 25.323 -6.707 -4.855
8 HB2 GLU 2 HB2 GLU 2 26.584 -5.368 -7.258
9 HB3 GLU 2 HB3 GLU 2 25.735 -6.912 -7.315
10 HG2 GLU 2 HG2 GLU 2 24.509 -4.340 -6.284
11 HG3 GLU 2 HG3 GLU 2 24.289 -4.952 -7.923
12 H CGU 3 H CGU 3 28.592 -5.529 -5.488
13 HA CGU 3 HA CGU 3 29.618 -8.274 -5.561
14 HB2 CGU 3 HB2 CGU 3 31.829 -6.969 -5.947
15 HB3 CGU 3 HB3 CGU 3 30.633 -6.997 -7.243
16 HG CGU 3 HG CGU 3 30.602 -4.814 -5.177
17 H CGU 4 H CGU 4 29.404 -5.515 -3.472
18 HA CGU 4 HA CGU 4 31.544 -6.140 -1.713
19 HB2 CGU 4 HB2 CGU 4 28.979 -4.649 -1.109
20 HB3 CGU 4 HB3 CGU 4 30.472 -4.588 -0.170
21 HG CGU 4 HG CGU 4 30.247 -3.776 -3.076
22 H TYR 5 H TYR 5 28.199 -7.186 -1.932
23 HA TYR 5 HA TYR 5 27.915 -8.336 0.618
24 HB2 TYR 5 HB2 TYR 5 26.001 -8.021 -0.851
25 HB3 TYR 5 HB3 TYR 5 26.682 -9.147 -2.025
26 HD1 TYR 5 HD1 TYR 5 25.442 -8.879 1.484
27 HD2 TYR 5 HD2 TYR 5 26.367 -11.486 -1.803
28 HE1 TYR 5 HE1 TYR 5 24.399 -10.776 2.693
29 HE2 TYR 5 HE2 TYR 5 25.323 -13.383 -0.594
30 HH TYR 5 HH TYR 5 24.615 -13.309 2.672
31 H SER 6 H SER 6 29.139 -9.697 -2.426
32 HA SER 6 HA SER 6 29.494 -12.341 -1.573
33 HB2 SER 6 HB2 SER 6 31.134 -12.508 -3.409
34 HB3 SER 6 HB3 SER 6 29.672 -11.673 -3.922
35 HG SER 6 HG SER 6 31.471 -9.960 -2.848
36 H CGU 7 H CGU 7 31.550 -9.496 -1.218
37 HA CGU 7 HA CGU 7 33.892 -10.744 -0.316
38 HB2 CGU 7 HB2 CGU 7 32.796 -8.070 0.584
39 HB3 CGU 7 HB3 CGU 7 34.479 -8.593 0.641
40 HG CGU 7 HG CGU 7 32.834 -8.332 -1.886
41 H ALA 8 H ALA 8 31.021 -9.662 1.466
42 HA ALA 8 HA ALA 8 31.981 -10.248 4.058
43 HB1 ALA 8 HB1 ALA 8 29.147 -10.192 2.999
44 HB2 ALA 8 HB2 ALA 8 30.022 -8.840 3.713
45 HB3 ALA 8 HB3 ALA 8 29.586 -10.232 4.706
46 H ILE 9 H ILE 9 30.218 -12.184 1.675
47 HA ILE 9 HA ILE 9 30.083 -14.481 3.446
48 HB ILE 9 HB ILE 9 29.470 -14.406 0.489
49 HG12 ILE 9 HG12 ILE 9 28.210 -12.603 1.508
50 HG13 ILE 9 HG13 ILE 9 27.108 -13.957 1.252
51 HG21 ILE 9 HG21 ILE 9 29.567 -16.635 1.463
52 HG22 ILE 9 HG22 ILE 9 27.877 -16.214 1.179
53 HG23 ILE 9 HG23 ILE 9 28.548 -16.127 2.808
54 HD11 ILE 9 HD11 ILE 9 27.750 -14.656 3.670
55 HD12 ILE 9 HD12 ILE 9 26.645 -13.298 3.466
56 HD13 ILE 9 HD13 ILE 9 28.344 -13.003 3.829
57 HN1 NH2 10 HN1 NH2 10 31.424 -14.248 0.101
58 HN2 NH2 10 HN2 NH2 10 32.777 -15.221 0.428
Start of MODEL 12
1 H1 GLY 1 H1 GLY 1 29.538 -3.149 0.267
2 H2 GLY 1 H2 GLY 1 28.878 -1.842 -0.592
3 H3 GLY 1 H3 GLY 1 29.164 -3.320 -1.378
4 HA2 GLY 1 HA2 GLY 1 27.469 -3.578 0.926
5 HA3 GLY 1 HA3 GLY 1 26.794 -2.542 -0.332
6 H GLU 2 H GLU 2 25.974 -3.457 -2.145
7 HA GLU 2 HA GLU 2 25.482 -6.249 -2.214
8 HB2 GLU 2 HB2 GLU 2 25.188 -4.157 -4.383
9 HB3 GLU 2 HB3 GLU 2 24.532 -5.792 -4.457
10 HG2 GLU 2 HG2 GLU 2 23.872 -3.773 -2.295
11 HG3 GLU 2 HG3 GLU 2 22.850 -4.114 -3.691
12 H CGU 3 H CGU 3 27.789 -4.160 -3.889
13 HA CGU 3 HA CGU 3 28.792 -6.086 -5.695
14 HB2 CGU 3 HB2 CGU 3 29.182 -3.593 -5.790
15 HB3 CGU 3 HB3 CGU 3 30.350 -3.797 -4.483
16 HG CGU 3 HG CGU 3 31.502 -5.528 -5.927
17 H CGU 4 H CGU 4 29.800 -5.160 -2.422
18 HA CGU 4 HA CGU 4 31.885 -7.197 -2.405
19 HB2 CGU 4 HB2 CGU 4 30.963 -5.273 -0.255
20 HB3 CGU 4 HB3 CGU 4 32.367 -6.335 -0.142
21 HG CGU 4 HG CGU 4 32.005 -4.303 -2.348
