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 |
|
|
622650 |
5ojt   |
34165 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ACE 1 1H1 ACE 1 2.019 -3.812 8.013
2 H2 ACE 1 2H1 ACE 1 1.885 -4.078 6.258
3 H3 ACE 1 3H1 ACE 1 3.399 -3.428 6.962
4 H ARG 2 H ARG 2 3.289 -1.596 5.716
5 HA ARG 2 HA ARG 2 1.409 0.561 6.656
6 HB2 ARG 2 1HB ARG 2 3.014 2.029 6.387
7 HB3 ARG 2 2HB ARG 2 4.062 0.670 6.323
8 HG2 ARG 2 1HG ARG 2 4.883 1.998 4.652
9 HG3 ARG 2 2HG ARG 2 3.974 0.865 3.688
10 HD2 ARG 2 1HD ARG 2 2.345 2.437 3.026
11 HD3 ARG 2 2HD ARG 2 2.418 3.338 4.542
12 HE ARG 2 HE ARG 2 4.981 3.703 3.176
13 HH11 ARG 2 1HH1 ARG 2 4.216 6.777 1.961
14 HH12 ARG 2 2HH1 ARG 2 5.492 5.563 2.414
15 HH21 ARG 2 1HH2 ARG 2 2.144 6.341 2.204
16 HH22 ARG 2 2HH2 ARG 2 1.666 4.710 2.879
17 H ALA 3 H ALA 3 1.868 -1.021 3.542
18 HA ALA 3 HA ALA 3 -0.559 0.531 2.436
19 HB1 ALA 3 1HB ALA 3 1.662 -0.964 0.881
20 HB2 ALA 3 2HB ALA 3 0.358 0.029 0.194
21 HB3 ALA 3 3HB ALA 3 1.617 0.794 1.167
22 H DCY 4 H CYS 4 -0.173 -2.437 3.890
23 HA DCY 4 HA CYS 4 -2.561 -3.611 2.788
24 HB2 DCY 4 3HB CYS 4 -1.373 -4.119 5.083
25 HB3 DCY 4 2HB CYS 4 -2.257 -5.394 4.254
26 H ARG 5 H ARG 5 0.757 -4.484 1.892
27 HA ARG 5 HA ARG 5 -0.177 -6.141 -0.498
28 HB2 ARG 5 1HB ARG 5 1.197 -3.386 -0.667
29 HB3 ARG 5 2HB ARG 5 1.414 -4.536 -1.954
30 HG2 ARG 5 1HG ARG 5 -0.684 -4.327 -2.841
31 HG3 ARG 5 2HG ARG 5 -1.487 -4.181 -1.302
32 HD2 ARG 5 1HD ARG 5 -0.621 -1.761 -1.082
33 HD3 ARG 5 2HD ARG 5 0.130 -1.924 -2.653
34 HE ARG 5 HE ARG 5 -2.006 -1.690 -3.732
35 HH11 ARG 5 1HH1 ARG 5 -5.146 -1.559 -2.465
36 HH12 ARG 5 2HH1 ARG 5 -4.042 -1.380 -3.900
37 HH21 ARG 5 1HH2 ARG 5 -4.395 -2.080 -0.555
38 HH22 ARG 5 2HH2 ARG 5 -2.594 -2.253 -0.317
39 H1 NAL 6 HD2 BNA 6 6.082 -2.861 1.155
40 H3 NAL 6 HD1 BNA 6 3.924 -4.298 -2.258
41 H4 NAL 6 HE1 BNA 6 3.134 -2.048 -2.763
42 H5 NAL 6 HZ2 BNA 6 3.043 0.374 -2.189
43 H6 NAL 6 HZ3 BNA 6 3.753 2.226 -0.753
44 H7 NAL 6 HE4 BNA 6 5.277 1.836 1.144
45 H8 NAL 6 HE3 BNA 6 6.105 -0.414 1.641
46 H91 NAL 6 1HB BNA 6 6.352 -5.175 0.441
47 H92 NAL 6 2HB BNA 6 5.814 -5.640 -1.117
48 HA NAL 6 HA BNA 6 4.371 -7.052 -0.266
49 H NAL 6 HN BNA 6 2.844 -4.644 0.742
50 H HIS 7 H HIS 7 4.940 -5.017 2.616
51 HA HIS 7 HA HIS 7 6.320 -6.901 4.196
52 HB2 HIS 7 1HB HIS 7 4.558 -5.327 5.996
53 HB3 HIS 7 2HB HIS 7 6.279 -5.432 5.907
54 HD1 HIS 7 HD1 HIS 7 3.491 -3.680 3.744
55 HD2 HIS 7 HD2 HIS 7 7.332 -3.029 5.511
56 HE1 HIS 7 HE1 HIS 7 4.324 -1.306 3.219
57 HA LE1 8 HA PEN 8 2.680 -9.501 5.271
58 HN LE1 8 HN PEN 8 2.805 -6.691 4.086
59 H9 LE1 8 1HG1 PEN 8 -0.654 -9.576 6.816
60 H9A LE1 8 2HG1 PEN 8 0.056 -10.420 5.429
61 H9B LE1 8 3HG1 PEN 8 0.989 -10.247 6.933
62 H8 LE1 8 1HG2 PEN 8 1.403 -6.468 6.690
63 H8A LE1 8 2HG2 PEN 8 0.195 -7.386 7.601
64 H8B LE1 8 3HG2 PEN 8 1.907 -7.887 7.631
65 HXT LE1 8 HO PEN 8 1.671 -10.599 2.244
Start of MODEL 2
1 H1 ACE 1 1H1 ACE 1 1.776 -4.041 7.219
2 H2 ACE 1 2H1 ACE 1 3.406 -3.608 6.635
3 H3 ACE 1 3H1 ACE 1 3.019 -3.521 8.371
4 H ARG 2 H ARG 2 3.095 -1.804 5.549
5 HA ARG 2 HA ARG 2 1.408 0.482 6.697
6 HB2 ARG 2 1HB ARG 2 3.114 1.806 6.541
7 HB3 ARG 2 2HB ARG 2 4.132 0.449 6.230
8 HG2 ARG 2 1HG ARG 2 3.637 0.983 3.638
9 HG3 ARG 2 2HG ARG 2 3.012 2.493 4.240
10 HD2 ARG 2 1HD ARG 2 5.851 1.463 4.094
11 HD3 ARG 2 2HD ARG 2 5.272 3.050 3.688
12 HE ARG 2 HE ARG 2 6.457 2.179 6.252
13 HH11 ARG 2 1HH1 ARG 2 5.494 4.776 8.193
14 HH12 ARG 2 2HH1 ARG 2 6.515 3.285 7.986
