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 |
|
|
597646 |
2n7n   |
25813 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ACE 3 2H1 ACE 3 3.386 -5.610 -0.784
2 H2 ACE 3 3H1 ACE 3 4.789 -4.603 -0.352
3 H3 ACE 3 1H1 ACE 3 3.875 -5.476 0.922
4 H NLE 4 H NLE 4 4.126 -2.992 1.494
5 HA NLE 4 HA NLE 4 1.419 -1.685 0.920
6 HB2 NLE 4 2HB NLE 4 1.802 -0.448 3.035
7 HB3 NLE 4 1HB NLE 4 3.373 -1.185 3.235
8 HG2 NLE 4 2HG NLE 4 2.304 -3.437 3.571
9 HG3 NLE 4 1HG NLE 4 0.714 -2.758 3.233
10 HD2 NLE 4 2HD NLE 4 0.918 -1.241 5.252
11 HD3 NLE 4 1HD NLE 4 2.517 -1.908 5.597
12 HE1 NLE 4 3HE NLE 4 0.756 -3.026 7.006
13 HE2 NLE 4 1HE NLE 4 -0.121 -3.549 5.550
14 HE3 NLE 4 2HE NLE 4 1.491 -4.221 5.911
15 H ASP 5 H ASP 5 1.569 -0.125 -0.565
16 HA ASP 5 HA ASP 5 4.022 1.693 -0.753
17 HB2 ASP 5 HB2 ASP 5 1.693 1.241 -2.676
18 HB3 ASP 5 1HB ASP 5 2.869 2.522 -2.847
19 HA PRO 6 HA PRO 6 1.559 4.701 1.758
20 HB2 PRO 6 HB2 PRO 6 3.799 6.543 0.763
21 HB3 PRO 6 1HB PRO 6 3.093 6.441 2.388
22 HG2 PRO 6 HG2 PRO 6 5.456 5.200 1.909
23 HG3 PRO 6 1HG PRO 6 4.213 4.315 2.826
24 HD2 PRO 6 HD2 PRO 6 4.907 4.009 -0.158
25 HD3 PRO 6 1HD PRO 6 4.596 2.748 1.076
26 HA PRO 7 HA PRO 7 0.311 6.666 2.405
27 HB2 PRO 7 HB2 PRO 7 -2.283 7.561 2.264
28 HB3 PRO 7 1HB PRO 7 -0.889 8.568 1.855
29 HG2 PRO 7 HG2 PRO 7 -2.662 6.990 -0.099
30 HG3 PRO 7 1HG PRO 7 -2.252 8.722 -0.169
31 HD2 PRO 7 HD2 PRO 7 -0.826 6.841 -1.619
32 HD3 PRO 7 1HD PRO 7 -0.001 8.260 -0.915
33 H DPN 8 H PHE 8 -0.677 4.189 0.438
34 HA DPN 8 HA PHE 8 -2.613 2.909 2.422
35 HB2 DPN 8 HB2 PHE 8 -0.121 2.509 3.085
36 HB3 DPN 8 1HB PHE 8 0.072 1.558 1.661
37 HD1 DPN 8 HD1 PHE 8 -1.535 1.724 4.999
38 HD2 DPN 8 HD2 PHE 8 -1.073 -0.700 1.475
39 HE1 DPN 8 HE1 PHE 8 -2.457 -0.217 6.201
40 HE2 DPN 8 HE2 PHE 8 -2.017 -2.626 2.688
41 HZ DPN 8 HZ PHE 8 -2.709 -2.390 5.046
42 H ARG 9 H ARG 9 -0.660 1.883 -0.391
43 HA ARG 9 HA ARG 9 -3.158 0.506 -1.558
44 HB2 ARG 9 HB2 ARG 9 -0.665 1.443 -3.074
45 HB3 ARG 9 1HB ARG 9 -2.019 0.589 -3.767
46 HG2 ARG 9 HG2 ARG 9 -2.097 3.474 -2.647
47 HG3 ARG 9 1HG ARG 9 -1.979 3.017 -4.322
48 HD2 ARG 9 HD2 ARG 9 -4.240 3.645 -4.066
49 HD3 ARG 9 1HD ARG 9 -4.289 1.873 -4.163
50 HE ARG 9 HE ARG 9 -4.072 2.514 -1.336
51 HH11 ARG 9 HH12 ARG 9 -6.436 3.045 -3.834
52 HH12 ARG 9 HH11 ARG 9 -7.811 2.959 -2.627
53 HH21 ARG 9 HH22 ARG 9 -5.577 2.398 -0.051
54 HH22 ARG 9 HH21 ARG 9 -7.329 2.618 -0.545
55 H TRP 10 H TRP 10 -3.033 -1.634 -1.783
56 HA TRP 10 HA TRP 10 -0.622 -3.043 -0.581
57 HB2 TRP 10 1HB TRP 10 -2.738 -3.386 0.576
58 HB3 TRP 10 HB2 TRP 10 -3.531 -3.907 -0.901
59 HD1 TRP 10 HD TRP 10 -3.461 -6.395 -1.491
60 HE1 TRP 10 1HE TRP 10 -2.348 -8.647 -0.558
61 HE3 TRP 10 3HE TRP 10 -0.293 -4.127 1.722
62 HZ2 TRP 10 2HZ TRP 10 -0.212 -9.109 1.272
63 HZ3 TRP 10 3HZ TRP 10 1.344 -5.498 3.001
64 HH2 TRP 10 HH TRP 10 1.384 -7.947 2.772
65 H LYS 11 H LYS 11 0.625 -4.132 -1.780
66 HA LYS 11 HA LYS 11 -0.288 -5.599 -4.316
67 HB2 LYS 11 HB2 LYS 11 1.833 -5.008 -5.391
68 HB3 LYS 11 1HB LYS 11 0.790 -3.630 -5.057
69 HG2 LYS 11 HG2 LYS 11 2.265 -3.060 -3.061
70 HG3 LYS 11 1HG LYS 11 3.369 -4.348 -3.522
71 HD2 LYS 11 HD2 LYS 11 3.978 -3.247 -5.599
72 HD3 LYS 11 1HD LYS 11 2.593 -2.176 -5.586
73 HE2 LYS 11 HE2 LYS 11 4.897 -1.998 -3.528
74 HE3 LYS 11 1HE LYS 11 4.801 -1.055 -5.019
75 HZ1 LYS 11 HZ LYS 11 2.344 -0.789 -3.296
76 HN1 NH2 12 H NH2 12 0.948 -8.271 -2.192
77 HN2 NH2 12 2HN NH2 12 -0.554 -7.273 -2.494
Start of MODEL 2
1 H1 ACE 3 2H1 ACE 3 4.701 -5.308 -0.675
2 H2 ACE 3 3H1 ACE 3 4.619 -5.497 1.105
3 H3 ACE 3 1H1 ACE 3 3.511 -6.411 0.063
4 H NLE 4 H NLE 4 4.496 -3.129 0.806
5 HA NLE 4 HA NLE 4 1.641 -2.087 0.408
6 HB2 NLE 4 2HB NLE 4 3.396 -1.560 2.878
7 HB3 NLE 4 1HB NLE 4 2.131 -2.781 2.800
8 HG2 NLE 4 2HG NLE 4 0.405 -1.020 2.352
9 HG3 NLE 4 1HG NLE 4 1.619 0.244 2.490
10 HD2 NLE 4 2HD NLE 4 0.940 -1.761 4.755
11 HD3 NLE 4 1HD NLE 4 0.195 -0.185 4.582
12 HE1 NLE 4 3HE NLE 4 2.031 -0.034 6.244
13 HE2 NLE 4 1HE NLE 4 3.219 -0.632 5.067
14 HE3 NLE 4 2HE NLE 4 2.451 0.959 4.830
15 H ASP 5 H ASP 5 1.492 -0.186 -0.465
16 HA ASP 5 HA ASP 5 3.953 1.607 -0.913
17 HB2 ASP 5 HB2 ASP 5 1.407 1.292 -2.586