22 H TYR 5 H TYR 5 28.838 -7.683 -2.452
23 HA TYR 5 HA TYR 5 28.056 -8.837 -0.005
24 HB2 TYR 5 HB2 TYR 5 26.429 -8.342 -1.745
25 HB3 TYR 5 HB3 TYR 5 27.199 -9.498 -2.832
26 HD1 TYR 5 HD1 TYR 5 25.522 -9.226 0.498
27 HD2 TYR 5 HD2 TYR 5 26.596 -11.777 -2.788
28 HE1 TYR 5 HE1 TYR 5 24.155 -11.054 1.471
29 HE2 TYR 5 HE2 TYR 5 25.229 -13.604 -1.815
30 HH TYR 5 HH TYR 5 24.423 -14.013 0.966
31 H SER 6 H SER 6 29.543 -10.289 -2.895
32 HA SER 6 HA SER 6 29.620 -12.941 -1.946
33 HB2 SER 6 HB2 SER 6 31.379 -13.270 -3.663
34 HB3 SER 6 HB3 SER 6 29.978 -12.411 -4.297
35 HG SER 6 HG SER 6 32.402 -11.622 -4.474
36 H CGU 7 H CGU 7 31.811 -10.215 -1.520
37 HA CGU 7 HA CGU 7 33.845 -11.803 -0.216
38 HB2 CGU 7 HB2 CGU 7 33.568 -8.794 -0.202
39 HB3 CGU 7 HB3 CGU 7 35.032 -9.744 0.054
40 HG CGU 7 HG CGU 7 33.424 -9.660 -2.510
41 H ALA 8 H ALA 8 31.029 -9.993 0.712
42 HA ALA 8 HA ALA 8 31.647 -9.496 3.419
43 HB1 ALA 8 HB1 ALA 8 29.344 -9.036 3.709
44 HB2 ALA 8 HB2 ALA 8 28.881 -10.117 2.395
45 HB3 ALA 8 HB3 ALA 8 29.687 -8.587 2.038
46 H ILE 9 H ILE 9 30.268 -12.304 1.781
47 HA ILE 9 HA ILE 9 29.930 -13.729 4.307
48 HB ILE 9 HB ILE 9 29.069 -15.555 2.840
49 HG12 ILE 9 HG12 ILE 9 29.440 -13.517 0.624
50 HG13 ILE 9 HG13 ILE 9 30.496 -14.911 0.864
51 HG21 ILE 9 HG21 ILE 9 27.548 -13.841 3.750
52 HG22 ILE 9 HG22 ILE 9 27.036 -14.331 2.135
53 HG23 ILE 9 HG23 ILE 9 27.884 -12.802 2.366
54 HD11 ILE 9 HD11 ILE 9 28.704 -15.347 -0.819
55 HD12 ILE 9 HD12 ILE 9 27.497 -15.081 0.440
56 HD13 ILE 9 HD13 ILE 9 28.617 -16.437 0.563
57 HN1 NH2 10 HN1 NH2 10 32.393 -13.364 1.910
58 HN2 NH2 10 HN2 NH2 10 33.341 -14.694 2.380
Start of MODEL 13
1 H1 GLY 1 H1 GLY 1 27.954 -4.366 1.224
2 H2 GLY 1 H2 GLY 1 26.453 -5.025 0.776
3 H3 GLY 1 H3 GLY 1 26.550 -3.418 1.322
4 HA2 GLY 1 HA2 GLY 1 26.661 -2.808 -0.796
5 HA3 GLY 1 HA3 GLY 1 28.295 -3.477 -0.770
6 H GLU 2 H GLU 2 26.186 -3.429 -2.906
7 HA GLU 2 HA GLU 2 25.163 -6.051 -3.275
8 HB2 GLU 2 HB2 GLU 2 25.701 -3.806 -5.229
9 HB3 GLU 2 HB3 GLU 2 24.884 -5.307 -5.662
10 HG2 GLU 2 HG2 GLU 2 23.155 -4.875 -3.971
11 HG3 GLU 2 HG3 GLU 2 23.979 -3.390 -3.495
12 H CGU 3 H CGU 3 28.147 -4.450 -4.266
13 HA CGU 3 HA CGU 3 29.043 -6.779 -5.765
14 HB2 CGU 3 HB2 CGU 3 31.203 -5.296 -5.838
15 HB3 CGU 3 HB3 CGU 3 29.791 -4.828 -6.789
16 HG CGU 3 HG CGU 3 30.102 -3.838 -3.971
17 H CGU 4 H CGU 4 29.656 -5.200 -2.679
18 HA CGU 4 HA CGU 4 31.859 -6.956 -2.008
19 HB2 CGU 4 HB2 CGU 4 30.310 -4.947 -0.356
20 HB3 CGU 4 HB3 CGU 4 31.736 -5.820 0.203
21 HG CGU 4 HG CGU 4 31.710 -4.118 -2.293
22 H TYR 5 H TYR 5 28.674 -7.516 -2.292
23 HA TYR 5 HA TYR 5 27.887 -8.729 0.119
24 HB2 TYR 5 HB2 TYR 5 26.278 -8.246 -1.640
25 HB3 TYR 5 HB3 TYR 5 27.087 -9.373 -2.728
26 HD1 TYR 5 HD1 TYR 5 25.278 -9.146 0.526
27 HD2 TYR 5 HD2 TYR 5 26.606 -11.693 -2.669
28 HE1 TYR 5 HE1 TYR 5 23.933 -11.011 1.454
29 HE2 TYR 5 HE2 TYR 5 25.261 -13.558 -1.739
30 HH TYR 5 HH TYR 5 23.574 -14.057 -0.280
31 H SER 6 H SER 6 29.435 -10.120 -2.770
32 HA SER 6 HA SER 6 29.560 -12.777 -1.836
33 HB2 SER 6 HB2 SER 6 29.924 -12.165 -4.193
34 HB3 SER 6 HB3 SER 6 31.418 -11.345 -3.750
