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 |
|
|
611085 |
5tww   |
30203 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H ALA 1 HN ALA 1 3.998 -5.134 5.654
2 HA ALA 1 HA ALA 1 5.337 -4.966 8.275
3 HB1 ALA 1 HB1 ALA 1 4.901 -7.598 8.060
4 HB2 ALA 1 HB2 ALA 1 3.532 -6.999 7.124
5 HB3 ALA 1 HB3 ALA 1 3.749 -6.485 8.797
6 H ALA 2 HN ALA 2 5.441 -7.564 5.871
7 HA ALA 2 HA ALA 2 8.156 -8.054 6.132
8 HB1 ALA 2 HB1 ALA 2 6.232 -8.670 3.911
9 HB2 ALA 2 HB2 ALA 2 6.850 -9.746 5.164
10 HB3 ALA 2 HB3 ALA 2 7.915 -9.195 3.871
11 H ALA 3 HN ALA 3 7.194 -7.193 2.872
12 HA ALA 3 HA ALA 3 9.589 -5.664 2.509
13 HB1 ALA 3 HB1 ALA 3 7.374 -6.613 0.800
14 HB2 ALA 3 HB2 ALA 3 9.117 -6.656 0.530
15 HB3 ALA 3 HB3 ALA 3 8.219 -5.163 0.258
16 H1C1 UN1 4 HD1 GLU 4 2.555 -3.413 5.251
17 H1C2 UN1 4 HD2 GLU 4 2.656 -1.952 6.233
18 H4 UN1 4 HA GLU 4 6.127 -2.284 2.359
19 H5C1 UN1 4 HB1 GLU 4 4.601 -4.066 4.177
20 H5C2 UN1 4 HB2 GLU 4 4.043 -3.108 2.819
21 H6C1 UN1 4 HG1 GLU 4 3.483 -1.365 4.103
22 H6C2 UN1 4 HG2 GLU 4 4.896 -1.532 5.143
23 H4N1 UN1 4 HN GLU 4 6.233 -4.967 3.116
24 H ALA 5 HN ALA 5 6.733 -3.639 5.608
25 HA ALA 5 HA ALA 5 7.437 -1.118 6.730
26 HB1 ALA 5 HB1 ALA 5 8.359 -3.660 7.973
27 HB2 ALA 5 HB2 ALA 5 6.626 -3.352 7.859
28 HB3 ALA 5 HB3 ALA 5 7.668 -2.221 8.722
29 H ARG 6 HN ARG 6 9.237 -3.747 5.261
30 HA ARG 6 HA ARG 6 11.816 -2.956 6.091
31 HB2 ARG 6 HB2 ARG 6 10.697 -4.757 4.011
32 HB3 ARG 6 HB1 ARG 6 12.354 -4.215 3.782
33 HG2 ARG 6 HG2 ARG 6 11.593 -5.285 6.444
34 HG3 ARG 6 HG1 ARG 6 11.781 -6.420 5.106
35 HD2 ARG 6 HD2 ARG 6 13.880 -4.367 5.718
36 HD3 ARG 6 HD1 ARG 6 13.831 -5.906 6.575
37 HE ARG 6 HE ARG 6 13.754 -6.651 3.979
38 HH11 ARG 6 HH11 ARG 6 15.870 -4.546 5.788
39 HH12 ARG 6 HH12 ARG 6 17.249 -4.871 4.793
40 HH21 ARG 6 HH21 ARG 6 15.567 -7.080 2.670
41 HH22 ARG 6 HH22 ARG 6 17.078 -6.309 3.022
42 H ALA 7 HN ALA 7 10.238 -2.529 2.916
43 HA ALA 7 HA ALA 7 12.182 -0.842 1.826
44 HB1 ALA 7 HB1 ALA 7 10.839 -0.742 0.015
45 HB2 ALA 7 HB2 ALA 7 9.400 -0.376 0.968
46 HB3 ALA 7 HB3 ALA 7 9.979 -2.037 0.849
47 H ALA 8 HN ALA 8 9.496 -0.173 3.953
48 HA ALA 8 HA ALA 8 9.241 2.582 3.588
49 HB1 ALA 8 HB1 ALA 8 8.672 2.313 6.220
50 HB2 ALA 8 HB2 ALA 8 8.511 0.644 5.674
51 HB3 ALA 8 HB3 ALA 8 7.553 1.916 4.916
52 H ARG 9 HN ARG 9 11.259 0.803 5.924
53 HA ARG 9 HA ARG 9 12.473 3.138 6.995
54 HB2 ARG 9 HB2 ARG 9 12.347 1.009 8.229
55 HB3 ARG 9 HB1 ARG 9 13.438 0.273 7.063
56 HG2 ARG 9 HG2 ARG 9 15.222 1.751 7.733
57 HG3 ARG 9 HG1 ARG 9 14.135 2.615 8.822