18 HB3 ASP 5 1HB ASP 5 2.618 2.525 -2.817
19 HA PRO 6 HA PRO 6 1.421 4.446 1.834
20 HB2 PRO 6 HB2 PRO 6 3.813 6.242 1.182
21 HB3 PRO 6 1HB PRO 6 3.013 5.985 2.744
22 HG2 PRO 6 HG2 PRO 6 5.373 4.734 2.240
23 HG3 PRO 6 1HG PRO 6 4.067 3.801 3.011
24 HD2 PRO 6 HD2 PRO 6 4.852 3.793 0.025
25 HD3 PRO 6 1HD PRO 6 4.518 2.405 1.112
26 HA PRO 7 HA PRO 7 0.348 6.572 2.469
27 HB2 PRO 7 HB2 PRO 7 -2.121 7.740 2.183
28 HB3 PRO 7 1HB PRO 7 -0.606 8.599 1.884
29 HG2 PRO 7 HG2 PRO 7 -2.405 7.247 -0.210
30 HG3 PRO 7 1HG PRO 7 -1.807 8.924 -0.220
31 HD2 PRO 7 HD2 PRO 7 -0.503 6.913 -1.613
32 HD3 PRO 7 1HD PRO 7 0.423 8.229 -0.838
33 H DPN 8 H PHE 8 -0.965 4.344 0.293
34 HA DPN 8 HA PHE 8 -3.094 3.230 2.119
35 HB2 DPN 8 HB2 PHE 8 -0.683 2.604 3.048
36 HB3 DPN 8 1HB PHE 8 -0.539 1.524 1.719
37 HD1 DPN 8 HD1 PHE 8 -2.287 2.200 4.907
38 HD2 DPN 8 HD2 PHE 8 -2.004 -0.560 1.621
39 HE1 DPN 8 HE1 PHE 8 -3.436 0.477 6.244
40 HE2 DPN 8 HE2 PHE 8 -3.151 -2.275 2.977
41 HZ DPN 8 HZ PHE 8 -3.864 -1.760 5.282
42 H ARG 9 H ARG 9 -0.912 2.087 -0.439
43 HA ARG 9 HA ARG 9 -3.278 0.585 -1.723
44 HB2 ARG 9 HB2 ARG 9 -2.480 2.287 -3.245
45 HB3 ARG 9 1HB ARG 9 -0.816 1.734 -3.093
46 HG2 ARG 9 HG2 ARG 9 -1.697 1.095 -5.232
47 HG3 ARG 9 1HG ARG 9 -1.299 -0.345 -4.351
48 HD2 ARG 9 HD2 ARG 9 -4.211 0.673 -4.209
49 HD3 ARG 9 1HD ARG 9 -3.644 0.054 -5.764
50 HE ARG 9 HE ARG 9 -2.842 -2.011 -3.971
51 HH11 ARG 9 HH22 ARG 9 -5.902 -0.586 -4.834
52 HH12 ARG 9 HH21 ARG 9 -6.775 -2.169 -4.555
53 HH21 ARG 9 HH12 ARG 9 -3.818 -3.715 -3.672
54 HH22 ARG 9 HH11 ARG 9 -5.629 -3.881 -3.924
55 H TRP 10 H TRP 10 -3.090 -1.446 -1.557
56 HA TRP 10 HA TRP 10 -0.612 -2.793 -0.388
57 HB2 TRP 10 1HB TRP 10 -2.781 -3.077 0.809
58 HB3 TRP 10 HB2 TRP 10 -3.495 -3.839 -0.599
59 HD1 TRP 10 HD TRP 10 -2.845 -6.327 -1.105
60 HE1 TRP 10 1HE TRP 10 -1.480 -8.294 0.116
61 HE3 TRP 10 3HE TRP 10 -0.722 -3.392 2.425
62 HZ2 TRP 10 2HZ TRP 10 0.321 -8.288 2.327
63 HZ3 TRP 10 3HZ TRP 10 0.852 -4.393 4.065
64 HH2 TRP 10 HH TRP 10 1.376 -6.797 4.005
65 H LYS 11 H LYS 11 0.517 -4.154 -1.487
66 HA LYS 11 HA LYS 11 -0.270 -5.109 -4.286
67 HB2 LYS 11 HB2 LYS 11 1.991 -4.660 -5.050
68 HB3 LYS 11 1HB LYS 11 1.125 -3.216 -4.545
69 HG2 LYS 11 HG2 LYS 11 2.463 -3.138 -2.415
70 HG3 LYS 11 1HG LYS 11 3.315 -4.604 -2.889
71 HD2 LYS 11 HD2 LYS 11 4.701 -2.622 -3.313
72 HD3 LYS 11 1HD LYS 11 4.359 -3.467 -4.809
73 HE2 LYS 11 HE2 LYS 11 4.299 -1.054 -5.187
74 HE3 LYS 11 1HE LYS 11 2.714 -1.724 -5.490
75 HZ1 LYS 11 HZ LYS 11 1.962 -0.821 -3.170
76 HN1 NH2 12 H NH2 12 1.615 -6.133 -1.365
77 HN2 NH2 12 2HN NH2 12 1.709 -7.852 -2.032
Start of MODEL 3
1 H1 ACE 3 2H1 ACE 3 4.713 -2.700 -0.327
2 H2 ACE 3 3H1 ACE 3 4.733 -3.010 1.435
3 H3 ACE 3 1H1 ACE 3 5.104 -4.324 0.293
4 H NLE 4 H NLE 4 1.172 -3.583 0.938
5 HA NLE 4 HA NLE 4 1.003 -1.276 1.150
6 HB2 NLE 4 2HB NLE 4 2.124 -0.579 3.098
7 HB3 NLE 4 1HB NLE 4 3.408 -1.761 2.895
8 HG2 NLE 4 2HG NLE 4 1.842 -3.617 3.425
9 HG3 NLE 4 1HG NLE 4 0.469 -2.506 3.475
10 HD2 NLE 4 2HD NLE 4 1.504 -1.294 5.436
11 HD3 NLE 4 1HD NLE 4 2.907 -2.364 5.376
12 HE1 NLE 4 3HE NLE 4 1.426 -4.366 5.880
13 HE2 NLE 4 1HE NLE 4 1.269 -3.116 7.135
14 HE3 NLE 4 2HE NLE 4 -0.006 -3.301 5.909
15 H ASP 5 H ASP 5 1.334 -0.164 -0.661
16 HA ASP 5 HA ASP 5 3.954 1.404 -0.986
17 HB2 ASP 5 HB2 ASP 5 1.503 1.106 -2.808
18 HB3 ASP 5 1HB ASP 5 2.608 2.443 -2.956
19 HA PRO 6 HA PRO 6 1.738 4.544 1.650
20 HB2 PRO 6 HB2 PRO 6 3.935 6.324 0.475
21 HB3 PRO 6 1HB PRO 6 3.353 6.239 2.150
22 HG2 PRO 6 HG2 PRO 6 5.655 4.963 1.488
23 HG3 PRO 6 1HG PRO 6 4.480 4.102 2.510
24 HD2 PRO 6 HD2 PRO 6 4.915 3.774 -0.523
25 HD3 PRO 6 1HD PRO 6 4.711 2.517 0.743
26 HA PRO 7 HA PRO 7 0.439 6.246 2.303
27 HB2 PRO 7 HB2 PRO 7 -1.807 7.735 2.315
28 HB3 PRO 7 1HB PRO 7 -0.256 8.424 1.822
29 HG2 PRO 7 HG2 PRO 7 -2.478 7.370 -0.018
30 HG3 PRO 7 1HG PRO 7 -1.681 8.961 -0.089
31 HD2 PRO 7 HD2 PRO 7 -0.853 6.769 -1.641
32 HD3 PRO 7 1HD PRO 7 0.277 8.041 -1.105
33 H DPN 8 H PHE 8 0.001 3.794 1.018
34 HA DPN 8 HA PHE 8 -2.303 2.783 2.750
35 HB2 DPN 8 HB2 PHE 8 0.217 2.016 3.009
36 HB3 DPN 8 1HB PHE 8 0.010 1.117 1.555
37 HD1 DPN 8 HD1 PHE 8 -0.725 1.258 5.133
38 HD2 DPN 8 HD2 PHE 8 -1.763 -0.792 1.498