35 HG SER 6 HG SER 6 32.254 -13.317 -3.083
36 H CGU 7 H CGU 7 31.837 -10.072 -1.562
37 HA CGU 7 HA CGU 7 33.876 -11.581 -0.250
38 HB2 CGU 7 HB2 CGU 7 33.473 -8.596 -0.051
39 HB3 CGU 7 HB3 CGU 7 34.982 -9.500 0.067
40 HG CGU 7 HG CGU 7 33.250 -9.206 -2.398
41 H ALA 8 H ALA 8 30.987 -9.958 0.791
42 HA ALA 8 HA ALA 8 31.616 -9.555 3.511
43 HB1 ALA 8 HB1 ALA 8 29.248 -9.328 3.860
44 HB2 ALA 8 HB2 ALA 8 28.891 -10.214 2.378
45 HB3 ALA 8 HB3 ALA 8 29.625 -8.611 2.295
46 H ILE 9 H ILE 9 30.286 -12.336 1.774
47 HA ILE 9 HA ILE 9 30.295 -13.899 4.268
48 HB ILE 9 HB ILE 9 29.056 -15.588 2.914
49 HG12 ILE 9 HG12 ILE 9 29.070 -13.410 0.801
50 HG13 ILE 9 HG13 ILE 9 30.035 -14.886 0.717
51 HG21 ILE 9 HG21 ILE 9 26.982 -14.392 2.944
52 HG22 ILE 9 HG22 ILE 9 27.793 -12.847 2.688
53 HG23 ILE 9 HG23 ILE 9 27.965 -13.691 4.228
54 HD11 ILE 9 HD11 ILE 9 27.014 -14.668 0.742
55 HD12 ILE 9 HD12 ILE 9 27.878 -16.193 0.948
56 HD13 ILE 9 HD13 ILE 9 28.035 -15.289 -0.557
57 HN1 NH2 10 HN1 NH2 10 32.238 -13.387 1.481
58 HN2 NH2 10 HN2 NH2 10 33.190 -14.788 1.617
Start of MODEL 14
1 H1 GLY 1 H1 GLY 1 28.778 -3.157 -0.507
2 H2 GLY 1 H2 GLY 1 27.103 -2.898 -0.389
3 H3 GLY 1 H3 GLY 1 28.166 -1.575 -0.468
4 HA2 GLY 1 HA2 GLY 1 27.223 -1.755 -2.603
5 HA3 GLY 1 HA3 GLY 1 28.862 -2.398 -2.719
6 H GLU 2 H GLU 2 26.595 -3.046 -4.413
7 HA GLU 2 HA GLU 2 25.433 -5.533 -3.741
8 HB2 GLU 2 HB2 GLU 2 25.035 -5.715 -6.221
9 HB3 GLU 2 HB3 GLU 2 24.457 -4.215 -5.498
10 HG2 GLU 2 HG2 GLU 2 27.230 -4.373 -6.655
11 HG3 GLU 2 HG3 GLU 2 25.841 -4.082 -7.702
12 H CGU 3 H CGU 3 28.567 -4.663 -4.917
13 HA CGU 3 HA CGU 3 29.182 -7.404 -5.741
14 HB2 CGU 3 HB2 CGU 3 31.431 -6.365 -6.306
15 HB3 CGU 3 HB3 CGU 3 30.054 -5.755 -7.225
16 HG CGU 3 HG CGU 3 30.875 -4.407 -4.671
17 H CGU 4 H CGU 4 29.569 -5.266 -3.061
18 HA CGU 4 HA CGU 4 31.818 -6.635 -1.886
19 HB2 CGU 4 HB2 CGU 4 29.882 -4.546 -0.888
20 HB3 CGU 4 HB3 CGU 4 31.109 -5.264 0.158
21 HG CGU 4 HG CGU 4 31.814 -4.070 -2.518
22 H TYR 5 H TYR 5 28.502 -7.267 -2.148
23 HA TYR 5 HA TYR 5 27.923 -8.466 0.337
24 HB2 TYR 5 HB2 TYR 5 26.160 -7.947 -1.257
25 HB3 TYR 5 HB3 TYR 5 26.841 -9.082 -2.423
26 HD1 TYR 5 HD1 TYR 5 25.112 -8.762 0.830
27 HD2 TYR 5 HD2 TYR 5 26.573 -11.473 -2.165
28 HE1 TYR 5 HE1 TYR 5 23.831 -10.609 1.877
29 HE2 TYR 5 HE2 TYR 5 25.293 -13.320 -1.117
30 HH TYR 5 HH TYR 5 24.395 -13.773 1.335
31 H SER 6 H SER 6 29.201 -9.848 -2.682
32 HA SER 6 HA SER 6 29.350 -12.520 -1.796
33 HB2 SER 6 HB2 SER 6 30.948 -12.824 -3.654
34 HB3 SER 6 HB3 SER 6 29.526 -11.916 -4.158
35 HG SER 6 HG SER 6 31.986 -10.772 -3.312
36 H CGU 7 H CGU 7 31.426 -9.759 -1.296
37 HA CGU 7 HA CGU 7 33.694 -11.275 -0.376
38 HB2 CGU 7 HB2 CGU 7 33.095 -8.360 0.160
39 HB3 CGU 7 HB3 CGU 7 34.668 -9.154 0.159
40 HG CGU 7 HG CGU 7 32.849 -8.820 -2.238
41 H ALA 8 H ALA 8 30.778 -10.037 1.028
42 HA ALA 8 HA ALA 8 31.580 -9.890 3.734
43 HB1 ALA 8 HB1 ALA 8 28.834 -10.591 2.673
44 HB2 ALA 8 HB2 ALA 8 29.457 -8.946 2.803
45 HB3 ALA 8 HB3 ALA 8 29.219 -9.917 4.258
46 H ILE 9 H ILE 9 30.293 -12.539 1.771
47 HA ILE 9 HA ILE 9 30.236 -14.389 3.989
48 HB ILE 9 HB ILE 9 29.720 -16.066 2.209
49 HG12 ILE 9 HG12 ILE 9 29.800 -13.664 0.359