58 HD2 ARG 9 HD2 ARG 9 14.865 -0.303 9.052
59 HD3 ARG 9 HD1 ARG 9 15.590 0.999 9.993
60 HE ARG 9 HE ARG 9 13.657 1.149 11.254
61 HH11 ARG 9 HH11 ARG 9 13.180 -1.067 8.594
62 HH12 ARG 9 HH12 ARG 9 11.706 -1.708 9.234
63 HH21 ARG 9 HH21 ARG 9 11.719 0.303 12.091
64 HH22 ARG 9 HH22 ARG 9 10.876 -0.932 11.216
65 H ALA 10 HN ALA 10 13.161 1.086 4.271
66 HA ALA 10 HA ALA 10 15.856 1.641 3.847
67 HB1 ALA 10 HB1 ALA 10 15.497 0.979 1.560
68 HB2 ALA 10 HB2 ALA 10 13.761 1.249 1.715
69 HB3 ALA 10 HB3 ALA 10 14.534 -0.055 2.616
70 H ALA 11 HN ALA 11 13.174 3.164 2.052
71 HA ALA 11 HA ALA 11 14.718 5.265 1.021
72 HB1 ALA 11 HB1 ALA 11 12.264 6.336 0.938
73 HB2 ALA 11 HB2 ALA 11 11.835 4.648 1.212
74 HB3 ALA 11 HB3 ALA 11 12.813 5.093 -0.187
75 H ARG 12 HN ARG 12 13.016 4.903 4.048
76 HA ARG 12 HA ARG 12 12.976 7.633 4.793
77 HB2 ARG 12 HB2 ARG 12 11.553 5.936 5.862
78 HB3 ARG 12 HB1 ARG 12 12.979 5.167 6.544
79 HG2 ARG 12 HG2 ARG 12 11.759 6.575 8.158
80 HG3 ARG 12 HG1 ARG 12 13.429 7.087 7.913
81 HD2 ARG 12 HD2 ARG 12 11.637 8.906 7.984
82 HD3 ARG 12 HD1 ARG 12 12.794 8.955 6.656
83 HE ARG 12 HE ARG 12 11.058 8.658 5.211
84 HH11 ARG 12 HH11 ARG 12 10.045 7.575 8.370
85 HH12 ARG 12 HH12 ARG 12 8.410 7.280 7.882
86 HH21 ARG 12 HH21 ARG 12 8.909 8.270 4.567
87 HH22 ARG 12 HH22 ARG 12 7.765 7.674 5.723
88 H ALA 13 HN ALA 13 15.381 5.109 5.042
89 HA ALA 13 HA ALA 13 17.104 6.740 6.729
90 HB1 ALA 13 HB1 ALA 13 18.144 4.235 5.564
91 HB2 ALA 13 HB2 ALA 13 16.756 4.079 6.641
92 HB3 ALA 13 HB3 ALA 13 18.236 4.846 7.216
93 HN1 NH2 14 H1 ALA 13 16.866 5.652 3.412
94 HN2 NH2 14 H2 ALA 13 18.189 6.580 2.801
Start of MODEL 2
1 H ALA 1 HN ALA 1 4.297 -5.270 6.184
2 HA ALA 1 HA ALA 1 5.287 -5.173 8.953
3 HB1 ALA 1 HB1 ALA 1 3.791 -7.325 7.595
4 HB2 ALA 1 HB2 ALA 1 3.883 -6.911 9.307
5 HB3 ALA 1 HB3 ALA 1 5.183 -7.832 8.551
6 H ALA 2 HN ALA 2 5.816 -7.571 6.406
7 HA ALA 2 HA ALA 2 8.683 -7.196 6.656
8 HB1 ALA 2 HB1 ALA 2 7.226 -9.425 6.333
9 HB2 ALA 2 HB2 ALA 2 8.910 -9.290 5.825
10 HB3 ALA 2 HB3 ALA 2 7.613 -9.080 4.647
11 H ALA 3 HN ALA 3 6.129 -6.756 4.282
12 HA ALA 3 HA ALA 3 7.950 -5.882 2.218
13 HB1 ALA 3 HB1 ALA 3 5.005 -5.438 2.058
14 HB2 ALA 3 HB2 ALA 3 5.635 -7.084 1.981
15 HB3 ALA 3 HB3 ALA 3 6.147 -5.887 0.791
16 H1C1 UN1 4 HD1 GLU 4 2.121 -3.744 6.129
17 H1C2 UN1 4 HD2 GLU 4 2.632 -2.191 6.789
18 H4 UN1 4 HA GLU 4 5.992 -1.787 3.564
19 H5C1 UN1 4 HB1 GLU 4 4.876 -1.085 5.536
20 H5C2 UN1 4 HB2 GLU 4 5.445 -2.476 6.445
21 H6C1 UN1 4 HG1 GLU 4 4.054 -3.828 4.693
22 H6C2 UN1 4 HG2 GLU 4 3.230 -2.287 4.461
