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 |
|
|
12127 |
1skl   |
6168 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H ARG 1 H ARG 1 1.978 -0.953 -3.496
2 HA ARG 1 HA ARG 1 2.347 1.539 -4.852
3 1HB ARG 1 HB2 ARG 1 0.763 -0.951 -5.593
4 2HB ARG 1 HB3 ARG 1 1.147 0.387 -6.681
5 1HG ARG 1 HG2 ARG 1 3.579 -0.037 -6.354
6 2HG ARG 1 HG3 ARG 1 3.182 -1.441 -5.337
7 1HD ARG 1 HD2 ARG 1 1.945 -2.455 -7.243
8 2HD ARG 1 HD3 ARG 1 2.374 -1.059 -8.252
9 HE ARG 1 HE ARG 1 4.725 -2.233 -7.105
10 1HH1 ARG 1 HH11 ARG 1 2.342 -2.805 -9.695
11 2HH1 ARG 1 HH12 ARG 1 6.138 -3.461 -8.388
12 1HH2 ARG 1 HH21 ARG 1 3.461 -3.746 -10.655
13 2HH2 ARG 1 HH22 ARG 1 5.597 -4.113 -9.918
14 H ARG 2 H ARG 2 -0.368 0.365 -2.925
15 HA ARG 2 HA ARG 2 -2.448 1.586 -4.465
16 1HB ARG 2 HB2 ARG 2 -2.564 0.554 -1.619
17 2HB ARG 2 HB3 ARG 2 -3.920 0.840 -2.739
18 1HG ARG 2 HG2 ARG 2 -3.120 -0.937 -4.222
19 2HG ARG 2 HG3 ARG 2 -1.740 -1.245 -3.147
20 1HD ARG 2 HD2 ARG 2 -3.280 -1.816 -1.298
21 2HD ARG 2 HD3 ARG 2 -4.667 -1.481 -2.343
22 HE ARG 2 HE ARG 2 -4.394 -3.494 -3.412
23 1HH1 ARG 2 HH21 ARG 2 -2.039 -6.033 -3.008
24 2HH1 ARG 2 HH22 ARG 2 -0.859 -4.551 -1.720
25 1HH2 ARG 2 HH11 ARG 2 -3.561 -5.565 -3.731
26 2HH2 ARG 2 HH12 ARG 2 -1.467 -2.934 -1.445
27 H1 NAL 3 HD2 NAL 3 -2.979 2.389 0.992
28 H3 NAL 3 HD1 NAL 3 -5.828 3.931 -1.844
29 H4 NAL 3 HE1 NAL 3 -7.147 1.852 -1.645
30 H5 NAL 3 HH1 NAL 3 -7.448 -0.403 -0.697
31 H6 NAL 3 HT1 NAL 3 -6.662 -2.224 0.793
32 H7 NAL 3 HH2 NAL 3 -4.560 -1.950 2.092
33 H8 NAL 3 HZ2 NAL 3 -3.257 0.155 1.927
34 1H9 NAL 3 HB2 NAL 3 -3.619 5.208 0.284
35 2H9 NAL 3 HB3 NAL 3 -3.871 5.143 -1.439
36 H10 NAL 3 HA NAL 3 -1.605 5.257 -1.450
37 1HN NAL 3 HN NAL 3 -1.245 2.427 -1.142
38 H1 NAL 4 HD2 NAL 4 -1.198 0.395 3.783
39 H3 NAL 4 HD1 NAL 4 -0.108 4.092 5.688
40 H4 NAL 4 HE1 NAL 4 0.435 2.858 7.768
41 H5 NAL 4 HH1 NAL 4 0.526 0.755 9.039
42 H6 NAL 4 HT1 NAL 4 0.087 -1.689 9.160
43 H7 NAL 4 HH2 NAL 4 -0.849 -2.899 7.205
44 H8 NAL 4 HZ2 NAL 4 -1.340 -1.687 5.084
45 1H9 NAL 4 HB2 NAL 4 -1.480 4.043 3.568
46 2H9 NAL 4 HB3 NAL 4 -1.941 2.492 2.891
47 H10 NAL 4 HA NAL 4 0.623 4.041 2.526
48 1HN NAL 4 HN NAL 4 -0.665 2.505 0.384
49 H ARG 5 H ARG 5 2.438 2.951 2.887
50 HA ARG 5 HA ARG 5 4.055 1.717 2.171
51 1HB ARG 5 HB2 ARG 5 4.622 -0.014 3.755
52 2HB ARG 5 HB3 ARG 5 3.896 1.398 4.487
53 1HG ARG 5 HG2 ARG 5 3.257 -0.600 5.572
54 2HG ARG 5 HG3 ARG 5 1.859 0.254 4.915
55 1HD ARG 5 HD2 ARG 5 1.593 -1.368 3.153
56 2HD ARG 5 HD3 ARG 5 3.192 -2.058 3.457
57 HE ARG 5 HE ARG 5 0.831 -2.302 5.270
58 1HH1 ARG 5 HH22 ARG 5 3.725 -5.133 5.013
59 2HH1 ARG 5 HH21 ARG 5 1.897 -5.419 6.382
60 1HH2 ARG 5 HH11 ARG 5 0.665 -4.180 6.477
61 2HH2 ARG 5 HH12 ARG 5 3.890 -3.677 4.058
62 H PHE 6 HN PHE 6 1.730 1.040 0.411
63 HA PHE 6 HA PHE 6 3.168 -1.029 -1.181
64 1HB PHE 6 HB2 PHE 6 0.154 -0.718 -1.176
65 2HB PHE 6 HB3 PHE 6 1.117 -2.022 -1.859
66 HD1 PHE 6 HD1 PHE 6 2.582 -3.369 -0.005
67 HD2 PHE 6 HD2 PHE 6 -1.130 -1.275 0.669
68 HE1 PHE 6 HE1 PHE 6 2.066 -4.874 1.899
69 HE2 PHE 6 HE2 PHE 6 -1.632 -2.772 2.572
70 HZ PHE 6 HZ PHE 6 -0.042 -4.586 3.184
Start of MODEL 2
1 H ARG 1 H ARG 1 1.967 -1.107 -3.577
2 HA ARG 1 HA ARG 1 2.340 1.694 -4.419
3 1HB ARG 1 HB2 ARG 1 1.840 -0.847 -6.024
4 2HB ARG 1 HB3 ARG 1 2.203 0.740 -6.702
5 1HG ARG 1 HG2 ARG 1 4.068 -0.934 -4.962
6 2HG ARG 1 HG3 ARG 1 4.174 -0.735 -6.705
7 1HD ARG 1 HD2 ARG 1 4.508 1.519 -4.673
8 2HD ARG 1 HD3 ARG 1 5.816 0.637 -5.451
9 HE ARG 1 HE ARG 1 5.122 1.494 -7.612
10 1HH1 ARG 1 HH11 ARG 1 3.800 3.287 -4.817
11 2HH1 ARG 1 HH12 ARG 1 4.778 3.389 -8.761
12 1HH2 ARG 1 HH22 ARG 1 4.097 4.796 -7.977
13 2HH2 ARG 1 HH21 ARG 1 3.545 4.738 -5.759
14 H ARG 2 H ARG 2 0.222 1.612 -2.734
15 HA ARG 2 HA ARG 2 -2.218 1.725 -4.431
