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 |
|
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11571 |
1rpv   |
cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name
Start of MODEL 1
Raw file had 196 H/Q atoms
Start of MODEL 1
1 1H2 SIN 1 1H2 SIN 1 8.816 9.264 -2.203
2 2H2 SIN 1 2H2 SIN 1 9.796 7.998 -2.928
3 1H3 SIN 1 1H3 SIN 1 9.683 6.790 -0.654
4 2H3 SIN 1 2H3 SIN 1 8.198 6.832 -1.579
5 H THR 2 H THR 2 9.876 10.836 -1.289
6 HA THR 2 HA THR 2 12.768 10.787 -0.954
7 HB THR 2 HB THR 2 10.702 12.969 -0.277
8 HG1 THR 2 HG1 THR 2 10.837 12.246 -2.447
9 1HG2 THR 2 1HG2 THR 2 13.753 13.038 -0.705
10 2HG2 THR 2 3HG2 THR 2 12.733 14.466 -0.611
11 3HG2 THR 2 2HG2 THR 2 12.938 13.442 0.799
12 NH1 ARG 3 NH1 ARG 3 11.608 15.721 3.060
13 NH2 ARG 3 NH2 ARG 3 9.837 17.065 3.404
14 H ARG 3 H ARG 3 9.997 11.104 1.174
15 HA ARG 3 HA ARG 3 11.486 11.207 3.632
16 1HB ARG 3 2HB ARG 3 8.588 10.364 3.194
17 2HB ARG 3 1HB ARG 3 9.276 10.923 4.706
18 1HG ARG 3 2HG ARG 3 8.935 12.577 2.162
19 2HG ARG 3 1HG ARG 3 8.060 12.772 3.665
20 1HD ARG 3 2HD ARG 3 10.402 13.195 4.761
21 2HD ARG 3 1HD ARG 3 10.983 13.361 3.109
22 HE ARG 3 HE ARG 3 8.662 15.011 3.971
23 1HH1 ARG 3 2HH1 ARG 3 12.028 14.815 3.048
24 2HH1 ARG 3 1HH1 ARG 3 12.151 16.524 2.813
25 1HH2 ARG 3 1HH2 ARG 3 8.878 17.196 3.656
26 2HH2 ARG 3 2HH2 ARG 3 10.402 17.853 3.157
27 H GLN 4 H GLN 4 10.956 8.672 1.548
28 HA GLN 4 HA GLN 4 11.681 6.659 3.637
29 1HB GLN 4 2HB GLN 4 9.744 6.258 1.312
30 2HB GLN 4 1HB GLN 4 10.258 5.011 2.420
31 1HG GLN 4 2HG GLN 4 9.315 6.518 4.316
32 2HG GLN 4 1HG GLN 4 8.555 7.458 3.042
33 1HE2 GLN 4 2HE2 GLN 4 6.405 4.710 2.031
34 2HE2 GLN 4 1HE2 GLN 4 7.370 5.924 1.338
35 H ALA 5 H ALA 5 13.065 8.337 1.537
36 HA ALA 5 HA ALA 5 13.996 6.722 -0.608
37 1HB ALA 5 2HB ALA 5 15.381 8.989 0.881
38 2HB ALA 5 1HB ALA 5 15.925 8.331 -0.657
39 3HB ALA 5 3HB ALA 5 14.376 9.147 -0.553
40 NH1 ARG 6 NH1 ARG 6 16.559 2.664 7.226
41 NH2 ARG 6 NH2 ARG 6 14.329 2.994 7.223
42 H ARG 6 H ARG 6 15.035 7.071 2.697
43 HA ARG 6 HA ARG 6 17.476 5.606 2.612
44 1HB ARG 6 2HB ARG 6 16.752 7.114 4.460
45 2HB ARG 6 1HB ARG 6 15.484 5.989 4.881
46 1HG ARG 6 2HG ARG 6 17.567 4.268 5.123
47 2HG ARG 6 1HG ARG 6 18.483 5.750 5.290
48 1HD ARG 6 2HD ARG 6 17.747 4.893 7.517
49 2HD ARG 6 1HD ARG 6 16.968 6.432 7.172
50 HE ARG 6 HE ARG 6 14.900 5.337 6.921
51 1HH1 ARG 6 2HH1 ARG 6 17.490 3.021 7.167
52 2HH1 ARG 6 1HH1 ARG 6 16.407 1.684 7.350
53 1HH2 ARG 6 1HH2 ARG 6 13.542 3.608 7.156
54 2HH2 ARG 6 2HH2 ARG 6 14.189 2.012 7.352
55 NH1 ARG 7 NH2 ARG 7 9.760 2.175 6.406
56 NH2 ARG 7 NH1 ARG 7 9.763 4.397 6.034
57 H ARG 7 H ARG 7 14.172 4.612 2.662
58 HA ARG 7 HA ARG 7 14.571 1.892 3.556
59 1HB ARG 7 2HB ARG 7 12.386 3.534 3.203
60 2HB ARG 7 1HB ARG 7 12.246 2.552 1.762
61 1HG ARG 7 2HG ARG 7 12.233 0.490 3.141
62 2HG ARG 7 1HG ARG 7 12.485 1.438 4.598
63 1HD ARG 7 2HD ARG 7 10.062 1.650 2.755
64 2HD ARG 7 1HD ARG 7 10.062 0.897 4.339
65 HE ARG 7 HE ARG 7 10.404 3.811 3.784
66 1HH1 ARG 7 1HH2 ARG 7 9.891 1.236 6.090
67 2HH1 ARG 7 2HH2 ARG 7 9.492 2.346 7.353
68 1HH2 ARG 7 2HH1 ARG 7 9.899 5.174 5.420
69 2HH2 ARG 7 1HH1 ARG 7 9.495 4.553 6.984
70 H ASN 8 H ASN 8 14.514 3.633 0.561
71 HA ASN 8 HA ASN 8 14.681 1.335 -1.168
72 1HB ASN 8 2HB ASN 8 15.433 4.245 -1.750
73 2HB ASN 8 1HB ASN 8 15.146 2.999 -2.952
74 1HD2 ASN 8 2HD2 ASN 8 11.593 2.907 -2.378
75 2HD2 ASN 8 1HD2 ASN 8 12.905 1.898 -2.752
76 NH1 ARG 9 NH2 ARG 9 21.886 2.853 -1.421
77 NH2 ARG 9 NH1 ARG 9 23.598 3.838 -0.345
78 H ARG 9 H ARG 9 16.932 3.509 0.385
79 HA ARG 9 HA ARG 9 19.319 2.616 -0.947
80 1HB ARG 9 2HB ARG 9 18.879 3.936 1.770
81 2HB ARG 9 1HB ARG 9 20.469 3.647 1.111
82 1HG ARG 9 2HG ARG 9 18.317 5.272 -0.324
83 2HG ARG 9 1HG ARG 9 19.544 5.986 0.697
84 1HD ARG 9 2HD ARG 9 20.059 4.415 -1.881
85 2HD ARG 9 1HD ARG 9 20.234 6.139 -1.645
86 HE ARG 9 HE ARG 9 22.129 5.758 -0.190
87 1HH1 ARG 9 1HH2 ARG 9 20.958 2.872 -1.790
88 2HH1 ARG 9 2HH2 ARG 9 22.443 2.028 -1.518
89 1HH2 ARG 9 2HH1 ARG 9 23.993 4.628 0.124
90 2HH2 ARG 9 1HH1 ARG 9 24.135 3.003 -0.454
91 H ALA 10 H ALA 10 17.523 1.588 1.841
92 HA ALA 10 HA ALA 10 19.447 -0.343 2.832
93 1HB ALA 10 3HB ALA 10 17.488 0.659 4.162
94 2HB ALA 10 2HB ALA 10 16.413 -0.358 3.216
95 3HB ALA 10 1HB ALA 10 17.612 -1.090 4.270
96 NH1 ARG 11 NH2 ARG 11 11.663 -1.623 -2.024
97 NH2 ARG 11 NH1 ARG 11 11.574 0.345 -0.927
98 H ARG 11 H ARG 11 16.893 -0.228 0.527
99 HA ARG 11 HA ARG 11 16.661 -3.052 -0.017
100 1HB ARG 11 2HB ARG 11 15.253 -0.730 -0.694
101 2HB ARG 11 1HB ARG 11 15.963 -1.169 -2.217
102 1HG ARG 11 2HG ARG 11 14.078 -2.485 -2.377
103 2HG ARG 11 1HG ARG 11 15.061 -3.628 -1.491
104 1HD ARG 11 2HD ARG 11 12.820 -3.360 -0.416
105 2HD ARG 11 1HD ARG 11 14.103 -2.824 0.658
106 HE ARG 11 HE ARG 11 13.252 -0.649 0.526
107 1HH1 ARG 11 1HH2 ARG 11 12.036 -2.545 -2.127
108 2HH1 ARG 11 2HH2 ARG 11 10.975 -1.290 -2.668
109 1HH2 ARG 11 2HH1 ARG 11 11.882 0.941 -0.185
110 2HH2 ARG 11 1HH1 ARG 11 10.885 0.668 -1.575
111 NH1 ARG 12 NH1 ARG 12 17.224 -0.374 -6.256
112 NH2 ARG 12 NH2 ARG 12 16.389 -1.762 -4.694
113 H ARG 12 H ARG 12 18.633 -0.435 -1.108
114 HA ARG 12 HA ARG 12 19.794 -1.805 -3.405
115 1HB ARG 12 2HB ARG 12 20.055 0.846 -2.058
116 2HB ARG 12 1HB ARG 12 21.585 0.240 -2.640
117 1HG ARG 12 2HG ARG 12 20.795 1.407 -4.508
118 2HG ARG 12 1HG ARG 12 20.317 -0.230 -4.892
119 1HD ARG 12 2HD ARG 12 18.480 1.811 -3.552
120 2HD ARG 12 1HD ARG 12 18.481 1.480 -5.272
121 HE ARG 12 HE ARG 12 17.683 -0.445 -3.130
122 1HH1 ARG 12 2HH1 ARG 12 17.794 0.403 -6.522
123 2HH1 ARG 12 1HH1 ARG 12 16.713 -0.876 -6.953
124 1HH2 ARG 12 1HH2 ARG 12 16.319 -2.061 -3.744
125 2HH2 ARG 12 2HH2 ARG 12 15.883 -2.245 -5.408
126 CH2 TRP 13 CH2 TRP 13 23.891 -5.938 4.994
127 H TRP 13 H TRP 13 20.487 -1.302 -0.030
128 HA TRP 13 HA TRP 13 23.116 -2.498 -0.019
129 1HB TRP 13 2HB TRP 13 22.128 -0.984 1.825
130 2HB TRP 13 1HB TRP 13 21.166 -2.366 2.333
131 HD1 TRP 13 HD1 TRP 13 24.857 -1.133 2.194
132 HE1 TRP 13 HE1 TRP 13 26.154 -2.681 3.653
133 HE3 TRP 13 HE3 TRP 13 21.323 -4.601 3.231
134 HZ2 TRP 13 HZ2 TRP 13 25.862 -5.098 5.130
135 HZ3 TRP 13 HZ3 TRP 13 21.853 -6.533 4.674
136 HH2 TRP 13 HH2 TRP 13 24.122 -6.783 5.625
137 NH1 ARG 14 NH2 ARG 14 17.151 -7.597 -2.271
138 NH2 ARG 14 NH1 ARG 14 16.016 -5.771 -2.958
139 H ARG 14 H ARG 14 19.848 -3.593 0.179
140 HA ARG 14 HA ARG 14 20.411 -6.317 1.027
141 1HB ARG 14 2HB ARG 14 18.176 -5.054 1.278
142 2HB ARG 14 1HB ARG 14 17.981 -5.237 -0.450
143 1HG ARG 14 2HG ARG 14 18.398 -7.832 0.067
144 2HG ARG 14 1HG ARG 14 18.034 -7.375 1.713
145 1HD ARG 14 2HD ARG 14 16.086 -8.236 0.124
146 2HD ARG 14 1HD ARG 14 15.772 -6.912 1.236
147 HE ARG 14 HE ARG 14 15.390 -5.561 -0.613
148 1HH1 ARG 14 1HH2 ARG 14 17.439 -8.220 -1.544
149 2HH1 ARG 14 2HH2 ARG 14 17.453 -7.758 -3.208
150 1HH2 ARG 14 2HH1 ARG 14 15.427 -4.988 -2.758