23 H4N1 UN1 4 HN GLU 4 5.885 -4.436 4.641
24 H ALA 5 HN ALA 5 7.706 -3.514 6.144
25 HA ALA 5 HA ALA 5 9.291 -1.338 6.989
26 HB1 ALA 5 HB1 ALA 5 9.579 -4.313 7.261
27 HB2 ALA 5 HB2 ALA 5 9.129 -3.129 8.488
28 HB3 ALA 5 HB3 ALA 5 10.789 -3.198 7.897
29 H ARG 6 HN ARG 6 9.792 -3.851 4.556
30 HA ARG 6 HA ARG 6 12.475 -3.382 3.976
31 HB2 ARG 6 HB2 ARG 6 10.593 -5.094 3.039
32 HB3 ARG 6 HB1 ARG 6 10.733 -3.999 1.671
33 HG2 ARG 6 HG2 ARG 6 12.448 -5.249 1.018
34 HG3 ARG 6 HG1 ARG 6 13.356 -4.513 2.340
35 HD2 ARG 6 HD2 ARG 6 11.808 -6.606 3.446
36 HD3 ARG 6 HD1 ARG 6 12.575 -7.238 1.991
37 HE ARG 6 HE ARG 6 14.609 -7.106 3.038
38 HH11 ARG 6 HH11 ARG 6 12.261 -5.290 4.875
39 HH12 ARG 6 HH12 ARG 6 13.322 -5.039 6.220
40 HH21 ARG 6 HH21 ARG 6 16.006 -6.775 4.806
41 HH22 ARG 6 HH22 ARG 6 15.449 -5.881 6.181
42 H ALA 7 HN ALA 7 9.660 -2.136 2.168
43 HA ALA 7 HA ALA 7 11.164 -0.336 0.600
44 HB1 ALA 7 HB1 ALA 7 8.917 -1.197 0.005
45 HB2 ALA 7 HB2 ALA 7 9.052 0.557 -0.120
46 HB3 ALA 7 HB3 ALA 7 8.229 -0.167 1.261
47 H ALA 8 HN ALA 8 9.156 0.186 3.493
48 HA ALA 8 HA ALA 8 9.483 2.946 3.693
49 HB1 ALA 8 HB1 ALA 8 8.643 2.777 5.879
50 HB2 ALA 8 HB2 ALA 8 9.268 1.140 6.083
51 HB3 ALA 8 HB3 ALA 8 7.908 1.437 5.000
52 H ARG 9 HN ARG 9 11.554 0.323 4.802
53 HA ARG 9 HA ARG 9 13.278 1.809 6.431
54 HB2 ARG 9 HB2 ARG 9 13.275 -0.626 6.437
55 HB3 ARG 9 HB1 ARG 9 13.846 -0.654 4.775
56 HG2 ARG 9 HG2 ARG 9 15.983 -0.006 5.357
57 HG3 ARG 9 HG1 ARG 9 15.459 0.720 6.879
58 HD2 ARG 9 HD2 ARG 9 15.546 -2.229 6.247
59 HD3 ARG 9 HD1 ARG 9 16.681 -1.353 7.272
60 HE ARG 9 HE ARG 9 14.171 -0.902 8.333
61 HH11 ARG 9 HH11 ARG 9 16.222 -3.659 7.724
62 HH12 ARG 9 HH12 ARG 9 15.593 -4.578 9.049
63 HH21 ARG 9 HH21 ARG 9 13.341 -2.111 10.077
64 HH22 ARG 9 HH22 ARG 9 13.957 -3.700 10.384
65 H ALA 10 HN ALA 10 13.591 0.934 3.010
66 HA ALA 10 HA ALA 10 16.006 2.229 2.500
67 HB1 ALA 10 HB1 ALA 10 14.363 0.683 1.035
68 HB2 ALA 10 HB2 ALA 10 15.678 1.637 0.349
69 HB3 ALA 10 HB3 ALA 10 14.027 2.258 0.316
70 H ALA 11 HN ALA 11 12.803 3.511 2.875
71 HA ALA 11 HA ALA 11 13.395 6.042 1.629
72 HB1 ALA 11 HB1 ALA 11 11.049 4.795 2.927
73 HB2 ALA 11 HB2 ALA 11 11.164 5.709 1.423
74 HB3 ALA 11 HB3 ALA 11 11.139 6.556 2.969
75 H ARG 12 HN ARG 12 12.366 5.258 4.957
76 HA ARG 12 HA ARG 12 13.148 7.680 6.089
77 HB2 ARG 12 HB2 ARG 12 13.109 6.439 8.261
78 HB3 ARG 12 HB1 ARG 12 11.661 6.235 7.286
79 HG2 ARG 12 HG2 ARG 12 13.282 4.142 6.496
80 HG3 ARG 12 HG1 ARG 12 13.558 4.262 8.235
81 HD2 ARG 12 HD2 ARG 12 10.776 4.317 7.131
