NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
10300 |
1pis   |
cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name
Start of MODEL 1
Raw file had 17 H/Q atoms
Start of MODEL 1
1 CH2 TRP 3 CH2 TRP 3 8.696 5.254 11.160
2 NH1 ARG 6 NH2 ARG 6 -1.450 4.054 12.417
3 NH2 ARG 6 NH1 ARG 6 0.120 5.403 13.356
4 OH TYR 25 OH TYR 25 -8.709 1.043 0.623
5 OH TYR 28 OH TYR 28 -6.008 -9.821 -6.865
6 NH1 ARG 43 NH2 ARG 43 -3.054 -5.560 -10.015
7 NH2 ARG 43 NH1 ARG 43 -3.658 -7.623 -10.752
8 OH TYR 52 OH TYR 52 5.914 -0.736 3.242
9 NH1 ARG 53 NH2 ARG 53 5.159 -14.664 0.032
10 NH2 ARG 53 NH1 ARG 53 6.308 -15.386 -1.793
11 OH TYR 69 OH TYR 69 5.721 -6.901 5.988
12 OH TYR 73 OH TYR 73 7.635 2.273 2.525
13 OH TYR 75 OH TYR 75 2.999 12.744 3.105
14 NH1 ARG 100 NH2 ARG 100 6.392 3.476 -8.400
15 NH2 ARG 100 NH1 ARG 100 6.024 4.704 -10.272
16 OH TYR 111 OH TYR 111 -15.069 4.096 3.512
17 OH TYR 123 OH TYR 123 -22.281 -8.466 -0.697
Start of MODEL 2
Raw file had 17 H/Q atoms
Start of MODEL 2
1 CH2 TRP 3 CH2 TRP 3 8.920 5.778 11.060
2 NH1 ARG 6 NH2 ARG 6 -0.892 4.313 12.451
3 NH2 ARG 6 NH1 ARG 6 0.861 5.592 13.126
4 OH TYR 25 OH TYR 25 -8.262 1.532 0.648
5 OH TYR 28 OH TYR 28 -6.320 -10.264 -7.066
6 NH1 ARG 43 NH2 ARG 43 -7.040 -4.391 -11.824
7 NH2 ARG 43 NH1 ARG 43 -5.674 -6.099 -12.445
8 OH TYR 52 OH TYR 52 4.064 -0.353 2.628
9 NH1 ARG 53 NH2 ARG 53 4.207 -14.023 0.997
10 NH2 ARG 53 NH1 ARG 53 5.105 -12.444 2.359
11 OH TYR 69 OH TYR 69 6.269 -6.019 3.971
12 OH TYR 73 OH TYR 73 7.726 2.270 2.333
13 OH TYR 75 OH TYR 75 2.985 12.871 3.029
14 NH1 ARG 100 NH2 ARG 100 5.003 7.721 -8.787
15 NH2 ARG 100 NH1 ARG 100 5.468 6.151 -10.363
16 OH TYR 111 OH TYR 111 -15.029 3.888 3.716
17 OH TYR 123 OH TYR 123 -21.793 -9.465 -0.634
Start of MODEL 3
Raw file had 17 H/Q atoms
Start of MODEL 3
1 CH2 TRP 3 CH2 TRP 3 8.646 6.386 11.311
2 NH1 ARG 6 NH2 ARG 6 -0.940 3.996 12.110
3 NH2 ARG 6 NH1 ARG 6 0.852 5.197 12.818
4 OH TYR 25 OH TYR 25 -8.797 1.116 0.613
5 OH TYR 28 OH TYR 28 -6.074 -9.806 -6.909
6 NH1 ARG 43 NH2 ARG 43 -5.655 -1.938 -8.956
7 NH2 ARG 43 NH1 ARG 43 -6.688 -1.790 -10.971
8 OH TYR 52 OH TYR 52 4.256 -0.859 2.829
9 NH1 ARG 53 NH2 ARG 53 3.520 -14.543 -2.805
10 NH2 ARG 53 NH1 ARG 53 5.545 -15.572 -2.910
11 OH TYR 69 OH TYR 69 7.197 -6.472 3.589
12 OH TYR 73 OH TYR 73 7.391 2.288 2.600