15 HH21 ARG 2 1HH2 ARG 2 4.175 5.430 6.640
16 HH22 ARG 2 2HH2 ARG 2 4.096 4.438 5.100
17 H ALA 3 H ALA 3 1.779 -1.173 3.609
18 HA ALA 3 HA ALA 3 -0.623 0.451 2.547
19 HB1 ALA 3 1HB ALA 3 1.574 0.748 1.310
20 HB2 ALA 3 2HB ALA 3 1.600 -0.996 0.943
21 HB3 ALA 3 3HB ALA 3 0.313 0.043 0.294
22 H DCY 4 HN CYS 4 -0.324 -2.525 3.932
23 HA DCY 4 HA CYS 4 -2.600 -3.838 2.743
24 HB2 DCY 4 2HB CYS 4 -0.387 -4.654 4.598
25 HB3 DCY 4 1HB CYS 4 -2.127 -4.846 4.751
26 H ARG 5 H ARG 5 0.774 -4.739 1.911
27 HA ARG 5 HA ARG 5 -0.115 -6.105 -0.617
28 HB2 ARG 5 1HB ARG 5 1.242 -3.342 -0.715
29 HB3 ARG 5 2HB ARG 5 1.519 -4.476 -2.004
30 HG2 ARG 5 1HG ARG 5 -0.498 -4.209 -3.006
31 HG3 ARG 5 2HG ARG 5 -1.401 -4.254 -1.525
32 HD2 ARG 5 1HD ARG 5 -0.642 -1.798 -1.050
33 HD3 ARG 5 2HD ARG 5 0.109 -1.801 -2.628
34 HE ARG 5 HE ARG 5 -2.048 -1.625 -3.690
35 HH11 ARG 5 1HH1 ARG 5 -5.175 -1.697 -2.380
36 HH12 ARG 5 2HH1 ARG 5 -4.102 -1.386 -3.818
37 HH21 ARG 5 1HH2 ARG 5 -4.380 -2.301 -0.518
38 HH22 ARG 5 2HH2 ARG 5 -2.571 -2.419 -0.314
39 H1 NAL 6 HD2 BNA 6 6.124 -2.914 1.151
40 H3 NAL 6 HD1 BNA 6 4.016 -4.331 -2.302
41 H4 NAL 6 HE1 BNA 6 3.206 -2.085 -2.787
42 H5 NAL 6 HZ2 BNA 6 3.074 0.325 -2.178
43 H6 NAL 6 HZ3 BNA 6 3.758 2.169 -0.720
44 H7 NAL 6 HE4 BNA 6 5.281 1.777 1.176
45 H8 NAL 6 HE3 BNA 6 6.130 -0.471 1.655
46 H91 NAL 6 1HB BNA 6 6.397 -5.230 0.430
47 H92 NAL 6 2HB BNA 6 5.879 -5.689 -1.138
48 HA NAL 6 HA BNA 6 4.401 -7.081 -0.317
49 H NAL 6 HN BNA 6 2.894 -4.662 0.701
50 H HIS 7 H HIS 7 5.066 -5.088 2.567
51 HA HIS 7 HA HIS 7 6.377 -7.097 4.086
52 HB2 HIS 7 1HB HIS 7 5.034 -5.430 6.057
53 HB3 HIS 7 2HB HIS 7 6.695 -5.521 5.615
54 HD1 HIS 7 HD1 HIS 7 3.665 -3.770 3.745
55 HD2 HIS 7 HD2 HIS 7 7.563 -3.076 5.369
56 HE1 HIS 7 HE1 HIS 7 4.384 -1.326 3.347
57 HA LE1 8 HA PEN 8 2.412 -9.209 5.288
58 HN LE1 8 HN PEN 8 2.971 -6.292 4.593
59 H9 LE1 8 1HG1 PEN 8 1.589 -8.799 7.779
60 H9A LE1 8 2HG1 PEN 8 -0.188 -8.707 7.717
61 H9B LE1 8 3HG1 PEN 8 0.668 -9.912 6.740
62 H8 LE1 8 1HG2 PEN 8 1.692 -6.374 7.313
63 H8A LE1 8 2HG2 PEN 8 1.002 -5.677 5.839
64 H8B LE1 8 3HG2 PEN 8 -0.077 -6.222 7.140
65 HXT LE1 8 HC PEN 8 1.362 -9.855 2.199
Start of MODEL 3
1 H1 ACE 1 1H1 ACE 1 3.241 -3.371 8.191
2 H2 ACE 1 2H1 ACE 1 1.735 -4.008 7.504
3 H3 ACE 1 3H1 ACE 1 3.120 -3.687 6.437
4 H ARG 2 H ARG 2 3.225 -1.666 5.626
5 HA ARG 2 HA ARG 2 1.416 0.542 6.712
6 HB2 ARG 2 1HB ARG 2 2.984 2.019 6.381
7 HB3 ARG 2 2HB ARG 2 4.075 0.677 6.325
8 HG2 ARG 2 1HG ARG 2 3.773 0.821 3.670
9 HG3 ARG 2 2HG ARG 2 2.982 2.348 3.981
10 HD2 ARG 2 1HD ARG 2 5.889 1.554 4.627
11 HD3 ARG 2 2HD ARG 2 5.397 2.704 3.419
12 HE ARG 2 HE ARG 2 5.742 3.211 6.344
13 HH11 ARG 2 1HH1 ARG 2 4.605 6.399 6.303
14 HH12 ARG 2 2HH1 ARG 2 5.464 5.068 7.195
15 HH21 ARG 2 1HH2 ARG 2 3.850 6.089 4.330
16 HH22 ARG 2 2HH2 ARG 2 4.081 4.444 3.558
17 H ALA 3 H ALA 3 1.760 -1.155 3.648
18 HA ALA 3 HA ALA 3 -0.653 0.439 2.562
19 HB1 ALA 3 1HB ALA 3 1.638 -0.947 0.999
20 HB2 ALA 3 2HB ALA 3 0.314 0.013 0.306
21 HB3 ALA 3 3HB ALA 3 1.518 0.799 1.331
22 H DCY 4 HN CYS 4 -0.327 -2.526 3.941
23 HA DCY 4 HA CYS 4 -2.587 -3.859 2.754
24 HB2 DCY 4 2HB CYS 4 -0.325 -4.676 4.569
25 HB3 DCY 4 1HB CYS 4 -2.066 -4.800 4.794
26 H ARG 5 H ARG 5 0.789 -4.761 1.917
27 HA ARG 5 HA ARG 5 -0.105 -6.138 -0.600
28 HB2 ARG 5 1HB ARG 5 1.237 -3.371 -0.723
29 HB3 ARG 5 2HB ARG 5 1.523 -4.512 -2.003
30 HG2 ARG 5 1HG ARG 5 -0.490 -4.262 -3.012
31 HG3 ARG 5 2HG ARG 5 -1.397 -4.311 -1.532