151 2HH2 ARG 14 1HH1 ARG 14 16.323 -5.937 -3.893
152 H ALA 15 H ALA 15 20.035 -4.521 -1.934
153 HA ALA 15 HA ALA 15 20.150 -6.786 -3.755
154 1HB ALA 15 1HB ALA 15 19.142 -4.542 -4.355
155 2HB ALA 15 3HB ALA 15 20.748 -3.835 -4.299
156 3HB ALA 15 2HB ALA 15 20.368 -5.054 -5.502
157 NH1 ARG 16 NH1 ARG 16 28.055 -5.574 0.459
158 NH2 ARG 16 NH2 ARG 16 26.542 -5.700 2.119
159 H ARG 16 H ARG 16 22.315 -5.025 -1.887
160 HA ARG 16 HA ARG 16 24.761 -5.788 -3.386
161 1HB ARG 16 2HB ARG 16 24.398 -3.422 -2.548
162 2HB ARG 16 1HB ARG 16 24.389 -4.045 -0.918
163 1HG ARG 16 2HG ARG 16 26.798 -5.075 -1.904
164 2HG ARG 16 1HG ARG 16 26.661 -3.568 -2.773
165 1HD ARG 16 2HD ARG 16 27.874 -3.231 -0.616
166 2HD ARG 16 1HD ARG 16 26.361 -2.340 -0.622
167 HE ARG 16 HE ARG 16 25.545 -3.750 1.068
168 1HH1 ARG 16 2HH1 ARG 16 28.410 -5.133 -0.365
169 2HH1 ARG 16 1HH1 ARG 16 28.520 -6.375 0.837
170 1HH2 ARG 16 1HH2 ARG 16 25.722 -5.356 2.573
171 2HH2 ARG 16 2HH2 ARG 16 27.021 -6.497 2.486
172 H GLN 17 H GLN 17 22.745 -6.723 -0.860
173 HA GLN 17 HA GLN 17 24.694 -8.742 0.138
174 1HB GLN 17 2HB GLN 17 24.313 -6.696 1.726
175 2HB GLN 17 1HB GLN 17 22.685 -7.292 1.929
176 1HG GLN 17 2HG GLN 17 23.656 -8.458 3.688
177 2HG GLN 17 1HG GLN 17 24.029 -9.620 2.428
178 1HE2 GLN 17 2HE2 GLN 17 27.504 -8.649 2.252
179 2HE2 GLN 17 1HE2 GLN 17 26.226 -9.183 1.269
180 NH1 ARG 18 NH1 ARG 18 24.999 -10.955 -3.486
181 NH2 ARG 18 NH2 ARG 18 25.898 -8.891 -3.483
182 H ARG 18 H ARG 18 23.411 -9.740 -1.667
183 HA ARG 18 HA ARG 18 20.630 -10.439 -1.201
184 1HB ARG 18 2HB ARG 18 22.634 -11.800 -3.040
185 2HB ARG 18 1HB ARG 18 20.894 -11.912 -3.142
186 1HG ARG 18 2HG ARG 18 20.675 -9.949 -4.251
187 2HG ARG 18 1HG ARG 18 21.767 -9.088 -3.195
188 1HD ARG 18 2HD ARG 18 23.056 -11.052 -5.087
189 2HD ARG 18 1HD ARG 18 22.329 -9.626 -5.797
190 HE ARG 18 HE ARG 18 23.900 -8.248 -4.679
191 1HH1 ARG 18 1HH1 ARG 18 24.264 -11.585 -3.733
192 2HH1 ARG 18 2HH1 ARG 18 25.797 -11.293 -2.987
193 1HH2 ARG 18 1HH2 ARG 18 25.850 -7.922 -3.726
194 2HH2 ARG 18 2HH2 ARG 18 26.691 -9.243 -2.987
195 1H NH2 19 1HN NH2 18 19.801 -12.477 -0.454
196 2H NH2 19 2HN NH2 18 20.766 -13.596 0.382
Start of MODEL 2
Raw file had 196 H/Q atoms
Start of MODEL 2
1 1H2 SIN 1 1H2 SIN 1 19.402 12.102 -2.170
2 2H2 SIN 1 2H2 SIN 1 19.792 11.030 -3.503
3 1H3 SIN 1 1H3 SIN 1 17.180 11.093 -3.990
4 2H3 SIN 1 2H3 SIN 1 18.197 12.414 -4.535
5 H THR 2 H THR 2 20.039 9.069 -2.739
6 HA THR 2 HA THR 2 17.931 7.521 -1.644
7 HB THR 2 HB THR 2 20.823 6.654 -1.162
8 HG1 THR 2 HG1 THR 2 20.746 7.755 -3.181
9 1HG2 THR 2 2HG2 THR 2 18.640 5.159 -0.930
10 2HG2 THR 2 1HG2 THR 2 18.531 5.281 -2.676
11 3HG2 THR 2 3HG2 THR 2 19.927 4.517 -1.936
12 NH1 ARG 3 NH1 ARG 3 22.740 11.558 -1.811
13 NH2 ARG 3 NH2 ARG 3 22.004 9.790 -2.996
14 H ARG 3 H ARG 3 19.856 9.793 -0.141
15 HA ARG 3 HA ARG 3 20.163 8.718 2.502
16 1HB ARG 3 2HB ARG 3 19.684 11.665 2.390
17 2HB ARG 3 1HB ARG 3 21.055 10.796 3.028
18 1HG ARG 3 2HG ARG 3 20.573 11.470 0.095
19 2HG ARG 3 1HG ARG 3 21.715 12.245 1.162
20 1HD ARG 3 2HD ARG 3 23.294 10.708 0.593
21 2HD ARG 3 1HD ARG 3 22.321 9.447 1.328
22 HE ARG 3 HE ARG 3 21.673 8.758 -0.810
23 1HH1 ARG 3 2HH1 ARG 3 22.941 11.996 -0.934
24 2HH1 ARG 3 1HH1 ARG 3 22.906 12.052 -2.664
25 1HH2 ARG 3 1HH2 ARG 3 21.639 8.860 -3.031
26 2HH2 ARG 3 2HH2 ARG 3 22.171 10.295 -3.842
27 H GLN 4 H GLN 4 17.797 10.863 1.039
28 HA GLN 4 HA GLN 4 15.968 10.876 3.286
29 1HB GLN 4 2HB GLN 4 15.527 11.590 0.347
30 2HB GLN 4 1HB GLN 4 14.419 11.974 1.647
31 1HG GLN 4 2HG GLN 4 15.565 13.900 2.028
32 2HG GLN 4 1HG GLN 4 16.956 12.961 2.533
33 1HE2 GLN 4 2HE2 GLN 4 18.550 13.201 -0.711
34 2HE2 GLN 4 1HE2 GLN 4 18.340 12.104 0.566
35 H ALA 5 H ALA 5 16.389 9.064 0.360
36 HA ALA 5 HA ALA 5 13.969 7.395 0.784
37 1HB ALA 5 2HB ALA 5 15.070 8.333 -1.506
38 2HB ALA 5 1HB ALA 5 15.983 6.842 -1.398
39 3HB ALA 5 3HB ALA 5 14.231 6.797 -1.455
40 NH1 ARG 6 NH1 ARG 6 13.946 5.975 8.293
41 NH2 ARG 6 NH2 ARG 6 11.732 5.595 8.151
42 H ARG 6 H ARG 6 15.358 7.142 2.899
43 HA ARG 6 HA ARG 6 17.577 5.414 3.068
44 1HB ARG 6 2HB ARG 6 16.879 5.078 5.424
45 2HB ARG 6 1HB ARG 6 16.776 6.756 4.951
46 1HG ARG 6 2HG ARG 6 14.675 6.689 5.824
47 2HG ARG 6 1HG ARG 6 14.212 5.925 4.323
48 1HD ARG 6 2HD ARG 6 14.408 3.699 5.297
49 2HD ARG 6 1HD ARG 6 15.159 4.331 6.753
50 HE ARG 6 HE ARG 6 12.309 4.364 6.122
51 1HH1 ARG 6 2HH1 ARG 6 14.873 5.866 7.933
52 2HH1 ARG 6 1HH1 ARG 6 13.796 6.496 9.133
53 1HH2 ARG 6 1HH2 ARG 6 10.948 5.193 7.680
54 2HH2 ARG 6 2HH2 ARG 6 11.596 6.116 8.994
55 NH1 ARG 7 NH2 ARG 7 10.787 2.074 6.269
56 NH2 ARG 7 NH1 ARG 7 9.558 3.769 7.100
57 H ARG 7 H ARG 7 14.219 4.702 2.590
58 HA ARG 7 HA ARG 7 14.347 1.868 3.213
59 1HB ARG 7 2HB ARG 7 12.376 3.459 1.488
60 2HB ARG 7 1HB ARG 7 12.128 1.809 2.030
61 1HG ARG 7 2HG ARG 7 12.488 2.801 4.445
62 2HG ARG 7 1HG ARG 7 12.184 4.353 3.685
63 1HD ARG 7 2HD ARG 7 10.008 3.430 2.787
64 2HD ARG 7 1HD ARG 7 10.295 1.950 3.693
65 HE ARG 7 HE ARG 7 9.384 4.479 4.777
66 1HH1 ARG 7 1HH2 ARG 7 11.201 1.598 5.494
67 2HH1 ARG 7 2HH2 ARG 7 10.906 1.717 7.195
68 1HH2 ARG 7 2HH1 ARG 7 9.023 4.603 6.964
69 2HH2 ARG 7 1HH1 ARG 7 9.686 3.400 8.020
70 H ASN 8 H ASN 8 14.580 3.951 0.437
71 HA ASN 8 HA ASN 8 14.944 1.903 -1.539
72 1HB ASN 8 2HB ASN 8 14.393 4.548 -1.702
73 2HB ASN 8 1HB ASN 8 16.127 4.643 -1.958
74 1HD2 ASN 8 2HD2 ASN 8 14.022 3.945 -5.122
75 2HD2 ASN 8 1HD2 ASN 8 13.628 4.900 -3.774
76 NH1 ARG 9 NH1 ARG 9 22.910 3.044 3.198
77 NH2 ARG 9 NH2 ARG 9 21.796 2.969 5.155
78 H ARG 9 H ARG 9 16.880 3.368 0.804
79 HA ARG 9 HA ARG 9 19.468 2.665 -0.378
80 1HB ARG 9 2HB ARG 9 18.718 4.707 1.263
81 2HB ARG 9 1HB ARG 9 19.201 3.552 2.485
82 1HG ARG 9 2HG ARG 9 21.403 3.297 1.146
83 2HG ARG 9 1HG ARG 9 20.876 4.690 0.221
84 1HD ARG 9 2HD ARG 9 22.373 5.383 2.095
85 2HD ARG 9 1HD ARG 9 20.762 6.067 2.272
86 HE ARG 9 HE ARG 9 20.496 4.806 4.222
87 1HH1 ARG 9 2HH1 ARG 9 23.054 3.444 2.293
88 2HH1 ARG 9 1HH1 ARG 9 23.489 2.290 3.507
89 1HH2 ARG 9 1HH2 ARG 9 21.078 3.314 5.761
90 2HH2 ARG 9 2HH2 ARG 9 22.381 2.216 5.452
91 H ALA 10 H ALA 10 17.125 1.327 1.673
92 HA ALA 10 HA ALA 10 18.942 -0.584 2.972
93 1HB ALA 10 3HB ALA 10 16.917 0.377 4.147
94 2HB ALA 10 2HB ALA 10 15.891 -0.464 2.996
95 3HB ALA 10 1HB ALA 10 16.902 -1.379 4.103
96 NH1 ARG 11 NH2 ARG 11 16.712 -2.590 -4.409
97 NH2 ARG 11 NH1 ARG 11 18.044 -1.032 -5.335
98 H ARG 11 H ARG 11 16.518 -0.536 0.435
99 HA ARG 11 HA ARG 11 16.651 -3.403 -0.044
100 1HB ARG 11 2HB ARG 11 15.341 -2.843 -2.123
101 2HB ARG 11 1HB ARG 11 14.615 -2.282 -0.643
102 1HG ARG 11 2HG ARG 11 14.664 -0.147 -1.270
103 2HG ARG 11 1HG ARG 11 16.362 -0.196 -1.684
104 1HD ARG 11 2HD ARG 11 14.551 -1.541 -3.663
105 2HD ARG 11 1HD ARG 11 14.333 0.187 -3.491
106 HE ARG 11 HE ARG 11 16.503 0.564 -4.338
107 1HH1 ARG 11 1HH2 ARG 11 15.910 -2.842 -3.870
108 2HH1 ARG 11 2HH2 ARG 11 17.302 -3.303 -4.786