50 HG13 ILE 9 HG13 ILE 9 31.083 -14.872 0.443
51 HG21 ILE 9 HG21 ILE 9 28.133 -13.480 2.142
52 HG22 ILE 9 HG22 ILE 9 27.916 -14.802 3.290
53 HG23 ILE 9 HG23 ILE 9 27.542 -15.046 1.584
54 HD11 ILE 9 HD11 ILE 9 28.184 -15.374 -0.289
55 HD12 ILE 9 HD12 ILE 9 29.398 -16.638 -0.085
56 HD13 ILE 9 HD13 ILE 9 29.570 -15.450 -1.375
57 HN1 NH2 10 HN1 NH2 10 32.758 -13.179 2.071
58 HN2 NH2 10 HN2 NH2 10 33.855 -14.460 2.278
Start of MODEL 15
1 H1 GLY 1 H1 GLY 1 23.786 -3.366 -1.907
2 H2 GLY 1 H2 GLY 1 24.263 -1.923 -2.665
3 H3 GLY 1 H3 GLY 1 25.424 -3.091 -2.247
4 HA2 GLY 1 HA2 GLY 1 23.293 -3.379 -4.293
5 HA3 GLY 1 HA3 GLY 1 25.018 -3.188 -4.603
6 H GLU 2 H GLU 2 26.006 -5.040 -5.079
7 HA GLU 2 HA GLU 2 25.504 -7.427 -3.482
8 HB2 GLU 2 HB2 GLU 2 25.221 -8.803 -5.595
9 HB3 GLU 2 HB3 GLU 2 23.847 -7.782 -5.169
10 HG2 GLU 2 HG2 GLU 2 26.015 -6.834 -7.046
11 HG3 GLU 2 HG3 GLU 2 24.607 -7.726 -7.623
12 H CGU 3 H CGU 3 27.646 -5.379 -4.514
13 HA CGU 3 HA CGU 3 29.596 -7.128 -5.758
14 HB2 CGU 3 HB2 CGU 3 29.393 -4.649 -6.230
15 HB3 CGU 3 HB3 CGU 3 30.052 -4.366 -4.617
16 HG CGU 3 HG CGU 3 31.998 -5.851 -5.273
17 H CGU 4 H CGU 4 29.636 -5.186 -2.757
18 HA CGU 4 HA CGU 4 31.817 -6.629 -1.630
19 HB2 CGU 4 HB2 CGU 4 29.756 -4.863 -0.284
20 HB3 CGU 4 HB3 CGU 4 31.276 -5.398 0.432
21 HG CGU 4 HG CGU 4 31.153 -3.880 -2.174
22 H TYR 5 H TYR 5 28.549 -7.392 -2.007
23 HA TYR 5 HA TYR 5 27.954 -8.782 0.364
24 HB2 TYR 5 HB2 TYR 5 26.225 -8.261 -1.266
25 HB3 TYR 5 HB3 TYR 5 27.013 -9.283 -2.469
26 HD1 TYR 5 HD1 TYR 5 25.108 -9.251 0.694
27 HD2 TYR 5 HD2 TYR 5 26.914 -11.707 -2.333
28 HE1 TYR 5 HE1 TYR 5 23.898 -11.229 1.575
29 HE2 TYR 5 HE2 TYR 5 25.705 -13.684 -1.450
30 HH TYR 5 HH TYR 5 23.194 -13.388 0.931
31 H SER 6 H SER 6 29.381 -9.925 -2.691
32 HA SER 6 HA SER 6 29.647 -12.628 -1.982
33 HB2 SER 6 HB2 SER 6 29.977 -11.545 -4.278
34 HB3 SER 6 HB3 SER 6 31.602 -11.139 -3.731
35 HG SER 6 HG SER 6 32.148 -13.185 -3.834
36 H CGU 7 H CGU 7 31.861 -9.887 -1.552
37 HA CGU 7 HA CGU 7 33.975 -11.422 -0.413
38 HB2 CGU 7 HB2 CGU 7 33.408 -8.470 -0.056
39 HB3 CGU 7 HB3 CGU 7 34.954 -9.287 0.177
40 HG CGU 7 HG CGU 7 33.439 -9.189 -2.443
41 H ALA 8 H ALA 8 31.235 -9.638 0.921
42 HA ALA 8 HA ALA 8 31.968 -9.752 3.639
43 HB1 ALA 8 HB1 ALA 8 29.261 -9.626 2.298
44 HB2 ALA 8 HB2 ALA 8 30.189 -8.287 2.971
45 HB3 ALA 8 HB3 ALA 8 29.487 -9.500 4.043
46 H ILE 9 H ILE 9 30.227 -12.027 1.567
47 HA ILE 9 HA ILE 9 29.664 -13.854 3.734
48 HB ILE 9 HB ILE 9 29.467 -14.239 0.737
49 HG12 ILE 9 HG12 ILE 9 28.065 -12.412 2.008
50 HG13 ILE 9 HG13 ILE 9 27.248 -13.503 0.888
51 HG21 ILE 9 HG21 ILE 9 28.616 -15.872 3.126
52 HG22 ILE 9 HG22 ILE 9 29.484 -16.400 1.684
53 HG23 ILE 9 HG23 ILE 9 27.767 -16.009 1.587
54 HD11 ILE 9 HD11 ILE 9 27.519 -14.207 3.806
55 HD12 ILE 9 HD12 ILE 9 26.360 -14.822 2.627
56 HD13 ILE 9 HD13 ILE 9 26.204 -13.177 3.241
57 HN1 NH2 10 HN1 NH2 10 31.416 -14.633 0.690
58 HN2 NH2 10 HN2 NH2 10 32.651 -15.510 1.456
Start of MODEL 16
1 H1 GLY 1 H1 GLY 1 28.351 -2.860 -3.290
2 H2 GLY 1 H2 GLY 1 29.121 -1.907 -2.113
3 H3 GLY 1 H3 GLY 1 27.826 -1.270 -3.010
4 HA2 GLY 1 HA2 GLY 1 27.739 -2.636 -0.569