32 HD2 ARG 5 1HD ARG 5 -0.652 -1.843 -1.066
33 HD3 ARG 5 2HD ARG 5 0.090 -1.850 -2.648
34 HE ARG 5 HE ARG 5 -2.074 -1.691 -3.698
35 HH11 ARG 5 1HH1 ARG 5 -5.192 -1.782 -2.369
36 HH12 ARG 5 2HH1 ARG 5 -4.129 -1.464 -3.813
37 HH21 ARG 5 1HH2 ARG 5 -4.381 -2.385 -0.510
38 HH22 ARG 5 2HH2 ARG 5 -2.569 -2.496 -0.323
39 H1 NAL 6 HD2 BNA 6 6.115 -2.901 1.133
40 H3 NAL 6 HD1 BNA 6 4.015 -4.353 -2.312
41 H4 NAL 6 HE1 BNA 6 3.184 -2.116 -2.804
42 H5 NAL 6 HZ2 BNA 6 3.030 0.296 -2.205
43 H6 NAL 6 HZ3 BNA 6 3.702 2.153 -0.760
44 H7 NAL 6 HE4 BNA 6 5.236 1.784 1.132
45 H8 NAL 6 HE3 BNA 6 6.098 -0.456 1.627
46 H91 NAL 6 1HB BNA 6 6.402 -5.217 0.431
47 H92 NAL 6 2HB BNA 6 5.900 -5.686 -1.138
48 HA NAL 6 HA BNA 6 4.419 -7.085 -0.331
49 H NAL 6 HN BNA 6 2.903 -4.677 0.696
50 H HIS 7 H HIS 7 5.088 -5.103 2.558
51 HA HIS 7 HA HIS 7 6.377 -7.116 4.101
52 HB2 HIS 7 1HB HIS 7 4.995 -5.451 6.047
53 HB3 HIS 7 2HB HIS 7 6.663 -5.529 5.631
54 HD1 HIS 7 HD1 HIS 7 3.640 -3.807 3.726
55 HD2 HIS 7 HD2 HIS 7 7.523 -3.079 5.371
56 HE1 HIS 7 HE1 HIS 7 4.361 -1.380 3.279
57 HA LE1 8 HA PEN 8 2.394 -9.214 5.260
58 HN LE1 8 HN PEN 8 2.959 -6.314 4.498
59 H9 LE1 8 1HG1 PEN 8 -0.047 -8.615 7.829
60 H9A LE1 8 2HG1 PEN 8 0.546 -9.878 6.740
61 H9B LE1 8 3HG1 PEN 8 1.702 -8.900 7.675
62 H8 LE1 8 1HG2 PEN 8 0.009 -6.194 7.187
63 H8A LE1 8 2HG2 PEN 8 1.778 -6.385 7.308
64 H8B LE1 8 3HG2 PEN 8 1.064 -5.653 5.865
65 HXT LE1 8 HC PEN 8 1.305 -9.880 2.197
Start of MODEL 4
1 H1 ACE 1 1H1 ACE 1 1.917 -4.095 6.276
2 H2 ACE 1 2H1 ACE 1 3.425 -3.437 6.988
3 H3 ACE 1 3H1 ACE 1 2.044 -3.832 8.033
4 H ARG 2 H ARG 2 3.303 -1.613 5.729
5 HA ARG 2 HA ARG 2 1.444 0.552 6.680
6 HB2 ARG 2 1HB ARG 2 3.030 2.007 6.322
7 HB3 ARG 2 2HB ARG 2 4.107 0.656 6.192
8 HG2 ARG 2 1HG ARG 2 3.810 0.831 3.583
9 HG3 ARG 2 2HG ARG 2 2.863 2.260 3.861
10 HD2 ARG 2 1HD ARG 2 5.382 2.617 5.377
11 HD3 ARG 2 2HD ARG 2 5.811 1.878 3.870
12 HE ARG 2 HE ARG 2 5.316 3.925 2.707
13 HH11 ARG 2 1HH1 ARG 2 3.936 6.816 3.832
14 HH12 ARG 2 2HH1 ARG 2 4.828 5.937 2.512
15 HH21 ARG 2 1HH2 ARG 2 3.349 5.822 5.628
16 HH22 ARG 2 2HH2 ARG 2 3.768 4.045 5.797
17 H ALA 3 H ALA 3 1.904 -0.993 3.528
18 HA ALA 3 HA ALA 3 -0.534 0.534 2.434
19 HB1 ALA 3 1HB ALA 3 1.666 -1.015 0.899
20 HB2 ALA 3 2HB ALA 3 0.401 0.023 0.207
21 HB3 ALA 3 3HB ALA 3 1.674 0.742 1.196
22 H DCY 4 H CYS 4 -0.175 -2.455 3.881
23 HA DCY 4 HA CYS 4 -2.573 -3.610 2.767
24 HB2 DCY 4 3HB CYS 4 -1.392 -4.138 5.062
25 HB3 DCY 4 2HB CYS 4 -2.274 -5.406 4.223
26 H ARG 5 H ARG 5 0.749 -4.487 1.879
27 HA ARG 5 HA ARG 5 -0.181 -6.128 -0.523
28 HB2 ARG 5 1HB ARG 5 1.205 -3.379 -0.681
29 HB3 ARG 5 2HB ARG 5 1.419 -4.527 -1.969
30 HG2 ARG 5 1HG ARG 5 -0.668 -4.296 -2.867
31 HG3 ARG 5 2HG ARG 5 -1.481 -4.174 -1.331
32 HD2 ARG 5 1HD ARG 5 -0.619 -1.753 -1.073
33 HD3 ARG 5 2HD ARG 5 0.131 -1.894 -2.647
34 HE ARG 5 HE ARG 5 -2.007 -1.654 -3.723
35 HH11 ARG 5 1HH1 ARG 5 -5.146 -1.551 -2.451
36 HH12 ARG 5 2HH1 ARG 5 -4.045 -1.353 -3.886
37 HH21 ARG 5 1HH2 ARG 5 -4.391 -2.086 -0.546
38 HH22 ARG 5 2HH2 ARG 5 -2.589 -2.250 -0.313
39 H1 NAL 6 HD2 BNA 6 6.097 -2.896 1.139
40 H3 NAL 6 HD1 BNA 6 3.936 -4.329 -2.274
41 H4 NAL 6 HE1 BNA 6 3.161 -2.077 -2.786
42 H5 NAL 6 HZ2 BNA 6 3.082 0.346 -2.219
43 H6 NAL 6 HZ3 BNA 6 3.805 2.199 -0.792
44 H7 NAL 6 HE4 BNA 6 5.327 1.806 1.106
45 H8 NAL 6 HE3 BNA 6 6.140 -0.448 1.613
46 H91 NAL 6 1HB BNA 6 6.356 -5.216 0.425
47 H92 NAL 6 2HB BNA 6 5.803 -5.685 -1.126