109 1HH2 ARG 11 2HH1 ARG 11 18.272 -0.074 -5.509
110 2HH2 ARG 11 1HH1 ARG 11 18.621 -1.760 -5.705
111 NH1 ARG 12 NH1 ARG 12 22.161 3.371 -3.204
112 NH2 ARG 12 NH2 ARG 12 22.755 4.531 -1.366
113 H ARG 12 H ARG 12 18.310 -0.548 -1.353
114 HA ARG 12 HA ARG 12 19.514 -2.050 -3.553
115 1HB ARG 12 2HB ARG 12 20.914 -0.034 -3.880
116 2HB ARG 12 1HB ARG 12 19.249 0.435 -3.654
117 1HG ARG 12 2HG ARG 12 20.127 1.923 -2.209
118 2HG ARG 12 1HG ARG 12 20.010 0.589 -1.082
119 1HD ARG 12 2HD ARG 12 22.336 0.215 -1.087
120 2HD ARG 12 1HD ARG 12 22.556 0.850 -2.709
121 HE ARG 12 HE ARG 12 22.593 2.373 -0.237
122 1HH1 ARG 12 2HH1 ARG 12 21.911 2.509 -3.646
123 2HH1 ARG 12 1HH1 ARG 12 22.205 4.213 -3.740
124 1HH2 ARG 12 1HH2 ARG 12 22.964 4.563 -0.389
125 2HH2 ARG 12 2HH2 ARG 12 22.794 5.365 -1.915
126 CH2 TRP 13 CH2 TRP 13 22.818 -5.544 5.230
127 H TRP 13 H TRP 13 20.268 -1.299 -0.219
128 HA TRP 13 HA TRP 13 23.001 -2.213 -0.264
129 1HB TRP 13 2HB TRP 13 22.197 -0.718 1.527
130 2HB TRP 13 1HB TRP 13 20.973 -1.887 2.007
131 HD1 TRP 13 HD1 TRP 13 24.800 -1.343 2.013
132 HE1 TRP 13 HE1 TRP 13 25.736 -2.935 3.714
133 HE3 TRP 13 HE3 TRP 13 20.649 -3.944 3.175
134 HZ2 TRP 13 HZ2 TRP 13 24.907 -5.086 5.416
135 HZ3 TRP 13 HZ3 TRP 13 20.720 -5.771 4.834
136 HH2 TRP 13 HH2 TRP 13 22.848 -6.343 5.956
137 NH1 ARG 14 NH2 ARG 14 17.573 -7.163 -3.613
138 NH2 ARG 14 NH1 ARG 14 16.441 -5.232 -3.360
139 H ARG 14 H ARG 14 19.868 -3.583 0.454
140 HA ARG 14 HA ARG 14 20.680 -6.174 1.333
141 1HB ARG 14 2HB ARG 14 18.427 -5.401 1.736
142 2HB ARG 14 1HB ARG 14 18.145 -5.084 0.047
143 1HG ARG 14 2HG ARG 14 18.770 -7.916 0.985
144 2HG ARG 14 1HG ARG 14 17.162 -7.273 1.218
145 1HD ARG 14 2HD ARG 14 18.562 -7.864 -1.405
146 2HD ARG 14 1HD ARG 14 16.984 -8.395 -0.856
147 HE ARG 14 HE ARG 14 16.605 -5.709 -0.980
148 1HH1 ARG 14 1HH2 ARG 14 18.020 -7.969 -3.224
149 2HH1 ARG 14 2HH2 ARG 14 17.548 -7.037 -4.604
150 1HH2 ARG 14 2HH1 ARG 14 16.017 -4.545 -2.771
151 2HH2 ARG 14 1HH1 ARG 14 16.422 -5.120 -4.353
152 H ALA 15 H ALA 15 19.960 -4.793 -1.801
153 HA ALA 15 HA ALA 15 20.235 -7.184 -3.369
154 1HB ALA 15 1HB ALA 15 19.162 -4.972 -4.113
155 2HB ALA 15 3HB ALA 15 20.784 -4.326 -4.291
156 3HB ALA 15 2HB ALA 15 20.264 -5.680 -5.281
157 NH1 ARG 16 NH2 ARG 16 28.343 -4.435 1.275
158 NH2 ARG 16 NH1 ARG 16 28.201 -6.644 0.841
159 H ARG 16 H ARG 16 22.431 -4.705 -2.273
160 HA ARG 16 HA ARG 16 24.755 -5.555 -3.746
161 1HB ARG 16 2HB ARG 16 24.321 -3.289 -2.551
162 2HB ARG 16 1HB ARG 16 24.754 -4.098 -1.065
163 1HG ARG 16 2HG ARG 16 26.780 -4.661 -3.108
164 2HG ARG 16 1HG ARG 16 26.498 -2.938 -3.025
165 1HD ARG 16 2HD ARG 16 28.193 -3.312 -1.397
166 2HD ARG 16 1HD ARG 16 26.724 -3.222 -0.427
167 HE ARG 16 HE ARG 16 27.254 -5.932 -1.280
168 1HH1 ARG 16 1HH2 ARG 16 28.201 -3.485 0.999
169 2HH1 ARG 16 2HH2 ARG 16 28.739 -4.642 2.169
170 1HH2 ARG 16 2HH1 ARG 16 27.949 -7.394 0.228
171 2HH2 ARG 16 1HH1 ARG 16 28.599 -6.842 1.737
172 H GLN 17 H GLN 17 23.266 -6.430 -0.763
173 HA GLN 17 HA GLN 17 25.466 -8.180 0.120
174 1HB GLN 17 2HB GLN 17 23.056 -6.948 1.331
175 2HB GLN 17 1HB GLN 17 23.209 -8.630 1.768
176 1HG GLN 17 2HG GLN 17 24.422 -7.446 3.442
177 2HG GLN 17 1HG GLN 17 25.650 -8.144 2.406
178 1HE2 GLN 17 2HE2 GLN 17 26.719 -4.684 2.936
179 2HE2 GLN 17 1HE2 GLN 17 26.601 -6.127 3.823
180 NH1 ARG 18 NH1 ARG 18 26.526 -9.919 -1.894
181 NH2 ARG 18 NH2 ARG 18 28.091 -11.014 -3.083
182 H ARG 18 H ARG 18 22.814 -8.328 -1.890
183 HA ARG 18 HA ARG 18 21.668 -9.986 -3.004
184 1HB ARG 18 2HB ARG 18 24.326 -11.331 -2.338
185 2HB ARG 18 1HB ARG 18 23.071 -12.257 -3.119
186 1HG ARG 18 2HG ARG 18 24.164 -11.443 -4.985
187 2HG ARG 18 1HG ARG 18 22.943 -10.208 -4.798
188 1HD ARG 18 2HD ARG 18 24.907 -8.938 -5.057
189 2HD ARG 18 1HD ARG 18 24.767 -8.984 -3.314
190 HE ARG 18 HE ARG 18 26.612 -10.656 -4.967
191 1HH1 ARG 18 1HH1 ARG 18 25.652 -9.442 -1.836
192 2HH1 ARG 18 2HH1 ARG 18 27.086 -10.033 -1.073
193 1HH2 ARG 18 1HH2 ARG 18 28.423 -11.384 -3.949
194 2HH2 ARG 18 2HH2 ARG 18 28.637 -11.115 -2.251
195 1H NH2 19 1HN NH2 18 21.076 -12.606 -2.681
196 2H NH2 19 2HN NH2 18 20.429 -12.908 -1.140
Start of MODEL 3
Raw file had 196 H/Q atoms
Start of MODEL 3
1 1H2 SIN 1 1H2 SIN 1 18.519 11.590 -3.600
2 2H2 SIN 1 2H2 SIN 1 16.808 11.427 -3.970
3 1H3 SIN 1 1H3 SIN 1 18.168 13.349 -2.054
4 2H3 SIN 1 2H3 SIN 1 16.491 12.918 -1.770
5 H THR 2 H THR 2 19.290 10.790 -1.605
6 HA THR 2 HA THR 2 17.947 8.360 -0.719
7 HB THR 2 HB THR 2 20.506 9.692 0.368
8 HG1 THR 2 HG1 THR 2 19.916 7.771 -1.642
9 1HG2 THR 2 2HG2 THR 2 19.424 6.807 0.425
10 2HG2 THR 2 1HG2 THR 2 21.040 7.273 0.936
11 3HG2 THR 2 3HG2 THR 2 19.641 7.820 1.844
12 NH1 ARG 3 NH2 ARG 3 14.675 12.986 5.765
13 NH2 ARG 3 NH1 ARG 3 16.235 13.070 7.411
14 H ARG 3 H ARG 3 18.349 11.596 0.444
15 HA ARG 3 HA ARG 3 17.739 11.359 3.145
16 1HB ARG 3 2HB ARG 3 18.442 13.464 1.981
17 2HB ARG 3 1HB ARG 3 16.864 13.573 1.252
18 1HG ARG 3 2HG ARG 3 17.050 15.022 3.244
19 2HG ARG 3 1HG ARG 3 15.783 13.856 3.457
20 1HD ARG 3 2HD ARG 3 18.511 13.154 4.493
21 2HD ARG 3 1HD ARG 3 17.618 14.309 5.446
22 HE ARG 3 HE ARG 3 17.331 11.906 4.599
23 1HH1 ARG 3 1HH2 ARG 3 14.453 12.803 4.809
24 2HH1 ARG 3 2HH2 ARG 3 13.950 13.314 6.382
25 1HH2 ARG 3 2HH1 ARG 3 17.181 12.941 7.710
26 2HH2 ARG 3 1HH1 ARG 3 15.561 13.411 8.082
27 H GLN 4 H GLN 4 15.621 11.378 0.402
28 HA GLN 4 HA GLN 4 13.185 11.096 2.092
29 1HB GLN 4 2HB GLN 4 11.969 11.411 -0.083
30 2HB GLN 4 1HB GLN 4 13.023 12.753 0.311
31 1HG GLN 4 2HG GLN 4 14.796 11.678 -1.207
32 2HG GLN 4 1HG GLN 4 13.561 10.538 -1.722
33 1HE2 GLN 4 2HE2 GLN 4 13.115 14.500 -2.741
34 2HE2 GLN 4 1HE2 GLN 4 13.923 14.105 -1.303
35 H ALA 5 H ALA 5 15.182 9.429 -0.222
36 HA ALA 5 HA ALA 5 13.451 7.015 -0.193
37 1HB ALA 5 1HB ALA 5 14.554 8.108 -2.308
38 2HB ALA 5 3HB ALA 5 16.034 7.335 -1.767
39 3HB ALA 5 2HB ALA 5 14.621 6.368 -2.163
40 NH1 ARG 6 NH2 ARG 6 17.670 10.506 7.249
41 NH2 ARG 6 NH1 ARG 6 19.481 9.243 6.733
42 H ARG 6 H ARG 6 14.340 7.416 2.211
43 HA ARG 6 HA ARG 6 16.905 6.295 2.889
44 1HB ARG 6 2HB ARG 6 14.406 6.582 4.609
45 2HB ARG 6 1HB ARG 6 16.018 6.288 5.221
46 1HG ARG 6 2HG ARG 6 15.467 8.716 3.512
47 2HG ARG 6 1HG ARG 6 15.078 8.743 5.199
48 1HD ARG 6 2HD ARG 6 17.870 7.891 4.362
49 2HD ARG 6 1HD ARG 6 17.468 9.606 4.548
50 HE ARG 6 HE ARG 6 16.634 7.811 6.136
51 1HH1 ARG 6 1HH2 ARG 6 16.678 10.620 7.236
52 2HH1 ARG 6 2HH2 ARG 6 18.241 11.250 7.620
53 1HH2 ARG 6 2HH1 ARG 6 19.864 8.404 6.349
54 2HH2 ARG 6 1HH1 ARG 6 20.115 9.948 7.079
55 NH1 ARG 7 NH2 ARG 7 10.613 1.308 6.229
56 NH2 ARG 7 NH1 ARG 7 8.457 0.707 5.860
57 H ARG 7 H ARG 7 13.665 4.961 2.668
58 HA ARG 7 HA ARG 7 14.355 2.352 3.729
59 1HB ARG 7 2HB ARG 7 12.007 3.391 3.665
60 2HB ARG 7 1HB ARG 7 11.990 3.091 1.936
61 1HG ARG 7 2HG ARG 7 12.283 0.650 2.351
62 2HG ARG 7 1HG ARG 7 12.445 0.925 4.084