16 1HB ARG 2 HB2 ARG 2 -2.099 0.533 -1.655
17 2HB ARG 2 HB3 ARG 2 -3.476 0.606 -2.777
18 1HG ARG 2 HG2 ARG 2 -2.550 -1.003 -4.241
19 2HG ARG 2 HG3 ARG 2 -1.031 -1.072 -3.322
20 1HD ARG 2 HD2 ARG 2 -2.242 -1.818 -1.307
21 2HD ARG 2 HD3 ARG 2 -3.783 -1.703 -2.153
22 HE ARG 2 HE ARG 2 -1.667 -3.716 -2.491
23 1HH1 ARG 2 HH11 ARG 2 -4.799 -2.515 -3.692
24 2HH1 ARG 2 HH12 ARG 2 -2.217 -5.651 -3.548
25 1HH2 ARG 2 HH21 ARG 2 -5.177 -4.012 -4.514
26 2HH2 ARG 2 HH22 ARG 2 -3.720 -5.778 -4.432
27 H1 NAL 3 HD2 NAL 3 -3.159 2.081 1.040
28 H3 NAL 3 HD1 NAL 3 -5.761 3.451 -2.107
29 H4 NAL 3 HE1 NAL 3 -6.816 1.223 -2.213
30 H5 NAL 3 HH1 NAL 3 -6.949 -1.109 -1.443
31 H6 NAL 3 HT1 NAL 3 -6.132 -2.930 0.029
32 H7 NAL 3 HH2 NAL 3 -4.298 -2.497 1.649
33 H8 NAL 3 HZ2 NAL 3 -3.281 -0.239 1.806
34 1H9 NAL 3 HB2 NAL 3 -4.017 4.822 0.386
35 2H9 NAL 3 HB3 NAL 3 -4.089 4.868 -1.349
36 H10 NAL 3 HA NAL 3 -1.862 5.221 -1.139
37 1HN NAL 3 HN NAL 3 -1.195 2.437 -1.006
38 H1 NAL 4 HD2 NAL 4 -0.749 -0.285 4.089
39 H3 NAL 4 HD1 NAL 4 -0.239 3.785 5.418
40 H4 NAL 4 HE1 NAL 4 0.564 2.976 7.610
41 H5 NAL 4 HH1 NAL 4 1.071 1.122 9.137
42 H6 NAL 4 HT1 NAL 4 1.121 -1.311 9.613
43 H7 NAL 4 HH2 NAL 4 0.384 -2.935 7.887
44 H8 NAL 4 HZ2 NAL 4 -0.374 -2.136 5.660
45 1H9 NAL 4 HB2 NAL 4 -2.030 2.739 3.386
46 2H9 NAL 4 HB3 NAL 4 -1.169 1.425 2.602
47 H10 NAL 4 HA NAL 4 -0.222 4.268 3.052
48 1HN NAL 4 HN NAL 4 -0.330 2.713 0.499
49 H ARG 5 H ARG 5 0.984 1.109 1.740
50 HA ARG 5 HA ARG 5 3.703 2.131 1.938
51 1HB ARG 5 HB2 ARG 5 4.439 1.042 3.686
52 2HB ARG 5 HB3 ARG 5 2.783 0.709 4.137
53 1HG ARG 5 HG2 ARG 5 4.574 -1.146 2.502
54 2HG ARG 5 HG3 ARG 5 4.322 -1.254 4.228
55 1HD ARG 5 HD2 ARG 5 1.790 -1.240 2.675
56 2HD ARG 5 HD3 ARG 5 2.857 -2.592 2.295
57 HE ARG 5 HE ARG 5 1.492 -2.028 4.844
58 1HH1 ARG 5 HH11 ARG 5 3.900 -4.068 3.181
59 2HH1 ARG 5 HH12 ARG 5 1.447 -3.676 6.396
60 1HH2 ARG 5 HH22 ARG 5 2.452 -5.095 6.214
61 2HH2 ARG 5 HH21 ARG 5 3.835 -5.315 4.405
62 H PHE 6 HN PHE 6 1.329 -0.063 0.716
63 HA PHE 6 HA PHE 6 2.986 -1.445 -1.214
64 1HB PHE 6 HB2 PHE 6 0.000 -0.885 -1.188
65 2HB PHE 6 HB3 PHE 6 0.826 -2.162 -2.080
66 HD1 PHE 6 HD1 PHE 6 -0.891 -1.305 0.965
67 HD2 PHE 6 HD2 PHE 6 2.018 -4.018 -0.707
68 HE1 PHE 6 HE1 PHE 6 -1.288 -2.886 2.833
69 HE2 PHE 6 HE2 PHE 6 1.615 -5.594 1.167
70 HZ PHE 6 HZ PHE 6 -0.037 -5.032 2.936
Start of MODEL 3
1 H ARG 1 H ARG 1 1.835 -0.879 -3.443
2 HA ARG 1 HA ARG 1 2.512 1.773 -4.391
3 1HB ARG 1 HB2 ARG 1 2.828 -0.185 -5.750
4 2HB ARG 1 HB3 ARG 1 1.134 -0.642 -5.642
5 1HG ARG 1 HG2 ARG 1 1.822 2.039 -6.866
6 2HG ARG 1 HG3 ARG 1 2.175 0.574 -7.781
7 1HD ARG 1 HD2 ARG 1 -0.134 -0.163 -7.683
8 2HD ARG 1 HD3 ARG 1 -0.593 1.198 -6.668
9 HE ARG 1 HE ARG 1 0.130 1.252 -9.547
10 1HH1 ARG 1 HH11 ARG 1 -1.039 3.114 -6.730
11 2HH1 ARG 1 HH12 ARG 1 -0.639 2.978 -10.774
12 1HH2 ARG 1 HH22 ARG 1 -1.393 4.352 -9.999
13 2HH2 ARG 1 HH21 ARG 1 -1.625 4.425 -7.727
14 H ARG 2 H ARG 2 -0.382 0.310 -3.092
15 HA ARG 2 HA ARG 2 -2.377 1.600 -4.544
16 1HB ARG 2 HB2 ARG 2 -2.573 0.546 -1.714
17 2HB ARG 2 HB3 ARG 2 -3.879 0.743 -2.911
18 1HG ARG 2 HG2 ARG 2 -3.090 -1.033 -4.258
19 2HG ARG 2 HG3 ARG 2 -1.566 -1.179 -3.367
20 1HD ARG 2 HD2 ARG 2 -2.681 -1.945 -1.371
21 2HD ARG 2 HD3 ARG 2 -4.267 -1.622 -2.060
22 HE ARG 2 HE ARG 2 -4.061 -3.463 -3.525
23 1HH1 ARG 2 HH22 ARG 2 -0.759 -4.921 -1.675
24 2HH1 ARG 2 HH21 ARG 2 -1.951 -6.207 -3.144
25 1HH2 ARG 2 HH11 ARG 2 -3.370 -5.566 -3.938
26 2HH2 ARG 2 HH12 ARG 2 -1.256 -3.281 -1.324
27 H1 NAL 3 HD2 NAL 3 -3.421 2.343 0.862
28 H3 NAL 3 HD1 NAL 3 -5.839 3.886 -2.351
29 H4 NAL 3 HE1 NAL 3 -7.107 1.770 -2.425
30 H5 NAL 3 HH1 NAL 3 -7.467 -0.526 -1.616
31 H6 NAL 3 HT1 NAL 3 -6.842 -2.385 -0.096
32 H7 NAL 3 HH2 NAL 3 -5.006 -2.088 1.549