48 HA NAL 6 HA BNA 6 4.356 -7.078 -0.252
49 H NAL 6 HN BNA 6 2.842 -4.651 0.738
50 H HIS 7 H HIS 7 4.931 -5.013 2.610
51 HA HIS 7 HA HIS 7 6.324 -6.881 4.193
52 HB2 HIS 7 1HB HIS 7 4.571 -5.300 5.995
53 HB3 HIS 7 2HB HIS 7 6.290 -5.409 5.902
54 HD1 HIS 7 HD1 HIS 7 3.505 -3.660 3.735
55 HD2 HIS 7 HD2 HIS 7 7.348 -3.010 5.501
56 HE1 HIS 7 HE1 HIS 7 4.344 -1.290 3.202
57 HA LE1 8 HA PEN 8 2.682 -9.476 5.284
58 HN LE1 8 HN PEN 8 2.807 -6.635 4.169
59 H9 LE1 8 1HG1 PEN 8 0.123 -10.440 5.415
60 H9A LE1 8 2HG1 PEN 8 0.969 -10.212 6.961
61 H9B LE1 8 3HG1 PEN 8 -0.685 -9.592 6.745
62 H8 LE1 8 1HG2 PEN 8 1.852 -7.846 7.635
63 H8A LE1 8 2HG2 PEN 8 1.326 -6.442 6.681
64 H8B LE1 8 3HG2 PEN 8 0.128 -7.388 7.577
65 HXT LE1 8 HO PEN 8 1.780 -10.518 2.202
Start of MODEL 5
1 H1 ACE 1 1H1 ACE 1 1.628 -4.061 7.456
2 H2 ACE 1 2H1 ACE 1 2.292 -4.133 5.806
3 H3 ACE 1 3H1 ACE 1 3.260 -3.429 7.135
4 H ARG 2 H ARG 2 3.426 -1.462 6.111
5 HA ARG 2 HA ARG 2 1.403 0.503 6.701
6 HB2 ARG 2 1HB ARG 2 2.949 2.070 6.351
7 HB3 ARG 2 2HB ARG 2 4.044 0.732 6.377
8 HG2 ARG 2 1HG ARG 2 3.805 0.817 3.670
9 HG3 ARG 2 2HG ARG 2 3.037 2.351 3.969
10 HD2 ARG 2 1HD ARG 2 5.286 2.961 3.553
11 HD3 ARG 2 2HD ARG 2 5.146 3.078 5.316
12 HE ARG 2 HE ARG 2 6.049 0.349 4.427
13 HH11 ARG 2 1HH1 ARG 2 9.292 0.768 5.190
14 HH12 ARG 2 2HH1 ARG 2 7.906 -0.329 4.720
15 HH21 ARG 2 1HH2 ARG 2 8.957 2.881 5.405
16 HH22 ARG 2 2HH2 ARG 2 7.275 3.537 5.102
17 H ALA 3 H ALA 3 1.728 -1.127 3.674
18 HA ALA 3 HA ALA 3 -0.669 0.451 2.541
19 HB1 ALA 3 1HB ALA 3 1.731 -0.806 1.027
20 HB2 ALA 3 2HB ALA 3 0.329 -0.027 0.264
21 HB3 ALA 3 3HB ALA 3 1.418 0.930 1.275
22 H DCY 4 H CYS 4 -0.340 -2.463 3.998
23 HA DCY 4 HA CYS 4 -2.531 -3.837 2.826
24 HB2 DCY 4 3HB CYS 4 -0.303 -4.652 4.663
25 HB3 DCY 4 2HB CYS 4 -2.043 -4.899 4.788
26 H ARG 5 H ARG 5 0.809 -4.730 1.922
27 HA ARG 5 HA ARG 5 -0.123 -6.126 -0.582
28 HB2 ARG 5 1HB ARG 5 1.196 -3.347 -0.683
29 HB3 ARG 5 2HB ARG 5 1.513 -4.470 -1.974
30 HG2 ARG 5 1HG ARG 5 -0.550 -4.335 -2.949
31 HG3 ARG 5 2HG ARG 5 -1.423 -4.244 -1.449
32 HD2 ARG 5 1HD ARG 5 -0.616 -1.782 -1.170
33 HD3 ARG 5 2HD ARG 5 0.111 -1.911 -2.756
34 HE ARG 5 HE ARG 5 -2.065 -1.815 -3.801
35 HH11 ARG 5 1HH1 ARG 5 -5.167 -1.725 -2.436
36 HH12 ARG 5 2HH1 ARG 5 -4.116 -1.574 -3.915
37 HH21 ARG 5 1HH2 ARG 5 -4.341 -2.147 -0.534
38 HH22 ARG 5 2HH2 ARG 5 -2.532 -2.285 -0.347
39 H1 NAL 6 HD2 BNA 6 6.116 -2.889 1.074
40 H3 NAL 6 HD1 BNA 6 3.995 -4.389 -2.335
41 H4 NAL 6 HE1 BNA 6 3.165 -2.159 -2.857
42 H5 NAL 6 HZ2 BNA 6 3.011 0.262 -2.287
43 H6 NAL 6 HZ3 BNA 6 3.680 2.136 -0.861
44 H7 NAL 6 HE4 BNA 6 5.219 1.791 1.030
45 H8 NAL 6 HE3 BNA 6 6.101 -0.437 1.535
46 H91 NAL 6 1HB BNA 6 6.390 -5.216 0.417
47 H92 NAL 6 2HB BNA 6 5.885 -5.709 -1.145
48 HA NAL 6 HA BNA 6 4.404 -7.095 -0.313
49 H NAL 6 HN BNA 6 2.895 -4.671 0.688
50 H HIS 7 H HIS 7 4.956 -5.069 2.573
51 HA HIS 7 HA HIS 7 6.339 -6.997 4.139
52 HB2 HIS 7 1HB HIS 7 4.748 -5.360 6.003
53 HB3 HIS 7 2HB HIS 7 6.451 -5.457 5.765
54 HD1 HIS 7 HD1 HIS 7 3.499 -3.734 3.778
55 HD2 HIS 7 HD2 HIS 7 7.466 -3.094 5.242
56 HE1 HIS 7 HE1 HIS 7 4.298 -1.384 3.147
57 HA LE1 8 HA PEN 8 2.503 -9.319 5.243
58 HN LE1 8 HN PEN 8 2.853 -6.409 4.428
59 H9 LE1 8 1HG1 PEN 8 -0.245 -9.162 7.526
60 H9A LE1 8 2HG1 PEN 8 0.565 -10.244 6.382
61 H9B LE1 8 3HG1 PEN 8 1.525 -9.339 7.575
62 H8 LE1 8 1HG2 PEN 8 -0.001 -6.707 7.412
63 H8A LE1 8 2HG2 PEN 8 1.781 -6.769 7.360
64 H8B LE1 8 3HG2 PEN 8 0.869 -5.926 6.088