63 1HD ARG 7 2HD ARG 7 9.946 2.073 3.583
64 2HD ARG 7 1HD ARG 7 10.051 0.787 2.441
65 HE ARG 7 HE ARG 7 9.986 -0.484 3.540
66 1HH1 ARG 7 1HH2 ARG 7 11.573 1.325 5.950
67 2HH1 ARG 7 2HH2 ARG 7 10.362 1.765 7.092
68 1HH2 ARG 7 2HH1 ARG 7 7.792 0.269 5.252
69 2HH2 ARG 7 1HH1 ARG 7 8.139 1.126 6.721
70 H ASN 8 H ASN 8 14.167 3.900 0.629
71 HA ASN 8 HA ASN 8 14.503 1.606 -1.022
72 1HB ASN 8 2HB ASN 8 15.395 4.472 -1.574
73 2HB ASN 8 1HB ASN 8 15.131 3.237 -2.793
74 1HD2 ASN 8 2HD2 ASN 8 11.664 3.771 -2.941
75 2HD2 ASN 8 1HD2 ASN 8 13.028 2.986 -3.582
76 NH1 ARG 9 NH2 ARG 9 23.955 3.327 1.578
77 NH2 ARG 9 NH1 ARG 9 24.304 4.981 3.091
78 H ARG 9 H ARG 9 16.690 3.710 0.674
79 HA ARG 9 HA ARG 9 19.171 2.965 -0.470
80 1HB ARG 9 2HB ARG 9 18.600 4.793 1.351
81 2HB ARG 9 1HB ARG 9 18.879 3.508 2.507
82 1HG ARG 9 2HG ARG 9 21.143 3.131 1.101
83 2HG ARG 9 1HG ARG 9 20.840 4.767 0.580
84 1HD ARG 9 2HD ARG 9 21.761 5.615 2.557
85 2HD ARG 9 1HD ARG 9 20.617 4.661 3.457
86 HE ARG 9 HE ARG 9 21.590 3.263 3.546
87 1HH1 ARG 9 1HH2 ARG 9 23.359 2.609 1.225
88 2HH1 ARG 9 2HH2 ARG 9 24.833 3.507 1.115
89 1HH2 ARG 9 2HH1 ARG 9 23.993 5.509 3.884
90 2HH2 ARG 9 1HH1 ARG 9 25.190 5.227 2.672
91 H ALA 10 H ALA 10 17.256 1.531 2.084
92 HA ALA 10 HA ALA 10 19.086 -0.479 2.925
93 1HB ALA 10 2HB ALA 10 16.884 0.271 4.056
94 2HB ALA 10 1HB ALA 10 16.065 -0.797 2.927
95 3HB ALA 10 3HB ALA 10 17.219 -1.451 4.077
96 NH1 ARG 11 NH2 ARG 11 17.160 -5.618 -3.689
97 NH2 ARG 11 NH1 ARG 11 15.473 -6.922 -2.916
98 H ARG 11 H ARG 11 16.710 -0.388 0.387
99 HA ARG 11 HA ARG 11 16.856 -3.129 -0.325
100 1HB ARG 11 2HB ARG 11 15.044 -1.475 -0.998
101 2HB ARG 11 1HB ARG 11 16.158 -0.788 -2.132
102 1HG ARG 11 2HG ARG 11 14.741 -2.369 -3.292
103 2HG ARG 11 1HG ARG 11 16.359 -2.991 -3.319
104 1HD ARG 11 2HD ARG 11 14.591 -3.876 -1.064
105 2HD ARG 11 1HD ARG 11 14.236 -4.597 -2.611
106 HE ARG 11 HE ARG 11 16.255 -4.412 -1.016
107 1HH1 ARG 11 1HH2 ARG 11 17.716 -4.797 -3.580
108 2HH1 ARG 11 2HH2 ARG 11 17.315 -6.215 -4.488
109 1HH2 ARG 11 2HH1 ARG 11 14.767 -7.108 -2.232
110 2HH2 ARG 11 1HH1 ARG 11 15.559 -7.557 -3.697
111 NH1 ARG 12 NH2 ARG 12 17.036 -0.150 -5.707
112 NH2 ARG 12 NH1 ARG 12 15.896 1.004 -4.115
113 H ARG 12 H ARG 12 18.897 -0.439 -0.999
114 HA ARG 12 HA ARG 12 20.257 -1.541 -3.305
115 1HB ARG 12 2HB ARG 12 21.432 0.487 -1.364
116 2HB ARG 12 1HB ARG 12 21.844 0.266 -3.042
117 1HG ARG 12 2HG ARG 12 19.274 1.394 -1.926
118 2HG ARG 12 1HG ARG 12 20.446 2.227 -2.877
119 1HD ARG 12 2HD ARG 12 18.882 1.741 -4.569
120 2HD ARG 12 1HD ARG 12 19.753 0.208 -4.667
121 HE ARG 12 HE ARG 12 18.367 0.143 -2.718
122 1HH1 ARG 12 1HH2 ARG 12 17.842 -0.666 -5.995
123 2HH1 ARG 12 2HH2 ARG 12 16.291 -0.007 -6.370
124 1HH2 ARG 12 2HH1 ARG 12 15.895 1.385 -3.185
125 2HH2 ARG 12 1HH1 ARG 12 15.106 1.173 -4.719
126 CH2 TRP 13 CH2 TRP 13 20.086 0.465 5.354
127 H TRP 13 H TRP 13 21.028 -1.377 0.139
128 HA TRP 13 HA TRP 13 23.511 -2.835 -0.072
129 1HB TRP 13 2HB TRP 13 21.937 -3.229 2.440
130 2HB TRP 13 1HB TRP 13 23.617 -2.795 2.247
131 HD1 TRP 13 HD1 TRP 13 23.263 0.074 0.694
132 HE1 TRP 13 HE1 TRP 13 22.247 1.904 2.041
133 HE3 TRP 13 HE3 TRP 13 20.985 -2.626 4.283
134 HZ2 TRP 13 HZ2 TRP 13 20.612 2.300 4.414
135 HZ3 TRP 13 HZ3 TRP 13 19.705 -1.514 6.089
136 HH2 TRP 13 HH2 TRP 13 19.529 0.952 6.142
137 NH1 ARG 14 NH2 ARG 14 14.913 -6.045 1.986
138 NH2 ARG 14 NH1 ARG 14 15.082 -7.726 3.501
139 H ARG 14 H ARG 14 20.189 -3.703 0.470
140 HA ARG 14 HA ARG 14 20.467 -6.456 1.052
141 1HB ARG 14 2HB ARG 14 18.268 -4.766 -0.135
142 2HB ARG 14 1HB ARG 14 18.046 -6.498 -0.031
143 1HG ARG 14 2HG ARG 14 18.975 -5.061 2.421
144 2HG ARG 14 1HG ARG 14 17.316 -4.852 1.976
145 1HD ARG 14 2HD ARG 14 18.633 -7.550 2.317
146 2HD ARG 14 1HD ARG 14 17.661 -6.844 3.577
147 HE ARG 14 HE ARG 14 17.377 -7.772 1.211
148 1HH1 ARG 14 1HH2 ARG 14 15.296 -5.566 1.202
149 2HH1 ARG 14 2HH2 ARG 14 14.064 -5.700 2.409
150 1HH2 ARG 14 2HH1 ARG 14 15.573 -8.520 3.862
151 2HH2 ARG 14 1HH1 ARG 14 14.242 -7.432 3.983
152 H ALA 15 H ALA 15 20.285 -4.724 -1.978
153 HA ALA 15 HA ALA 15 20.151 -7.047 -3.697
154 1HB ALA 15 3HB ALA 15 19.461 -4.700 -4.369
155 2HB ALA 15 2HB ALA 15 21.153 -4.246 -4.373
156 3HB ALA 15 1HB ALA 15 20.564 -5.447 -5.510
157 NH1 ARG 16 NH2 ARG 16 26.454 -1.636 -6.007
158 NH2 ARG 16 NH1 ARG 16 24.560 -1.133 -7.150
159 H ARG 16 H ARG 16 22.685 -4.935 -2.551
160 HA ARG 16 HA ARG 16 24.858 -6.253 -3.936
161 1HB ARG 16 2HB ARG 16 24.541 -4.016 -1.958
162 2HB ARG 16 1HB ARG 16 26.091 -4.811 -1.977
163 1HG ARG 16 2HG ARG 16 26.330 -3.032 -3.538
164 2HG ARG 16 1HG ARG 16 26.205 -4.500 -4.514
165 1HD ARG 16 2HD ARG 16 23.644 -3.805 -4.506
166 2HD ARG 16 1HD ARG 16 24.252 -2.213 -4.270
167 HE ARG 16 HE ARG 16 24.066 -3.910 -6.130
168 1HH1 ARG 16 1HH2 ARG 16 26.993 -2.263 -5.442
169 2HH1 ARG 16 2HH2 ARG 16 26.860 -0.745 -6.246
170 1HH2 ARG 16 2HH1 ARG 16 23.633 -1.411 -7.408
171 2HH2 ARG 16 1HH1 ARG 16 24.910 -0.235 -7.442
172 H GLN 17 H GLN 17 23.187 -6.916 -1.041
173 HA GLN 17 HA GLN 17 25.281 -8.230 0.432
174 1HB GLN 17 2HB GLN 17 22.274 -8.121 0.544
175 2HB GLN 17 1HB GLN 17 23.045 -9.442 1.394
176 1HG GLN 17 2HG GLN 17 24.109 -8.042 2.934
177 2HG GLN 17 1HG GLN 17 24.160 -6.670 1.838
178 1HE2 GLN 17 2HE2 GLN 17 20.522 -7.431 3.614
179 2HE2 GLN 17 1HE2 GLN 17 21.466 -8.736 3.078
180 NH1 ARG 18 NH1 ARG 18 19.174 -11.738 -7.096
181 NH2 ARG 18 NH2 ARG 18 20.936 -12.581 -8.251
182 H ARG 18 H ARG 18 23.089 -9.209 -2.072
183 HA ARG 18 HA ARG 18 23.692 -12.062 -1.884
184 1HB ARG 18 2HB ARG 18 21.516 -11.031 -2.774
185 2HB ARG 18 1HB ARG 18 22.414 -10.546 -4.198
186 1HG ARG 18 2HG ARG 18 23.013 -12.979 -4.566
187 2HG ARG 18 1HG ARG 18 21.990 -13.390 -3.227
188 1HD ARG 18 2HD ARG 18 20.714 -13.611 -5.333
189 2HD ARG 18 1HD ARG 18 20.039 -12.213 -4.494
190 HE ARG 18 HE ARG 18 22.148 -11.674 -5.693
191 1HH1 ARG 18 1HH1 ARG 18 18.793 -11.318 -6.274
192 2HH1 ARG 18 2HH1 ARG 18 18.554 -11.930 -7.867
193 1HH2 ARG 18 1HH2 ARG 18 21.911 -12.826 -8.249
194 2HH2 ARG 18 2HH2 ARG 18 20.377 -12.785 -9.065
195 1H NH2 19 1HN NH2 18 25.186 -13.205 -3.210
196 2H NH2 19 2HN NH2 18 26.297 -12.436 -4.239
Start of MODEL 4
Raw file had 196 H/Q atoms
Start of MODEL 4
1 1H2 SIN 1 1H2 SIN 1 9.277 9.983 -2.119
2 2H2 SIN 1 2H2 SIN 1 10.886 9.598 -2.708
3 1H3 SIN 1 1H3 SIN 1 9.317 9.008 -4.485
4 2H3 SIN 1 2H3 SIN 1 8.284 8.144 -3.362
5 H THR 2 H THR 2 8.728 9.162 -0.185
6 HA THR 2 HA THR 2 10.526 7.733 1.470
7 HB THR 2 HB THR 2 8.324 7.260 2.865
8 HG1 THR 2 HG1 THR 2 7.133 7.352 0.818
9 1HG2 THR 2 3HG2 THR 2 8.768 10.133 1.853
10 2HG2 THR 2 2HG2 THR 2 7.953 9.686 3.344
11 3HG2 THR 2 1HG2 THR 2 9.680 9.416 3.173
12 NH1 ARG 3 NH2 ARG 3 9.209 2.293 -5.886
13 NH2 ARG 3 NH1 ARG 3 9.611 0.260 -5.002
14 H ARG 3 H ARG 3 7.959 6.574 -0.569
15 HA ARG 3 HA ARG 3 7.805 3.871 0.228
16 1HB ARG 3 2HB ARG 3 6.207 4.840 -1.320