33 H8 NAL 3 HZ2 NAL 3 -3.791 0.075 1.684
34 1H9 NAL 3 HB2 NAL 3 -3.976 5.152 0.109
35 2H9 NAL 3 HB3 NAL 3 -4.011 5.127 -1.627
36 H10 NAL 3 HA NAL 3 -1.750 5.247 -1.340
37 1HN NAL 3 HN NAL 3 -1.401 2.434 -1.166
38 H1 NAL 4 HD2 NAL 4 0.187 -0.559 3.306
39 H3 NAL 4 HD1 NAL 4 -1.043 3.201 4.999
40 H4 NAL 4 HE1 NAL 4 -0.458 2.374 7.261
41 H5 NAL 4 HH1 NAL 4 0.428 0.589 8.712
42 H6 NAL 4 HT1 NAL 4 1.378 -1.685 8.976
43 H7 NAL 4 HH2 NAL 4 1.708 -3.139 6.988
44 H8 NAL 4 HZ2 NAL 4 1.085 -2.323 4.733
45 1H9 NAL 4 HB2 NAL 4 -1.863 2.245 2.654
46 2H9 NAL 4 HB3 NAL 4 -0.830 1.040 1.913
47 H10 NAL 4 HA NAL 4 0.059 3.847 2.717
48 1HN NAL 4 HN NAL 4 -0.233 2.841 -0.054
49 H ARG 5 H ARG 5 1.610 1.506 3.518
50 HA ARG 5 HA ARG 5 4.120 1.766 2.226
51 1HB ARG 5 HB2 ARG 5 3.010 -0.413 4.062
52 2HB ARG 5 HB3 ARG 5 4.608 -0.527 3.377
53 1HG ARG 5 HG2 ARG 5 4.725 0.377 5.602
54 2HG ARG 5 HG3 ARG 5 5.339 1.526 4.414
55 1HD ARG 5 HD2 ARG 5 3.230 2.799 4.534
56 2HD ARG 5 HD3 ARG 5 2.578 1.632 5.699
57 HE ARG 5 HE ARG 5 4.592 2.338 7.134
58 1HH1 ARG 5 HH22 ARG 5 3.421 6.012 5.856
59 2HH1 ARG 5 HH21 ARG 5 4.649 5.771 7.762
60 1HH2 ARG 5 HH11 ARG 5 5.151 4.188 8.309
61 2HH2 ARG 5 HH12 ARG 5 2.963 4.615 4.910
62 H PHE 6 HN PHE 6 1.386 0.526 0.759
63 HA PHE 6 HA PHE 6 2.841 -1.311 -1.063
64 1HB PHE 6 HB2 PHE 6 -0.073 -0.623 -1.317
65 2HB PHE 6 HB3 PHE 6 0.773 -2.113 -1.729
66 HD1 PHE 6 HD1 PHE 6 1.876 -3.270 0.595
67 HD2 PHE 6 HD2 PHE 6 -1.665 -0.820 0.323
68 HE1 PHE 6 HE1 PHE 6 1.028 -4.235 2.721
69 HE2 PHE 6 HE2 PHE 6 -2.514 -1.811 2.424
70 HZ PHE 6 HZ PHE 6 -1.156 -3.465 3.664
Start of MODEL 4
1 H ARG 1 H ARG 1 2.044 -1.015 -3.561
2 HA ARG 1 HA ARG 1 2.509 1.717 -4.347
3 1HB ARG 1 HB2 ARG 1 2.088 0.854 -6.633
4 2HB ARG 1 HB3 ARG 1 3.300 -0.041 -5.728
5 1HG ARG 1 HG2 ARG 1 1.667 -1.843 -5.259
6 2HG ARG 1 HG3 ARG 1 0.418 -0.962 -6.164
7 1HD ARG 1 HD2 ARG 1 1.630 -1.203 -8.228
8 2HD ARG 1 HD3 ARG 1 3.104 -1.702 -7.378
9 HE ARG 1 HE ARG 1 0.816 -3.469 -6.964
10 1HH1 ARG 1 HH21 ARG 1 2.345 -6.083 -8.712
11 2HH1 ARG 1 HH22 ARG 1 3.815 -4.516 -9.497
12 1HH2 ARG 1 HH11 ARG 1 1.059 -5.630 -7.617
13 2HH2 ARG 1 HH12 ARG 1 3.669 -2.842 -9.011
14 H ARG 2 H ARG 2 -0.180 0.661 -2.826
15 HA ARG 2 HA ARG 2 -2.195 1.808 -4.617
16 1HB ARG 2 HB2 ARG 2 -2.561 0.548 -1.884
17 2HB ARG 2 HB3 ARG 2 -3.801 0.876 -3.109
18 1HG ARG 2 HG2 ARG 2 -2.781 -0.832 -4.589
19 2HG ARG 2 HG3 ARG 2 -1.534 -1.145 -3.358
20 1HD ARG 2 HD2 ARG 2 -3.425 -1.624 -1.718
21 2HD ARG 2 HD3 ARG 2 -4.529 -1.606 -3.106
22 HE ARG 2 HE ARG 2 -2.437 -3.347 -3.771
23 1HH1 ARG 2 HH21 ARG 2 -3.575 -6.288 -2.260
24 2HH1 ARG 2 HH22 ARG 2 -4.990 -4.950 -1.050
25 1HH2 ARG 2 HH11 ARG 2 -2.474 -5.590 -3.426
26 2HH2 ARG 2 HH12 ARG 2 -4.980 -3.216 -1.279
27 H1 NAL 3 HD2 NAL 3 -2.708 1.875 0.808
28 H3 NAL 3 HD1 NAL 3 -6.144 3.364 -1.316
29 H4 NAL 3 HE1 NAL 3 -7.261 1.182 -1.034
30 H5 NAL 3 HH1 NAL 3 -7.235 -1.135 -0.194
31 H6 NAL 3 HT1 NAL 3 -6.062 -2.968 0.998
32 H7 NAL 3 HH2 NAL 3 -3.775 -2.608 1.900
33 H8 NAL 3 HZ2 NAL 3 -2.665 -0.406 1.630
34 1H9 NAL 3 HB2 NAL 3 -3.971 4.801 0.330
35 2H9 NAL 3 HB3 NAL 3 -4.115 4.590 -1.385
36 H10 NAL 3 HA NAL 3 -1.894 5.129 -1.208
37 1HN NAL 3 HN NAL 3 -1.276 2.297 -1.092
38 H1 NAL 4 HD2 NAL 4 -0.948 -0.253 3.370
39 H3 NAL 4 HD1 NAL 4 0.246 3.189 5.671
40 H4 NAL 4 HE1 NAL 4 1.172 1.700 7.421
41 H5 NAL 4 HH1 NAL 4 1.593 -0.570 8.285
42 H6 NAL 4 HT1 NAL 4 1.397 -3.029 8.034
43 H7 NAL 4 HH2 NAL 4 0.308 -3.996 6.020
44 H8 NAL 4 HZ2 NAL 4 -0.578 -2.502 4.251
45 1H9 NAL 4 HB2 NAL 4 -1.774 3.092 3.785
46 2H9 NAL 4 HB3 NAL 4 -1.537 1.801 2.636
47 H10 NAL 4 HA NAL 4 -0.098 4.366 2.950
48 1HN NAL 4 HN NAL 4 -0.274 2.657 0.503
49 H ARG 5 H ARG 5 1.023 1.158 1.699
50 HA ARG 5 HA ARG 5 3.758 2.084 1.867
51 1HB ARG 5 HB2 ARG 5 4.335 1.295 3.803