65 HXT LE1 8 HO PEN 8 1.551 -10.119 2.170
Start of MODEL 6
1 H1 ACE 1 1H1 ACE 1 2.340 -4.198 5.785
2 H2 ACE 1 2H1 ACE 1 3.294 -3.489 7.123
3 H3 ACE 1 3H1 ACE 1 1.667 -4.133 7.435
4 H ARG 2 H ARG 2 3.451 -1.542 6.064
5 HA ARG 2 HA ARG 2 1.445 0.428 6.706
6 HB2 ARG 2 1HB ARG 2 3.025 1.962 6.391
7 HB3 ARG 2 2HB ARG 2 4.104 0.612 6.326
8 HG2 ARG 2 1HG ARG 2 3.728 0.789 3.654
9 HG3 ARG 2 2HG ARG 2 3.087 2.367 4.007
10 HD2 ARG 2 1HD ARG 2 5.923 1.348 4.735
11 HD3 ARG 2 2HD ARG 2 5.514 2.362 3.341
12 HE ARG 2 HE ARG 2 4.557 3.736 5.737
13 HH11 ARG 2 1HH1 ARG 2 7.342 5.592 6.338
14 HH12 ARG 2 2HH1 ARG 2 5.573 5.301 6.651
15 HH21 ARG 2 1HH2 ARG 2 8.447 4.331 5.023
16 HH22 ARG 2 2HH2 ARG 2 7.583 2.935 4.217
17 H ALA 3 H ALA 3 1.743 -1.164 3.644
18 HA ALA 3 HA ALA 3 -0.642 0.461 2.549
19 HB1 ALA 3 1HB ALA 3 1.608 -0.946 0.942
20 HB2 ALA 3 2HB ALA 3 0.291 0.052 0.285
21 HB3 ALA 3 3HB ALA 3 1.538 0.801 1.289
22 H DCY 4 H CYS 4 -0.332 -2.482 3.988
23 HA DCY 4 HA CYS 4 -2.545 -3.850 2.821
24 HB2 DCY 4 3HB CYS 4 -0.299 -4.655 4.645
25 HB3 DCY 4 2HB CYS 4 -2.037 -4.911 4.779
26 H ARG 5 H ARG 5 0.800 -4.737 1.917
27 HA ARG 5 HA ARG 5 -0.126 -6.118 -0.591
28 HB2 ARG 5 1HB ARG 5 1.219 -3.351 -0.701
29 HB3 ARG 5 2HB ARG 5 1.521 -4.483 -1.986
30 HG2 ARG 5 1HG ARG 5 -0.511 -4.289 -2.985
31 HG3 ARG 5 2HG ARG 5 -1.408 -4.263 -1.497
32 HD2 ARG 5 1HD ARG 5 -0.633 -1.799 -1.122
33 HD3 ARG 5 2HD ARG 5 0.119 -1.868 -2.700
34 HE ARG 5 HE ARG 5 -2.042 -1.764 -3.776
35 HH11 ARG 5 1HH1 ARG 5 -5.166 -1.773 -2.460
36 HH12 ARG 5 2HH1 ARG 5 -4.096 -1.561 -3.916
37 HH21 ARG 5 1HH2 ARG 5 -4.361 -2.234 -0.557
38 HH22 ARG 5 2HH2 ARG 5 -2.552 -2.343 -0.347
39 H1 NAL 6 HD2 BNA 6 6.104 -2.905 1.064
40 H3 NAL 6 HD1 BNA 6 4.003 -4.411 -2.355
41 H4 NAL 6 HE1 BNA 6 3.176 -2.182 -2.887
42 H5 NAL 6 HZ2 BNA 6 3.021 0.240 -2.326
43 H6 NAL 6 HZ3 BNA 6 3.695 2.120 -0.909
44 H7 NAL 6 HE4 BNA 6 5.230 1.782 0.983
45 H8 NAL 6 HE3 BNA 6 6.098 -0.451 1.511
46 H91 NAL 6 1HB BNA 6 6.392 -5.236 0.393
47 H92 NAL 6 2HB BNA 6 5.863 -5.737 -1.158
48 HA NAL 6 HA BNA 6 4.396 -7.113 -0.289
49 H NAL 6 HN BNA 6 2.890 -4.671 0.686
50 H HIS 7 H HIS 7 4.961 -5.030 2.561
51 HA HIS 7 HA HIS 7 6.326 -6.940 4.153
52 HB2 HIS 7 1HB HIS 7 4.740 -5.272 5.993
53 HB3 HIS 7 2HB HIS 7 6.444 -5.395 5.769
54 HD1 HIS 7 HD1 HIS 7 3.571 -3.659 3.676
55 HD2 HIS 7 HD2 HIS 7 7.417 -2.970 5.423
56 HE1 HIS 7 HE1 HIS 7 4.362 -1.277 3.166
57 HA LE1 8 HA PEN 8 2.524 -9.284 5.245
58 HN LE1 8 HN PEN 8 2.831 -6.383 4.387
59 H9 LE1 8 1HG1 PEN 8 0.545 -10.254 6.331
60 H9A LE1 8 2HG1 PEN 8 1.526 -9.387 7.535
61 H9B LE1 8 3HG1 PEN 8 -0.243 -9.193 7.510
62 H8 LE1 8 1HG2 PEN 8 -0.012 -6.753 7.443
63 H8A LE1 8 2HG2 PEN 8 1.770 -6.788 7.374
64 H8B LE1 8 3HG2 PEN 8 0.832 -5.935 6.125
65 HXT LE1 8 HO PEN 8 1.480 -10.146 2.215
Start of MODEL 7
1 H1 ACE 1 1H1 ACE 1 3.222 -3.388 8.232
2 H2 ACE 1 2H1 ACE 1 1.791 -3.967 7.361
3 H3 ACE 1 3H1 ACE 1 3.281 -3.604 6.462
4 H ARG 2 H ARG 2 3.251 -1.620 5.572
5 HA ARG 2 HA ARG 2 1.406 0.558 6.689
6 HB2 ARG 2 1HB ARG 2 2.802 2.197 6.126
7 HB3 ARG 2 2HB ARG 2 3.944 0.924 6.477
8 HG2 ARG 2 1HG ARG 2 4.054 0.539 3.876
9 HG3 ARG 2 2HG ARG 2 3.128 2.002 3.687
10 HD2 ARG 2 1HD ARG 2 5.802 1.973 5.286
11 HD3 ARG 2 2HD ARG 2 5.782 2.019 3.556
12 HE ARG 2 HE ARG 2 4.971 4.274 3.492
13 HH11 ARG 2 1HH1 ARG 2 4.652 6.475 6.043
14 HH12 ARG 2 2HH1 ARG 2 4.780 6.183 4.252
15 HH21 ARG 2 1HH2 ARG 2 4.706 4.858 7.430
16 HH22 ARG 2 2HH2 ARG 2 4.887 3.158 6.772