39 HE1 DPN 8 HE1 PHE 8 -1.722 -0.564 6.438
40 HE2 DPN 8 HE2 PHE 8 -2.786 -2.594 2.813
41 HZ DPN 8 HZ PHE 8 -2.765 -2.496 5.286
42 H ARG 9 H ARG 9 -0.810 1.936 -0.373
43 HA ARG 9 HA ARG 9 -3.428 0.564 -1.223
44 HB2 ARG 9 HB2 ARG 9 -1.295 1.919 -2.986
45 HB3 ARG 9 1HB ARG 9 -2.176 0.545 -3.570
46 HG2 ARG 9 HG2 ARG 9 -3.334 2.304 -4.487
47 HG3 ARG 9 1HG ARG 9 -4.402 1.724 -3.245
48 HD2 ARG 9 HD2 ARG 9 -2.565 4.214 -2.927
49 HD3 ARG 9 1HD ARG 9 -4.201 4.271 -3.609
50 HE ARG 9 HE ARG 9 -4.026 2.956 -0.897
51 HH11 ARG 9 HH22 ARG 9 -4.477 6.030 -2.461
52 HH12 ARG 9 HH21 ARG 9 -5.119 6.779 -0.917
53 HH21 ARG 9 HH12 ARG 9 -4.697 3.810 0.777
54 HH22 ARG 9 HH11 ARG 9 -5.184 5.566 0.863
55 H TRP 10 H TRP 10 -3.145 -1.609 -1.777
56 HA TRP 10 HA TRP 10 -0.707 -2.882 -0.479
57 HB2 TRP 10 1HB TRP 10 -2.885 -3.488 0.461
58 HB3 TRP 10 HB2 TRP 10 -3.471 -4.020 -1.107
59 HD1 TRP 10 HD TRP 10 -2.711 -6.353 -2.008
60 HE1 TRP 10 1HE TRP 10 -1.463 -8.512 -1.035
61 HE3 TRP 10 3HE TRP 10 -0.972 -4.117 2.182
62 HZ2 TRP 10 2HZ TRP 10 0.085 -8.933 1.324
63 HZ3 TRP 10 3HZ TRP 10 0.415 -5.425 3.779
64 HH2 TRP 10 HH TRP 10 0.952 -7.784 3.343
65 H LYS 11 H LYS 11 0.722 -3.832 -1.620
66 HA LYS 11 HA LYS 11 0.176 -4.896 -4.444
67 HB2 LYS 11 HB2 LYS 11 2.493 -4.658 -4.990
68 HB3 LYS 11 1HB LYS 11 1.744 -3.133 -4.548
69 HG2 LYS 11 HG2 LYS 11 2.886 -3.240 -2.299
70 HG3 LYS 11 1HG LYS 11 3.664 -4.748 -2.760
71 HD2 LYS 11 HD2 LYS 11 5.216 -2.864 -2.994
72 HD3 LYS 11 1HD LYS 11 4.939 -3.624 -4.547
73 HE2 LYS 11 HE2 LYS 11 5.103 -1.154 -4.723
74 HE3 LYS 11 1HE LYS 11 3.562 -1.738 -5.333
75 HZ1 LYS 11 HZ LYS 11 2.772 -1.070 -2.754
76 HN1 NH2 12 H NH2 12 1.966 -6.001 -1.413
77 HN2 NH2 12 2HN NH2 12 1.746 -7.740 -1.978
Start of MODEL 4
1 H1 ACE 3 2H1 ACE 3 3.425 -5.535 -0.852
2 H2 ACE 3 3H1 ACE 3 4.807 -4.727 -0.067
3 H3 ACE 3 1H1 ACE 3 3.578 -5.587 0.919
4 H NLE 4 H NLE 4 3.829 -3.262 1.855
5 HA NLE 4 HA NLE 4 1.443 -1.678 0.921
6 HB2 NLE 4 2HB NLE 4 1.180 -2.294 3.104
7 HB3 NLE 4 1HB NLE 4 1.548 -0.603 3.124
8 HG2 NLE 4 2HG NLE 4 2.786 -1.154 4.941
9 HG3 NLE 4 1HG NLE 4 4.054 -1.388 3.752
10 HD2 NLE 4 2HD NLE 4 3.490 -3.907 3.726
11 HD3 NLE 4 1HD NLE 4 2.215 -3.609 4.906
12 HE1 NLE 4 3HE NLE 4 3.938 -2.782 6.574
13 HE2 NLE 4 1HE NLE 4 4.292 -4.439 6.026
14 HE3 NLE 4 2HE NLE 4 5.230 -3.072 5.376
15 H ASP 5 H ASP 5 1.819 -0.186 -0.477
16 HA ASP 5 HA ASP 5 4.239 1.684 -0.310
17 HB2 ASP 5 HB2 ASP 5 2.118 1.147 -2.498
18 HB3 ASP 5 1HB ASP 5 3.173 2.519 -2.565
19 HA PRO 6 HA PRO 6 1.484 4.841 1.532
20 HB2 PRO 6 HB2 PRO 6 2.863 7.195 1.040
21 HB3 PRO 6 1HB PRO 6 3.403 5.949 2.176
22 HG2 PRO 6 HG2 PRO 6 4.298 6.322 -0.736
23 HG3 PRO 6 1HG PRO 6 5.336 6.145 0.700
24 HD2 PRO 6 HD2 PRO 6 4.724 4.003 -0.943
25 HD3 PRO 6 1HD PRO 6 4.914 3.768 0.823
26 HA PRO 7 HA PRO 7 -0.048 6.444 1.949
27 HB2 PRO 7 HB2 PRO 7 -2.428 7.682 1.718
28 HB3 PRO 7 1HB PRO 7 -0.937 8.471 1.183
29 HG2 PRO 7 HG2 PRO 7 -2.981 6.981 -0.565
30 HG3 PRO 7 1HG PRO 7 -2.331 8.622 -0.819
31 HD2 PRO 7 HD2 PRO 7 -1.253 6.335 -2.054
32 HD3 PRO 7 1HD PRO 7 -0.268 7.770 -1.670
33 H DPN 8 H PHE 8 -0.036 3.925 1.416
34 HA DPN 8 HA PHE 8 -2.494 2.783 2.777
35 HB2 DPN 8 HB2 PHE 8 -0.025 2.322 3.495
36 HB3 DPN 8 1HB PHE 8 0.176 1.387 2.064
37 HD1 DPN 8 HD1 PHE 8 -1.212 1.436 5.436
38 HD2 DPN 8 HD2 PHE 8 -1.208 -0.771 1.741
39 HE1 DPN 8 HE1 PHE 8 -2.013 -0.554 6.618
40 HE2 DPN 8 HE2 PHE 8 -2.018 -2.757 2.937
41 HZ DPN 8 HZ PHE 8 -2.422 -2.666 5.377
42 H ARG 9 H ARG 9 -0.454 1.882 -0.016
43 HA ARG 9 HA ARG 9 -2.909 0.734 -1.487
44 HB2 ARG 9 HB2 ARG 9 -0.239 1.565 -2.729
45 HB3 ARG 9 1HB ARG 9 -1.691 1.082 -3.567
46 HG2 ARG 9 HG2 ARG 9 -1.245 3.739 -2.038
47 HG3 ARG 9 1HG ARG 9 -1.164 3.504 -3.759
48 HD2 ARG 9 HD2 ARG 9 -3.237 4.539 -3.470
49 HD3 ARG 9 1HD ARG 9 -3.683 2.846 -3.754
50 HE ARG 9 HE ARG 9 -3.495 2.920 -0.935
51 HH11 ARG 9 HH12 ARG 9 -5.300 4.907 -3.150
52 HH12 ARG 9 HH11 ARG 9 -6.529 5.322 -1.856
53 HH21 ARG 9 HH22 ARG 9 -4.830 3.412 0.458
54 HH22 ARG 9 HH21 ARG 9 -6.256 4.506 0.122
55 H TRP 10 H TRP 10 -2.863 -1.437 -1.664
56 HA TRP 10 HA TRP 10 -0.454 -2.919 -0.544
57 HB2 TRP 10 1HB TRP 10 -2.536 -3.144 0.690