52 2HB ARG 5 HB3 ARG 5 2.717 0.747 4.135
53 1HG ARG 5 HG2 ARG 5 4.909 -0.934 2.847
54 2HG ARG 5 HG3 ARG 5 4.430 -0.928 4.540
55 1HD ARG 5 HD2 ARG 5 2.007 -1.426 3.436
56 2HD ARG 5 HD3 ARG 5 3.035 -2.140 2.190
57 HE ARG 5 HE ARG 5 2.535 -3.101 4.887
58 1HH1 ARG 5 HH11 ARG 5 4.918 -3.247 2.240
59 2HH1 ARG 5 HH12 ARG 5 3.519 -4.984 5.638
60 1HH2 ARG 5 HH22 ARG 5 4.857 -5.696 4.766
61 2HH2 ARG 5 HH21 ARG 5 5.648 -4.716 2.848
62 H PHE 6 HN PHE 6 1.304 -0.040 0.748
63 HA PHE 6 HA PHE 6 3.010 -1.395 -1.222
64 1HB PHE 6 HB2 PHE 6 -0.014 -1.067 -1.151
65 2HB PHE 6 HB3 PHE 6 0.907 -2.236 -2.093
66 HD1 PHE 6 HD1 PHE 6 -1.289 -2.145 0.478
67 HD2 PHE 6 HD2 PHE 6 2.701 -3.582 -0.312
68 HE1 PHE 6 HE1 PHE 6 -1.528 -3.815 2.291
69 HE2 PHE 6 HE2 PHE 6 2.457 -5.242 1.510
70 HZ PHE 6 HZ PHE 6 0.348 -5.360 2.819
Start of MODEL 5
1 H ARG 1 H ARG 1 2.453 -0.551 -3.284
2 HA ARG 1 HA ARG 1 2.498 2.132 -3.797
3 1HB ARG 1 HB2 ARG 1 3.151 0.150 -5.261
4 2HB ARG 1 HB3 ARG 1 1.477 0.139 -5.836
5 1HG ARG 1 HG2 ARG 1 1.774 2.528 -6.582
6 2HG ARG 1 HG3 ARG 1 3.442 2.477 -5.990
7 1HD ARG 1 HD2 ARG 1 3.900 0.612 -7.600
8 2HD ARG 1 HD3 ARG 1 2.255 0.777 -8.231
9 HE ARG 1 HE ARG 1 4.559 2.475 -8.746
10 1HH1 ARG 1 HH11 ARG 1 0.989 2.479 -8.758
11 2HH1 ARG 1 HH12 ARG 1 4.382 4.202 -10.184
12 1HH2 ARG 1 HH21 ARG 1 0.902 3.820 -9.879
13 2HH2 ARG 1 HH22 ARG 1 2.811 4.789 -10.679
14 H ARG 2 H ARG 2 -0.442 0.341 -3.280
15 HA ARG 2 HA ARG 2 -2.318 1.751 -4.787
16 1HB ARG 2 HB2 ARG 2 -2.751 0.465 -2.073
17 2HB ARG 2 HB3 ARG 2 -3.956 0.763 -3.321
18 1HG ARG 2 HG2 ARG 2 -3.660 -1.393 -3.778
19 2HG ARG 2 HG3 ARG 2 -2.318 -0.801 -4.763
20 1HD ARG 2 HD2 ARG 2 -0.782 -1.227 -2.785
21 2HD ARG 2 HD3 ARG 2 -2.162 -1.846 -1.882
22 HE ARG 2 HE ARG 2 -2.375 -3.660 -3.392
23 1HH1 ARG 2 HH11 ARG 2 0.546 -1.737 -4.103
24 2HH1 ARG 2 HH12 ARG 2 -1.338 -5.307 -4.570
25 1HH2 ARG 2 HH21 ARG 2 1.287 -3.018 -5.036
26 2HH2 ARG 2 HH22 ARG 2 0.225 -5.025 -5.299
27 H1 NAL 3 HD2 NAL 3 -2.891 1.843 0.681
28 H3 NAL 3 HD1 NAL 3 -6.088 3.268 -1.826
29 H4 NAL 3 HE1 NAL 3 -7.052 0.995 -1.887
30 H5 NAL 3 HH1 NAL 3 -6.928 -1.390 -1.280
31 H6 NAL 3 HT1 NAL 3 -5.767 -3.244 -0.111
32 H7 NAL 3 HH2 NAL 3 -3.705 -2.796 1.203
33 H8 NAL 3 HZ2 NAL 3 -2.801 -0.487 1.349
34 1H9 NAL 3 HB2 NAL 3 -4.043 4.638 0.332
35 2H9 NAL 3 HB3 NAL 3 -4.281 4.682 -1.389
36 H10 NAL 3 HA NAL 3 -2.051 5.150 -1.355
37 1HN NAL 3 HN NAL 3 -1.304 2.383 -1.362
38 H1 NAL 4 HD2 NAL 4 -0.018 -0.438 3.663
39 H3 NAL 4 HD1 NAL 4 -0.436 3.700 4.835
40 H4 NAL 4 HE1 NAL 4 0.260 3.116 7.139
41 H5 NAL 4 HH1 NAL 4 1.008 1.450 8.771
42 H6 NAL 4 HT1 NAL 4 1.568 -0.893 9.344
43 H7 NAL 4 HH2 NAL 4 1.415 -2.661 7.616
44 H8 NAL 4 HZ2 NAL 4 0.680 -2.096 5.306
45 1H9 NAL 4 HB2 NAL 4 -1.708 2.414 2.717
46 2H9 NAL 4 HB3 NAL 4 -0.732 1.108 2.070
47 H10 NAL 4 HA NAL 4 0.257 3.963 2.519
48 1HN NAL 4 HN NAL 4 -0.240 2.707 -0.119
49 H ARG 5 H ARG 5 1.734 1.647 3.467
50 HA ARG 5 HA ARG 5 4.252 1.712 2.197
51 1HB ARG 5 HB2 ARG 5 2.965 -0.334 4.049
52 2HB ARG 5 HB3 ARG 5 4.490 -0.719 3.282
53 1HG ARG 5 HG2 ARG 5 4.791 0.276 5.509
54 2HG ARG 5 HG3 ARG 5 5.613 1.155 4.214
55 1HD ARG 5 HD2 ARG 5 3.792 2.837 4.197
56 2HD ARG 5 HD3 ARG 5 2.966 1.948 5.485
57 HE ARG 5 HE ARG 5 4.500 2.812 7.032
58 1HH1 ARG 5 HH11 ARG 5 5.732 3.492 3.748
59 2HH1 ARG 5 HH12 ARG 5 6.180 4.145 7.734
60 1HH2 ARG 5 HH21 ARG 5 7.017 4.515 4.349
61 2HH2 ARG 5 HH22 ARG 5 7.267 4.879 6.577
62 H PHE 6 HN PHE 6 1.405 0.127 1.046
63 HA PHE 6 HA PHE 6 2.909 -1.223 -1.140
64 1HB PHE 6 HB2 PHE 6 -0.065 -1.269 -0.681
65 2HB PHE 6 HB3 PHE 6 0.937 -2.470 -1.505
66 HD1 PHE 6 HD1 PHE 6 -1.089 -2.043 1.207
67 HD2 PHE 6 HD2 PHE 6 2.939 -3.339 0.371
68 HE1 PHE 6 HE1 PHE 6 -1.001 -3.173 3.403
69 HE2 PHE 6 HE2 PHE 6 3.024 -4.464 2.582