17 H ALA 3 H ALA 3 1.734 -1.203 3.668
18 HA ALA 3 HA ALA 3 -0.662 0.395 2.549
19 HB1 ALA 3 1HB ALA 3 1.652 -0.964 0.997
20 HB2 ALA 3 2HB ALA 3 0.344 0.022 0.311
21 HB3 ALA 3 3HB ALA 3 1.543 0.777 1.366
22 H DCY 4 H CYS 4 -0.428 -2.516 3.955
23 HA DCY 4 HA CYS 4 -2.637 -3.878 2.722
24 HB2 DCY 4 3HB CYS 4 -0.415 -4.676 4.602
25 HB3 DCY 4 2HB CYS 4 -2.160 -4.804 4.793
26 H ARG 5 H ARG 5 0.767 -4.695 1.949
27 HA ARG 5 HA ARG 5 -0.092 -6.051 -0.625
28 HB2 ARG 5 1HB ARG 5 1.277 -3.293 -0.557
29 HB3 ARG 5 2HB ARG 5 1.525 -4.364 -1.920
30 HG2 ARG 5 1HG ARG 5 -0.802 -4.379 -2.565
31 HG3 ARG 5 2HG ARG 5 -1.333 -3.606 -1.082
32 HD2 ARG 5 1HD ARG 5 -0.275 -1.492 -1.597
33 HD3 ARG 5 2HD ARG 5 0.602 -2.116 -2.975
34 HE ARG 5 HE ARG 5 -2.350 -1.432 -2.848
35 HH11 ARG 5 1HH1 ARG 5 -2.844 -2.033 -6.158
36 HH12 ARG 5 2HH1 ARG 5 -3.467 -1.329 -4.600
37 HH21 ARG 5 1HH2 ARG 5 -0.931 -2.973 -6.257
38 HH22 ARG 5 2HH2 ARG 5 0.063 -3.071 -4.724
39 H1 NAL 6 HD2 BNA 6 6.145 -2.908 1.138
40 H3 NAL 6 HD1 BNA 6 4.036 -4.347 -2.304
41 H4 NAL 6 HE1 BNA 6 3.227 -2.103 -2.803
42 H5 NAL 6 HZ2 BNA 6 3.077 0.309 -2.196
43 H6 NAL 6 HZ3 BNA 6 3.752 2.159 -0.743
44 H7 NAL 6 HE4 BNA 6 5.280 1.780 1.148
45 H8 NAL 6 HE3 BNA 6 6.139 -0.463 1.637
46 H91 NAL 6 1HB BNA 6 6.407 -5.225 0.452
47 H92 NAL 6 2HB BNA 6 5.915 -5.693 -1.120
48 HA NAL 6 HA BNA 6 4.406 -7.073 -0.337
49 H NAL 6 HN BNA 6 2.922 -4.667 0.749
50 H HIS 7 H HIS 7 5.126 -5.147 2.573
51 HA HIS 7 HA HIS 7 6.400 -7.189 4.086
52 HB2 HIS 7 1HB HIS 7 5.081 -5.527 6.066
53 HB3 HIS 7 2HB HIS 7 6.736 -5.594 5.599
54 HD1 HIS 7 HD1 HIS 7 3.687 -3.898 3.721
55 HD2 HIS 7 HD2 HIS 7 7.559 -3.124 5.369
56 HE1 HIS 7 HE1 HIS 7 4.414 -1.505 3.195
57 HA LE1 8 HA PEN 8 2.352 -9.223 5.201
58 HN LE1 8 HN PEN 8 3.027 -6.295 4.656
59 H9 LE1 8 1HG1 PEN 8 -0.022 -8.597 7.832
60 H9A LE1 8 2HG1 PEN 8 0.600 -9.858 6.758
61 H9B LE1 8 3HG1 PEN 8 1.734 -8.843 7.680
62 H8 LE1 8 1HG2 PEN 8 1.755 -6.335 7.288
63 H8A LE1 8 2HG2 PEN 8 1.045 -5.636 5.826
64 H8B LE1 8 3HG2 PEN 8 -0.015 -6.167 7.151
65 HXT LE1 8 HO PEN 8 1.421 -9.624 2.041
Start of MODEL 8
1 H1 ACE 1 1H1 ACE 1 2.008 -3.820 8.014
2 H2 ACE 1 2H1 ACE 1 1.869 -4.091 6.260
3 H3 ACE 1 3H1 ACE 1 3.387 -3.444 6.960
4 H ARG 2 H ARG 2 3.285 -1.610 5.716
5 HA ARG 2 HA ARG 2 1.412 0.553 6.654
6 HB2 ARG 2 1HB ARG 2 3.022 2.016 6.388
7 HB3 ARG 2 2HB ARG 2 4.065 0.654 6.327
8 HG2 ARG 2 1HG ARG 2 4.893 1.980 4.657
9 HG3 ARG 2 2HG ARG 2 3.981 0.852 3.691
10 HD2 ARG 2 1HD ARG 2 2.358 2.428 3.027
11 HD3 ARG 2 2HD ARG 2 2.433 3.329 4.544
12 HE ARG 2 HE ARG 2 4.999 3.686 3.182
13 HH11 ARG 2 1HH1 ARG 2 4.248 6.761 1.964
14 HH12 ARG 2 2HH1 ARG 2 5.518 5.543 2.421
15 HH21 ARG 2 1HH2 ARG 2 2.173 6.333 2.203
16 HH22 ARG 2 2HH2 ARG 2 1.689 4.702 2.877
17 H ALA 3 H ALA 3 1.866 -1.031 3.541
18 HA ALA 3 HA ALA 3 -0.549 0.535 2.433
19 HB1 ALA 3 1HB ALA 3 1.667 -0.974 0.881
20 HB2 ALA 3 2HB ALA 3 0.368 0.025 0.190
21 HB3 ALA 3 3HB ALA 3 1.629 0.785 1.166
22 H DCY 4 H CYS 4 -0.188 -2.431 3.893
23 HA DCY 4 HA CYS 4 -2.577 -3.597 2.778
24 HB2 DCY 4 3HB CYS 4 -1.427 -4.102 5.082
25 HB3 DCY 4 2HB CYS 4 -2.274 -5.394 4.241
26 H ARG 5 H ARG 5 0.745 -4.483 1.905
27 HA ARG 5 HA ARG 5 -0.182 -6.158 -0.477
28 HB2 ARG 5 1HB ARG 5 1.207 -3.410 -0.665
29 HB3 ARG 5 2HB ARG 5 1.416 -4.573 -1.942
30 HG2 ARG 5 1HG ARG 5 -0.673 -4.344 -2.839
31 HG3 ARG 5 2HG ARG 5 -1.482 -4.196 -1.303
32 HD2 ARG 5 1HD ARG 5 -0.607 -1.779 -1.078
33 HD3 ARG 5 2HD ARG 5 0.150 -1.945 -2.647