82 HD3 ARG 12 HD1 ARG 12 11.618 2.783 7.347
83 HE ARG 12 HE ARG 12 11.871 4.121 9.740
84 HH11 ARG 12 HH11 ARG 12 9.238 2.972 7.760
85 HH12 ARG 12 HH12 ARG 12 8.177 2.710 9.103
86 HH21 ARG 12 HH21 ARG 12 10.477 3.776 11.508
87 HH22 ARG 12 HH22 ARG 12 8.880 3.167 11.230
88 H ALA 13 HN ALA 13 14.979 4.744 5.505
89 HA ALA 13 HA ALA 13 17.268 5.607 7.012
90 HB1 ALA 13 HB1 ALA 13 18.342 3.611 6.212
91 HB2 ALA 13 HB2 ALA 13 17.099 3.389 4.980
92 HB3 ALA 13 HB3 ALA 13 16.690 3.218 6.687
93 HN1 NH2 14 H1 ALA 13 17.013 4.787 3.576
94 HN2 NH2 14 H2 ALA 13 18.063 6.038 3.012
Start of MODEL 3
1 H ALA 1 HN ALA 1 3.265 -5.435 7.418
2 HA ALA 1 HA ALA 1 4.555 -7.265 7.918
3 HB1 ALA 1 HB1 ALA 1 2.972 -7.993 6.011
4 HB2 ALA 1 HB2 ALA 1 4.339 -9.032 6.413
5 HB3 ALA 1 HB3 ALA 1 4.421 -7.971 5.006
6 H ALA 2 HN ALA 2 6.377 -8.647 6.052
7 HA ALA 2 HA ALA 2 8.750 -7.279 6.640
8 HB1 ALA 2 HB1 ALA 2 8.194 -9.781 5.842
9 HB2 ALA 2 HB2 ALA 2 9.808 -9.075 5.767
10 HB3 ALA 2 HB3 ALA 2 8.793 -9.110 4.325
11 H ALA 3 HN ALA 3 6.489 -6.851 4.085
12 HA ALA 3 HA ALA 3 8.282 -5.678 2.192
13 HB1 ALA 3 HB1 ALA 3 5.937 -4.793 1.324
14 HB2 ALA 3 HB2 ALA 3 5.352 -6.060 2.402
15 HB3 ALA 3 HB3 ALA 3 6.457 -6.462 1.087
16 H1C1 UN1 4 HD1 GLU 4 2.131 -4.024 5.286
17 H1C2 UN1 4 HD2 GLU 4 3.127 -3.311 6.548
18 H4 UN1 4 HA GLU 4 6.102 -1.550 3.404
19 H5C1 UN1 4 HB1 GLU 4 4.692 -0.973 5.204
20 H5C2 UN1 4 HB2 GLU 4 5.111 -2.418 6.109
21 H6C1 UN1 4 HG1 GLU 4 3.930 -3.228 3.652
22 H6C2 UN1 4 HG2 GLU 4 2.909 -1.990 4.385
23 H4N1 UN1 4 HN GLU 4 5.531 -4.181 3.865
24 H ALA 5 HN ALA 5 7.650 -3.696 5.672
25 HA ALA 5 HA ALA 5 8.965 -1.748 7.243
26 HB1 ALA 5 HB1 ALA 5 8.659 -4.128 7.888
27 HB2 ALA 5 HB2 ALA 5 10.317 -3.554 8.066
28 HB3 ALA 5 HB3 ALA 5 9.878 -4.567 6.691
29 H ARG 6 HN ARG 6 10.240 -3.822 4.629
30 HA ARG 6 HA ARG 6 12.736 -2.559 4.446
31 HB2 ARG 6 HB2 ARG 6 11.362 -4.654 3.115
32 HB3 ARG 6 HB1 ARG 6 11.952 -3.554 1.876
33 HG2 ARG 6 HG2 ARG 6 13.661 -4.745 4.050
34 HG3 ARG 6 HG1 ARG 6 13.519 -5.389 2.413
35 HD2 ARG 6 HD2 ARG 6 14.433 -3.370 1.482
36 HD3 ARG 6 HD1 ARG 6 14.425 -2.589 3.063
37 HE ARG 6 HE ARG 6 16.377 -4.442 2.050
38 HH11 ARG 6 HH11 ARG 6 14.951 -3.071 4.925
39 HH12 ARG 6 HH12 ARG 6 16.334 -3.393 5.916
40 HH21 ARG 6 HH21 ARG 6 18.197 -4.865 3.352
41 HH22 ARG 6 HH22 ARG 6 18.177 -4.411 5.023
42 H ALA 7 HN ALA 7 9.627 -1.738 3.106
43 HA ALA 7 HA ALA 7 10.565 0.075 1.123
44 HB1 ALA 7 HB1 ALA 7 8.193 0.892 1.145
45 HB2 ALA 7 HB2 ALA 7 7.882 -0.256 2.447
46 HB3 ALA 7 HB3 ALA 7 8.384 -0.838 0.860
47 H ALA 8 HN ALA 8 9.377 0.480 4.441