70 HZ PHE 6 HZ PHE 6 1.060 -4.334 4.123
Start of MODEL 6
1 H ARG 1 H ARG 1 2.131 -0.796 -3.459
2 HA ARG 1 HA ARG 1 2.366 1.819 -4.559
3 1HB ARG 1 HB2 ARG 1 1.246 -0.801 -5.607
4 2HB ARG 1 HB3 ARG 1 1.231 0.683 -6.564
5 1HG ARG 1 HG2 ARG 1 3.676 0.901 -6.357
6 2HG ARG 1 HG3 ARG 1 3.742 -0.619 -5.436
7 1HD ARG 1 HD2 ARG 1 2.853 -1.865 -7.329
8 2HD ARG 1 HD3 ARG 1 2.558 -0.383 -8.240
9 HE ARG 1 HE ARG 1 5.190 -1.642 -7.654
10 1HH1 ARG 1 HH11 ARG 1 3.408 0.891 -9.442
11 2HH1 ARG 1 HH12 ARG 1 6.911 -1.138 -9.051
12 1HH2 ARG 1 HH21 ARG 1 4.769 1.236 -10.485
13 2HH2 ARG 1 HH22 ARG 1 6.720 0.106 -10.265
14 H ARG 2 H ARG 2 -0.437 0.303 -3.023
15 HA ARG 2 HA ARG 2 -2.363 1.640 -4.616
16 1HB ARG 2 HB2 ARG 2 -2.749 0.505 -1.834
17 2HB ARG 2 HB3 ARG 2 -3.983 0.891 -3.056
18 1HG ARG 2 HG2 ARG 2 -3.932 -1.270 -3.511
19 2HG ARG 2 HG3 ARG 2 -2.526 -0.855 -4.495
20 1HD ARG 2 HD2 ARG 2 -1.059 -1.478 -2.561
21 2HD ARG 2 HD3 ARG 2 -2.488 -1.924 -1.614
22 HE ARG 2 HE ARG 2 -2.395 -3.270 -4.171
23 1HH1 ARG 2 HH11 ARG 2 -0.940 -3.425 -0.910
24 2HH1 ARG 2 HH12 ARG 2 -1.886 -5.462 -4.299
25 1HH2 ARG 2 HH21 ARG 2 -0.566 -5.126 -1.057
26 2HH2 ARG 2 HH22 ARG 2 -1.098 -6.275 -2.965
27 H1 NAL 3 HD2 NAL 3 -3.012 2.070 0.814
28 H3 NAL 3 HD1 NAL 3 -5.975 3.577 -1.924
29 H4 NAL 3 HE1 NAL 3 -7.086 1.374 -1.932
30 H5 NAL 3 HH1 NAL 3 -7.134 -1.011 -1.235
31 H6 NAL 3 HT1 NAL 3 -6.101 -2.887 0.019
32 H7 NAL 3 HH2 NAL 3 -4.100 -2.492 1.435
33 H8 NAL 3 HZ2 NAL 3 -3.101 -0.227 1.576
34 1H9 NAL 3 HB2 NAL 3 -3.928 4.925 0.277
35 2H9 NAL 3 HB3 NAL 3 -4.124 4.907 -1.443
36 H10 NAL 3 HA NAL 3 -1.872 5.217 -1.386
37 1HN NAL 3 HN NAL 3 -1.357 2.385 -1.210
38 H1 NAL 4 HD2 NAL 4 -0.733 -0.196 4.035
39 H3 NAL 4 HD1 NAL 4 -0.330 4.014 4.920
40 H4 NAL 4 HE1 NAL 4 0.340 3.454 7.234
41 H5 NAL 4 HH1 NAL 4 0.911 1.741 8.956
42 H6 NAL 4 HT1 NAL 4 0.842 -0.613 9.707
43 H7 NAL 4 HH2 NAL 4 0.106 -2.391 8.149
44 H8 NAL 4 HZ2 NAL 4 -0.425 -1.848 5.788
45 1H9 NAL 4 HB2 NAL 4 -1.836 2.739 2.860
46 2H9 NAL 4 HB3 NAL 4 -0.991 1.306 2.306
47 H10 NAL 4 HA NAL 4 0.220 4.089 2.586
48 1HN NAL 4 HN NAL 4 -0.267 2.689 0.019
49 H ARG 5 H ARG 5 1.383 1.422 3.534
50 HA ARG 5 HA ARG 5 4.056 1.549 2.499
51 1HB ARG 5 HB2 ARG 5 2.621 -0.454 4.269
52 2HB ARG 5 HB3 ARG 5 4.151 -0.930 3.573
53 1HG ARG 5 HG2 ARG 5 4.473 0.005 5.771
54 2HG ARG 5 HG3 ARG 5 5.301 0.986 4.545
55 1HD ARG 5 HD2 ARG 5 3.481 2.606 4.584
56 2HD ARG 5 HD3 ARG 5 2.578 1.572 5.721
57 HE ARG 5 HE ARG 5 4.965 2.050 7.003
58 1HH1 ARG 5 HH11 ARG 5 2.484 4.169 5.618
59 2HH1 ARG 5 HH12 ARG 5 5.399 3.770 8.419
60 1HH2 ARG 5 HH22 ARG 5 4.491 5.259 8.318
61 2HH2 ARG 5 HH21 ARG 5 2.816 5.491 6.714
62 H PHE 6 HN PHE 6 1.565 0.798 0.638
63 HA PHE 6 HA PHE 6 3.145 -0.964 -1.171
64 1HB PHE 6 HB2 PHE 6 0.137 -0.896 -1.005
65 2HB PHE 6 HB3 PHE 6 1.170 -2.110 -1.769
66 HD1 PHE 6 HD1 PHE 6 -0.833 -1.369 1.110
67 HD2 PHE 6 HD2 PHE 6 2.764 -3.420 -0.106
68 HE1 PHE 6 HE1 PHE 6 -0.933 -2.770 3.155
69 HE2 PHE 6 HE2 PHE 6 2.662 -4.804 1.948
70 HZ PHE 6 HZ PHE 6 0.816 -4.481 3.581
Start of MODEL 7
1 H ARG 1 H ARG 1 1.840 -1.320 -3.452
2 HA ARG 1 HA ARG 1 2.554 1.115 -4.677
3 1HB ARG 1 HB2 ARG 1 0.829 -1.178 -5.710
4 2HB ARG 1 HB3 ARG 1 1.629 0.045 -6.703
5 1HG ARG 1 HG2 ARG 1 3.850 -0.762 -5.884
6 2HG ARG 1 HG3 ARG 1 3.018 -2.068 -5.007
7 1HD ARG 1 HD2 ARG 1 2.002 -2.823 -7.175
8 2HD ARG 1 HD3 ARG 1 2.922 -1.570 -8.013
9 HE ARG 1 HE ARG 1 4.905 -2.749 -7.707
10 1HH1 ARG 1 HH22 ARG 1 3.187 -5.955 -5.905
11 2HH1 ARG 1 HH21 ARG 1 5.338 -6.056 -6.687
12 1HH2 ARG 1 HH11 ARG 1 6.066 -4.669 -7.463
13 2HH2 ARG 1 HH12 ARG 1 2.250 -4.488 -6.076
14 H ARG 2 H ARG 2 -0.131 0.973 -2.731
15 HA ARG 2 HA ARG 2 -1.937 2.304 -4.687
16 1HB ARG 2 HB2 ARG 2 -2.746 0.728 -2.238
17 2HB ARG 2 HB3 ARG 2 -3.769 1.401 -3.508