58 HB3 TRP 10 HB2 TRP 10 -3.389 -3.705 -0.738
59 HD1 TRP 10 HD TRP 10 -3.391 -6.198 -1.228
60 HE1 TRP 10 1HE TRP 10 -2.227 -8.440 -0.319
61 HE3 TRP 10 3HE TRP 10 -0.083 -3.891 1.851
62 HZ2 TRP 10 2HZ TRP 10 -0.053 -8.881 1.461
63 HZ3 TRP 10 3HZ TRP 10 1.558 -5.253 3.105
64 HH2 TRP 10 HH TRP 10 1.580 -7.707 2.912
65 H LYS 11 H LYS 11 0.738 -3.985 -1.759
66 HA LYS 11 HA LYS 11 -0.051 -5.054 -4.548
67 HB2 LYS 11 HB2 LYS 11 2.628 -4.240 -3.250
68 HB3 LYS 11 1HB LYS 11 2.558 -5.122 -4.750
69 HG2 LYS 11 HG2 LYS 11 1.703 -3.372 -6.016
70 HG3 LYS 11 1HG LYS 11 0.893 -2.573 -4.680
71 HD2 LYS 11 HD2 LYS 11 3.966 -2.698 -4.824
72 HD3 LYS 11 1HD LYS 11 3.049 -1.494 -5.723
73 HE2 LYS 11 HE2 LYS 11 1.977 -0.627 -3.650
74 HE3 LYS 11 1HE LYS 11 2.819 -1.826 -2.651
75 HZ1 LYS 11 HZ LYS 11 4.951 -0.587 -4.069
76 HN1 NH2 12 H NH2 12 -1.079 -7.002 -3.647
77 HN2 NH2 12 2HN NH2 12 0.013 -8.316 -2.971
Start of MODEL 5
1 H1 ACE 3 2H1 ACE 3 4.636 -5.633 0.553
2 H2 ACE 3 3H1 ACE 3 3.691 -5.931 -0.926
3 H3 ACE 3 1H1 ACE 3 5.035 -4.760 -0.965
4 H NLE 4 H NLE 4 4.748 -3.127 0.942
5 HA NLE 4 HA NLE 4 1.870 -2.033 0.938
6 HB2 NLE 4 2HB NLE 4 4.010 -1.671 3.091
7 HB3 NLE 4 1HB NLE 4 2.701 -2.843 3.165
8 HG2 NLE 4 2HG NLE 4 2.276 0.207 3.050
9 HG3 NLE 4 1HG NLE 4 2.384 -0.700 4.536
10 HD2 NLE 4 2HD NLE 4 0.219 -1.234 2.390
11 HD3 NLE 4 1HD NLE 4 0.031 -0.135 3.743
12 HE1 NLE 4 3HE NLE 4 0.327 -2.002 5.403
13 HE2 NLE 4 1HE NLE 4 -1.005 -2.347 4.280
14 HE3 NLE 4 2HE NLE 4 0.559 -3.168 4.081
15 H ASP 5 H ASP 5 1.631 -0.254 -0.079
16 HA ASP 5 HA ASP 5 3.974 1.653 -0.668
17 HB2 ASP 5 HB2 ASP 5 1.416 1.115 -2.255
18 HB3 ASP 5 1HB ASP 5 2.512 2.443 -2.589
19 HA PRO 6 HA PRO 6 1.242 4.591 1.718
20 HB2 PRO 6 HB2 PRO 6 2.985 6.707 1.967
21 HB3 PRO 6 1HB PRO 6 3.206 5.180 2.837
22 HG2 PRO 6 HG2 PRO 6 4.570 6.055 0.236
23 HG3 PRO 6 1HG PRO 6 5.343 5.384 1.691
24 HD2 PRO 6 HD2 PRO 6 4.637 3.852 -0.556
25 HD3 PRO 6 1HD PRO 6 4.708 3.144 1.090
26 HA PRO 7 HA PRO 7 0.234 6.796 2.254
27 HB2 PRO 7 HB2 PRO 7 -2.151 8.083 1.860
28 HB3 PRO 7 1HB PRO 7 -0.588 8.844 1.540
29 HG2 PRO 7 HG2 PRO 7 -2.433 7.478 -0.508
30 HG3 PRO 7 1HG PRO 7 -1.751 9.121 -0.596
31 HD2 PRO 7 HD2 PRO 7 -0.533 6.969 -1.858
32 HD3 PRO 7 1HD PRO 7 0.443 8.286 -1.152
33 H DPN 8 H PHE 8 -0.974 4.439 0.226
34 HA DPN 8 HA PHE 8 -3.319 3.576 1.899
35 HB2 DPN 8 HB2 PHE 8 -1.124 3.023 3.240
36 HB3 DPN 8 1HB PHE 8 -0.770 1.820 2.061
37 HD1 DPN 8 HD1 PHE 8 -2.267 -0.243 1.869
38 HD2 DPN 8 HD2 PHE 8 -2.966 2.743 4.881
39 HE1 DPN 8 HE1 PHE 8 -3.687 -1.820 3.106
40 HE2 DPN 8 HE2 PHE 8 -4.378 1.153 6.118
41 HZ DPN 8 HZ PHE 8 -4.748 -1.131 5.235
42 H ARG 9 H ARG 9 -0.880 1.953 -0.128
43 HA ARG 9 HA ARG 9 -3.158 0.332 -1.343
44 HB2 ARG 9 HB2 ARG 9 -0.854 1.643 -2.843
45 HB3 ARG 9 1HB ARG 9 -1.199 0.013 -3.300
46 HG2 ARG 9 HG2 ARG 9 -3.143 2.372 -3.454
47 HG3 ARG 9 1HG ARG 9 -2.366 1.547 -4.785
48 HD2 ARG 9 HD2 ARG 9 -4.679 0.543 -3.035
49 HD3 ARG 9 1HD ARG 9 -4.673 0.881 -4.764
50 HE ARG 9 HE ARG 9 -2.749 -1.306 -4.165
51 HH11 ARG 9 HH12 ARG 9 -6.153 -0.733 -4.576
52 HH12 ARG 9 HH11 ARG 9 -6.491 -2.513 -4.835
53 HH21 ARG 9 HH22 ARG 9 -3.186 -3.326 -4.273
54 HH22 ARG 9 HH21 ARG 9 -4.865 -3.886 -4.725
55 H TRP 10 H TRP 10 -2.841 -1.754 -1.547
56 HA TRP 10 HA TRP 10 -0.357 -3.061 -0.324
57 HB2 TRP 10 1HB TRP 10 -2.413 -3.563 0.915
58 HB3 TRP 10 HB2 TRP 10 -3.254 -4.060 -0.544
59 HD1 TRP 10 HD TRP 10 -3.054 -6.510 -1.278
60 HE1 TRP 10 1HE TRP 10 -1.686 -8.711 -0.578
61 HE3 TRP 10 3HE TRP 10 0.036 -4.208 1.997
62 HZ2 TRP 10 2HZ TRP 10 0.557 -9.106 1.119
63 HZ3 TRP 10 3HZ TRP 10 1.843 -5.508 3.095
64 HH2 TRP 10 HH TRP 10 2.103 -7.920 2.660
65 H LYS 11 H LYS 11 0.788 -4.331 -1.518
66 HA LYS 11 HA LYS 11 0.063 -4.995 -4.450
67 HB2 LYS 11 HB2 LYS 11 2.767 -4.471 -3.064
68 HB3 LYS 11 1HB LYS 11 2.619 -5.091 -4.695
69 HG2 LYS 11 HG2 LYS 11 1.508 -3.033 -5.494
70 HG3 LYS 11 1HG LYS 11 1.396 -2.407 -3.846
71 HD2 LYS 11 HD2 LYS 11 3.947 -2.411 -3.677
72 HD3 LYS 11 1HD LYS 11 4.035 -2.954 -5.344
73 HE2 LYS 11 HE2 LYS 11 4.434 -0.553 -5.318
74 HE3 LYS 11 1HE LYS 11 2.892 -0.825 -6.107
75 HZ1 LYS 11 HZ LYS 11 1.721 0.217 -4.201
76 HN1 NH2 12 H NH2 12 -0.986 -7.045 -3.850