48 HA ALA 8 HA ALA 8 9.723 3.334 4.392
49 HB1 ALA 8 HB1 ALA 8 9.186 1.470 6.701
50 HB2 ALA 8 HB2 ALA 8 7.975 2.335 5.755
51 HB3 ALA 8 HB3 ALA 8 9.111 3.231 6.764
52 H ARG 9 HN ARG 9 11.567 0.565 5.506
53 HA ARG 9 HA ARG 9 13.451 1.997 7.056
54 HB2 ARG 9 HB2 ARG 9 13.015 -0.488 7.141
55 HB3 ARG 9 HB1 ARG 9 13.922 -0.626 5.641
56 HG2 ARG 9 HG2 ARG 9 15.480 -1.140 7.282
57 HG3 ARG 9 HG1 ARG 9 15.816 0.550 6.905
58 HD2 ARG 9 HD2 ARG 9 14.261 1.114 8.846
59 HD3 ARG 9 HD1 ARG 9 14.389 -0.587 9.292
60 HE ARG 9 HE ARG 9 16.440 -0.129 10.164
61 HH11 ARG 9 HH11 ARG 9 15.689 2.336 7.810
62 HH12 ARG 9 HH12 ARG 9 17.123 3.252 8.127
63 HH21 ARG 9 HH21 ARG 9 18.328 1.075 10.582
64 HH22 ARG 9 HH22 ARG 9 18.623 2.536 9.700
65 H ALA 10 HN ALA 10 13.450 0.908 3.695
66 HA ALA 10 HA ALA 10 16.060 1.944 3.137
67 HB1 ALA 10 HB1 ALA 10 15.287 1.549 0.717
68 HB2 ALA 10 HB2 ALA 10 13.857 0.819 1.445
69 HB3 ALA 10 HB3 ALA 10 15.455 0.151 1.778
70 H ALA 11 HN ALA 11 12.751 3.067 2.640
71 HA ALA 11 HA ALA 11 13.419 5.344 1.090
72 HB1 ALA 11 HB1 ALA 11 11.178 4.431 1.058
73 HB2 ALA 11 HB2 ALA 11 11.134 6.104 1.615
74 HB3 ALA 11 HB3 ALA 11 10.981 4.785 2.775
75 H ARG 12 HN ARG 12 12.455 5.068 4.516
76 HA ARG 12 HA ARG 12 12.959 7.749 5.176
77 HB2 ARG 12 HB2 ARG 12 11.598 6.261 6.573
78 HB3 ARG 12 HB1 ARG 12 13.024 5.307 6.959
79 HG2 ARG 12 HG2 ARG 12 13.834 6.846 8.420
80 HG3 ARG 12 HG1 ARG 12 13.120 8.208 7.556
81 HD2 ARG 12 HD2 ARG 12 11.598 8.235 9.191
82 HD3 ARG 12 HD1 ARG 12 10.915 6.813 8.406
83 HE ARG 12 HE ARG 12 12.382 6.900 10.887
84 HH11 ARG 12 HH11 ARG 12 11.306 4.890 8.242
85 HH12 ARG 12 HH12 ARG 12 11.428 3.420 9.147
86 HH21 ARG 12 HH21 ARG 12 12.541 4.966 12.076
87 HH22 ARG 12 HH22 ARG 12 12.128 3.462 11.322
88 H ALA 13 HN ALA 13 15.050 4.956 4.996
89 HA ALA 13 HA ALA 13 17.225 5.895 6.483
90 HB1 ALA 13 HB1 ALA 13 17.403 3.662 5.969
91 HB2 ALA 13 HB2 ALA 13 18.527 4.366 4.806
92 HB3 ALA 13 HB3 ALA 13 16.905 3.898 4.293
93 HN1 NH2 14 H1 ALA 13 17.383 5.603 2.971
94 HN2 NH2 14 H2 ALA 13 18.171 7.114 2.691
Start of MODEL 4
1 H ALA 1 HN ALA 1 3.875 -5.004 4.665
2 HA ALA 1 HA ALA 1 4.075 -6.672 7.083
3 HB1 ALA 1 HB1 ALA 1 4.325 -7.747 4.294
4 HB2 ALA 1 HB2 ALA 1 2.740 -7.475 5.019
5 HB3 ALA 1 HB3 ALA 1 3.876 -8.591 5.776
6 H ALA 2 HN ALA 2 5.987 -8.363 5.302
7 HA ALA 2 HA ALA 2 8.390 -7.456 6.371
8 HB1 ALA 2 HB1 ALA 2 7.789 -9.240 4.029
9 HB2 ALA 2 HB2 ALA 2 8.313 -9.693 5.651
10 HB3 ALA 2 HB3 ALA 2 9.437 -8.895 4.551
11 H ALA 3 HN ALA 3 6.637 -6.365 3.606
12 HA ALA 3 HA ALA 3 8.922 -5.026 2.421