13 OH TYR 75 OH TYR 75 2.983 12.406 2.957
14 NH1 ARG 100 NH2 ARG 100 8.748 6.616 -8.034
15 NH2 ARG 100 NH1 ARG 100 7.935 5.231 -9.642
16 OH TYR 111 OH TYR 111 -15.110 4.016 3.778
17 OH TYR 123 OH TYR 123 -22.405 -8.967 -0.214
Start of MODEL 4
Raw file had 17 H/Q atoms
Start of MODEL 4
1 CH2 TRP 3 CH2 TRP 3 8.641 6.127 11.107
2 NH1 ARG 6 NH2 ARG 6 -1.242 4.646 12.198
3 NH2 ARG 6 NH1 ARG 6 0.489 5.901 12.967
4 OH TYR 25 OH TYR 25 -9.171 1.240 0.662
5 OH TYR 28 OH TYR 28 -5.782 -9.746 -7.033
6 NH1 ARG 43 NH2 ARG 43 -3.043 -5.287 -10.188
7 NH2 ARG 43 NH1 ARG 43 -3.541 -7.387 -10.900
8 OH TYR 52 OH TYR 52 5.885 -0.052 3.075
9 NH1 ARG 53 NH2 ARG 53 4.001 -14.521 -0.348
10 NH2 ARG 53 NH1 ARG 53 5.463 -15.223 -1.941
11 OH TYR 69 OH TYR 69 6.381 -6.374 5.664
12 OH TYR 73 OH TYR 73 7.266 2.407 2.664
13 OH TYR 75 OH TYR 75 3.440 13.175 2.921
14 NH1 ARG 100 NH2 ARG 100 5.043 7.915 -8.977
15 NH2 ARG 100 NH1 ARG 100 5.496 6.407 -10.616
16 OH TYR 111 OH TYR 111 -14.872 3.226 3.316
17 OH TYR 123 OH TYR 123 -21.991 -9.109 -0.411
Start of MODEL 5
Raw file had 17 H/Q atoms
Start of MODEL 5
1 CH2 TRP 3 CH2 TRP 3 8.712 6.031 11.347
2 NH1 ARG 6 NH2 ARG 6 -0.367 2.044 10.936
3 NH2 ARG 6 NH1 ARG 6 -1.616 0.667 9.625
4 OH TYR 25 OH TYR 25 -8.642 1.129 0.804
5 OH TYR 28 OH TYR 28 -5.921 -9.563 -7.194
6 NH1 ARG 43 NH2 ARG 43 -3.259 -5.134 -10.346
7 NH2 ARG 43 NH1 ARG 43 -3.838 -7.173 -11.168
8 OH TYR 52 OH TYR 52 6.366 -0.481 3.167
9 NH1 ARG 53 NH2 ARG 53 5.199 -15.234 -1.219
10 NH2 ARG 53 NH1 ARG 53 2.954 -15.136 -0.900
11 OH TYR 69 OH TYR 69 5.713 -6.618 6.074
12 OH TYR 73 OH TYR 73 7.747 2.584 2.549
13 OH TYR 75 OH TYR 75 3.084 12.974 2.955
14 NH1 ARG 100 NH2 ARG 100 8.222 6.581 -8.899
15 NH2 ARG 100 NH1 ARG 100 6.932 5.517 -10.440
16 OH TYR 111 OH TYR 111 -15.178 3.804 3.739
17 OH TYR 123 OH TYR 123 -21.971 -8.745 -0.579
Start of MODEL 6
Raw file had 17 H/Q atoms
Start of MODEL 6
1 CH2 TRP 3 CH2 TRP 3 8.824 6.773 10.919
2 NH1 ARG 6 NH2 ARG 6 -0.896 5.184 12.233
3 NH2 ARG 6 NH1 ARG 6 0.916 6.469 12.703
4 OH TYR 25 OH TYR 25 -8.691 1.253 0.821
5 OH TYR 28 OH TYR 28 -5.637 -9.673 -7.157
6 NH1 ARG 43 NH2 ARG 43 -3.616 -4.650 -11.092
7 NH2 ARG 43 NH1 ARG 43 -3.914 -6.844 -11.611
8 OH TYR 52 OH TYR 52 4.771 -0.456 3.059
9 NH1 ARG 53 NH2 ARG 53 4.619 -14.529 -0.206
10 NH2 ARG 53 NH1 ARG 53 6.143 -13.376 1.026