5 HA3 GLY 1 HA3 GLY 1 26.393 -1.974 -1.498
6 H GLU 2 H GLU 2 25.917 -3.362 -3.560
7 HA GLU 2 HA GLU 2 25.028 -5.901 -2.687
8 HB2 GLU 2 HB2 GLU 2 25.285 -4.710 -5.457
9 HB3 GLU 2 HB3 GLU 2 24.507 -6.259 -5.123
10 HG2 GLU 2 HG2 GLU 2 22.879 -5.180 -3.670
11 HG3 GLU 2 HG3 GLU 2 23.700 -3.631 -3.848
12 H CGU 3 H CGU 3 27.810 -4.871 -4.610
13 HA CGU 3 HA CGU 3 28.689 -7.526 -5.228
14 HB2 CGU 3 HB2 CGU 3 30.889 -6.235 -5.719
15 HB3 CGU 3 HB3 CGU 3 29.475 -5.904 -6.723
16 HG CGU 3 HG CGU 3 29.915 -4.300 -4.231
17 H CGU 4 H CGU 4 29.326 -5.215 -2.658
18 HA CGU 4 HA CGU 4 31.615 -6.350 -1.526
19 HB2 CGU 4 HB2 CGU 4 29.295 -4.983 -0.140
20 HB3 CGU 4 HB3 CGU 4 30.879 -5.279 0.578
21 HG CGU 4 HG CGU 4 30.511 -3.749 -1.999
22 H TYR 5 H TYR 5 28.410 -7.555 -1.692
23 HA TYR 5 HA TYR 5 28.284 -9.138 0.629
24 HB2 TYR 5 HB2 TYR 5 26.318 -8.758 -0.752
25 HB3 TYR 5 HB3 TYR 5 27.071 -9.601 -2.105
26 HD1 TYR 5 HD1 TYR 5 25.961 -10.062 1.434
27 HD2 TYR 5 HD2 TYR 5 26.900 -11.946 -2.312
28 HE1 TYR 5 HE1 TYR 5 25.118 -12.224 2.309
29 HE2 TYR 5 HE2 TYR 5 26.055 -14.108 -1.436
30 HH TYR 5 HH TYR 5 24.502 -14.902 0.308
31 H SER 6 H SER 6 29.452 -9.912 -2.643
32 HA SER 6 HA SER 6 30.144 -12.593 -2.151
33 HB2 SER 6 HB2 SER 6 30.022 -11.646 -4.414
34 HB3 SER 6 HB3 SER 6 31.414 -10.623 -4.069
35 HG SER 6 HG SER 6 31.284 -13.281 -4.709
36 H CGU 7 H CGU 7 32.026 -9.601 -1.819
37 HA CGU 7 HA CGU 7 34.400 -10.984 -0.944
38 HB2 CGU 7 HB2 CGU 7 33.684 -8.048 -0.790
39 HB3 CGU 7 HB3 CGU 7 35.289 -8.736 -0.541
40 HG CGU 7 HG CGU 7 33.694 -9.091 -3.086
41 H ALA 8 H ALA 8 31.571 -10.817 0.515
42 HA ALA 8 HA ALA 8 32.739 -10.967 3.177
43 HB1 ALA 8 HB1 ALA 8 30.558 -8.967 2.533
44 HB2 ALA 8 HB2 ALA 8 32.223 -8.573 2.960
45 HB3 ALA 8 HB3 ALA 8 31.168 -9.341 4.145
46 H ILE 9 H ILE 9 31.845 -13.117 1.968
47 HA ILE 9 HA ILE 9 29.033 -13.589 2.209
48 HB ILE 9 HB ILE 9 31.377 -15.488 1.950
49 HG12 ILE 9 HG12 ILE 9 29.285 -14.690 -0.089
50 HG13 ILE 9 HG13 ILE 9 30.836 -13.862 0.060
51 HG21 ILE 9 HG21 ILE 9 29.521 -17.084 1.213
52 HG22 ILE 9 HG22 ILE 9 28.386 -15.944 1.941
53 HG23 ILE 9 HG23 ILE 9 29.600 -16.741 2.943
54 HD11 ILE 9 HD11 ILE 9 30.794 -15.713 -1.667
55 HD12 ILE 9 HD12 ILE 9 30.578 -16.853 -0.340
56 HD13 ILE 9 HD13 ILE 9 32.049 -15.882 -0.439
57 HN1 NH2 10 HN1 NH2 10 31.539 -15.456 3.985
58 HN2 NH2 10 HN2 NH2 10 30.718 -15.424 5.470
Start of MODEL 17
1 H1 GLY 1 H1 GLY 1 23.624 -4.206 -2.395
2 H2 GLY 1 H2 GLY 1 23.385 -2.528 -2.502
3 H3 GLY 1 H3 GLY 1 24.348 -3.175 -1.261
4 HA2 GLY 1 HA2 GLY 1 25.039 -2.525 -3.973
5 HA3 GLY 1 HA3 GLY 1 26.081 -2.729 -2.566
6 H GLU 2 H GLU 2 25.183 -4.054 -5.500
7 HA GLU 2 HA GLU 2 25.682 -6.834 -4.801
8 HB2 GLU 2 HB2 GLU 2 25.225 -5.489 -7.475
9 HB3 GLU 2 HB3 GLU 2 25.361 -7.230 -7.228
10 HG2 GLU 2 HG2 GLU 2 23.045 -6.907 -7.173
11 HG3 GLU 2 HG3 GLU 2 23.468 -6.872 -5.463
12 H CGU 3 H CGU 3 27.857 -6.364 -3.940
13 HA CGU 3 HA CGU 3 29.869 -7.013 -5.852
14 HB2 CGU 3 HB2 CGU 3 29.549 -4.535 -6.259
15 HB3 CGU 3 HB3 CGU 3 30.137 -4.267 -4.619
16 HG CGU 3 HG CGU 3 32.177 -5.638 -5.255
17 H CGU 4 H CGU 4 29.640 -5.201 -2.778
18 HA CGU 4 HA CGU 4 31.852 -6.641 -1.630