77 HN2 NH2 12 2HN NH2 12 0.088 -8.419 -3.272
Start of MODEL 6
1 H1 ACE 3 2H1 ACE 3 4.755 -5.156 -0.259
2 H2 ACE 3 3H1 ACE 3 3.796 -6.050 0.963
3 H3 ACE 3 1H1 ACE 3 3.361 -6.152 -0.753
4 H NLE 4 H NLE 4 3.748 -3.876 1.887
5 HA NLE 4 HA NLE 4 1.263 -2.315 1.048
6 HB2 NLE 4 2HB NLE 4 1.454 -1.353 3.399
7 HB3 NLE 4 1HB NLE 4 2.828 -2.385 3.690
8 HG2 NLE 4 2HG NLE 4 1.252 -4.418 3.262
9 HG3 NLE 4 1HG NLE 4 -0.084 -3.273 3.121
10 HD2 NLE 4 2HD NLE 4 0.466 -2.452 5.513
11 HD3 NLE 4 1HD NLE 4 1.721 -3.684 5.606
12 HE1 NLE 4 3HE NLE 4 -0.394 -4.502 6.684
13 HE2 NLE 4 1HE NLE 4 -1.300 -4.261 5.174
14 HE3 NLE 4 2HE NLE 4 -0.030 -5.509 5.264
15 H ASP 5 H ASP 5 1.606 -0.446 0.045
16 HA ASP 5 HA ASP 5 3.996 1.300 0.685
17 HB2 ASP 5 HB2 ASP 5 4.445 1.554 -1.677
18 HB3 ASP 5 1HB ASP 5 4.563 -0.114 -1.158
19 HA PRO 6 HA PRO 6 1.369 4.734 1.073
20 HB2 PRO 6 HB2 PRO 6 2.916 6.946 0.347
21 HB3 PRO 6 1HB PRO 6 3.166 5.950 1.789
22 HG2 PRO 6 HG2 PRO 6 4.564 5.673 -0.930
23 HG3 PRO 6 1HG PRO 6 5.329 5.786 0.674
24 HD2 PRO 6 HD2 PRO 6 4.940 3.363 -0.498
25 HD3 PRO 6 1HD PRO 6 4.652 3.529 1.260
26 HA PRO 7 HA PRO 7 0.391 7.145 0.940
27 HB2 PRO 7 HB2 PRO 7 -2.219 7.973 0.570
28 HB3 PRO 7 1HB PRO 7 -0.833 8.696 -0.256
29 HG2 PRO 7 HG2 PRO 7 -2.706 6.518 -1.348
30 HG3 PRO 7 1HG PRO 7 -2.273 8.060 -2.125
31 HD2 PRO 7 HD2 PRO 7 -0.943 5.721 -2.756
32 HD3 PRO 7 1HD PRO 7 -0.052 7.267 -2.682
33 H DPN 8 H PHE 8 -1.085 4.226 0.095
34 HA DPN 8 HA PHE 8 -2.592 3.812 2.690
35 HB2 DPN 8 HB2 PHE 8 -0.097 3.655 3.264
36 HB3 DPN 8 1HB PHE 8 0.089 2.337 2.170
37 HD1 DPN 8 HD1 PHE 8 -0.814 0.067 2.726
38 HD2 DPN 8 HD2 PHE 8 -1.386 3.366 5.427
39 HE1 DPN 8 HE1 PHE 8 -1.532 -1.490 4.489
40 HE2 DPN 8 HE2 PHE 8 -2.069 1.789 7.193
41 HZ DPN 8 HZ PHE 8 -2.147 -0.639 6.728
42 H ARG 9 H ARG 9 -0.899 1.772 0.285
43 HA ARG 9 HA ARG 9 -3.460 0.163 -0.119
44 HB2 ARG 9 HB2 ARG 9 -3.169 0.223 -2.493
45 HB3 ARG 9 1HB ARG 9 -3.246 1.868 -1.922
46 HG2 ARG 9 HG2 ARG 9 -0.950 2.332 -2.427
47 HG3 ARG 9 1HG ARG 9 -0.453 0.672 -2.379
48 HD2 ARG 9 HD2 ARG 9 -2.234 1.854 -4.604
49 HD3 ARG 9 1HD ARG 9 -0.469 1.655 -4.696
50 HE ARG 9 HE ARG 9 -1.554 -0.952 -3.967
51 HH11 ARG 9 HH22 ARG 9 -1.603 1.140 -6.741
52 HH12 ARG 9 HH21 ARG 9 -1.985 -0.254 -7.867
53 HH21 ARG 9 HH12 ARG 9 -2.025 -2.453 -5.201
54 HH22 ARG 9 HH11 ARG 9 -2.210 -2.226 -7.015
55 H TRP 10 H TRP 10 -3.167 -1.943 -0.991
56 HA TRP 10 HA TRP 10 -0.485 -3.277 -0.466
57 HB2 TRP 10 1HB TRP 10 -2.495 -4.357 0.481
58 HB3 TRP 10 HB2 TRP 10 -3.257 -4.437 -1.099
59 HD1 TRP 10 HD TRP 10 -2.471 -6.315 -2.770
60 HE1 TRP 10 1HE TRP 10 -0.974 -8.531 -2.641
61 HE3 TRP 10 3HE TRP 10 -0.374 -5.273 1.703
62 HZ2 TRP 10 2HZ TRP 10 0.886 -9.482 -0.696
63 HZ3 TRP 10 3HZ TRP 10 1.302 -6.839 2.670
64 HH2 TRP 10 HH TRP 10 1.924 -8.905 1.482
65 H LYS 11 H LYS 11 0.759 -3.835 -2.067
66 HA LYS 11 HA LYS 11 -0.364 -4.339 -4.858
67 HB2 LYS 11 HB2 LYS 11 1.474 -3.453 -5.980
68 HB3 LYS 11 1HB LYS 11 0.851 -2.219 -4.896
69 HG2 LYS 11 HG2 LYS 11 2.815 -2.649 -3.328
70 HG3 LYS 11 1HG LYS 11 3.415 -3.862 -4.457
71 HD2 LYS 11 HD2 LYS 11 4.678 -1.921 -5.011
72 HD3 LYS 11 1HD LYS 11 3.502 -2.066 -6.291
73 HE2 LYS 11 HE2 LYS 11 3.509 0.253 -5.809
74 HE3 LYS 11 1HE LYS 11 2.039 -0.274 -5.020
75 HZ1 LYS 11 HZ LYS 11 4.684 0.428 -3.619
76 HN1 NH2 12 H NH2 12 2.161 -7.129 -3.394
77 HN2 NH2 12 2HN NH2 12 2.176 -5.490 -2.557
Start of MODEL 7
1 H1 ACE 3 2H1 ACE 3 3.227 -6.034 0.321
2 H2 ACE 3 3H1 ACE 3 4.623 -4.931 0.232
3 H3 ACE 3 1H1 ACE 3 3.926 -5.384 1.821
4 H NLE 4 H NLE 4 4.045 -2.912 1.762
5 HA NLE 4 HA NLE 4 1.378 -1.725 0.797
6 HB2 NLE 4 2HB NLE 4 1.608 -0.298 2.936
7 HB3 NLE 4 1HB NLE 4 2.889 -1.355 3.440
8 HG2 NLE 4 2HG NLE 4 1.218 -3.321 3.339
9 HG3 NLE 4 1HG NLE 4 -0.038 -2.185 2.841
10 HD2 NLE 4 2HD NLE 4 0.284 -0.900 5.025
11 HD3 NLE 4 1HD NLE 4 1.514 -2.063 5.517
12 HE1 NLE 4 3HE NLE 4 -0.214 -3.939 5.430
13 HE2 NLE 4 1HE NLE 4 -0.709 -2.639 6.539
14 HE3 NLE 4 2HE NLE 4 -1.456 -2.762 4.929
15 H ASP 5 H ASP 5 1.607 -0.130 -0.521
16 HA ASP 5 HA ASP 5 4.111 1.635 -0.612
17 HB2 ASP 5 HB2 ASP 5 1.775 1.255 -2.602
18 HB3 ASP 5 1HB ASP 5 2.972 2.511 -2.761
19 HA PRO 6 HA PRO 6 1.602 4.808 1.552