17 2HB ARG 3 1HB ARG 3 7.442 5.214 -2.490
18 1HG ARG 3 2HG ARG 3 7.253 2.312 -1.739
19 2HG ARG 3 1HG ARG 3 5.833 2.956 -2.522
20 1HD ARG 3 2HD ARG 3 6.852 3.105 -4.556
21 2HD ARG 3 1HD ARG 3 8.319 3.801 -3.889
22 HE ARG 3 HE ARG 3 8.157 1.023 -3.189
23 1HH1 ARG 3 1HH2 ARG 3 8.767 3.189 -5.843
24 2HH1 ARG 3 2HH2 ARG 3 9.791 2.061 -6.665
25 1HH2 ARG 3 2HH1 ARG 3 9.479 -0.412 -4.274
26 2HH2 ARG 3 1HH1 ARG 3 10.189 0.042 -5.788
27 H GLN 4 H GLN 4 10.223 5.568 -1.536
28 HA GLN 4 HA GLN 4 12.047 3.321 -1.348
29 1HB GLN 4 2HB GLN 4 10.513 3.660 -3.768
30 2HB GLN 4 1HB GLN 4 12.143 4.127 -4.185
31 1HG GLN 4 2HG GLN 4 12.681 1.874 -2.737
32 2HG GLN 4 1HG GLN 4 11.074 1.472 -3.300
33 1HE2 GLN 4 2HE2 GLN 4 12.464 1.944 -6.815
34 2HE2 GLN 4 1HE2 GLN 4 11.374 2.879 -5.911
35 H ALA 5 H ALA 5 12.637 5.282 0.027
36 HA ALA 5 HA ALA 5 14.782 6.768 -1.417
37 1HB ALA 5 1HB ALA 5 12.666 7.866 0.510
38 2HB ALA 5 3HB ALA 5 14.232 8.648 0.396
39 3HB ALA 5 2HB ALA 5 13.199 8.563 -1.015
40 NH1 ARG 6 NH1 ARG 6 12.683 3.348 4.941
41 NH2 ARG 6 NH2 ARG 6 10.437 3.174 4.926
42 H ARG 6 H ARG 6 13.712 6.776 1.947
43 HA ARG 6 HA ARG 6 16.370 6.094 2.885
44 1HB ARG 6 2HB ARG 6 15.086 5.798 5.141
45 2HB ARG 6 1HB ARG 6 15.080 7.397 4.438
46 1HG ARG 6 2HG ARG 6 12.836 7.381 3.983
47 2HG ARG 6 1HG ARG 6 12.812 5.698 3.520
48 1HD ARG 6 2HD ARG 6 13.293 5.503 6.272
49 2HD ARG 6 1HD ARG 6 12.267 6.926 6.162
50 HE ARG 6 HE ARG 6 10.488 5.531 5.550
51 1HH1 ARG 6 2HH1 ARG 6 13.515 3.888 5.070
52 2HH1 ARG 6 1HH1 ARG 6 12.748 2.383 4.684
53 1HH2 ARG 6 1HH2 ARG 6 9.534 3.585 5.048
54 2HH2 ARG 6 2HH2 ARG 6 10.520 2.211 4.670
55 NH1 ARG 7 NH1 ARG 7 10.683 -0.369 -1.606
56 NH2 ARG 7 NH2 ARG 7 12.884 -0.485 -2.098
57 H ARG 7 H ARG 7 13.493 4.490 2.017
58 HA ARG 7 HA ARG 7 14.133 1.886 3.155
59 1HB ARG 7 2HB ARG 7 11.763 2.896 2.639
60 2HB ARG 7 1HB ARG 7 12.092 2.487 0.977
61 1HG ARG 7 2HG ARG 7 12.745 0.158 2.580
62 2HG ARG 7 1HG ARG 7 11.198 0.761 3.135
63 1HD ARG 7 2HD ARG 7 10.769 -0.804 1.327
64 2HD ARG 7 1HD ARG 7 10.447 0.810 0.693
65 HE ARG 7 HE ARG 7 13.200 -0.027 0.270
66 1HH1 ARG 7 2HH1 ARG 7 9.949 -0.233 -0.942
67 2HH1 ARG 7 1HH1 ARG 7 10.465 -0.555 -2.564
68 1HH2 ARG 7 1HH2 ARG 7 13.840 -0.443 -1.808
69 2HH2 ARG 7 2HH2 ARG 7 12.658 -0.665 -3.055
70 H ASN 8 H ASN 8 14.339 3.565 0.080
71 HA ASN 8 HA ASN 8 15.108 1.317 -1.518
72 1HB ASN 8 2HB ASN 8 14.273 3.352 -2.513
73 2HB ASN 8 1HB ASN 8 15.585 4.312 -1.846
74 1HD2 ASN 8 2HD2 ASN 8 17.931 3.145 -4.304
75 2HD2 ASN 8 1HD2 ASN 8 17.830 3.684 -2.696
76 NH1 ARG 9 NH1 ARG 9 18.751 5.710 4.048
77 NH2 ARG 9 NH2 ARG 9 20.770 6.491 4.668
78 H ARG 9 H ARG 9 16.884 3.656 0.393
79 HA ARG 9 HA ARG 9 19.528 2.985 -0.417
80 1HB ARG 9 2HB ARG 9 18.295 4.225 2.040
81 2HB ARG 9 1HB ARG 9 20.009 3.852 2.055
82 1HG ARG 9 2HG ARG 9 20.519 5.376 0.342
83 2HG ARG 9 1HG ARG 9 18.896 5.360 -0.316
84 1HD ARG 9 2HD ARG 9 19.204 7.489 0.776
85 2HD ARG 9 1HD ARG 9 18.119 6.573 1.803
86 HE ARG 9 HE ARG 9 20.958 7.220 2.360
87 1HH1 ARG 9 2HH1 ARG 9 18.048 5.569 3.354
88 2HH1 ARG 9 1HH1 ARG 9 18.602 5.382 4.981
89 1HH2 ARG 9 1HH2 ARG 9 21.627 6.958 4.446
90 2HH2 ARG 9 2HH2 ARG 9 20.607 6.156 5.595
91 H ALA 10 H ALA 10 17.492 1.734 2.155
92 HA ALA 10 HA ALA 10 19.419 -0.135 3.215
93 1HB ALA 10 1HB ALA 10 16.364 -0.162 3.339
94 2HB ALA 10 3HB ALA 10 17.416 -1.143 4.349
95 3HB ALA 10 2HB ALA 10 17.420 0.605 4.514
96 NH1 ARG 11 NH1 ARG 11 15.187 -5.336 1.063
97 NH2 ARG 11 NH2 ARG 11 13.089 -5.983 1.573
98 H ARG 11 H ARG 11 16.916 -0.275 0.794
99 HA ARG 11 HA ARG 11 17.133 -3.103 0.253
100 1HB ARG 11 2HB ARG 11 15.614 -0.783 -0.797
101 2HB ARG 11 1HB ARG 11 16.112 -1.864 -2.079
102 1HG ARG 11 2HG ARG 11 13.933 -2.564 -1.270
103 2HG ARG 11 1HG ARG 11 15.123 -3.783 -0.898
104 1HD ARG 11 2HD ARG 11 15.290 -2.722 1.471
105 2HD ARG 11 1HD ARG 11 13.905 -1.742 1.023
106 HE ARG 11 HE ARG 11 12.552 -3.612 1.339
107 1HH1 ARG 11 2HH1 ARG 11 15.844 -4.617 0.833
108 2HH1 ARG 11 1HH1 ARG 11 15.492 -6.286 1.134
109 1HH2 ARG 11 1HH2 ARG 11 12.126 -5.763 1.730
110 2HH2 ARG 11 2HH2 ARG 11 13.407 -6.929 1.649
111 NH1 ARG 12 NH1 ARG 12 17.628 0.952 -5.790
112 NH2 ARG 12 NH2 ARG 12 16.660 -0.151 -4.083
113 H ARG 12 H ARG 12 18.932 -0.340 -0.639
114 HA ARG 12 HA ARG 12 20.116 -1.360 -3.066
115 1HB ARG 12 2HB ARG 12 20.176 1.103 -1.652
116 2HB ARG 12 1HB ARG 12 21.817 0.522 -1.523
117 1HG ARG 12 2HG ARG 12 21.955 1.640 -3.555
118 2HG ARG 12 1HG ARG 12 21.548 0.045 -4.144
119 1HD ARG 12 2HD ARG 12 19.810 2.512 -3.954
120 2HD ARG 12 1HD ARG 12 20.020 1.407 -5.308
121 HE ARG 12 HE ARG 12 18.681 0.363 -2.875
122 1HH1 ARG 12 2HH1 ARG 12 18.394 1.467 -6.173
123 2HH1 ARG 12 1HH1 ARG 12 16.819 0.771 -6.348
124 1HH2 ARG 12 1HH2 ARG 12 16.688 -0.487 -3.143
125 2HH2 ARG 12 2HH2 ARG 12 15.858 -0.325 -4.655
126 CH2 TRP 13 CH2 TRP 13 23.189 -6.538 5.201
127 H TRP 13 H TRP 13 21.064 -1.288 0.322
128 HA TRP 13 HA TRP 13 23.568 -2.653 -0.034
129 1HB TRP 13 2HB TRP 13 23.103 -1.353 2.026
130 2HB TRP 13 1HB TRP 13 21.748 -2.403 2.420
131 HD1 TRP 13 HD1 TRP 13 25.633 -2.590 1.983
132 HE1 TRP 13 HE1 TRP 13 26.392 -4.483 3.428
133 HE3 TRP 13 HE3 TRP 13 21.189 -4.333 3.579
134 HZ2 TRP 13 HZ2 TRP 13 25.335 -6.554 5.104
135 HZ3 TRP 13 HZ3 TRP 13 21.059 -6.275 5.104
136 HH2 TRP 13 HH2 TRP 13 23.133 -7.386 5.868
137 NH1 ARG 14 NH1 ARG 14 14.946 -7.362 3.270
138 NH2 ARG 14 NH2 ARG 14 15.481 -9.154 2.010
139 H ARG 14 H ARG 14 20.319 -3.690 0.809
140 HA ARG 14 HA ARG 14 20.948 -6.491 1.069
141 1HB ARG 14 2HB ARG 14 18.409 -4.875 0.796
142 2HB ARG 14 1HB ARG 14 18.321 -6.614 0.580
143 1HG ARG 14 2HG ARG 14 19.605 -6.799 2.837
144 2HG ARG 14 1HG ARG 14 19.259 -5.091 3.038
145 1HD ARG 14 2HD ARG 14 17.561 -6.488 4.179
146 2HD ARG 14 1HD ARG 14 16.829 -5.556 2.878
147 HE ARG 14 HE ARG 14 17.704 -8.155 1.952
148 1HH1 ARG 14 2HH1 ARG 14 15.204 -6.507 3.720
149 2HH1 ARG 14 1HH1 ARG 14 14.007 -7.699 3.341
150 1HH2 ARG 14 1HH2 ARG 14 16.156 -9.677 1.488
151 2HH2 ARG 14 2HH2 ARG 14 14.541 -9.485 2.088
152 H ALA 15 H ALA 15 20.391 -4.439 -1.645
153 HA ALA 15 HA ALA 15 19.640 -6.545 -3.510
154 1HB ALA 15 3HB ALA 15 20.746 -3.736 -3.989
155 2HB ALA 15 2HB ALA 15 20.162 -4.801 -5.256
156 3HB ALA 15 1HB ALA 15 19.055 -4.215 -4.030
157 NH1 ARG 16 NH1 ARG 16 25.369 -6.694 -7.329
158 NH2 ARG 16 NH2 ARG 16 27.474 -6.929 -6.561
159 H ARG 16 H ARG 16 22.583 -5.073 -2.387
160 HA ARG 16 HA ARG 16 24.265 -6.612 -4.283
161 1HB ARG 16 2HB ARG 16 24.942 -4.533 -2.165
162 2HB ARG 16 1HB ARG 16 26.131 -5.276 -3.212
163 1HG ARG 16 2HG ARG 16 23.768 -3.548 -4.097
164 2HG ARG 16 1HG ARG 16 25.451 -3.073 -4.110
165 1HD ARG 16 2HD ARG 16 24.083 -5.114 -5.894
166 2HD ARG 16 1HD ARG 16 24.968 -3.674 -6.377
167 HE ARG 16 HE ARG 16 26.955 -5.006 -5.178
168 1HH1 ARG 16 2HH1 ARG 16 24.491 -6.216 -7.334
169 2HH1 ARG 16 1HH1 ARG 16 25.509 -7.483 -7.926
170 1HH2 ARG 16 1HH2 ARG 16 28.219 -6.628 -5.966