18 1HG ARG 2 HG2 ARG 2 -3.735 -0.731 -4.233
19 2HG ARG 2 HG3 ARG 2 -2.307 -0.152 -5.097
20 1HD ARG 2 HD2 ARG 2 -0.892 -1.067 -3.193
21 2HD ARG 2 HD3 ARG 2 -2.382 -1.671 -2.446
22 HE ARG 2 HE ARG 2 -2.014 -2.517 -5.202
23 1HH1 ARG 2 HH22 ARG 2 -0.991 -5.047 -2.192
24 2HH1 ARG 2 HH21 ARG 2 -1.202 -5.808 -4.347
25 1HH2 ARG 2 HH11 ARG 2 -1.636 -4.710 -5.636
26 2HH2 ARG 2 HH12 ARG 2 -1.266 -3.361 -1.819
27 H1 NAL 3 HD2 NAL 3 -3.234 1.950 0.632
28 H3 NAL 3 HD1 NAL 3 -5.915 3.895 -2.130
29 H4 NAL 3 HE1 NAL 3 -7.147 1.779 -2.428
30 H5 NAL 3 HH1 NAL 3 -7.420 -0.614 -1.934
31 H6 NAL 3 HT1 NAL 3 -6.671 -2.655 -0.741
32 H7 NAL 3 HH2 NAL 3 -4.721 -2.558 0.795
33 H8 NAL 3 HZ2 NAL 3 -3.515 -0.417 1.144
34 1H9 NAL 3 HB2 NAL 3 -4.081 4.933 0.261
35 2H9 NAL 3 HB3 NAL 3 -3.976 5.005 -1.468
36 H10 NAL 3 HA NAL 3 -1.767 5.241 -0.988
37 1HN NAL 3 HN NAL 3 -1.432 2.352 -1.059
38 H1 NAL 4 HD2 NAL 4 -0.205 -0.759 3.370
39 H3 NAL 4 HD1 NAL 4 -0.619 2.937 5.554
40 H4 NAL 4 HE1 NAL 4 0.419 1.885 7.537
41 H5 NAL 4 HH1 NAL 4 1.494 -0.061 8.599
42 H6 NAL 4 HT1 NAL 4 2.251 -2.416 8.488
43 H7 NAL 4 HH2 NAL 4 1.917 -3.737 6.409
44 H8 NAL 4 HZ2 NAL 4 0.820 -2.699 4.444
45 1H9 NAL 4 HB2 NAL 4 -2.078 2.123 3.275
46 2H9 NAL 4 HB3 NAL 4 -1.072 1.086 2.278
47 H10 NAL 4 HA NAL 4 -0.524 3.911 3.206
48 1HN NAL 4 HN NAL 4 -0.299 2.734 0.462
49 H ARG 5 H ARG 5 1.161 1.360 1.342
50 HA ARG 5 HA ARG 5 3.827 2.280 1.901
51 1HB ARG 5 HB2 ARG 5 3.709 1.574 4.062
52 2HB ARG 5 HB3 ARG 5 2.490 0.367 3.771
53 1HG ARG 5 HG2 ARG 5 5.384 -0.067 2.957
54 2HG ARG 5 HG3 ARG 5 4.746 -0.397 4.569
55 1HD ARG 5 HD2 ARG 5 2.881 -1.755 3.223
56 2HD ARG 5 HD3 ARG 5 4.145 -1.842 1.996
57 HE ARG 5 HE ARG 5 4.070 -3.090 4.658
58 1HH1 ARG 5 HH22 ARG 5 7.363 -3.512 2.323
59 2HH1 ARG 5 HH21 ARG 5 7.062 -4.819 4.185
60 1HH2 ARG 5 HH11 ARG 5 5.636 -4.630 5.178
61 2HH2 ARG 5 HH12 ARG 5 6.169 -2.313 1.882
62 H PHE 6 HN PHE 6 1.479 -0.051 0.762
63 HA PHE 6 HA PHE 6 3.291 -1.307 -1.182
64 1HB PHE 6 HB2 PHE 6 0.274 -1.445 -0.787
65 2HB PHE 6 HB3 PHE 6 1.209 -2.460 -1.877
66 HD1 PHE 6 HD1 PHE 6 -0.462 -2.649 1.099
67 HD2 PHE 6 HD2 PHE 6 3.446 -3.511 -0.519
68 HE1 PHE 6 HE1 PHE 6 -0.088 -4.335 2.875
69 HE2 PHE 6 HE2 PHE 6 3.822 -5.169 1.281
70 HZ PHE 6 HZ PHE 6 2.058 -5.584 2.982
Start of MODEL 8
1 H ARG 1 H ARG 1 1.790 -1.263 -3.520
2 HA ARG 1 HA ARG 1 2.598 1.306 -4.583
3 1HB ARG 1 HB2 ARG 1 1.096 -0.890 -6.042
4 2HB ARG 1 HB3 ARG 1 2.186 0.315 -6.712
5 1HG ARG 1 HG2 ARG 1 2.901 -2.190 -5.148
6 2HG ARG 1 HG3 ARG 1 3.211 -1.815 -6.831
7 1HD ARG 1 HD2 ARG 1 5.288 -1.445 -6.017
8 2HD ARG 1 HD3 ARG 1 4.646 0.194 -5.823
9 HE ARG 1 HE ARG 1 4.035 -1.072 -3.443
10 1HH1 ARG 1 HH11 ARG 1 7.095 -0.572 -5.197
11 2HH1 ARG 1 HH12 ARG 1 5.320 -1.173 -1.589
12 1HH2 ARG 1 HH22 ARG 1 7.056 -1.003 -1.706
13 2HH2 ARG 1 HH21 ARG 1 8.060 -0.657 -3.741
14 H ARG 2 H ARG 2 0.158 1.218 -2.691
15 HA ARG 2 HA ARG 2 -2.019 2.032 -4.546
16 1HB ARG 2 HB2 ARG 2 -2.355 0.607 -1.906
17 2HB ARG 2 HB3 ARG 2 -3.564 0.950 -3.161
18 1HG ARG 2 HG2 ARG 2 -2.456 -0.648 -4.678
19 2HG ARG 2 HG3 ARG 2 -1.177 -0.921 -3.496
20 1HD ARG 2 HD2 ARG 2 -2.570 -2.779 -3.254
21 2HD ARG 2 HD3 ARG 2 -2.888 -1.756 -1.857
22 HE ARG 2 HE ARG 2 -5.082 -1.670 -2.492
23 1HH1 ARG 2 HH21 ARG 2 -6.748 -2.465 -5.442
24 2HH1 ARG 2 HH22 ARG 2 -4.683 -2.823 -6.359
25 1HH2 ARG 2 HH11 ARG 2 -6.906 -1.935 -3.783
26 2HH2 ARG 2 HH12 ARG 2 -3.236 -2.571 -5.410
27 H1 NAL 3 HD2 NAL 3 -3.058 1.924 0.872
28 H3 NAL 3 HD1 NAL 3 -5.947 3.414 -1.954
29 H4 NAL 3 HE1 NAL 3 -7.032 1.199 -2.013
30 H5 NAL 3 HH1 NAL 3 -7.144 -1.142 -1.258
31 H6 NAL 3 HT1 NAL 3 -6.224 -2.999 0.105
32 H7 NAL 3 HH2 NAL 3 -4.226 -2.628 1.535
33 H8 NAL 3 HZ2 NAL 3 -3.149 -0.395 1.613
34 1H9 NAL 3 HB2 NAL 3 -4.139 4.778 0.320
35 2H9 NAL 3 HB3 NAL 3 -4.102 4.745 -1.415