20 HB2 PRO 6 HB2 PRO 6 3.121 7.083 1.176
21 HB3 PRO 6 1HB PRO 6 3.593 5.732 2.218
22 HG2 PRO 6 HG2 PRO 6 4.462 6.233 -0.679
23 HG3 PRO 6 1HG PRO 6 5.508 5.887 0.718
24 HD2 PRO 6 HD2 PRO 6 4.717 3.911 -1.049
25 HD3 PRO 6 1HD PRO 6 4.918 3.542 0.693
26 HA PRO 7 HA PRO 7 0.116 6.327 2.126
27 HB2 PRO 7 HB2 PRO 7 -2.214 7.672 2.060
28 HB3 PRO 7 1HB PRO 7 -0.690 8.455 1.621
29 HG2 PRO 7 HG2 PRO 7 -2.801 7.302 -0.290
30 HG3 PRO 7 1HG PRO 7 -2.056 8.916 -0.343
31 HD2 PRO 7 HD2 PRO 7 -1.109 6.736 -1.852
32 HD3 PRO 7 1HD PRO 7 -0.052 8.064 -1.311
33 H DPN 8 H PHE 8 0.033 3.846 1.357
34 HA DPN 8 HA PHE 8 -2.431 2.769 2.744
35 HB2 DPN 8 HB2 PHE 8 0.190 1.376 1.891
36 HB3 DPN 8 1HB PHE 8 -1.096 0.618 2.750
37 HD1 DPN 8 HD1 PHE 8 1.920 2.561 3.094
38 HD2 DPN 8 HD2 PHE 8 -1.717 1.523 5.147
39 HE1 DPN 8 HE1 PHE 8 2.947 3.181 5.243
40 HE2 DPN 8 HE2 PHE 8 -0.673 2.147 7.291
41 HZ DPN 8 HZ PHE 8 1.657 2.975 7.343
42 H ARG 9 H ARG 9 -0.610 1.932 -0.226
43 HA ARG 9 HA ARG 9 -3.119 0.586 -1.389
44 HB2 ARG 9 HB2 ARG 9 -0.633 1.710 -2.829
45 HB3 ARG 9 1HB ARG 9 -1.734 0.577 -3.554
46 HG2 ARG 9 HG2 ARG 9 -2.469 2.543 -4.450
47 HG3 ARG 9 1HG ARG 9 -3.678 2.230 -3.234
48 HD2 ARG 9 HD2 ARG 9 -1.273 4.105 -2.677
49 HD3 ARG 9 1HD ARG 9 -2.602 4.695 -3.630
50 HE ARG 9 HE ARG 9 -2.624 4.190 -0.667
51 HH11 ARG 9 HH22 ARG 9 -4.738 4.521 -3.394
52 HH12 ARG 9 HH21 ARG 9 -6.144 5.029 -2.332
53 HH21 ARG 9 HH12 ARG 9 -4.157 4.874 0.487
54 HH22 ARG 9 HH11 ARG 9 -5.821 5.173 -0.217
55 H TRP 10 H TRP 10 -2.936 -1.572 -1.756
56 HA TRP 10 HA TRP 10 -0.636 -3.026 -0.419
57 HB2 TRP 10 1HB TRP 10 -2.918 -3.465 0.383
58 HB3 TRP 10 HB2 TRP 10 -3.463 -3.895 -1.229
59 HD1 TRP 10 HD TRP 10 -3.286 -6.342 -1.929
60 HE1 TRP 10 1HE TRP 10 -2.346 -8.645 -0.920
61 HE3 TRP 10 3HE TRP 10 -0.795 -4.258 1.947
62 HZ2 TRP 10 2HZ TRP 10 -0.614 -9.213 1.276
63 HZ3 TRP 10 3HZ TRP 10 0.532 -5.702 3.474
64 HH2 TRP 10 HH TRP 10 0.622 -8.141 3.139
65 H LYS 11 H LYS 11 0.672 -4.311 -1.435
66 HA LYS 11 HA LYS 11 0.869 -4.347 -4.437
67 HB2 LYS 11 HB2 LYS 11 2.657 -5.614 -2.271
68 HB3 LYS 11 1HB LYS 11 3.024 -5.644 -3.978
69 HG2 LYS 11 HG2 LYS 11 2.787 -3.073 -2.299
70 HG3 LYS 11 1HG LYS 11 4.285 -3.909 -2.654
71 HD2 LYS 11 HD2 LYS 11 3.990 -3.533 -5.113
72 HD3 LYS 11 1HD LYS 11 2.449 -2.737 -4.860
73 HE2 LYS 11 HE2 LYS 11 5.140 -1.711 -3.717
74 HE3 LYS 11 1HE LYS 11 4.430 -1.168 -5.239
75 HZ1 LYS 11 HZ LYS 11 2.378 -0.789 -3.213
76 HN1 NH2 12 H NH2 12 -0.220 -8.144 -3.376
77 HN2 NH2 12 2HN NH2 12 0.309 -7.021 -2.029
Start of MODEL 8
1 H1 ACE 3 2H1 ACE 3 4.744 -4.813 0.103
2 H2 ACE 3 3H1 ACE 3 4.091 -5.276 1.709
3 H3 ACE 3 1H1 ACE 3 3.353 -5.920 0.225
4 H NLE 4 H NLE 4 4.187 -2.811 1.691
5 HA NLE 4 HA NLE 4 1.445 -1.672 0.906
6 HB2 NLE 4 2HB NLE 4 1.705 -0.225 2.916
7 HB3 NLE 4 1HB NLE 4 3.251 -0.948 3.282
8 HG2 NLE 4 2HG NLE 4 2.111 -3.175 3.704
9 HG3 NLE 4 1HG NLE 4 0.560 -2.471 3.254
10 HD2 NLE 4 2HD NLE 4 0.711 -0.841 5.176
11 HD3 NLE 4 1HD NLE 4 2.290 -1.494 5.624
12 HE1 NLE 4 3HE NLE 4 1.237 -3.768 6.072
13 HE2 NLE 4 1HE NLE 4 0.463 -2.493 7.043
14 HE3 NLE 4 2HE NLE 4 -0.355 -3.122 5.596
15 H ASP 5 H ASP 5 1.559 -0.151 -0.583
16 HA ASP 5 HA ASP 5 4.000 1.656 -0.907
17 HB2 ASP 5 HB2 ASP 5 1.533 1.208 -2.688
18 HB3 ASP 5 1HB ASP 5 2.681 2.496 -2.941
19 HA PRO 6 HA PRO 6 1.526 4.561 1.625
20 HB2 PRO 6 HB2 PRO 6 3.200 6.770 1.686
21 HB3 PRO 6 1HB PRO 6 3.551 5.239 2.506
22 HG2 PRO 6 HG2 PRO 6 4.568 6.150 -0.241
23 HG3 PRO 6 1HG PRO 6 5.535 5.516 1.115
24 HD2 PRO 6 HD2 PRO 6 4.691 3.908 -0.984
25 HD3 PRO 6 1HD PRO 6 4.819 3.245 0.677
26 HA PRO 7 HA PRO 7 0.393 6.565 2.444
27 HB2 PRO 7 HB2 PRO 7 -2.153 7.584 2.454
28 HB3 PRO 7 1HB PRO 7 -0.734 8.545 2.023
29 HG2 PRO 7 HG2 PRO 7 -2.660 7.129 0.089
30 HG3 PRO 7 1HG PRO 7 -2.179 8.845 0.073
31 HD2 PRO 7 HD2 PRO 7 -0.896 6.968 -1.517
32 HD3 PRO 7 1HD PRO 7 0.015 8.322 -0.793
33 H DPN 8 H PHE 8 -0.790 4.214 0.417
34 HA DPN 8 HA PHE 8 -2.757 2.968 2.365
35 HB2 DPN 8 HB2 PHE 8 -0.301 2.509 3.139
36 HB3 DPN 8 1HB PHE 8 -0.082 1.529 1.740
37 HD1 DPN 8 HD1 PHE 8 -1.800 1.794 5.011
38 HD2 DPN 8 HD2 PHE 8 -1.300 -0.690 1.535
39 HE1 DPN 8 HE1 PHE 8 -2.825 -0.097 6.204
40 HE2 DPN 8 HE2 PHE 8 -2.355 -2.563 2.734