171 2HH2 ARG 16 2HH2 ARG 16 27.602 -7.715 -7.166
172 H GLN 17 H GLN 17 23.116 -6.785 -1.086
173 HA GLN 17 HA GLN 17 25.190 -8.746 -0.246
174 1HB GLN 17 2HB GLN 17 24.751 -6.973 1.357
175 2HB GLN 17 1HB GLN 17 23.026 -7.216 1.254
176 1HG GLN 17 2HG GLN 17 24.701 -9.582 2.105
177 2HG GLN 17 1HG GLN 17 24.511 -8.278 3.260
178 1HE2 GLN 17 2HE2 GLN 17 20.819 -8.726 3.199
179 2HE2 GLN 17 1HE2 GLN 17 21.889 -7.447 2.887
180 NH1 ARG 18 NH1 ARG 18 17.302 -10.517 3.716
181 NH2 ARG 18 NH2 ARG 18 18.666 -9.028 4.723
182 H ARG 18 H ARG 18 21.700 -8.438 0.149
183 HA ARG 18 HA ARG 18 21.295 -11.318 0.200
184 1HB ARG 18 2HB ARG 18 19.877 -9.265 1.257
185 2HB ARG 18 1HB ARG 18 18.999 -9.406 -0.243
186 1HG ARG 18 2HG ARG 18 17.803 -10.865 1.157
187 2HG ARG 18 1HG ARG 18 18.839 -11.961 0.274
188 1HD ARG 18 2HD ARG 18 18.802 -12.434 2.762
189 2HD ARG 18 1HD ARG 18 20.417 -12.080 2.169
190 HE ARG 18 HE ARG 18 20.423 -10.131 3.461
191 1HH1 ARG 18 1HH1 ARG 18 17.166 -11.287 3.092
192 2HH1 ARG 18 2HH1 ARG 18 16.520 -10.120 4.196
193 1HH2 ARG 18 1HH2 ARG 18 19.581 -8.651 4.870
194 2HH2 ARG 18 2HH2 ARG 18 17.879 -8.637 5.201
195 1H NH2 19 1HN NH2 18 19.937 -12.505 -1.402
196 2H NH2 19 2HN NH2 18 19.956 -12.026 -3.031
Start of MODEL 5
Raw file had 196 H/Q atoms
Start of MODEL 5
1 1H2 SIN 1 1H2 SIN 1 12.660 12.988 -0.292
2 2H2 SIN 1 2H2 SIN 1 13.852 14.115 0.340
3 1H3 SIN 1 1H3 SIN 1 15.284 13.750 -1.671
4 2H3 SIN 1 2H3 SIN 1 13.693 14.310 -2.149
5 H THR 2 H THR 2 15.686 13.346 1.273
6 HA THR 2 HA THR 2 16.809 10.767 1.038
7 HB THR 2 HB THR 2 16.969 12.653 3.466
8 HG1 THR 2 HG1 THR 2 17.453 13.544 1.400
9 1HG2 THR 2 2HG2 THR 2 18.833 10.477 2.325
10 2HG2 THR 2 1HG2 THR 2 19.307 11.619 3.573
11 3HG2 THR 2 3HG2 THR 2 18.064 10.425 3.904
12 NH1 ARG 3 NH2 ARG 3 10.069 15.340 5.002
13 NH2 ARG 3 NH1 ARG 3 8.995 14.061 6.517
14 H ARG 3 H ARG 3 14.219 11.908 3.040
15 HA ARG 3 HA ARG 3 14.050 9.834 4.959
16 1HB ARG 3 2HB ARG 3 11.693 10.585 5.232
17 2HB ARG 3 1HB ARG 3 12.803 11.933 5.138
18 1HG ARG 3 2HG ARG 3 12.163 11.712 2.474
19 2HG ARG 3 1HG ARG 3 10.700 11.055 3.178
20 1HD ARG 3 2HD ARG 3 11.914 13.766 3.876
21 2HD ARG 3 1HD ARG 3 10.504 13.508 2.850
22 HE ARG 3 HE ARG 3 9.940 12.193 5.262
23 1HH1 ARG 3 1HH2 ARG 3 10.652 15.426 4.195
24 2HH1 ARG 3 2HH2 ARG 3 9.722 16.160 5.459
25 1HH2 ARG 3 2HH1 ARG 3 8.751 13.160 6.876
26 2HH2 ARG 3 1HH1 ARG 3 8.655 14.889 6.964
27 H GLN 4 H GLN 4 13.140 9.902 1.649
28 HA GLN 4 HA GLN 4 11.734 7.282 1.826
29 1HB GLN 4 2HB GLN 4 11.026 9.578 0.461
30 2HB GLN 4 1HB GLN 4 11.886 8.724 -0.799
31 1HG GLN 4 2HG GLN 4 9.528 7.647 0.819
32 2HG GLN 4 1HG GLN 4 9.489 8.134 -0.868
33 1HE2 GLN 4 1HE2 GLN 4 11.128 6.870 -2.317
34 2HE2 GLN 4 2HE2 GLN 4 11.299 5.213 -1.991
35 H ALA 5 H ALA 5 14.470 8.929 0.444
36 HA ALA 5 HA ALA 5 15.377 6.867 -1.322
37 1HB ALA 5 1HB ALA 5 16.122 9.355 -1.187
38 2HB ALA 5 3HB ALA 5 17.211 8.829 0.088
39 3HB ALA 5 2HB ALA 5 17.366 8.165 -1.530
40 NH1 ARG 6 NH2 ARG 6 13.198 4.113 5.070
41 NH2 ARG 6 NH1 ARG 6 14.642 2.463 5.595
42 H ARG 6 H ARG 6 15.691 7.365 2.081
43 HA ARG 6 HA ARG 6 17.887 5.567 2.565
44 1HB ARG 6 2HB ARG 6 17.229 5.765 4.932
45 2HB ARG 6 1HB ARG 6 17.248 7.329 4.156
46 1HG ARG 6 2HG ARG 6 15.073 7.699 4.611
47 2HG ARG 6 1HG ARG 6 14.566 6.198 3.875
48 1HD ARG 6 2HD ARG 6 15.606 6.540 6.722
49 2HD ARG 6 1HD ARG 6 13.933 6.254 6.274
50 HE ARG 6 HE ARG 6 16.077 4.268 6.358
51 1HH1 ARG 6 1HH2 ARG 6 12.964 5.084 5.034
52 2HH1 ARG 6 2HH2 ARG 6 12.549 3.430 4.736
53 1HH2 ARG 6 2HH1 ARG 6 15.522 2.163 5.963
54 2HH2 ARG 6 1HH1 ARG 6 13.984 1.788 5.256
55 NH1 ARG 7 NH1 ARG 7 11.892 3.145 -1.356
56 NH2 ARG 7 NH2 ARG 7 12.800 1.212 -2.058
57 H ARG 7 H ARG 7 14.578 5.114 1.906
58 HA ARG 7 HA ARG 7 14.268 2.483 3.135
59 1HB ARG 7 2HB ARG 7 12.389 4.192 2.599
60 2HB ARG 7 1HB ARG 7 12.590 3.745 0.925
61 1HG ARG 7 2HG ARG 7 12.369 1.275 2.393
62 2HG ARG 7 1HG ARG 7 11.158 2.352 3.051
63 1HD ARG 7 2HD ARG 7 10.075 1.231 1.255
64 2HD ARG 7 1HD ARG 7 10.434 2.814 0.599
65 HE ARG 7 HE ARG 7 11.877 0.277 -0.024
66 1HH1 ARG 7 2HH1 ARG 7 11.372 3.676 -0.688
67 2HH1 ARG 7 1HH1 ARG 7 12.245 3.593 -2.178
68 1HH2 ARG 7 1HH2 ARG 7 12.980 0.237 -1.929
69 2HH2 ARG 7 2HH2 ARG 7 13.144 1.681 -2.872
70 H ASN 8 H ASN 8 14.878 3.884 0.001
71 HA ASN 8 HA ASN 8 15.086 1.364 -1.411
72 1HB ASN 8 2HB ASN 8 14.619 3.778 -2.388
73 2HB ASN 8 1HB ASN 8 16.359 4.006 -2.285
74 1HD2 ASN 8 2HD2 ASN 8 14.794 1.774 -5.272
75 2HD2 ASN 8 1HD2 ASN 8 13.811 2.541 -4.119
76 NH1 ARG 9 NH1 ARG 9 22.206 0.507 -0.120
77 NH2 ARG 9 NH2 ARG 9 23.998 0.028 1.151
78 H ARG 9 H ARG 9 17.222 3.414 0.354
79 HA ARG 9 HA ARG 9 19.684 2.149 -0.530
80 1HB ARG 9 2HB ARG 9 19.782 4.397 0.481
81 2HB ARG 9 1HB ARG 9 18.944 3.835 1.912
82 1HG ARG 9 2HG ARG 9 21.241 4.003 2.538
83 2HG ARG 9 1HG ARG 9 20.949 2.292 2.372
84 1HD ARG 9 2HD ARG 9 21.779 2.932 -0.207
85 2HD ARG 9 1HD ARG 9 22.662 4.107 0.745
86 HE ARG 9 HE ARG 9 23.836 2.354 1.860
87 1HH1 ARG 9 2HH1 ARG 9 21.507 1.145 -0.442
88 2HH1 ARG 9 1HH1 ARG 9 22.217 -0.431 -0.463
89 1HH2 ARG 9 1HH2 ARG 9 24.694 0.301 1.814
90 2HH2 ARG 9 2HH2 ARG 9 23.982 -0.908 0.798
91 H ALA 10 H ALA 10 17.238 1.717 1.893
92 HA ALA 10 HA ALA 10 18.631 -0.515 3.210
93 1HB ALA 10 2HB ALA 10 17.194 1.113 4.517
94 2HB ALA 10 1HB ALA 10 15.790 0.614 3.590
95 3HB ALA 10 3HB ALA 10 16.576 -0.520 4.676
96 NH1 ARG 11 NH2 ARG 11 14.461 -5.083 1.618
97 NH2 ARG 11 NH1 ARG 11 16.041 -6.177 0.438
98 H ARG 11 H ARG 11 17.604 -0.446 0.359
99 HA ARG 11 HA ARG 11 16.546 -3.203 0.370
100 1HB ARG 11 2HB ARG 11 15.293 -0.695 -0.807
101 2HB ARG 11 1HB ARG 11 15.261 -2.097 -1.852
102 1HG ARG 11 2HG ARG 11 14.362 -2.463 1.014
103 2HG ARG 11 1HG ARG 11 13.300 -1.607 -0.081
104 1HD ARG 11 2HD ARG 11 12.780 -4.048 -0.077
105 2HD ARG 11 1HD ARG 11 13.314 -3.515 -1.660
106 HE ARG 11 HE ARG 11 15.211 -4.869 -1.443
107 1HH1 ARG 11 1HH2 ARG 11 13.718 -4.416 1.665
108 2HH1 ARG 11 2HH2 ARG 11 14.740 -5.580 2.440
109 1HH2 ARG 11 2HH1 ARG 11 16.512 -6.352 -0.427
110 2HH2 ARG 11 1HH1 ARG 11 16.315 -6.667 1.265
111 NH1 ARG 12 NH1 ARG 12 25.044 0.976 -2.014
112 NH2 ARG 12 NH2 ARG 12 25.202 -1.128 -1.229
113 H ARG 12 H ARG 12 18.558 -0.779 -0.746
114 HA ARG 12 HA ARG 12 19.452 -2.237 -3.158
115 1HB ARG 12 2HB ARG 12 19.289 0.254 -3.235
116 2HB ARG 12 1HB ARG 12 20.387 0.385 -1.883
117 1HG ARG 12 2HG ARG 12 21.572 -1.267 -4.032
118 2HG ARG 12 1HG ARG 12 21.024 0.262 -4.673
119 1HD ARG 12 2HD ARG 12 23.184 0.838 -4.009
120 2HD ARG 12 1HD ARG 12 22.309 1.277 -2.549
121 HE ARG 12 HE ARG 12 23.046 -1.449 -2.312
122 1HH1 ARG 12 2HH1 ARG 12 24.548 1.682 -2.519
123 2HH1 ARG 12 1HH1 ARG 12 25.928 1.187 -1.598
124 1HH2 ARG 12 1HH2 ARG 12 24.829 -2.049 -1.126
125 2HH2 ARG 12 2HH2 ARG 12 26.086 -0.899 -0.820
126 CH2 TRP 13 CH2 TRP 13 19.990 -5.146 6.136
127 H TRP 13 H TRP 13 20.244 -1.531 0.171