36 H10 NAL 3 HA NAL 3 -1.904 5.205 -1.010
37 1HN NAL 3 HN NAL 3 -1.344 2.355 -0.963
38 H1 NAL 4 HD2 NAL 4 -0.131 -0.456 3.390
39 H3 NAL 4 HD1 NAL 4 -0.633 3.097 5.772
40 H4 NAL 4 HE1 NAL 4 0.425 1.953 7.699
41 H5 NAL 4 HH1 NAL 4 1.540 -0.031 8.652
42 H6 NAL 4 HT1 NAL 4 2.404 -2.339 8.380
43 H7 NAL 4 HH2 NAL 4 2.159 -3.517 6.205
44 H8 NAL 4 HZ2 NAL 4 1.038 -2.390 4.301
45 1H9 NAL 4 HB2 NAL 4 -2.027 2.521 3.529
46 2H9 NAL 4 HB3 NAL 4 -1.254 1.346 2.482
47 H10 NAL 4 HA NAL 4 -0.359 4.141 3.186
48 1HN NAL 4 HN NAL 4 -0.284 2.782 0.528
49 H ARG 5 H ARG 5 1.075 1.385 1.375
50 HA ARG 5 HA ARG 5 3.788 2.242 1.789
51 1HB ARG 5 HB2 ARG 5 3.816 1.516 3.940
52 2HB ARG 5 HB3 ARG 5 2.542 0.348 3.726
53 1HG ARG 5 HG2 ARG 5 5.369 -0.138 2.738
54 2HG ARG 5 HG3 ARG 5 4.783 -0.548 4.351
55 1HD ARG 5 HD2 ARG 5 2.807 -1.646 2.712
56 2HD ARG 5 HD3 ARG 5 4.289 -1.915 1.783
57 HE ARG 5 HE ARG 5 4.396 -2.634 4.632
58 1HH1 ARG 5 HH22 ARG 5 3.910 -5.522 1.822
59 2HH1 ARG 5 HH21 ARG 5 4.355 -6.069 4.004
60 1HH2 ARG 5 HH11 ARG 5 4.558 -4.817 5.208
61 2HH2 ARG 5 HH12 ARG 5 3.766 -3.846 1.343
62 H PHE 6 HN PHE 6 1.375 -0.138 0.793
63 HA PHE 6 HA PHE 6 2.971 -1.527 -1.166
64 1HB PHE 6 HB2 PHE 6 -0.031 -1.003 -0.998
65 2HB PHE 6 HB3 PHE 6 0.744 -2.187 -2.041
66 HD1 PHE 6 HD1 PHE 6 1.804 -4.231 -1.149
67 HD2 PHE 6 HD2 PHE 6 -0.485 -1.546 1.331
68 HE1 PHE 6 HE1 PHE 6 1.499 -6.034 0.526
69 HE2 PHE 6 HE2 PHE 6 -0.776 -3.351 3.008
70 HZ PHE 6 HZ PHE 6 0.217 -5.595 2.610
Start of MODEL 9
1 H ARG 1 H ARG 1 1.981 -0.877 -3.438
2 HA ARG 1 HA ARG 1 2.499 1.790 -4.373
3 1HB ARG 1 HB2 ARG 1 2.908 -0.383 -5.556
4 2HB ARG 1 HB3 ARG 1 1.164 -0.593 -5.735
5 1HG ARG 1 HG2 ARG 1 1.043 1.365 -7.205
6 2HG ARG 1 HG3 ARG 1 2.753 1.745 -6.892
7 1HD ARG 1 HD2 ARG 1 3.429 -0.381 -7.930
8 2HD ARG 1 HD3 ARG 1 1.728 -0.824 -8.180
9 HE ARG 1 HE ARG 1 2.062 1.648 -9.428
10 1HH1 ARG 1 HH22 ARG 1 3.694 -1.417 -11.536
11 2HH1 ARG 1 HH21 ARG 1 3.112 0.541 -12.576
12 1HH2 ARG 1 HH11 ARG 1 2.408 1.856 -11.664
13 2HH2 ARG 1 HH12 ARG 1 3.441 -1.616 -9.817
14 H ARG 2 H ARG 2 -0.261 0.487 -2.828
15 HA ARG 2 HA ARG 2 -2.338 1.543 -4.478
16 1HB ARG 2 HB2 ARG 2 -2.547 0.601 -1.608
17 2HB ARG 2 HB3 ARG 2 -3.825 0.697 -2.838
18 1HG ARG 2 HG2 ARG 2 -2.665 -1.090 -4.143
19 2HG ARG 2 HG3 ARG 2 -1.413 -1.172 -2.910
20 1HD ARG 2 HD2 ARG 2 -2.629 -2.802 -1.977
21 2HD ARG 2 HD3 ARG 2 -3.621 -1.509 -1.322
22 HE ARG 2 HE ARG 2 -4.548 -2.112 -3.956
23 1HH1 ARG 2 HH11 ARG 2 -4.418 -3.788 -0.816
24 2HH1 ARG 2 HH12 ARG 2 -6.340 -3.381 -4.374
25 1HH2 ARG 2 HH22 ARG 2 -6.887 -4.561 -3.207
26 2HH2 ARG 2 HH21 ARG 2 -5.800 -4.793 -1.195
27 H1 NAL 3 HD2 NAL 3 -3.228 2.305 0.940
28 H3 NAL 3 HD1 NAL 3 -5.919 3.726 -2.107
29 H4 NAL 3 HE1 NAL 3 -7.145 1.585 -2.025
30 H5 NAL 3 HH1 NAL 3 -7.423 -0.679 -1.099
31 H6 NAL 3 HT1 NAL 3 -6.679 -2.463 0.454
32 H7 NAL 3 HH2 NAL 3 -4.704 -2.102 1.918
33 H8 NAL 3 HZ2 NAL 3 -3.486 0.058 1.855
34 1H9 NAL 3 HB2 NAL 3 -3.961 5.097 0.192
35 2H9 NAL 3 HB3 NAL 3 -4.080 5.033 -1.542
36 H10 NAL 3 HA NAL 3 -1.818 5.272 -1.358
37 1HN NAL 3 HN NAL 3 -1.328 2.481 -1.142
38 H1 NAL 4 HD2 NAL 4 -0.830 -0.240 4.085
39 H3 NAL 4 HD1 NAL 4 -0.026 3.915 4.879
40 H4 NAL 4 HE1 NAL 4 0.692 3.347 7.171
41 H5 NAL 4 HH1 NAL 4 1.083 1.670 8.926
42 H6 NAL 4 HT1 NAL 4 0.996 -0.685 9.698
43 H7 NAL 4 HH2 NAL 4 0.189 -2.469 8.172
44 H8 NAL 4 HZ2 NAL 4 -0.514 -1.907 5.859
45 1H9 NAL 4 HB2 NAL 4 -1.868 2.656 2.948
46 2H9 NAL 4 HB3 NAL 4 -0.994 1.262 2.333
47 H10 NAL 4 HA NAL 4 0.167 4.062 2.648
48 1HN NAL 4 HN NAL 4 -0.373 2.732 0.067
49 H ARG 5 H ARG 5 1.385 1.205 3.360
50 HA ARG 5 HA ARG 5 3.956 1.863 2.288
51 1HB ARG 5 HB2 ARG 5 4.951 0.366 3.567
52 2HB ARG 5 HB3 ARG 5 3.448 0.378 4.447
53 1HG ARG 5 HG2 ARG 5 4.417 -1.659 2.393