11 OH TYR 69 OH TYR 69 7.376 -5.577 3.852
12 OH TYR 73 OH TYR 73 7.559 2.697 2.612
13 OH TYR 75 OH TYR 75 3.432 13.209 2.846
14 NH1 ARG 100 NH2 ARG 100 4.640 7.667 -9.104
15 NH2 ARG 100 NH1 ARG 100 5.152 6.055 -10.623
16 OH TYR 111 OH TYR 111 -14.860 3.151 3.349
17 OH TYR 123 OH TYR 123 -21.837 -9.213 -0.412
Start of MODEL 7
Raw file had 17 H/Q atoms
Start of MODEL 7
1 CH2 TRP 3 CH2 TRP 3 8.918 5.496 11.378
2 NH1 ARG 6 NH2 ARG 6 -1.029 4.310 12.307
3 NH2 ARG 6 NH1 ARG 6 0.688 5.621 13.007
4 OH TYR 25 OH TYR 25 -8.719 1.210 0.659
5 OH TYR 28 OH TYR 28 -5.896 -9.732 -7.110
6 NH1 ARG 43 NH2 ARG 43 -5.934 -8.039 -9.751
7 NH2 ARG 43 NH1 ARG 43 -5.469 -7.462 -11.893
8 OH TYR 52 OH TYR 52 4.514 -0.995 3.056
9 NH1 ARG 53 NH2 ARG 53 5.133 -15.231 -0.901
10 NH2 ARG 53 NH1 ARG 53 2.918 -14.970 -0.483
11 OH TYR 69 OH TYR 69 7.586 -6.500 4.056
12 OH TYR 73 OH TYR 73 7.327 2.357 2.700
13 OH TYR 75 OH TYR 75 3.167 12.702 3.008
14 NH1 ARG 100 NH2 ARG 100 5.034 7.671 -8.863
15 NH2 ARG 100 NH1 ARG 100 5.569 6.113 -10.429
16 OH TYR 111 OH TYR 111 -14.816 3.364 3.103
17 OH TYR 123 OH TYR 123 -22.024 -8.445 -0.661
Start of MODEL 8
Raw file had 17 H/Q atoms
Start of MODEL 8
1 CH2 TRP 3 CH2 TRP 3 7.874 7.059 12.064
2 NH1 ARG 6 NH2 ARG 6 -1.581 4.826 12.194
3 NH2 ARG 6 NH1 ARG 6 0.245 5.979 12.896
4 OH TYR 25 OH TYR 25 -8.628 1.210 0.589
5 OH TYR 28 OH TYR 28 -5.727 -9.476 -7.105
6 NH1 ARG 43 NH2 ARG 43 -3.974 -4.713 -11.451
7 NH2 ARG 43 NH1 ARG 43 -4.243 -6.933 -11.865
8 OH TYR 52 OH TYR 52 4.473 -0.767 3.227
9 NH1 ARG 53 NH2 ARG 53 4.966 -15.067 -0.727
10 NH2 ARG 53 NH1 ARG 53 2.806 -14.728 -0.118
11 OH TYR 69 OH TYR 69 6.805 -5.419 3.942
12 OH TYR 73 OH TYR 73 7.208 2.069 2.962
13 OH TYR 75 OH TYR 75 3.089 12.700 3.092
14 NH1 ARG 100 NH2 ARG 100 4.895 6.591 -9.001
15 NH2 ARG 100 NH1 ARG 100 6.117 4.972 -10.028
16 OH TYR 111 OH TYR 111 -15.247 3.868 3.560
17 OH TYR 123 OH TYR 123 -21.888 -9.023 -0.417
Start of MODEL 9
Raw file had 17 H/Q atoms
Start of MODEL 9
1 CH2 TRP 3 CH2 TRP 3 8.922 6.976 11.047
2 NH1 ARG 6 NH2 ARG 6 0.840 1.865 9.519
3 NH2 ARG 6 NH1 ARG 6 -1.120 0.813 9.058
4 OH TYR 25 OH TYR 25 -8.524 1.140 0.868
5 OH TYR 28 OH TYR 28 -5.832 -9.915 -6.881
6 NH1 ARG 43 NH2 ARG 43 -3.105 -5.904 -9.914
7 NH2 ARG 43 NH1 ARG 43 -3.767 -7.958 -10.627
8 OH TYR 52 OH TYR 52 5.153 -0.167 3.073