128 HA TRP 13 HA TRP 13 22.955 -2.356 0.202
129 1HB TRP 13 2HB TRP 13 22.682 -2.479 2.628
130 2HB TRP 13 1HB TRP 13 21.626 -1.179 2.111
131 HD1 TRP 13 HD1 TRP 13 19.015 -2.661 1.176
132 HE1 TRP 13 HE1 TRP 13 17.704 -4.012 2.801
133 HE3 TRP 13 HE3 TRP 13 22.505 -3.450 4.619
134 HZ2 TRP 13 HZ2 TRP 13 18.008 -5.347 5.334
135 HZ3 TRP 13 HZ3 TRP 13 22.035 -4.776 6.678
136 HH2 TRP 13 HH2 TRP 13 19.775 -5.723 7.024
137 NH1 ARG 14 NH2 ARG 14 16.337 -9.244 1.643
138 NH2 ARG 14 NH1 ARG 14 16.752 -11.261 2.570
139 H ARG 14 H ARG 14 20.000 -4.190 0.357
140 HA ARG 14 HA ARG 14 21.397 -6.692 0.961
141 1HB ARG 14 2HB ARG 14 18.915 -5.780 1.506
142 2HB ARG 14 1HB ARG 14 18.541 -6.580 0.000
143 1HG ARG 14 2HG ARG 14 20.166 -8.052 2.101
144 2HG ARG 14 1HG ARG 14 18.452 -7.841 2.367
145 1HD ARG 14 2HD ARG 14 18.209 -8.792 -0.113
146 2HD ARG 14 1HD ARG 14 19.845 -9.380 0.162
147 HE ARG 14 HE ARG 14 18.984 -10.972 1.641
148 1HH1 ARG 14 1HH2 ARG 14 16.641 -8.451 1.116
149 2HH1 ARG 14 2HH2 ARG 14 15.400 -9.283 1.989
150 1HH2 ARG 14 2HH1 ARG 14 17.382 -12.017 2.753
151 2HH2 ARG 14 1HH1 ARG 14 15.815 -11.295 2.915
152 H ALA 15 H ALA 15 20.102 -4.948 -1.747
153 HA ALA 15 HA ALA 15 20.266 -7.069 -3.696
154 1HB ALA 15 3HB ALA 15 18.931 -4.892 -3.913
155 2HB ALA 15 2HB ALA 15 20.452 -4.072 -4.226
156 3HB ALA 15 1HB ALA 15 19.881 -5.315 -5.327
157 NH1 ARG 16 NH1 ARG 16 28.621 -2.379 -3.076
158 NH2 ARG 16 NH2 ARG 16 27.900 -0.424 -2.231
159 H ARG 16 H ARG 16 22.475 -4.826 -2.300
160 HA ARG 16 HA ARG 16 24.669 -5.564 -4.177
161 1HB ARG 16 2HB ARG 16 24.040 -3.194 -2.458
162 2HB ARG 16 1HB ARG 16 25.722 -3.622 -2.553
163 1HG ARG 16 2HG ARG 16 24.524 -3.667 -5.237
164 2HG ARG 16 1HG ARG 16 24.212 -2.135 -4.452
165 1HD ARG 16 2HD ARG 16 26.978 -3.403 -4.574
166 2HD ARG 16 1HD ARG 16 26.407 -2.200 -5.726
167 HE ARG 16 HE ARG 16 25.998 -0.717 -3.678
168 1HH1 ARG 16 2HH1 ARG 16 28.509 -3.166 -3.682
169 2HH1 ARG 16 1HH1 ARG 16 29.433 -2.312 -2.495
170 1HH2 ARG 16 1HH2 ARG 16 27.216 0.304 -2.183
171 2HH2 ARG 16 2HH2 ARG 16 28.723 -0.376 -1.665
172 H GLN 17 H GLN 17 23.388 -6.237 -1.175
173 HA GLN 17 HA GLN 17 24.127 -7.227 0.788
174 1HB GLN 17 2HB GLN 17 25.228 -9.376 0.381
175 2HB GLN 17 1HB GLN 17 24.045 -9.091 -0.873
176 1HG GLN 17 2HG GLN 17 25.730 -8.611 -2.518
177 2HG GLN 17 1HG GLN 17 26.995 -8.447 -1.306
178 1HE2 GLN 17 2HE2 GLN 17 25.813 -12.157 -2.540
179 2HE2 GLN 17 1HE2 GLN 17 24.876 -10.796 -2.925
180 NH1 ARG 18 NH2 ARG 18 30.244 -1.229 1.948
181 NH2 ARG 18 NH1 ARG 18 30.231 -0.734 -0.248
182 H ARG 18 H ARG 18 25.712 -4.932 -0.085
183 HA ARG 18 HA ARG 18 27.790 -5.018 1.889
184 1HB ARG 18 2HB ARG 18 28.657 -6.227 -0.422
185 2HB ARG 18 1HB ARG 18 29.006 -4.575 -0.854
186 1HG ARG 18 2HG ARG 18 30.004 -6.034 1.638
187 2HG ARG 18 1HG ARG 18 30.960 -5.666 0.218
188 1HD ARG 18 2HD ARG 18 29.843 -3.709 2.257
189 2HD ARG 18 1HD ARG 18 31.529 -3.975 1.828
190 HE ARG 18 HE ARG 18 30.473 -3.146 -0.553
191 1HH1 ARG 18 1HH2 ARG 18 30.295 -1.896 2.691
192 2HH1 ARG 18 2HH2 ARG 18 30.145 -0.255 2.157
193 1HH2 ARG 18 1HH1 ARG 18 30.276 -1.019 -1.206
194 2HH2 ARG 18 2HH1 ARG 18 30.131 0.234 -0.018
195 1H NH2 19 1HN NH2 18 27.526 -2.942 2.662
196 2H NH2 19 2HN NH2 18 27.299 -1.555 1.711
Start of MODEL 6
Raw file had 196 H/Q atoms
Start of MODEL 6
1 1H2 SIN 1 1H2 SIN 1 10.251 10.566 -1.469
2 2H2 SIN 1 2H2 SIN 1 10.430 12.181 -0.801
3 1H3 SIN 1 1H3 SIN 1 10.632 12.271 -3.282
4 2H3 SIN 1 2H3 SIN 1 11.911 11.072 -3.242
5 H THR 2 H THR 2 12.611 12.792 -0.142
6 HA THR 2 HA THR 2 14.722 10.945 0.343
7 HB THR 2 HB THR 2 14.110 13.555 1.853
8 HG1 THR 2 HG1 THR 2 14.116 13.595 -0.485
9 1HG2 THR 2 3HG2 THR 2 16.719 12.065 1.163
10 2HG2 THR 2 2HG2 THR 2 16.637 13.644 1.930
11 3HG2 THR 2 1HG2 THR 2 16.066 12.223 2.786
12 NH1 ARG 3 NH2 ARG 3 5.521 10.726 3.450
13 NH2 ARG 3 NH1 ARG 3 6.111 8.682 4.195
14 H ARG 3 H ARG 3 11.948 11.907 2.181
15 HA ARG 3 HA ARG 3 12.561 10.779 4.711
16 1HB ARG 3 2HB ARG 3 9.982 10.700 4.933
17 2HB ARG 3 1HB ARG 3 10.700 12.263 4.613
18 1HG ARG 3 2HG ARG 3 9.968 12.324 2.376
19 2HG ARG 3 1HG ARG 3 9.826 10.583 2.248
20 1HD ARG 3 2HD ARG 3 8.014 12.248 4.045
21 2HD ARG 3 1HD ARG 3 7.613 11.814 2.384
22 HE ARG 3 HE ARG 3 8.389 9.513 3.982
23 1HH1 ARG 3 1HH2 ARG 3 5.767 11.642 3.135
24 2HH1 ARG 3 2HH2 ARG 3 4.558 10.462 3.508
25 1HH2 ARG 3 2HH1 ARG 3 6.817 8.022 4.452
26 2HH2 ARG 3 1HH1 ARG 3 5.146 8.428 4.251
27 H GLN 4 H GLN 4 11.559 9.325 1.768
28 HA GLN 4 HA GLN 4 11.236 6.650 3.072
29 1HB GLN 4 2HB GLN 4 10.103 7.780 0.490
30 2HB GLN 4 1HB GLN 4 9.979 6.088 0.927
31 1HG GLN 4 2HG GLN 4 8.395 6.457 2.564
32 2HG GLN 4 1HG GLN 4 9.086 7.989 3.060
33 1HE2 GLN 4 2HE2 GLN 4 5.924 8.025 0.645
34 2HE2 GLN 4 1HE2 GLN 4 6.435 6.661 1.516
35 H ALA 5 H ALA 5 13.340 8.493 1.277
36 HA ALA 5 HA ALA 5 14.348 6.628 -0.628
37 1HB ALA 5 3HB ALA 5 15.765 8.916 0.794
38 2HB ALA 5 2HB ALA 5 16.378 8.087 -0.627
39 3HB ALA 5 1HB ALA 5 14.896 9.018 -0.732
40 NH1 ARG 6 NH1 ARG 6 18.867 2.485 6.223
41 NH2 ARG 6 NH2 ARG 6 19.514 1.970 4.130
42 H ARG 6 H ARG 6 14.758 6.843 2.780
43 HA ARG 6 HA ARG 6 17.246 5.443 3.037
44 1HB ARG 6 2HB ARG 6 16.186 6.790 4.863
45 2HB ARG 6 1HB ARG 6 14.896 5.615 4.977
46 1HG ARG 6 2HG ARG 6 16.546 5.214 6.749
47 2HG ARG 6 1HG ARG 6 16.544 3.857 5.651
48 1HD ARG 6 2HD ARG 6 18.498 6.095 5.075
49 2HD ARG 6 1HD ARG 6 18.846 5.063 6.449
50 HE ARG 6 HE ARG 6 18.987 4.304 3.642
51 1HH1 ARG 6 2HH1 ARG 6 18.523 3.145 6.891
52 2HH1 ARG 6 1HH1 ARG 6 19.060 1.545 6.502
53 1HH2 ARG 6 1HH2 ARG 6 19.671 2.231 3.178
54 2HH2 ARG 6 2HH2 ARG 6 19.700 1.036 4.428
55 NH1 ARG 7 NH1 ARG 7 14.285 -1.313 2.770
56 NH2 ARG 7 NH2 ARG 7 13.146 -3.221 2.401
57 H ARG 7 H ARG 7 13.978 4.423 2.489
58 HA ARG 7 HA ARG 7 14.366 1.636 3.195
59 1HB ARG 7 2HB ARG 7 12.104 2.756 3.201
60 2HB ARG 7 1HB ARG 7 12.228 2.983 1.470
61 1HG ARG 7 2HG ARG 7 10.890 1.029 1.721
62 2HG ARG 7 1HG ARG 7 12.461 0.416 1.268
63 1HD ARG 7 2HD ARG 7 12.781 0.341 3.978
64 2HD ARG 7 1HD ARG 7 11.030 0.254 3.906
65 HE ARG 7 HE ARG 7 11.179 -1.881 2.928
66 1HH1 ARG 7 2HH1 ARG 7 14.304 -0.344 3.011
67 2HH1 ARG 7 1HH1 ARG 7 15.137 -1.794 2.567
68 1HH2 ARG 7 1HH2 ARG 7 12.283 -3.724 2.359
69 2HH2 ARG 7 2HH2 ARG 7 14.007 -3.686 2.198
70 H ASN 8 H ASN 8 14.477 3.630 0.315
71 HA ASN 8 HA ASN 8 14.907 1.423 -1.487
72 1HB ASN 8 2HB ASN 8 14.803 3.044 -3.148
73 2HB ASN 8 1HB ASN 8 14.169 4.035 -1.857
74 1HD2 ASN 8 2HD2 ASN 8 18.042 4.726 -3.077
75 2HD2 ASN 8 1HD2 ASN 8 17.423 3.148 -3.181
76 NH1 ARG 9 NH1 ARG 9 18.786 8.421 -1.579
77 NH2 ARG 9 NH2 ARG 9 18.160 7.060 -3.261
78 H ARG 9 H ARG 9 16.883 3.504 0.440
79 HA ARG 9 HA ARG 9 19.446 2.786 -0.698
80 1HB ARG 9 2HB ARG 9 18.434 4.457 1.530
81 2HB ARG 9 1HB ARG 9 19.878 3.598 1.990
82 1HG ARG 9 2HG ARG 9 21.062 5.222 1.016
83 2HG ARG 9 1HG ARG 9 20.613 4.532 -0.522
84 1HD ARG 9 2HD ARG 9 18.639 6.448 0.735
85 2HD ARG 9 1HD ARG 9 20.139 7.103 0.096