54 2HG ARG 5 HG3 ARG 5 4.362 -1.883 4.123
55 1HD ARG 5 HD2 ARG 5 1.754 -1.287 2.744
56 2HD ARG 5 HD3 ARG 5 2.516 -2.842 2.429
57 HE ARG 5 HE ARG 5 1.446 -1.862 5.007
58 1HH1 ARG 5 HH22 ARG 5 2.749 -5.680 4.522
59 2HH1 ARG 5 HH21 ARG 5 1.590 -5.070 6.390
60 1HH2 ARG 5 HH11 ARG 5 1.031 -3.425 6.597
61 2HH2 ARG 5 HH12 ARG 5 3.088 -4.511 3.266
62 H PHE 6 HN PHE 6 1.357 0.030 0.904
63 HA PHE 6 HA PHE 6 2.936 -1.297 -1.154
64 1HB PHE 6 HB2 PHE 6 -0.049 -0.775 -1.093
65 2HB PHE 6 HB3 PHE 6 0.820 -2.024 -1.997
66 HD1 PHE 6 HD1 PHE 6 1.969 -3.912 -0.686
67 HD2 PHE 6 HD2 PHE 6 -1.005 -1.285 1.011
68 HE1 PHE 6 HE1 PHE 6 1.458 -5.605 1.055
69 HE2 PHE 6 HE2 PHE 6 -1.505 -2.980 2.749
70 HZ PHE 6 HZ PHE 6 -0.281 -5.144 2.770
Start of MODEL 10
1 H ARG 1 H ARG 1 1.177 -0.860 -3.162
2 HA ARG 1 HA ARG 1 2.204 1.824 -4.000
3 1HB ARG 1 HB2 ARG 1 3.336 -0.368 -4.954
4 2HB ARG 1 HB3 ARG 1 1.962 -0.372 -6.041
5 1HG ARG 1 HG2 ARG 1 3.846 1.988 -5.593
6 2HG ARG 1 HG3 ARG 1 4.063 0.744 -6.816
7 1HD ARG 1 HD2 ARG 1 3.181 2.497 -8.022
8 2HD ARG 1 HD3 ARG 1 1.796 1.432 -7.786
9 HE ARG 1 HE ARG 1 1.236 2.998 -5.822
10 1HH1 ARG 1 HH11 ARG 1 2.827 4.210 -8.787
11 2HH1 ARG 1 HH12 ARG 1 0.335 5.060 -5.689
12 1HH2 ARG 1 HH22 ARG 1 0.715 6.271 -6.890
13 2HH2 ARG 1 HH21 ARG 1 2.109 5.795 -8.629
14 H ARG 2 H ARG 2 -0.102 1.737 -2.694
15 HA ARG 2 HA ARG 2 -2.131 2.216 -4.793
16 1HB ARG 2 HB2 ARG 2 -2.767 0.741 -2.220
17 2HB ARG 2 HB3 ARG 2 -3.827 1.139 -3.573
18 1HG ARG 2 HG2 ARG 2 -3.581 -1.011 -4.000
19 2HG ARG 2 HG3 ARG 2 -2.258 -0.387 -4.981
20 1HD ARG 2 HD2 ARG 2 -0.668 -0.988 -3.112
21 2HD ARG 2 HD3 ARG 2 -2.018 -1.558 -2.147
22 HE ARG 2 HE ARG 2 -2.391 -3.336 -3.645
23 1HH1 ARG 2 HH11 ARG 2 0.439 -1.441 -4.704
24 2HH1 ARG 2 HH12 ARG 2 -1.563 -4.964 -5.012
25 1HH2 ARG 2 HH22 ARG 2 -0.111 -4.675 -5.944
26 2HH2 ARG 2 HH21 ARG 2 1.016 -2.706 -5.763
27 H1 NAL 3 HD2 NAL 3 -3.731 1.970 0.497
28 H3 NAL 3 HD1 NAL 3 -5.818 4.197 -2.547
29 H4 NAL 3 HE1 NAL 3 -7.014 2.153 -3.240
30 H5 NAL 3 HH1 NAL 3 -7.386 -0.266 -3.033
31 H6 NAL 3 HT1 NAL 3 -6.879 -2.425 -1.924
32 H7 NAL 3 HH2 NAL 3 -5.266 -2.509 -0.035
33 H8 NAL 3 HZ2 NAL 3 -4.159 -0.432 0.747
34 1H9 NAL 3 HB2 NAL 3 -4.199 4.808 0.376
35 2H9 NAL 3 HB3 NAL 3 -4.189 5.265 -1.300
36 H10 NAL 3 HA NAL 3 -1.966 5.309 -1.092
37 1HN NAL 3 HN NAL 3 -1.574 2.477 -1.222
38 H1 NAL 4 HD2 NAL 4 0.340 -0.542 3.527
39 H3 NAL 4 HD1 NAL 4 -0.819 3.268 5.165
40 H4 NAL 4 HE1 NAL 4 0.177 2.620 7.336
41 H5 NAL 4 HH1 NAL 4 1.508 1.029 8.682
42 H6 NAL 4 HT1 NAL 4 2.729 -1.122 8.868
43 H7 NAL 4 HH2 NAL 4 2.828 -2.673 6.929
44 H8 NAL 4 HZ2 NAL 4 1.705 -2.079 4.797
45 1H9 NAL 4 HB2 NAL 4 -1.832 2.189 2.936
46 2H9 NAL 4 HB3 NAL 4 -0.861 0.952 2.166
47 H10 NAL 4 HA NAL 4 0.057 3.796 2.698
48 1HN NAL 4 HN NAL 4 -0.458 2.719 0.005
49 H ARG 5 H ARG 5 1.780 1.607 3.497
50 HA ARG 5 HA ARG 5 4.195 2.009 2.087
51 1HB ARG 5 HB2 ARG 5 3.351 -0.379 3.791
52 2HB ARG 5 HB3 ARG 5 4.952 -0.204 3.138
53 1HG ARG 5 HG2 ARG 5 4.619 0.475 5.559
54 2HG ARG 5 HG3 ARG 5 5.560 1.540 4.516
55 1HD ARG 5 HD2 ARG 5 3.634 3.034 4.234
56 2HD ARG 5 HD3 ARG 5 2.640 1.960 5.232
57 HE ARG 5 HE ARG 5 4.842 2.672 6.799
58 1HH1 ARG 5 HH22 ARG 5 2.198 5.724 6.295
59 2HH1 ARG 5 HH21 ARG 5 3.680 5.745 8.037
60 1HH2 ARG 5 HH11 ARG 5 4.819 4.435 8.256
61 2HH2 ARG 5 HH12 ARG 5 2.183 4.394 5.160
62 H PHE 6 HN PHE 6 1.507 0.216 1.015
63 HA PHE 6 HA PHE 6 2.776 -1.608 -0.834
64 1HB PHE 6 HB2 PHE 6 0.010 -0.477 -1.091
65 2HB PHE 6 HB3 PHE 6 0.593 -2.107 -1.474
66 HD1 PHE 6 HD1 PHE 6 1.677 -3.057 1.160
67 HD2 PHE 6 HD2 PHE 6 -1.811 -0.693 0.257
68 HE1 PHE 6 HE1 PHE 6 0.628 -3.767 3.293
69 HE2 PHE 6 HE2 PHE 6 -2.840 -1.391 2.394
70 HZ PHE 6 HZ PHE 6 -1.626 -2.865 3.968
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