9 NH1 ARG 53 NH2 ARG 53 5.456 -14.795 -0.698
10 NH2 ARG 53 NH1 ARG 53 3.221 -14.823 -0.319
11 OH TYR 69 OH TYR 69 6.735 -5.834 3.670
12 OH TYR 73 OH TYR 73 7.230 2.372 2.914
13 OH TYR 75 OH TYR 75 3.358 13.404 2.846
14 NH1 ARG 100 NH2 ARG 100 8.167 7.202 -8.576
15 NH2 ARG 100 NH1 ARG 100 7.503 5.493 -9.920
16 OH TYR 111 OH TYR 111 -14.888 2.943 3.288
17 OH TYR 123 OH TYR 123 -21.773 -8.527 -0.755
Start of MODEL 10
Raw file had 17 H/Q atoms
Start of MODEL 10
1 CH2 TRP 3 CH2 TRP 3 8.474 5.620 11.685
2 NH1 ARG 6 NH2 ARG 6 0.113 0.972 9.676
3 NH2 ARG 6 NH1 ARG 6 -1.167 0.224 7.955
4 OH TYR 25 OH TYR 25 -9.235 1.073 0.614
5 OH TYR 28 OH TYR 28 -5.935 -9.864 -6.733
6 NH1 ARG 43 NH2 ARG 43 -3.126 -5.477 -9.950
7 NH2 ARG 43 NH1 ARG 43 -3.641 -7.576 -10.654
8 OH TYR 52 OH TYR 52 4.669 -0.412 3.096
9 NH1 ARG 53 NH2 ARG 53 3.486 -14.286 -2.729
10 NH2 ARG 53 NH1 ARG 53 5.569 -15.196 -2.767
11 OH TYR 69 OH TYR 69 7.773 -6.166 3.340
12 OH TYR 73 OH TYR 73 7.567 2.200 2.601
13 OH TYR 75 OH TYR 75 3.201 12.709 3.323
14 NH1 ARG 100 NH2 ARG 100 4.813 6.773 -8.962
15 NH2 ARG 100 NH1 ARG 100 6.111 5.237 -10.023
16 OH TYR 111 OH TYR 111 -15.655 4.165 3.068
17 OH TYR 123 OH TYR 123 -22.229 -8.553 -0.856
Start of MODEL 11
Raw file had 17 H/Q atoms
Start of MODEL 11
1 CH2 TRP 3 CH2 TRP 3 9.038 5.648 10.830
2 NH1 ARG 6 NH2 ARG 6 0.645 1.277 9.624
3 NH2 ARG 6 NH1 ARG 6 -0.590 0.509 7.885
4 OH TYR 25 OH TYR 25 -9.281 1.249 0.810
5 OH TYR 28 OH TYR 28 -6.063 -9.648 -7.188
6 NH1 ARG 43 NH2 ARG 43 -3.401 -5.096 -10.552
7 NH2 ARG 43 NH1 ARG 43 -4.060 -7.063 -11.482
8 OH TYR 52 OH TYR 52 4.175 -0.662 2.644
9 NH1 ARG 53 NH2 ARG 53 4.672 -15.276 -0.567
10 NH2 ARG 53 NH1 ARG 53 2.416 -15.075 -0.457
11 OH TYR 69 OH TYR 69 6.677 -6.155 3.140
12 OH TYR 73 OH TYR 73 7.257 2.039 2.569
13 OH TYR 75 OH TYR 75 3.596 12.968 3.073
14 NH1 ARG 100 NH2 ARG 100 7.968 7.045 -8.802
15 NH2 ARG 100 NH1 ARG 100 7.137 5.478 -10.225
16 OH TYR 111 OH TYR 111 -15.077 3.205 3.263
17 OH TYR 123 OH TYR 123 -22.306 -8.568 -0.646
Start of MODEL 12
Raw file had 17 H/Q atoms
Start of MODEL 12
1 CH2 TRP 3 CH2 TRP 3 8.515 7.408 10.845
2 NH1 ARG 6 NH2 ARG 6 -0.625 4.486 12.297
3 NH2 ARG 6 NH1 ARG 6 1.058 5.900 12.869
4 OH TYR 25 OH TYR 25 -8.358 0.852 0.630
5 OH TYR 28 OH TYR 28 -5.811 -9.898 -6.860
6 NH1 ARG 43 NH2 ARG 43 -3.172 -5.425 -10.328