19 HB2 CGU 4 HB2 CGU 4 29.828 -4.764 -0.386
20 HB3 CGU 4 HB3 CGU 4 31.262 -5.384 0.429
21 HG CGU 4 HG CGU 4 31.365 -3.864 -2.180
22 H TYR 5 H TYR 5 28.541 -7.266 -2.008
23 HA TYR 5 HA TYR 5 27.918 -8.647 0.366
24 HB2 TYR 5 HB2 TYR 5 26.186 -8.020 -1.224
25 HB3 TYR 5 HB3 TYR 5 26.897 -9.066 -2.454
26 HD1 TYR 5 HD1 TYR 5 25.175 -9.017 0.834
27 HD2 TYR 5 HD2 TYR 5 26.560 -11.440 -2.432
28 HE1 TYR 5 HE1 TYR 5 23.884 -10.943 1.714
29 HE2 TYR 5 HE2 TYR 5 25.269 -13.366 -1.550
30 HH TYR 5 HH TYR 5 23.979 -13.442 1.562
31 H SER 6 H SER 6 29.278 -9.789 -2.716
32 HA SER 6 HA SER 6 29.419 -12.525 -2.028
33 HB2 SER 6 HB2 SER 6 31.051 -12.685 -3.871
34 HB3 SER 6 HB3 SER 6 29.645 -11.734 -4.338
35 HG SER 6 HG SER 6 32.279 -10.954 -3.852
36 H CGU 7 H CGU 7 31.632 -9.828 -1.504
37 HA CGU 7 HA CGU 7 33.743 -11.494 -0.460
38 HB2 CGU 7 HB2 CGU 7 33.452 -8.514 -0.094
39 HB3 CGU 7 HB3 CGU 7 34.934 -9.471 -0.089
40 HG CGU 7 HG CGU 7 33.104 -9.016 -2.458
41 H ALA 8 H ALA 8 30.930 -9.915 0.789
42 HA ALA 8 HA ALA 8 31.689 -9.625 3.492
43 HB1 ALA 8 HB1 ALA 8 29.348 -9.394 3.959
44 HB2 ALA 8 HB2 ALA 8 28.909 -10.245 2.479
45 HB3 ALA 8 HB3 ALA 8 29.639 -8.642 2.390
46 H ILE 9 H ILE 9 30.190 -12.313 1.727
47 HA ILE 9 HA ILE 9 30.178 -13.978 4.121
48 HB ILE 9 HB ILE 9 29.165 -15.676 2.600
49 HG12 ILE 9 HG12 ILE 9 29.282 -13.439 0.552
50 HG13 ILE 9 HG13 ILE 9 30.347 -14.845 0.542
51 HG21 ILE 9 HG21 ILE 9 27.774 -14.028 3.837
52 HG22 ILE 9 HG22 ILE 9 27.052 -14.467 2.287
53 HG23 ILE 9 HG23 ILE 9 27.890 -12.926 2.464
54 HD11 ILE 9 HD11 ILE 9 27.321 -14.890 0.336
55 HD12 ILE 9 HD12 ILE 9 28.344 -16.323 0.427
56 HD13 ILE 9 HD13 ILE 9 28.461 -15.242 -0.963
57 HN1 NH2 10 HN1 NH2 10 32.443 -13.228 1.699
58 HN2 NH2 10 HN2 NH2 10 33.412 -14.616 1.845
Start of MODEL 18
1 H1 GLY 1 H1 GLY 1 21.707 -4.661 -4.909
2 H2 GLY 1 H2 GLY 1 20.813 -5.192 -6.254
3 H3 GLY 1 H3 GLY 1 21.123 -3.535 -6.035
4 HA2 GLY 1 HA2 GLY 1 22.608 -5.310 -7.523
5 HA3 GLY 1 HA3 GLY 1 23.052 -3.659 -7.090
6 H GLU 2 H GLU 2 23.562 -7.019 -6.459
7 HA GLU 2 HA GLU 2 25.120 -6.656 -4.060
8 HB2 GLU 2 HB2 GLU 2 25.638 -9.045 -4.315
9 HB3 GLU 2 HB3 GLU 2 23.908 -8.753 -4.485
10 HG2 GLU 2 HG2 GLU 2 24.187 -8.728 -6.962
11 HG3 GLU 2 HG3 GLU 2 25.890 -9.130 -6.750
12 H CGU 3 H CGU 3 27.345 -6.717 -3.845
13 HA CGU 3 HA CGU 3 29.073 -7.095 -6.127
14 HB2 CGU 3 HB2 CGU 3 28.205 -4.713 -6.336
15 HB3 CGU 3 HB3 CGU 3 29.080 -4.362 -4.844
16 HG CGU 3 HG CGU 3 31.138 -5.340 -5.977
17 H CGU 4 H CGU 4 29.405 -5.098 -3.201
18 HA CGU 4 HA CGU 4 31.860 -6.401 -2.477
19 HB2 CGU 4 HB2 CGU 4 30.120 -4.409 -1.007
20 HB3 CGU 4 HB3 CGU 4 31.697 -4.963 -0.439
21 HG CGU 4 HG CGU 4 31.266 -3.724 -3.161
22 H TYR 5 H TYR 5 28.571 -7.082 -1.974
23 HA TYR 5 HA TYR 5 28.615 -8.249 0.596
24 HB2 TYR 5 HB2 TYR 5 26.557 -7.691 -0.738
25 HB3 TYR 5 HB3 TYR 5 26.895 -9.103 -1.740
26 HD1 TYR 5 HD1 TYR 5 25.971 -7.948 1.643
27 HD2 TYR 5 HD2 TYR 5 26.595 -11.360 -0.893
28 HE1 TYR 5 HE1 TYR 5 24.883 -9.401 3.330
29 HE2 TYR 5 HE2 TYR 5 25.505 -12.813 0.797
30 HH TYR 5 HH TYR 5 23.676 -11.611 3.348
31 H SER 6 H SER 6 29.746 -9.351 -2.496
32 HA SER 6 HA SER 6 29.758 -12.130 -2.078