13 HB1 ALA 3 HB1 ALA 3 7.452 -4.404 0.644
14 HB2 ALA 3 HB2 ALA 3 6.033 -4.843 1.594
15 HB3 ALA 3 HB3 ALA 3 7.143 -6.095 1.037
16 H1C1 UN1 4 HD1 GLU 4 1.793 -3.367 5.241
17 H1C2 UN1 4 HD2 GLU 4 2.403 -2.463 6.628
18 H4 UN1 4 HA GLU 4 5.973 -1.441 3.922
19 H5C1 UN1 4 HB1 GLU 4 4.990 -1.446 6.285
20 H5C2 UN1 4 HB2 GLU 4 5.214 -3.187 6.257
21 H6C1 UN1 4 HG1 GLU 4 3.848 -3.077 4.052
22 H6C2 UN1 4 HG2 GLU 4 3.343 -1.497 4.653
23 H4N1 UN1 4 HN GLU 4 5.975 -4.189 4.180
24 H ALA 5 HN ALA 5 7.874 -3.447 6.121
25 HA ALA 5 HA ALA 5 9.138 -1.145 7.341
26 HB1 ALA 5 HB1 ALA 5 9.030 -2.731 8.952
27 HB2 ALA 5 HB2 ALA 5 10.588 -3.197 8.270
28 HB3 ALA 5 HB3 ALA 5 9.125 -4.064 7.801
29 H ARG 6 HN ARG 6 10.031 -3.754 5.117
30 HA ARG 6 HA ARG 6 12.745 -3.199 4.861
31 HB2 ARG 6 HB2 ARG 6 11.898 -5.219 3.929
32 HB3 ARG 6 HB1 ARG 6 10.746 -4.355 2.921
33 HG2 ARG 6 HG2 ARG 6 12.616 -5.246 1.626
34 HG3 ARG 6 HG1 ARG 6 12.549 -3.484 1.556
35 HD2 ARG 6 HD2 ARG 6 14.168 -3.928 3.722
36 HD3 ARG 6 HD1 ARG 6 14.611 -5.250 2.643
37 HE ARG 6 HE ARG 6 15.322 -2.537 2.346
38 HH11 ARG 6 HH11 ARG 6 14.292 -5.293 0.468
39 HH12 ARG 6 HH12 ARG 6 15.082 -4.761 -0.978
40 HH21 ARG 6 HH21 ARG 6 16.362 -1.835 0.444
41 HH22 ARG 6 HH22 ARG 6 16.259 -2.799 -0.991
42 H ALA 7 HN ALA 7 9.993 -1.881 3.050
43 HA ALA 7 HA ALA 7 11.681 -0.151 1.477
44 HB1 ALA 7 HB1 ALA 7 9.741 0.489 0.333
45 HB2 ALA 7 HB2 ALA 7 8.694 0.052 1.683
46 HB3 ALA 7 HB3 ALA 7 9.480 -1.208 0.733
47 H ALA 8 HN ALA 8 9.863 0.059 4.431
48 HA ALA 8 HA ALA 8 9.576 2.861 4.568
49 HB1 ALA 8 HB1 ALA 8 9.468 2.360 7.101
50 HB2 ALA 8 HB2 ALA 8 9.542 0.669 6.605
51 HB3 ALA 8 HB3 ALA 8 8.221 1.695 6.046
52 H ARG 9 HN ARG 9 11.935 0.752 6.226
53 HA ARG 9 HA ARG 9 13.524 2.944 7.107
54 HB2 ARG 9 HB2 ARG 9 15.142 1.215 7.795
55 HB3 ARG 9 HB1 ARG 9 13.510 0.857 8.344
56 HG2 ARG 9 HG2 ARG 9 13.587 -1.121 7.361
57 HG3 ARG 9 HG1 ARG 9 13.892 -0.359 5.799
58 HD2 ARG 9 HD2 ARG 9 16.182 -0.542 7.662
59 HD3 ARG 9 HD1 ARG 9 15.606 -2.056 6.966
60 HE ARG 9 HE ARG 9 15.824 -0.439 4.813
61 HH11 ARG 9 HH11 ARG 9 18.022 -1.277 7.391
62 HH12 ARG 9 HH12 ARG 9 19.438 -1.090 6.412
63 HH21 ARG 9 HH21 ARG 9 17.686 -0.193 3.524
64 HH22 ARG 9 HH22 ARG 9 19.248 -0.475 4.217
65 H ALA 10 HN ALA 10 13.552 0.880 4.288
66 HA ALA 10 HA ALA 10 16.176 1.596 3.417
67 HB1 ALA 10 HB1 ALA 10 13.891 0.441 1.823
68 HB2 ALA 10 HB2 ALA 10 15.085 -0.491 2.726
69 HB3 ALA 10 HB3 ALA 10 15.588 0.480 1.343
70 H ALA 11 HN ALA 11 12.908 2.700 2.608
71 HA ALA 11 HA ALA 11 13.903 4.644 0.713