7 NH2 ARG 43 NH1 ARG 43 -3.732 -7.472 -11.146
8 OH TYR 52 OH TYR 52 5.121 -0.440 3.135
9 NH1 ARG 53 NH2 ARG 53 4.744 -14.454 0.058
10 NH2 ARG 53 NH1 ARG 53 6.243 -15.270 -1.444
11 OH TYR 69 OH TYR 69 6.649 -6.294 4.224
12 OH TYR 73 OH TYR 73 7.777 2.584 2.455
13 OH TYR 75 OH TYR 75 2.838 12.771 2.952
14 NH1 ARG 100 NH2 ARG 100 4.873 7.815 -8.779
15 NH2 ARG 100 NH1 ARG 100 5.692 6.267 -10.229
16 OH TYR 111 OH TYR 111 -13.887 4.402 3.523
17 OH TYR 123 OH TYR 123 -22.141 -8.809 -0.633
Start of MODEL 13
Raw file had 17 H/Q atoms
Start of MODEL 13
1 CH2 TRP 3 CH2 TRP 3 8.641 6.022 11.641
2 NH1 ARG 6 NH2 ARG 6 -1.230 4.067 12.357
3 NH2 ARG 6 NH1 ARG 6 0.416 5.384 13.205
4 OH TYR 25 OH TYR 25 -8.369 1.152 0.591
5 OH TYR 28 OH TYR 28 -5.847 -9.419 -6.957
6 NH1 ARG 43 NH2 ARG 43 -3.862 -5.303 -11.164
7 NH2 ARG 43 NH1 ARG 43 -4.490 -7.442 -11.609
8 OH TYR 52 OH TYR 52 5.910 -0.311 3.023
9 NH1 ARG 53 NH2 ARG 53 4.757 -15.156 -0.119
10 NH2 ARG 53 NH1 ARG 53 2.503 -14.917 -0.020
11 OH TYR 69 OH TYR 69 6.584 -6.490 5.075
12 OH TYR 73 OH TYR 73 7.703 2.274 2.415
13 OH TYR 75 OH TYR 75 2.958 12.861 3.242
14 NH1 ARG 100 NH2 ARG 100 8.001 7.113 -8.671
15 NH2 ARG 100 NH1 ARG 100 7.197 5.548 -10.111
16 OH TYR 111 OH TYR 111 -14.935 4.140 3.439
17 OH TYR 123 OH TYR 123 -22.236 -8.916 -0.910
Start of MODEL 14
Raw file had 17 H/Q atoms
Start of MODEL 14
1 CH2 TRP 3 CH2 TRP 3 9.213 5.542 11.422
2 NH1 ARG 6 NH2 ARG 6 -0.713 4.099 12.202
3 NH2 ARG 6 NH1 ARG 6 0.995 5.409 12.925
4 OH TYR 25 OH TYR 25 -8.746 1.209 0.652
5 OH TYR 28 OH TYR 28 -5.929 -9.642 -7.261
6 NH1 ARG 43 NH2 ARG 43 -6.814 -5.552 -12.141
7 NH2 ARG 43 NH1 ARG 43 -5.345 -7.287 -12.098
8 OH TYR 52 OH TYR 52 4.751 -0.551 2.715
9 NH1 ARG 53 NH2 ARG 53 4.909 -15.205 -1.496
10 NH2 ARG 53 NH1 ARG 53 2.781 -14.966 -0.747
11 OH TYR 69 OH TYR 69 8.405 -6.198 3.077
12 OH TYR 73 OH TYR 73 7.695 2.293 2.245
13 OH TYR 75 OH TYR 75 3.335 12.813 2.869
14 NH1 ARG 100 NH2 ARG 100 6.481 3.416 -8.628
15 NH2 ARG 100 NH1 ARG 100 5.894 4.483 -10.546
16 OH TYR 111 OH TYR 111 -15.158 3.970 3.486
17 OH TYR 123 OH TYR 123 -21.847 -8.587 -0.429
Start of MODEL 15
Raw file had 17 H/Q atoms
Start of MODEL 15
1 CH2 TRP 3 CH2 TRP 3 8.172 7.048 11.527
2 NH1 ARG 6 NH2 ARG 6 0.822 1.271 9.818
3 NH2 ARG 6 NH1 ARG 6 -0.507 0.036 8.447
4 OH TYR 25 OH TYR 25 -8.762 1.257 0.931