33 HB2 SER 6 HB2 SER 6 31.472 -12.202 -3.821
34 HB3 SER 6 HB3 SER 6 30.204 -11.062 -4.262
35 HG SER 6 HG SER 6 31.700 -9.602 -4.323
36 H CGU 7 H CGU 7 31.986 -9.601 -1.064
37 HA CGU 7 HA CGU 7 34.004 -11.414 -0.112
38 HB2 CGU 7 HB2 CGU 7 33.612 -8.520 0.670
39 HB3 CGU 7 HB3 CGU 7 35.102 -9.461 0.745
40 HG CGU 7 HG CGU 7 33.588 -8.758 -1.781
41 H ALA 8 H ALA 8 31.161 -9.877 1.219
42 HA ALA 8 HA ALA 8 31.735 -10.230 3.967
43 HB1 ALA 8 HB1 ALA 8 29.924 -8.770 3.094
44 HB2 ALA 8 HB2 ALA 8 29.347 -9.902 4.317
45 HB3 ALA 8 HB3 ALA 8 29.028 -10.211 2.610
46 H ILE 9 H ILE 9 30.249 -12.325 1.543
47 HA ILE 9 HA ILE 9 29.328 -14.346 3.278
48 HB ILE 9 HB ILE 9 30.252 -14.515 0.401
49 HG12 ILE 9 HG12 ILE 9 27.448 -14.415 1.549
50 HG13 ILE 9 HG13 ILE 9 28.308 -12.983 0.983
51 HG21 ILE 9 HG21 ILE 9 28.737 -16.579 0.450
52 HG22 ILE 9 HG22 ILE 9 28.823 -16.475 2.207
53 HG23 ILE 9 HG23 ILE 9 30.292 -16.739 1.267
54 HD11 ILE 9 HD11 ILE 9 26.812 -13.975 -0.762
55 HD12 ILE 9 HD12 ILE 9 27.786 -15.443 -0.711
56 HD13 ILE 9 HD13 ILE 9 28.504 -13.926 -1.253
57 HN1 NH2 10 HN1 NH2 10 32.305 -14.518 1.231
58 HN2 NH2 10 HN2 NH2 10 33.165 -15.487 2.327
Start of MODEL 19
1 H1 GLY 1 H1 GLY 1 25.289 -2.366 -1.149
2 H2 GLY 1 H2 GLY 1 26.529 -2.296 0.010
3 H3 GLY 1 H3 GLY 1 25.750 -3.769 -0.316
4 HA2 GLY 1 HA2 GLY 1 27.073 -2.396 -2.537
5 HA3 GLY 1 HA3 GLY 1 28.081 -3.223 -1.348
6 H GLU 2 H GLU 2 26.311 -3.610 -4.162
7 HA GLU 2 HA GLU 2 25.307 -6.248 -3.867
8 HB2 GLU 2 HB2 GLU 2 26.134 -4.693 -6.330
9 HB3 GLU 2 HB3 GLU 2 25.294 -6.246 -6.369
10 HG2 GLU 2 HG2 GLU 2 24.248 -3.790 -4.937
11 HG3 GLU 2 HG3 GLU 2 23.758 -4.266 -6.561
12 H CGU 3 H CGU 3 28.421 -4.941 -4.879
13 HA CGU 3 HA CGU 3 29.461 -7.570 -5.556
14 HB2 CGU 3 HB2 CGU 3 31.650 -6.089 -5.661
15 HB3 CGU 3 HB3 CGU 3 30.435 -5.991 -6.936
16 HG CGU 3 HG CGU 3 30.250 -4.207 -4.526
17 H CGU 4 H CGU 4 29.471 -5.354 -2.865
18 HA CGU 4 HA CGU 4 31.683 -6.509 -1.469
19 HB2 CGU 4 HB2 CGU 4 29.356 -4.918 -0.361
20 HB3 CGU 4 HB3 CGU 4 30.908 -5.199 0.431
21 HG CGU 4 HG CGU 4 30.576 -3.796 -2.229
22 H TYR 5 H TYR 5 28.362 -7.362 -1.868
23 HA TYR 5 HA TYR 5 27.900 -8.817 0.493
24 HB2 TYR 5 HB2 TYR 5 26.085 -8.269 -1.032
25 HB3 TYR 5 HB3 TYR 5 26.816 -9.251 -2.300
26 HD1 TYR 5 HD1 TYR 5 25.297 -9.385 1.097
27 HD2 TYR 5 HD2 TYR 5 26.518 -11.612 -2.368
28 HE1 TYR 5 HE1 TYR 5 24.147 -11.395 1.985
29 HE2 TYR 5 HE2 TYR 5 25.367 -13.622 -1.480
30 HH TYR 5 HH TYR 5 23.248 -13.897 0.283
31 H SER 6 H SER 6 29.202 -9.846 -2.655
32 HA SER 6 HA SER 6 29.514 -12.573 -2.058
33 HB2 SER 6 HB2 SER 6 31.225 -10.855 -3.870
34 HB3 SER 6 HB3 SER 6 31.119 -12.612 -3.905
35 HG SER 6 HG SER 6 29.214 -12.486 -4.832
36 H CGU 7 H CGU 7 31.702 -9.824 -1.569
37 HA CGU 7 HA CGU 7 33.835 -11.432 -0.515
38 HB2 CGU 7 HB2 CGU 7 33.446 -8.468 -0.101
39 HB3 CGU 7 HB3 CGU 7 34.959 -9.374 -0.104
40 HG CGU 7 HG CGU 7 33.119 -8.988 -2.478
41 H ALA 8 H ALA 8 31.038 -9.812 0.795
42 HA ALA 8 HA ALA 8 31.829 -9.668 3.502
43 HB1 ALA 8 HB1 ALA 8 29.884 -8.451 2.674
44 HB2 ALA 8 HB2 ALA 8 29.398 -9.538 3.973
45 HB3 ALA 8 HB3 ALA 8 29.069 -9.969 2.294
46 H ILE 9 H ILE 9 30.223 -12.208 1.625