72 HB1 ALA 11 HB1 ALA 11 11.721 3.400 0.475
73 HB2 ALA 11 HB2 ALA 11 11.640 5.147 0.247
74 HB3 ALA 11 HB3 ALA 11 11.093 4.429 1.762
75 H ARG 12 HN ARG 12 12.043 4.843 3.756
76 HA ARG 12 HA ARG 12 12.264 7.632 4.019
77 HB2 ARG 12 HB2 ARG 12 11.975 5.711 6.320
78 HB3 ARG 12 HB1 ARG 12 11.388 7.365 6.213
79 HG2 ARG 12 HG2 ARG 12 10.298 5.723 4.100
80 HG3 ARG 12 HG1 ARG 12 9.959 5.045 5.693
81 HD2 ARG 12 HD2 ARG 12 8.616 6.770 6.291
82 HD3 ARG 12 HD1 ARG 12 9.559 7.957 5.390
83 HE ARG 12 HE ARG 12 8.082 7.712 3.679
84 HH11 ARG 12 HH11 ARG 12 7.980 4.808 5.613
85 HH12 ARG 12 HH12 ARG 12 6.705 4.088 4.689
86 HH21 ARG 12 HH21 ARG 12 6.406 6.766 2.462
87 HH22 ARG 12 HH22 ARG 12 5.811 5.199 2.900
88 H ALA 13 HN ALA 13 14.097 5.025 5.574
89 HA ALA 13 HA ALA 13 16.004 6.948 6.637
90 HB1 ALA 13 HB1 ALA 13 15.041 4.549 7.580
91 HB2 ALA 13 HB2 ALA 13 16.440 5.422 8.207
92 HB3 ALA 13 HB3 ALA 13 16.662 4.137 7.019
93 HN1 NH2 14 H1 ALA 13 15.766 4.538 4.134
94 HN2 NH2 14 H2 ALA 13 17.340 4.780 3.462
Start of MODEL 5
1 H ALA 1 HN ALA 1 3.377 -5.260 7.707
2 HA ALA 1 HA ALA 1 4.537 -7.224 7.942
3 HB1 ALA 1 HB1 ALA 1 2.763 -7.728 6.204
4 HB2 ALA 1 HB2 ALA 1 4.152 -8.815 6.231
5 HB3 ALA 1 HB3 ALA 1 4.034 -7.565 4.993
6 H ALA 2 HN ALA 2 6.087 -8.566 5.815
7 HA ALA 2 HA ALA 2 8.609 -7.458 6.329
8 HB1 ALA 2 HB1 ALA 2 8.446 -9.763 5.752
9 HB2 ALA 2 HB2 ALA 2 9.388 -8.971 4.490
10 HB3 ALA 2 HB3 ALA 2 7.697 -9.384 4.201
11 H ALA 3 HN ALA 3 6.216 -6.621 4.003
12 HA ALA 3 HA ALA 3 7.961 -5.417 2.087
13 HB1 ALA 3 HB1 ALA 3 6.017 -5.922 1.044
14 HB2 ALA 3 HB2 ALA 3 5.624 -4.269 1.516
15 HB3 ALA 3 HB3 ALA 3 5.041 -5.624 2.482
16 H1C1 UN1 4 HD1 GLU 4 2.217 -3.572 5.807
17 H1C2 UN1 4 HD2 GLU 4 3.366 -3.056 7.035
18 H4 UN1 4 HA GLU 4 6.221 -1.256 3.806
19 H5C1 UN1 4 HB1 GLU 4 5.014 -0.739 5.766
20 H5C2 UN1 4 HB2 GLU 4 5.380 -2.290 6.504
21 H6C1 UN1 4 HG1 GLU 4 3.946 -2.779 4.099
22 H6C2 UN1 4 HG2 GLU 4 3.094 -1.535 5.015
23 H4N1 UN1 4 HN GLU 4 5.473 -3.864 4.087
24 H ALA 5 HN ALA 5 7.760 -3.698 5.766
25 HA ALA 5 HA ALA 5 9.347 -1.990 7.364
26 HB1 ALA 5 HB1 ALA 5 10.830 -4.205 7.334
27 HB2 ALA 5 HB2 ALA 5 9.327 -4.875 6.700
28 HB3 ALA 5 HB3 ALA 5 9.340 -4.071 8.269
29 H ARG 6 HN ARG 6 10.424 -4.060 4.659
30 HA ARG 6 HA ARG 6 12.913 -2.827 4.344
31 HB2 ARG 6 HB2 ARG 6 11.202 -4.417 2.439
32 HB3 ARG 6 HB1 ARG 6 12.801 -3.832 2.000
33 HG2 ARG 6 HG2 ARG 6 13.728 -5.587 2.973
34 HG3 ARG 6 HG1 ARG 6 12.998 -5.138 4.515
35 HD2 ARG 6 HD2 ARG 6 11.443 -6.740 4.366
36 HD3 ARG 6 HD1 ARG 6 11.110 -6.379 2.673
37 HE ARG 6 HE ARG 6 12.559 -8.048 2.055