34 HE ARG 5 HE ARG 5 -1.980 -1.700 -3.736
35 HH11 ARG 5 1HH1 ARG 5 -5.124 -1.547 -2.482
36 HH12 ARG 5 2HH1 ARG 5 -4.012 -1.375 -3.913
37 HH21 ARG 5 1HH2 ARG 5 -4.385 -2.075 -0.569
38 HH22 ARG 5 2HH2 ARG 5 -2.586 -2.258 -0.323
39 H1 NAL 6 HD2 BNA 6 6.084 -2.874 1.158
40 H3 NAL 6 HD1 BNA 6 3.923 -4.304 -2.256
41 H4 NAL 6 HE1 BNA 6 3.138 -2.055 -2.760
42 H5 NAL 6 HZ2 BNA 6 3.054 0.368 -2.188
43 H6 NAL 6 HZ3 BNA 6 3.768 2.218 -0.751
44 H7 NAL 6 HE4 BNA 6 5.289 1.824 1.146
45 H8 NAL 6 HE3 BNA 6 6.113 -0.428 1.643
46 H91 NAL 6 1HB BNA 6 6.353 -5.189 0.438
47 H92 NAL 6 2HB BNA 6 5.805 -5.654 -1.117
48 HA NAL 6 HA BNA 6 4.363 -7.059 -0.256
49 H NAL 6 HN BNA 6 2.847 -4.637 0.716
50 H HIS 7 H HIS 7 4.952 -5.017 2.619
51 HA HIS 7 HA HIS 7 6.329 -6.901 4.203
52 HB2 HIS 7 1HB HIS 7 4.575 -5.328 6.009
53 HB3 HIS 7 2HB HIS 7 6.294 -5.428 5.909
54 HD1 HIS 7 HD1 HIS 7 3.498 -3.688 3.749
55 HD2 HIS 7 HD2 HIS 7 7.339 -3.025 5.512
56 HE1 HIS 7 HE1 HIS 7 4.326 -1.315 3.218
57 HA LE1 8 HA PEN 8 2.675 -9.490 5.242
58 HN LE1 8 HN PEN 8 2.809 -6.637 4.155
59 H9 LE1 8 1HG1 PEN 8 -0.690 -9.617 6.693
60 H9A LE1 8 2HG1 PEN 8 0.051 -10.421 5.298
61 H9B LE1 8 3HG1 PEN 8 0.951 -10.289 6.828
62 H8 LE1 8 1HG2 PEN 8 1.358 -6.502 6.698
63 H8A LE1 8 2HG2 PEN 8 0.135 -7.449 7.558
64 H8B LE1 8 3HG2 PEN 8 1.847 -7.945 7.611
65 HXT LE1 8 HO PEN 8 2.237 -10.324 2.006
Start of MODEL 9
1 H1 ACE 1 1H1 ACE 1 1.624 -4.000 7.262
2 H2 ACE 1 2H1 ACE 1 3.216 -3.603 6.572
3 H3 ACE 1 3H1 ACE 1 2.917 -3.410 8.320
4 H ARG 2 H ARG 2 3.278 -1.632 5.720
5 HA ARG 2 HA ARG 2 1.468 0.609 6.694
6 HB2 ARG 2 1HB ARG 2 3.141 2.002 6.394
7 HB3 ARG 2 2HB ARG 2 4.155 0.628 6.264
8 HG2 ARG 2 1HG ARG 2 4.917 1.728 4.408
9 HG3 ARG 2 2HG ARG 2 3.680 0.812 3.606
10 HD2 ARG 2 1HD ARG 2 2.394 3.274 4.609
11 HD3 ARG 2 2HD ARG 2 3.983 3.748 4.005
12 HE ARG 2 HE ARG 2 2.539 2.000 2.063
13 HH11 ARG 2 1HH1 ARG 2 1.257 4.530 0.193
14 HH12 ARG 2 2HH1 ARG 2 1.623 2.754 0.360
15 HH21 ARG 2 1HH2 ARG 2 1.788 5.912 1.721
16 HH22 ARG 2 2HH2 ARG 2 2.612 5.275 3.224
17 H ALA 3 H ALA 3 1.662 -1.282 3.767
18 HA ALA 3 HA ALA 3 -0.627 0.404 2.574
19 HB1 ALA 3 1HB ALA 3 0.955 -1.047 0.508
20 HB2 ALA 3 2HB ALA 3 0.538 0.663 0.633
21 HB3 ALA 3 3HB ALA 3 1.998 0.033 1.419
22 H DCY 4 HN CYS 4 -0.360 -2.575 3.945
23 HA DCY 4 HA CYS 4 -2.626 -3.873 2.722
24 HB2 DCY 4 2HB CYS 4 -0.424 -4.698 4.591
25 HB3 DCY 4 1HB CYS 4 -2.166 -4.888 4.728
26 H ARG 5 H ARG 5 0.754 -4.793 1.915
27 HA ARG 5 HA ARG 5 -0.106 -6.138 -0.619
28 HB2 ARG 5 1HB ARG 5 1.220 -3.363 -0.731
29 HB3 ARG 5 2HB ARG 5 1.524 -4.502 -2.008
30 HG2 ARG 5 1HG ARG 5 -0.474 -4.260 -3.040
31 HG3 ARG 5 2HG ARG 5 -1.401 -4.327 -1.574
32 HD2 ARG 5 1HD ARG 5 -0.692 -1.854 -1.082
33 HD3 ARG 5 2HD ARG 5 0.076 -1.843 -2.654
34 HE ARG 5 HE ARG 5 -2.078 -1.732 -3.741
35 HH11 ARG 5 1HH1 ARG 5 -5.206 -1.797 -2.433
36 HH12 ARG 5 2HH1 ARG 5 -4.133 -1.500 -3.873
37 HH21 ARG 5 1HH2 ARG 5 -4.408 -2.377 -0.560
38 HH22 ARG 5 2HH2 ARG 5 -2.598 -2.506 -0.361
39 H1 NAL 6 HD2 BNA 6 6.080 -2.855 1.176
40 H3 NAL 6 HD1 BNA 6 4.003 -4.303 -2.282
41 H4 NAL 6 HE1 BNA 6 3.195 -2.064 -2.792
42 H5 NAL 6 HZ2 BNA 6 3.093 0.360 -2.232
43 H6 NAL 6 HZ3 BNA 6 3.812 2.227 -0.817
44 H7 NAL 6 HE4 BNA 6 5.285 1.842 1.122
45 H8 NAL 6 HE3 BNA 6 6.077 -0.409 1.663
46 H91 NAL 6 1HB BNA 6 6.382 -5.165 0.468
47 H92 NAL 6 2HB BNA 6 5.894 -5.628 -1.105
48 HA NAL 6 HA BNA 6 4.424 -7.047 -0.319
49 H NAL 6 HN BNA 6 2.878 -4.664 0.723
50 H HIS 7 H HIS 7 5.077 -5.084 2.584