47 HA ILE 9 HA ILE 9 29.944 -13.951 3.914
48 HB ILE 9 HB ILE 9 29.178 -15.606 2.219
49 HG12 ILE 9 HG12 ILE 9 29.659 -13.347 0.251
50 HG13 ILE 9 HG13 ILE 9 30.696 -14.765 0.400
51 HG21 ILE 9 HG21 ILE 9 27.623 -13.945 3.230
52 HG22 ILE 9 HG22 ILE 9 27.156 -14.379 1.584
53 HG23 ILE 9 HG23 ILE 9 27.965 -12.844 1.896
54 HD11 ILE 9 HD11 ILE 9 29.074 -15.102 -1.409
55 HD12 ILE 9 HD12 ILE 9 27.745 -14.783 -0.296
56 HD13 ILE 9 HD13 ILE 9 28.745 -16.221 -0.086
57 HN1 NH2 10 HN1 NH2 10 32.585 -13.147 1.946
58 HN2 NH2 10 HN2 NH2 10 33.508 -14.549 2.199
Start of MODEL 20
1 H1 GLY 1 H1 GLY 1 25.264 -3.247 -8.883
2 H2 GLY 1 H2 GLY 1 26.079 -4.618 -9.470
3 H3 GLY 1 H3 GLY 1 26.754 -3.698 -8.211
4 HA2 GLY 1 HA2 GLY 1 25.065 -4.359 -6.693
5 HA3 GLY 1 HA3 GLY 1 24.175 -5.150 -7.995
6 H GLU 2 H GLU 2 25.030 -6.471 -5.637
7 HA GLU 2 HA GLU 2 26.154 -8.345 -4.914
8 HB2 GLU 2 HB2 GLU 2 24.827 -9.272 -6.807
9 HB3 GLU 2 HB3 GLU 2 26.201 -8.982 -7.874
10 HG2 GLU 2 HG2 GLU 2 27.601 -10.462 -6.512
11 HG3 GLU 2 HG3 GLU 2 26.269 -10.717 -5.389
12 H CGU 3 H CGU 3 27.983 -6.952 -4.321
13 HA CGU 3 HA CGU 3 30.422 -7.890 -5.600
14 HB2 CGU 3 HB2 CGU 3 29.712 -5.780 -6.824
15 HB3 CGU 3 HB3 CGU 3 29.984 -4.915 -5.311
16 HG CGU 3 HG CGU 3 32.309 -5.935 -5.286
17 H CGU 4 H CGU 4 29.178 -5.485 -3.272
18 HA CGU 4 HA CGU 4 31.432 -5.848 -1.505
19 HB2 CGU 4 HB2 CGU 4 28.813 -4.368 -1.171
20 HB3 CGU 4 HB3 CGU 4 30.126 -4.345 0.007
21 HG CGU 4 HG CGU 4 30.535 -3.592 -2.887
22 H TYR 5 H TYR 5 28.405 -7.379 -1.989
23 HA TYR 5 HA TYR 5 28.256 -8.441 0.725
24 HB2 TYR 5 HB2 TYR 5 26.207 -7.783 -0.580
25 HB3 TYR 5 HB3 TYR 5 26.534 -9.136 -1.662
26 HD1 TYR 5 HD1 TYR 5 25.670 -8.188 1.815
27 HD2 TYR 5 HD2 TYR 5 26.155 -11.414 -0.982
28 HE1 TYR 5 HE1 TYR 5 24.565 -9.736 3.408
29 HE2 TYR 5 HE2 TYR 5 25.049 -12.962 0.613
30 HH TYR 5 HH TYR 5 24.649 -12.337 3.800
31 H SER 6 H SER 6 29.239 -9.409 -2.490
32 HA SER 6 HA SER 6 29.318 -12.206 -2.096
33 HB2 SER 6 HB2 SER 6 30.892 -12.209 -4.005
34 HB3 SER 6 HB3 SER 6 29.483 -11.201 -4.321
35 HG SER 6 HG SER 6 30.908 -9.704 -4.690
36 H CGU 7 H CGU 7 31.623 -9.637 -1.373
37 HA CGU 7 HA CGU 7 33.710 -11.475 -0.580
38 HB2 CGU 7 HB2 CGU 7 34.896 -9.430 0.137
39 HB3 CGU 7 HB3 CGU 7 34.290 -9.286 -1.514
40 HG CGU 7 HG CGU 7 32.187 -8.240 -0.401
41 H ALA 8 H ALA 8 31.019 -9.890 0.910
42 HA ALA 8 HA ALA 8 31.901 -9.886 3.599
43 HB1 ALA 8 HB1 ALA 8 29.898 -8.657 2.731
44 HB2 ALA 8 HB2 ALA 8 29.571 -9.603 4.181
45 HB3 ALA 8 HB3 ALA 8 29.060 -10.203 2.602
46 H ILE 9 H ILE 9 30.261 -12.319 1.622
47 HA ILE 9 HA ILE 9 30.048 -14.178 3.839
48 HB ILE 9 HB ILE 9 29.150 -15.722 2.101
49 HG12 ILE 9 HG12 ILE 9 29.561 -13.353 0.251
50 HG13 ILE 9 HG13 ILE 9 30.554 -14.810 0.238
51 HG21 ILE 9 HG21 ILE 9 27.734 -14.023 3.323
52 HG22 ILE 9 HG22 ILE 9 27.098 -14.495 1.745
53 HG23 ILE 9 HG23 ILE 9 27.931 -12.952 1.934
54 HD11 ILE 9 HD11 ILE 9 27.569 -14.671 -0.272
55 HD12 ILE 9 HD12 ILE 9 28.506 -16.162 -0.189
56 HD13 ILE 9 HD13 ILE 9 28.818 -14.994 -1.475
57 HN1 NH2 10 HN1 NH2 10 32.400 -13.470 1.358
58 HN2 NH2 10 HN2 NH2 10 33.386 -14.823 1.637
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