41 HZ DPN 8 HZ PHE 8 -3.115 -2.277 5.067
42 H ARG 9 H ARG 9 -0.714 1.874 -0.358
43 HA ARG 9 HA ARG 9 -3.176 0.439 -1.522
44 HB2 ARG 9 HB2 ARG 9 -0.736 1.422 -3.098
45 HB3 ARG 9 1HB ARG 9 -2.095 0.537 -3.742
46 HG2 ARG 9 HG2 ARG 9 -2.115 3.427 -2.677
47 HG3 ARG 9 1HG ARG 9 -2.216 2.923 -4.359
48 HD2 ARG 9 HD2 ARG 9 -4.477 1.811 -3.871
49 HD3 ARG 9 1HD ARG 9 -4.343 2.365 -2.185
50 HE ARG 9 HE ARG 9 -4.020 4.613 -4.128
51 HH11 ARG 9 HH22 ARG 9 -6.420 2.740 -2.447
52 HH12 ARG 9 HH21 ARG 9 -7.676 4.060 -2.606
53 HH21 ARG 9 HH12 ARG 9 -5.467 6.091 -4.296
54 HH22 ARG 9 HH11 ARG 9 -7.137 5.861 -3.611
55 H TRP 10 H TRP 10 -2.961 -1.714 -1.743
56 HA TRP 10 HA TRP 10 -0.558 -3.012 -0.431
57 HB2 TRP 10 1HB TRP 10 -2.802 -3.428 0.504
58 HB3 TRP 10 HB2 TRP 10 -3.392 -4.014 -1.042
59 HD1 TRP 10 HD TRP 10 -3.153 -6.505 -1.537
60 HE1 TRP 10 1HE TRP 10 -2.088 -8.681 -0.380
61 HE3 TRP 10 3HE TRP 10 -0.577 -4.012 2.024
62 HZ2 TRP 10 2HZ TRP 10 -0.259 -8.999 1.789
63 HZ3 TRP 10 3HZ TRP 10 0.844 -5.274 3.628
64 HH2 TRP 10 HH TRP 10 1.005 -7.728 3.503
65 H LYS 11 H LYS 11 0.748 -4.288 -1.431
66 HA LYS 11 HA LYS 11 0.780 -4.548 -4.414
67 HB2 LYS 11 HB2 LYS 11 2.719 -5.649 -2.292
68 HB3 LYS 11 1HB LYS 11 3.001 -5.717 -4.014
69 HG2 LYS 11 HG2 LYS 11 2.761 -3.118 -2.379
70 HG3 LYS 11 1HG LYS 11 4.262 -3.893 -2.844
71 HD2 LYS 11 HD2 LYS 11 3.748 -3.565 -5.275
72 HD3 LYS 11 1HD LYS 11 2.198 -2.833 -4.902
73 HE2 LYS 11 HE2 LYS 11 4.923 -1.672 -3.995
74 HE3 LYS 11 1HE LYS 11 4.069 -1.186 -5.462
75 HZ1 LYS 11 HZ LYS 11 2.187 -0.864 -3.253
76 HN1 NH2 12 H NH2 12 0.317 -7.111 -1.866
77 HN2 NH2 12 2HN NH2 12 -0.125 -8.337 -3.164
Start of MODEL 9
1 H1 ACE 3 2H1 ACE 3 2.837 -5.837 0.739
2 H2 ACE 3 3H1 ACE 3 3.378 -5.528 -0.928
3 H3 ACE 3 1H1 ACE 3 4.432 -5.073 0.432
4 H NLE 4 H NLE 4 3.273 -3.588 2.038
5 HA NLE 4 HA NLE 4 1.183 -1.786 0.982
6 HB2 NLE 4 2HB NLE 4 1.029 -2.346 3.232
7 HB3 NLE 4 1HB NLE 4 1.291 -0.633 3.098
8 HG2 NLE 4 2HG NLE 4 3.692 -0.890 3.867
9 HG3 NLE 4 1HG NLE 4 3.466 -2.627 3.971
10 HD2 NLE 4 2HD NLE 4 3.212 -1.835 6.197
11 HD3 NLE 4 1HD NLE 4 1.586 -2.260 5.676
12 HE1 NLE 4 3HE NLE 4 2.741 0.627 5.746
13 HE2 NLE 4 1HE NLE 4 1.075 0.206 5.272
14 HE3 NLE 4 2HE NLE 4 1.618 -0.072 6.938
15 H ASP 5 H ASP 5 1.549 -0.302 -0.421
16 HA ASP 5 HA ASP 5 4.068 1.399 -0.332
17 HB2 ASP 5 HB2 ASP 5 3.786 1.878 -2.614
18 HB3 ASP 5 1HB ASP 5 3.784 0.156 -2.357
19 HA PRO 6 HA PRO 6 1.586 4.667 1.438
20 HB2 PRO 6 HB2 PRO 6 3.239 6.886 1.203
21 HB3 PRO 6 1HB PRO 6 3.574 5.502 2.256
22 HG2 PRO 6 HG2 PRO 6 4.646 5.977 -0.583
23 HG3 PRO 6 1HG PRO 6 5.590 5.592 0.878
24 HD2 PRO 6 HD2 PRO 6 4.853 3.632 -0.909
25 HD3 PRO 6 1HD PRO 6 4.870 3.284 0.851
26 HA PRO 7 HA PRO 7 0.486 6.826 1.965
27 HB2 PRO 7 HB2 PRO 7 -2.086 7.783 1.836
28 HB3 PRO 7 1HB PRO 7 -0.686 8.693 1.259
29 HG2 PRO 7 HG2 PRO 7 -2.588 6.964 -0.428
30 HG3 PRO 7 1HG PRO 7 -2.134 8.663 -0.711
31 HD2 PRO 7 HD2 PRO 7 -0.828 6.588 -1.999
32 HD3 PRO 7 1HD PRO 7 0.068 8.047 -1.494
33 H DPN 8 H PHE 8 -0.803 4.215 0.292
34 HA DPN 8 HA PHE 8 -2.647 3.251 2.507
35 HB2 DPN 8 HB2 PHE 8 -0.197 2.796 3.195
36 HB3 DPN 8 1HB PHE 8 -0.029 1.725 1.859
37 HD1 DPN 8 HD1 PHE 8 -1.225 -0.502 1.839
38 HD2 DPN 8 HD2 PHE 8 -1.581 2.169 5.189
39 HE1 DPN 8 HE1 PHE 8 -2.076 -2.348 3.226
40 HE2 DPN 8 HE2 PHE 8 -2.421 0.310 6.569
41 HZ DPN 8 HZ PHE 8 -2.668 -1.949 5.593
42 H ARG 9 H ARG 9 -0.830 1.769 -0.168
43 HA ARG 9 HA ARG 9 -3.383 0.250 -0.914
44 HB2 ARG 9 HB2 ARG 9 -2.928 2.041 -2.600
45 HB3 ARG 9 1HB ARG 9 -1.366 1.312 -2.968
46 HG2 ARG 9 HG2 ARG 9 -2.522 -0.770 -3.787
47 HG3 ARG 9 1HG ARG 9 -4.092 -0.142 -3.329
48 HD2 ARG 9 HD2 ARG 9 -2.225 1.192 -5.415
49 HD3 ARG 9 1HD ARG 9 -3.488 0.015 -5.818
50 HE ARG 9 HE ARG 9 -4.769 2.105 -4.253
51 HH11 ARG 9 HH22 ARG 9 -3.273 1.799 -7.376
52 HH12 ARG 9 HH21 ARG 9 -4.263 3.171 -8.073
53 HH21 ARG 9 HH12 ARG 9 -5.885 3.651 -5.075
54 HH22 ARG 9 HH11 ARG 9 -5.670 4.156 -6.810
55 H TRP 10 H TRP 10 -3.093 -1.844 -1.344
56 HA TRP 10 HA TRP 10 -0.477 -3.099 -0.386
57 HB2 TRP 10 1HB TRP 10 -2.513 -3.590 0.931
58 HB3 TRP 10 HB2 TRP 10 -3.300 -4.273 -0.486
59 HD1 TRP 10 HD TRP 10 -2.645 -6.698 -1.203