5 OH TYR 28 OH TYR 28 -5.704 -9.536 -7.066
6 NH1 ARG 43 NH2 ARG 43 -3.187 -5.069 -10.367
7 NH2 ARG 43 NH1 ARG 43 -3.799 -7.074 -11.247
8 OH TYR 52 OH TYR 52 5.277 -0.791 2.737
9 NH1 ARG 53 NH2 ARG 53 4.903 -15.437 -1.916
10 NH2 ARG 53 NH1 ARG 53 2.781 -15.167 -1.161
11 OH TYR 69 OH TYR 69 8.481 -6.181 3.425
12 OH TYR 73 OH TYR 73 8.014 2.348 2.078
13 OH TYR 75 OH TYR 75 3.403 12.684 2.969
14 NH1 ARG 100 NH2 ARG 100 4.671 7.680 -9.295
15 NH2 ARG 100 NH1 ARG 100 5.430 6.123 -10.767
16 OH TYR 111 OH TYR 111 -15.016 3.074 3.357
17 OH TYR 123 OH TYR 123 -21.999 -8.841 -0.554
Start of MODEL 16
Raw file had 17 H/Q atoms
Start of MODEL 16
1 CH2 TRP 3 CH2 TRP 3 8.808 6.293 10.717
2 NH1 ARG 6 NH2 ARG 6 -0.766 4.095 12.150
3 NH2 ARG 6 NH1 ARG 6 0.821 5.526 12.920
4 OH TYR 25 OH TYR 25 -8.932 1.156 0.683
5 OH TYR 28 OH TYR 28 -5.688 -9.537 -7.006
6 NH1 ARG 43 NH2 ARG 43 -3.247 -4.976 -10.524
7 NH2 ARG 43 NH1 ARG 43 -3.784 -7.013 -11.378
8 OH TYR 52 OH TYR 52 6.042 -0.532 2.849
9 NH1 ARG 53 NH2 ARG 53 4.150 -14.386 -0.316
10 NH2 ARG 53 NH1 ARG 53 5.565 -13.235 1.040
11 OH TYR 69 OH TYR 69 6.686 -6.514 5.719
12 OH TYR 73 OH TYR 73 8.080 2.613 1.968
13 OH TYR 75 OH TYR 75 2.793 13.099 3.024
14 NH1 ARG 100 NH2 ARG 100 4.937 7.992 -8.942
15 NH2 ARG 100 NH1 ARG 100 5.537 6.482 -10.530
16 OH TYR 111 OH TYR 111 -15.038 3.379 3.354
17 OH TYR 123 OH TYR 123 -21.836 -8.719 -0.129
Start of MODEL 17
Raw file had 17 H/Q atoms
Start of MODEL 17
1 CH2 TRP 3 CH2 TRP 3 8.936 5.498 11.478
2 NH1 ARG 6 NH2 ARG 6 0.296 0.806 9.412
3 NH2 ARG 6 NH1 ARG 6 -1.041 0.218 7.673
4 OH TYR 25 OH TYR 25 -8.474 1.219 0.730
5 OH TYR 28 OH TYR 28 -6.234 -9.777 -7.340
6 NH1 ARG 43 NH2 ARG 43 -3.396 -5.244 -10.479
7 NH2 ARG 43 NH1 ARG 43 -4.088 -7.194 -11.418
8 OH TYR 52 OH TYR 52 4.922 -0.636 2.594
9 NH1 ARG 53 NH2 ARG 53 5.115 -15.222 -0.707
10 NH2 ARG 53 NH1 ARG 53 2.873 -15.070 -0.394
11 OH TYR 69 OH TYR 69 8.121 -6.387 5.014
12 OH TYR 73 OH TYR 73 8.107 2.350 1.797
13 OH TYR 75 OH TYR 75 3.040 12.709 3.189
14 NH1 ARG 100 NH2 ARG 100 4.522 7.515 -9.113
15 NH2 ARG 100 NH1 ARG 100 5.617 6.039 -10.452
16 OH TYR 111 OH TYR 111 -14.604 3.319 3.461
17 OH TYR 123 OH TYR 123 -22.019 -8.363 -0.083
Start of MODEL 18
Raw file had 17 H/Q atoms
Start of MODEL 18
1 CH2 TRP 3 CH2 TRP 3 8.699 6.035 11.175
2 NH1 ARG 6 NH2 ARG 6 -1.060 1.728 9.851