51 HA HIS 7 HA HIS 7 6.373 -7.094 4.117
52 HB2 HIS 7 1HB HIS 7 4.990 -5.456 6.077
53 HB3 HIS 7 2HB HIS 7 6.654 -5.505 5.643
54 HD1 HIS 7 HD1 HIS 7 3.597 -3.829 3.755
55 HD2 HIS 7 HD2 HIS 7 7.474 -3.041 5.383
56 HE1 HIS 7 HE1 HIS 7 4.296 -1.402 3.273
57 HA LE1 8 HA PEN 8 2.401 -9.230 5.259
58 HN LE1 8 HN PEN 8 2.952 -6.312 4.556
59 H9 LE1 8 1HG1 PEN 8 0.580 -9.923 6.708
60 H9A LE1 8 2HG1 PEN 8 1.635 -8.883 7.693
61 H9B LE1 8 3HG1 PEN 8 -0.132 -8.681 7.750
62 H8 LE1 8 1HG2 PEN 8 -0.074 -6.240 7.124
63 H8A LE1 8 2HG2 PEN 8 1.696 -6.397 7.287
64 H8B LE1 8 3HG2 PEN 8 1.003 -5.693 5.819
65 HXT LE1 8 HC PEN 8 1.389 -9.886 2.165
Start of MODEL 10
1 H1 ACE 1 1H1 ACE 1 2.126 -3.782 8.042
2 H2 ACE 1 2H1 ACE 1 1.941 -4.049 6.292
3 H3 ACE 1 3H1 ACE 1 3.472 -3.389 6.952
4 H ARG 2 H ARG 2 3.301 -1.561 5.687
5 HA ARG 2 HA ARG 2 1.417 0.588 6.666
6 HB2 ARG 2 1HB ARG 2 2.940 2.141 6.198
7 HB3 ARG 2 2HB ARG 2 4.025 0.792 6.308
8 HG2 ARG 2 1HG ARG 2 3.794 0.679 3.648
9 HG3 ARG 2 2HG ARG 2 3.018 2.217 3.754
10 HD2 ARG 2 1HD ARG 2 5.669 2.063 5.268
11 HD3 ARG 2 2HD ARG 2 5.797 1.665 3.560
12 HE ARG 2 HE ARG 2 4.229 4.172 3.957
13 HH11 ARG 2 1HH1 ARG 2 6.797 6.233 3.115
14 HH12 ARG 2 2HH1 ARG 2 5.013 6.014 3.387
15 HH21 ARG 2 1HH2 ARG 2 8.157 4.613 3.351
16 HH22 ARG 2 2HH2 ARG 2 7.498 2.982 3.850
17 H ALA 3 H ALA 3 1.881 -1.009 3.547
18 HA ALA 3 HA ALA 3 -0.547 0.511 2.410
19 HB1 ALA 3 1HB ALA 3 1.674 0.768 1.205
20 HB2 ALA 3 2HB ALA 3 1.709 -0.990 0.907
21 HB3 ALA 3 3HB ALA 3 0.432 0.022 0.196
22 H DCY 4 H CYS 4 -0.218 -2.422 3.894
23 HA DCY 4 HA CYS 4 -2.582 -3.609 2.754
24 HB2 DCY 4 3HB CYS 4 -1.488 -4.052 5.094
25 HB3 DCY 4 2HB CYS 4 -2.288 -5.385 4.270
26 H ARG 5 H ARG 5 0.737 -4.421 1.906
27 HA ARG 5 HA ARG 5 -0.178 -6.097 -0.502
28 HB2 ARG 5 1HB ARG 5 1.254 -3.364 -0.540
29 HB3 ARG 5 2HB ARG 5 1.386 -4.458 -1.898
30 HG2 ARG 5 1HG ARG 5 -0.943 -4.356 -2.462
31 HG3 ARG 5 2HG ARG 5 -1.409 -3.633 -0.932
32 HD2 ARG 5 1HD ARG 5 -0.285 -1.527 -1.408
33 HD3 ARG 5 2HD ARG 5 0.488 -2.122 -2.857
34 HE ARG 5 HE ARG 5 -2.436 -1.364 -2.510
35 HH11 ARG 5 1HH1 ARG 5 -3.101 -1.664 -5.831
36 HH12 ARG 5 2HH1 ARG 5 -3.627 -1.083 -4.189
37 HH21 ARG 5 1HH2 ARG 5 -1.223 -2.639 -6.104
38 HH22 ARG 5 2HH2 ARG 5 -0.159 -2.896 -4.637
39 H1 NAL 6 HD2 BNA 6 6.131 -2.912 1.136
40 H3 NAL 6 HD1 BNA 6 3.922 -4.318 -2.257
41 H4 NAL 6 HE1 BNA 6 3.165 -2.058 -2.759
42 H5 NAL 6 HZ2 BNA 6 3.111 0.365 -2.185
43 H6 NAL 6 HZ3 BNA 6 3.865 2.208 -0.763
44 H7 NAL 6 HE4 BNA 6 5.403 1.802 1.114
45 H8 NAL 6 HE3 BNA 6 6.200 -0.464 1.614
46 H91 NAL 6 1HB BNA 6 6.367 -5.230 0.411
47 H92 NAL 6 2HB BNA 6 5.799 -5.686 -1.139
48 HA NAL 6 HA BNA 6 4.358 -7.084 -0.261
49 H NAL 6 HN BNA 6 2.854 -4.669 0.794
50 H HIS 7 H HIS 7 4.958 -5.033 2.607
51 HA HIS 7 HA HIS 7 6.337 -6.921 4.191
52 HB2 HIS 7 1HB HIS 7 4.578 -5.330 5.984
53 HB3 HIS 7 2HB HIS 7 6.298 -5.457 5.910
54 HD1 HIS 7 HD1 HIS 7 3.537 -3.671 3.750
55 HD2 HIS 7 HD2 HIS 7 7.401 -3.076 5.488
56 HE1 HIS 7 HE1 HIS 7 4.417 -1.331 3.186
57 HA LE1 8 HA PEN 8 2.668 -9.493 5.227
58 HN LE1 8 HN PEN 8 2.820 -6.647 4.133
59 H9 LE1 8 1HG1 PEN 8 0.971 -10.289 6.826
60 H9A LE1 8 2HG1 PEN 8 -0.660 -9.581 6.768
61 H9B LE1 8 3HG1 PEN 8 0.009 -10.377 5.334
62 H8 LE1 8 1HG2 PEN 8 1.896 -7.960 7.633
63 H8A LE1 8 2HG2 PEN 8 1.434 -6.499 6.734
64 H8B LE1 8 3HG2 PEN 8 0.196 -7.419 7.602
65 HXT LE1 8 HO PEN 8 1.850 -10.437 2.098
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