60 HE1 TRP 10 1HE TRP 10 -1.200 -8.724 -0.173
61 HE3 TRP 10 3HE TRP 10 -0.333 -3.948 2.333
62 HZ2 TRP 10 2HZ TRP 10 0.725 -8.823 1.937
63 HZ3 TRP 10 3HZ TRP 10 1.320 -5.020 3.855
64 HH2 TRP 10 HH TRP 10 1.841 -7.421 3.652
65 H LYS 11 H LYS 11 0.727 -3.884 -1.811
66 HA LYS 11 HA LYS 11 -0.225 -5.123 -4.476
67 HB2 LYS 11 HB2 LYS 11 1.916 -2.976 -3.886
68 HB3 LYS 11 1HB LYS 11 1.983 -3.946 -5.340
69 HG2 LYS 11 HG2 LYS 11 -0.196 -3.198 -6.112
70 HG3 LYS 11 1HG LYS 11 -0.539 -2.338 -4.627
71 HD2 LYS 11 HD2 LYS 11 1.959 -1.514 -6.243
72 HD3 LYS 11 1HD LYS 11 0.375 -1.114 -6.850
73 HE2 LYS 11 HE2 LYS 11 0.957 0.819 -5.675
74 HE3 LYS 11 1HE LYS 11 -0.198 0.024 -4.613
75 HZ1 LYS 11 HZ LYS 11 2.525 -0.762 -3.806
76 HN1 NH2 12 H NH2 12 0.045 -7.214 -3.288
77 HN2 NH2 12 2HN NH2 12 1.768 -7.847 -3.163
Start of MODEL 10
1 H1 ACE 3 2H1 ACE 3 4.864 -4.850 -0.673
2 H2 ACE 3 3H1 ACE 3 3.493 -5.898 -0.180
3 H3 ACE 3 1H1 ACE 3 3.597 -5.283 -1.847
4 H NLE 4 H NLE 4 3.947 -3.800 1.334
5 HA NLE 4 HA NLE 4 1.456 -2.125 0.929
6 HB2 NLE 4 2HB NLE 4 3.247 -2.257 3.400
7 HB3 NLE 4 1HB NLE 4 1.912 -3.363 3.087
8 HG2 NLE 4 2HG NLE 4 0.283 -1.469 3.044
9 HG3 NLE 4 1HG NLE 4 1.560 -0.311 3.377
10 HD2 NLE 4 2HD NLE 4 0.787 -2.644 5.263
11 HD3 NLE 4 1HD NLE 4 0.162 -1.008 5.390
12 HE1 NLE 4 3HE NLE 4 3.146 -1.762 5.718
13 HE2 NLE 4 1HE NLE 4 2.504 -0.101 5.783
14 HE3 NLE 4 2HE NLE 4 2.019 -1.293 7.010
15 H ASP 5 H ASP 5 1.605 -0.240 0.117
16 HA ASP 5 HA ASP 5 4.084 1.519 0.374
17 HB2 ASP 5 HB2 ASP 5 3.774 2.156 -1.940
18 HB3 ASP 5 1HB ASP 5 4.085 0.458 -1.725
19 HA PRO 6 HA PRO 6 1.374 5.105 1.521
20 HB2 PRO 6 HB2 PRO 6 3.707 6.614 0.252
21 HB3 PRO 6 1HB PRO 6 2.829 6.975 1.751
22 HG2 PRO 6 HG2 PRO 6 5.251 5.763 1.901
23 HG3 PRO 6 1HG PRO 6 3.934 5.143 2.926
24 HD2 PRO 6 HD2 PRO 6 4.921 3.997 0.244
25 HD3 PRO 6 1HD PRO 6 4.561 3.145 1.783
26 HA PRO 7 HA PRO 7 -0.060 6.840 1.293
27 HB2 PRO 7 HB2 PRO 7 -2.277 8.073 0.373
28 HB3 PRO 7 1HB PRO 7 -0.659 8.686 0.007
29 HG2 PRO 7 HG2 PRO 7 -2.440 6.965 -1.807
30 HG3 PRO 7 1HG PRO 7 -1.616 8.487 -2.224
31 HD2 PRO 7 HD2 PRO 7 -0.534 5.939 -2.758
32 HD3 PRO 7 1HD PRO 7 0.481 7.379 -2.483
33 H DPN 8 H PHE 8 -0.149 4.195 1.162
34 HA DPN 8 HA PHE 8 -2.746 3.666 2.631
35 HB2 DPN 8 HB2 PHE 8 -0.366 3.223 3.604
36 HB3 DPN 8 1HB PHE 8 -0.195 1.920 2.490
37 HD1 DPN 8 HD1 PHE 8 -1.712 2.992 5.637
38 HD2 DPN 8 HD2 PHE 8 -1.804 -0.107 2.653
39 HE1 DPN 8 HE1 PHE 8 -2.830 1.489 7.222
40 HE2 DPN 8 HE2 PHE 8 -2.931 -1.597 4.242
41 HZ DPN 8 HZ PHE 8 -3.449 -0.812 6.536
42 H ARG 9 H ARG 9 -0.722 1.797 0.344
43 HA ARG 9 HA ARG 9 -3.221 0.310 -0.578
44 HB2 ARG 9 HB2 ARG 9 -1.849 2.300 -2.150
45 HB3 ARG 9 1HB ARG 9 -1.236 0.817 -2.786
46 HG2 ARG 9 HG2 ARG 9 -3.164 1.684 -4.044
47 HG3 ARG 9 1HG ARG 9 -3.479 0.071 -3.449
48 HD2 ARG 9 HD2 ARG 9 -5.504 1.609 -3.319
49 HD3 ARG 9 1HD ARG 9 -5.093 0.843 -1.819
50 HE ARG 9 HE ARG 9 -4.322 2.897 -0.813
51 HH11 ARG 9 HH22 ARG 9 -5.418 3.479 -4.066
52 HH12 ARG 9 HH21 ARG 9 -5.478 5.290 -3.808
53 HH21 ARG 9 HH12 ARG 9 -4.274 4.973 -0.590
54 HH22 ARG 9 HH11 ARG 9 -4.908 6.063 -1.902
55 H TRP 10 H TRP 10 -2.903 -1.704 -1.395
56 HA TRP 10 HA TRP 10 -0.322 -3.126 -0.536
57 HB2 TRP 10 1HB TRP 10 -2.157 -3.695 0.957
58 HB3 TRP 10 HB2 TRP 10 -3.207 -4.118 -0.389
59 HD1 TRP 10 HD TRP 10 -2.988 -6.466 -1.463
60 HE1 TRP 10 1HE TRP 10 -1.615 -8.729 -1.010
61 HE3 TRP 10 3HE TRP 10 0.219 -4.477 1.895
62 HZ2 TRP 10 2HZ TRP 10 0.695 -9.282 0.572
63 HZ3 TRP 10 3HZ TRP 10 2.047 -5.884 2.831
64 HH2 TRP 10 HH TRP 10 2.279 -8.246 2.175
65 H LYS 11 H LYS 11 0.722 -3.856 -2.145
66 HA LYS 11 HA LYS 11 -0.628 -5.306 -4.480
67 HB2 LYS 11 HB2 LYS 11 0.736 -4.189 -6.084
68 HB3 LYS 11 1HB LYS 11 -0.166 -3.027 -5.147
69 HG2 LYS 11 HG2 LYS 11 2.312 -3.018 -3.792
70 HG3 LYS 11 1HG LYS 11 2.809 -3.458 -5.409
71 HD2 LYS 11 HD2 LYS 11 2.944 -1.085 -5.476
72 HD3 LYS 11 1HD LYS 11 1.417 -1.397 -6.259
73 HE2 LYS 11 HE2 LYS 11 0.904 0.395 -4.802
74 HE3 LYS 11 1HE LYS 11 0.270 -0.984 -3.900
75 HZ1 LYS 11 HZ LYS 11 2.816 -0.874 -2.803
76 HN1 NH2 12 H NH2 12 0.033 -7.082 -2.775
77 HN2 NH2 12 2HN NH2 12 1.679 -7.801 -3.169
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