3 NH2 ARG 6 NH1 ARG 6 -1.193 0.956 7.728
4 OH TYR 25 OH TYR 25 -8.527 1.023 0.607
5 OH TYR 28 OH TYR 28 -5.644 -10.157 -6.408
6 NH1 ARG 43 NH2 ARG 43 -3.749 -5.283 -10.980
7 NH2 ARG 43 NH1 ARG 43 -4.090 -7.498 -11.370
8 OH TYR 52 OH TYR 52 6.768 -0.579 3.186
9 NH1 ARG 53 NH2 ARG 53 3.073 -13.023 -5.546
10 NH2 ARG 53 NH1 ARG 53 1.671 -13.858 -3.970
11 OH TYR 69 OH TYR 69 5.733 -6.630 6.258
12 OH TYR 73 OH TYR 73 8.142 2.703 2.135
13 OH TYR 75 OH TYR 75 2.603 13.232 2.988
14 NH1 ARG 100 NH2 ARG 100 6.440 3.683 -8.278
15 NH2 ARG 100 NH1 ARG 100 6.098 4.955 -10.128
16 OH TYR 111 OH TYR 111 -14.186 4.558 3.269
17 OH TYR 123 OH TYR 123 -21.940 -9.594 -0.210
Start of MODEL 19
Raw file had 17 H/Q atoms
Start of MODEL 19
1 CH2 TRP 3 CH2 TRP 3 8.499 6.426 11.545
2 NH1 ARG 6 NH2 ARG 6 -1.002 4.352 12.175
3 NH2 ARG 6 NH1 ARG 6 0.807 5.580 12.786
4 OH TYR 25 OH TYR 25 -8.740 1.249 0.528
5 OH TYR 28 OH TYR 28 -6.125 -10.102 -7.151
6 NH1 ARG 43 NH2 ARG 43 -3.666 -4.950 -10.989
7 NH2 ARG 43 NH1 ARG 43 -4.064 -7.110 -11.580
8 OH TYR 52 OH TYR 52 4.317 -0.826 2.900
9 NH1 ARG 53 NH2 ARG 53 3.737 -14.591 -2.929
10 NH2 ARG 53 NH1 ARG 53 5.817 -15.478 -3.164
11 OH TYR 69 OH TYR 69 7.065 -6.452 3.830
12 OH TYR 73 OH TYR 73 7.369 2.245 2.665
13 OH TYR 75 OH TYR 75 2.948 12.611 3.089
14 NH1 ARG 100 NH2 ARG 100 4.960 6.782 -8.968
15 NH2 ARG 100 NH1 ARG 100 6.212 5.175 -9.977
16 OH TYR 111 OH TYR 111 -14.827 3.456 3.218
17 OH TYR 123 OH TYR 123 -22.036 -8.234 -0.309
Start of MODEL 20
Start of MODEL 20
1 CH2 TRP 3 CH2 TRP 3 8.897 5.577 10.889
2 NH1 ARG 6 NH2 ARG 6 -0.176 0.928 9.966
3 NH2 ARG 6 NH1 ARG 6 -1.251 0.255 8.082
4 OH TYR 25 OH TYR 25 -8.335 1.012 0.581
5 OH TYR 28 OH TYR 28 -6.092 -10.052 -6.673
6 NH1 ARG 43 NH2 ARG 43 -6.067 -1.838 -8.732
7 NH2 ARG 43 NH1 ARG 43 -7.221 -1.668 -10.679
8 OH TYR 52 OH TYR 52 5.846 -0.172 3.030
9 NH1 ARG 53 NH2 ARG 53 5.411 -14.262 1.163
10 NH2 ARG 53 NH1 ARG 53 6.580 -15.248 -0.521
11 OH TYR 69 OH TYR 69 5.544 -6.831 6.365
12 OH TYR 73 OH TYR 73 7.344 2.321 2.672
13 OH TYR 75 OH TYR 75 2.952 12.688 3.063
14 NH1 ARG 100 NH2 ARG 100 7.951 6.890 -8.832
15 NH2 ARG 100 NH1 ARG 100 6.822 5.685 -10.395
16 OH TYR 111 OH TYR 111 -14.336 4.400 3.453
17 OH TYR 123 OH TYR 123 -22.662 -8.820 -1.228
No H/Q in entry = 17
No H/Q in entry = 17
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