38 HH11 ARG 6 HH11 ARG 6 12.966 -7.377 5.457
39 HH12 ARG 6 HH12 ARG 6 13.983 -8.750 5.732
40 HH21 ARG 6 HH21 ARG 6 13.898 -9.852 2.417
41 HH22 ARG 6 HH22 ARG 6 14.514 -10.155 4.007
42 H ALA 7 HN ALA 7 9.768 -2.051 2.994
43 HA ALA 7 HA ALA 7 10.716 -0.164 1.081
44 HB1 ALA 7 HB1 ALA 7 8.454 -1.393 1.151
45 HB2 ALA 7 HB2 ALA 7 8.482 0.286 0.611
46 HB3 ALA 7 HB3 ALA 7 7.958 -0.104 2.249
47 H ALA 8 HN ALA 8 9.514 0.070 4.396
48 HA ALA 8 HA ALA 8 9.567 2.929 4.464
49 HB1 ALA 8 HB1 ALA 8 9.127 2.684 6.846
50 HB2 ALA 8 HB2 ALA 8 9.474 0.957 6.744
51 HB3 ALA 8 HB3 ALA 8 8.075 1.627 5.904
52 H ARG 9 HN ARG 9 11.770 0.361 5.458
53 HA ARG 9 HA ARG 9 13.596 1.860 6.926
54 HB2 ARG 9 HB2 ARG 9 13.467 -0.691 6.535
55 HB3 ARG 9 HB1 ARG 9 14.453 -0.376 5.114
56 HG2 ARG 9 HG2 ARG 9 15.517 0.893 7.498
57 HG3 ARG 9 HG1 ARG 9 15.364 -0.856 7.671
58 HD2 ARG 9 HD2 ARG 9 16.423 -0.313 5.090
59 HD3 ARG 9 HD1 ARG 9 17.340 0.628 6.265
60 HE ARG 9 HE ARG 9 18.226 -1.317 7.089
61 HH11 ARG 9 HH11 ARG 9 15.488 -2.085 5.066
62 HH12 ARG 9 HH12 ARG 9 15.789 -3.790 5.090
63 HH21 ARG 9 HH21 ARG 9 18.623 -3.559 7.123
64 HH22 ARG 9 HH22 ARG 9 17.569 -4.628 6.259
65 H ALA 10 HN ALA 10 14.042 0.819 3.562
66 HA ALA 10 HA ALA 10 16.173 2.585 3.039
67 HB1 ALA 10 HB1 ALA 10 15.273 2.090 0.566
68 HB2 ALA 10 HB2 ALA 10 14.453 0.794 1.437
69 HB3 ALA 10 HB3 ALA 10 16.211 0.925 1.501
70 H ALA 11 HN ALA 11 12.749 3.037 3.040
71 HA ALA 11 HA ALA 11 12.461 5.147 1.241
72 HB1 ALA 11 HB1 ALA 11 10.584 5.776 3.035
73 HB2 ALA 11 HB2 ALA 11 10.938 4.130 3.560
74 HB3 ALA 11 HB3 ALA 11 10.417 4.434 1.903
75 H ARG 12 HN ARG 12 12.603 5.480 4.795
76 HA ARG 12 HA ARG 12 13.389 8.252 4.516
77 HB2 ARG 12 HB2 ARG 12 12.408 6.517 6.695
78 HB3 ARG 12 HB1 ARG 12 13.526 7.782 7.184
79 HG2 ARG 12 HG2 ARG 12 11.294 8.564 5.404
80 HG3 ARG 12 HG1 ARG 12 10.901 8.154 7.076
81 HD2 ARG 12 HD2 ARG 12 13.232 9.899 6.802
82 HD3 ARG 12 HD1 ARG 12 11.738 10.608 6.190
83 HE ARG 12 HE ARG 12 12.409 10.072 8.932
84 HH11 ARG 12 HH11 ARG 12 9.792 10.516 6.666
85 HH12 ARG 12 HH12 ARG 12 8.662 11.018 7.878
86 HH21 ARG 12 HH21 ARG 12 10.924 10.733 10.527
87 HH22 ARG 12 HH22 ARG 12 9.304 11.141 10.070
88 H ALA 13 HN ALA 13 14.768 5.264 5.806
89 HA ALA 13 HA ALA 13 17.222 6.423 6.634
90 HB1 ALA 13 HB1 ALA 13 17.783 4.347 7.352
91 HB2 ALA 13 HB2 ALA 13 17.168 3.556 5.900
92 HB3 ALA 13 HB3 ALA 13 16.050 4.083 7.158
93 HN1 NH2 14 H1 ALA 13 16.082 5.084 3.628
94 HN2 NH2 14 H2 ALA 13 17.526 5.355 2.720
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