86 HE ARG 9 HE ARG 9 18.779 5.262 -1.728
87 1HH1 ARG 9 2HH1 ARG 9 19.139 8.557 -0.654
88 2HH1 ARG 9 1HH1 ARG 9 18.557 9.211 -2.147
89 1HH2 ARG 9 1HH2 ARG 9 18.031 6.142 -3.635
90 2HH2 ARG 9 2HH2 ARG 9 17.935 7.862 -3.815
91 H ALA 10 H ALA 10 17.339 1.550 1.768
92 HA ALA 10 HA ALA 10 19.288 -0.341 2.831
93 1HB ALA 10 3HB ALA 10 16.312 0.177 3.200
94 2HB ALA 10 2HB ALA 10 16.970 -1.348 3.772
95 3HB ALA 10 1HB ALA 10 17.565 0.166 4.426
96 NH1 ARG 11 NH1 ARG 11 16.491 -5.084 -1.964
97 NH2 ARG 11 NH2 ARG 11 15.445 -5.180 -3.953
98 H ARG 11 H ARG 11 16.739 -0.312 0.488
99 HA ARG 11 HA ARG 11 16.840 -3.145 -0.088
100 1HB ARG 11 2HB ARG 11 15.705 -0.692 -1.465
101 2HB ARG 11 1HB ARG 11 15.801 -2.173 -2.383
102 1HG ARG 11 2HG ARG 11 14.442 -1.949 0.335
103 2HG ARG 11 1HG ARG 11 13.587 -1.786 -1.180
104 1HD ARG 11 2HD ARG 11 15.017 -4.296 -0.176
105 2HD ARG 11 1HD ARG 11 13.300 -4.068 -0.413
106 HE ARG 11 HE ARG 11 13.618 -4.068 -2.808
107 1HH1 ARG 11 2HH1 ARG 11 16.510 -4.824 -1.001
108 2HH1 ARG 11 1HH1 ARG 11 17.281 -5.541 -2.372
109 1HH2 ARG 11 1HH2 ARG 11 14.649 -4.993 -4.527
110 2HH2 ARG 11 2HH2 ARG 11 16.247 -5.636 -4.340
111 NH1 ARG 12 NH2 ARG 12 22.016 2.111 -6.259
112 NH2 ARG 12 NH1 ARG 12 24.254 2.355 -6.373
113 H ARG 12 H ARG 12 18.697 -0.384 -0.837
114 HA ARG 12 HA ARG 12 19.996 -1.383 -3.216
115 1HB ARG 12 2HB ARG 12 19.830 1.101 -2.350
116 2HB ARG 12 1HB ARG 12 21.187 0.685 -1.320
117 1HG ARG 12 2HG ARG 12 22.525 0.041 -3.286
118 2HG ARG 12 1HG ARG 12 21.166 0.383 -4.344
119 1HD ARG 12 2HD ARG 12 21.260 2.753 -3.864
120 2HD ARG 12 1HD ARG 12 22.322 2.499 -2.485
121 HE ARG 12 HE ARG 12 24.147 2.369 -3.941
122 1HH1 ARG 12 1HH2 ARG 12 21.177 2.024 -5.723
123 2HH1 ARG 12 2HH2 ARG 12 21.974 2.096 -7.259
124 1HH2 ARG 12 2HH1 ARG 12 25.140 2.456 -5.921
125 2HH2 ARG 12 1HH1 ARG 12 24.200 2.338 -7.371
126 CH2 TRP 13 CH2 TRP 13 19.511 -4.322 5.250
127 H TRP 13 H TRP 13 21.006 -1.073 0.179
128 HA TRP 13 HA TRP 13 23.424 -2.610 -0.291
129 1HB TRP 13 2HB TRP 13 23.760 -2.578 2.140
130 2HB TRP 13 1HB TRP 13 23.302 -1.003 1.560
131 HD1 TRP 13 HD1 TRP 13 21.954 0.308 3.155
132 HE1 TRP 13 HE1 TRP 13 20.314 -0.250 4.936
133 HE3 TRP 13 HE3 TRP 13 21.702 -4.759 2.722
134 HZ2 TRP 13 HZ2 TRP 13 18.990 -2.428 6.112
135 HZ3 TRP 13 HZ3 TRP 13 20.225 -6.047 4.195
136 HH2 TRP 13 HH2 TRP 13 18.862 -4.889 5.901
137 NH1 ARG 14 NH1 ARG 14 18.146 -9.696 -0.204
138 NH2 ARG 14 NH2 ARG 14 18.534 -9.062 -2.330
139 H ARG 14 H ARG 14 20.148 -3.424 0.350
140 HA ARG 14 HA ARG 14 20.657 -6.126 1.334
141 1HB ARG 14 2HB ARG 14 18.508 -4.753 1.704
142 2HB ARG 14 1HB ARG 14 18.112 -5.063 0.028
143 1HG ARG 14 2HG ARG 14 18.842 -7.579 1.333
144 2HG ARG 14 1HG ARG 14 17.685 -6.738 2.337
145 1HD ARG 14 2HD ARG 14 16.402 -8.109 0.809
146 2HD ARG 14 1HD ARG 14 16.219 -6.453 0.260
147 HE ARG 14 HE ARG 14 17.454 -6.987 -1.675
148 1HH1 ARG 14 2HH1 ARG 14 17.785 -9.506 0.709
149 2HH1 ARG 14 1HH1 ARG 14 18.577 -10.577 -0.397
150 1HH2 ARG 14 1HH2 ARG 14 18.472 -8.382 -3.060
151 2HH2 ARG 14 2HH2 ARG 14 18.963 -9.948 -2.506
152 H ALA 15 H ALA 15 19.922 -4.555 -1.707
153 HA ALA 15 HA ALA 15 19.813 -6.965 -3.314
154 1HB ALA 15 3HB ALA 15 20.262 -4.035 -4.051
155 2HB ALA 15 2HB ALA 15 20.022 -5.316 -5.231
156 3HB ALA 15 1HB ALA 15 18.735 -4.904 -4.111
157 NH1 ARG 16 NH2 ARG 16 26.053 -1.051 -5.690
158 NH2 ARG 16 NH1 ARG 16 25.225 0.279 -4.069
159 H ARG 16 H ARG 16 22.236 -4.870 -2.092
160 HA ARG 16 HA ARG 16 24.409 -5.753 -3.834
161 1HB ARG 16 2HB ARG 16 24.123 -3.474 -2.564
162 2HB ARG 16 1HB ARG 16 24.695 -4.339 -1.164
163 1HG ARG 16 2HG ARG 16 26.761 -3.665 -1.927
164 2HG ARG 16 1HG ARG 16 26.636 -5.081 -2.949
165 1HD ARG 16 2HD ARG 16 27.236 -3.134 -4.330
166 2HD ARG 16 1HD ARG 16 25.594 -3.624 -4.747
167 HE ARG 16 HE ARG 16 25.426 -1.701 -2.663
168 1HH1 ARG 16 1HH2 ARG 16 26.396 -1.939 -5.995
169 2HH1 ARG 16 2HH2 ARG 16 26.004 -0.288 -6.333
170 1HH2 ARG 16 2HH1 ARG 16 24.927 0.415 -3.125
171 2HH2 ARG 16 1HH1 ARG 16 25.182 1.035 -4.722
172 H GLN 17 H GLN 17 23.031 -6.537 -0.769
173 HA GLN 17 HA GLN 17 24.935 -8.819 -0.388
174 1HB GLN 17 2HB GLN 17 23.550 -7.097 1.730
175 2HB GLN 17 1HB GLN 17 24.506 -8.517 2.078
176 1HG GLN 17 2HG GLN 17 26.387 -7.256 2.122
177 2HG GLN 17 1HG GLN 17 26.176 -6.872 0.425
178 1HE2 GLN 17 2HE2 GLN 17 25.616 -3.504 1.203
179 2HE2 GLN 17 1HE2 GLN 17 26.285 -4.658 0.154
180 NH1 ARG 18 NH2 ARG 18 23.698 -12.472 -4.996
181 NH2 ARG 18 NH1 ARG 18 22.318 -13.441 -6.487
182 H ARG 18 H ARG 18 23.242 -9.648 -1.893
183 HA ARG 18 HA ARG 18 20.549 -10.119 -1.127
184 1HB ARG 18 2HB ARG 18 22.416 -11.678 -2.944
185 2HB ARG 18 1HB ARG 18 20.704 -12.027 -2.820
186 1HG ARG 18 2HG ARG 18 20.112 -10.263 -4.129
187 2HG ARG 18 1HG ARG 18 21.156 -9.153 -3.271
188 1HD ARG 18 2HD ARG 18 21.938 -9.278 -5.558
189 2HD ARG 18 1HD ARG 18 23.126 -10.127 -4.589
190 HE ARG 18 HE ARG 18 21.045 -11.385 -6.332
191 1HH1 ARG 18 1HH2 ARG 18 23.953 -11.703 -4.412
192 2HH1 ARG 18 2HH2 ARG 18 24.271 -13.292 -5.015
193 1HH2 ARG 18 1HH1 ARG 18 21.500 -13.415 -7.059
194 2HH2 ARG 18 2HH1 ARG 18 22.904 -14.251 -6.487
195 1H NH2 19 1HN NH2 18 19.616 -11.583 0.274
196 2H NH2 19 2HN NH2 18 20.440 -12.849 1.050
Start of MODEL 7
Raw file had 196 H/Q atoms
Start of MODEL 7
1 1H2 SIN 1 1H2 SIN 1 8.370 9.557 4.686
2 2H2 SIN 1 2H2 SIN 1 8.001 8.581 3.273
3 1H3 SIN 1 1H3 SIN 1 6.348 8.334 5.223
4 2H3 SIN 1 2H3 SIN 1 7.624 7.558 6.136
5 H THR 2 H THR 2 9.574 7.975 6.393
6 HA THR 2 HA THR 2 12.205 7.582 5.321
7 HB THR 2 HB THR 2 10.870 6.914 8.004
8 HG1 THR 2 HG1 THR 2 12.901 8.678 7.098
9 1HG2 THR 2 2HG2 THR 2 13.832 6.608 7.228
10 2HG2 THR 2 1HG2 THR 2 13.220 6.558 8.871
11 3HG2 THR 2 3HG2 THR 2 12.803 5.284 7.741
12 NH1 ARG 3 NH1 ARG 3 11.722 3.685 10.104
13 NH2 ARG 3 NH2 ARG 3 11.116 5.821 10.494
14 H ARG 3 H ARG 3 9.545 5.452 6.004
15 HA ARG 3 HA ARG 3 10.968 2.968 5.548
16 1HB ARG 3 2HB ARG 3 7.967 3.153 5.215
17 2HB ARG 3 1HB ARG 3 8.918 1.896 5.964
18 1HG ARG 3 2HG ARG 3 8.334 4.645 7.149
19 2HG ARG 3 1HG ARG 3 7.641 3.127 7.658
20 1HD ARG 3 2HD ARG 3 9.446 2.566 8.932
21 2HD ARG 3 1HD ARG 3 10.611 3.060 7.712
22 HE ARG 3 HE ARG 3 9.389 5.388 8.825
23 1HH1 ARG 3 2HH1 ARG 3 11.593 2.818 9.622
24 2HH1 ARG 3 1HH1 ARG 3 12.456 3.778 10.776
25 1HH2 ARG 3 1HH2 ARG 3 10.519 6.601 10.311
26 2HH2 ARG 3 2HH2 ARG 3 11.854 5.900 11.164
27 H GLN 4 H GLN 4 10.585 5.261 3.426
28 HA GLN 4 HA GLN 4 10.164 3.427 1.105
29 1HB GLN 4 2HB GLN 4 9.181 6.279 1.523
30 2HB GLN 4 1HB GLN 4 9.247 5.535 -0.063
31 1HG GLN 4 2HG GLN 4 7.609 3.894 0.485
32 2HG GLN 4 1HG GLN 4 7.769 4.157 2.212
33 1HE2 GLN 4 2HE2 GLN 4 4.695 5.882 0.835
34 2HE2 GLN 4 1HE2 GLN 4 5.292 4.303 0.657
35 H ALA 5 H ALA 5 11.369 6.611 2.049
36 HA ALA 5 HA ALA 5 13.322 6.799 -0.060
37 1HB ALA 5 3HB ALA 5 13.021 8.339 2.555
38 2HB ALA 5 2HB ALA 5 14.122 8.789 1.262
39 3HB ALA 5 1HB ALA 5 12.389 8.813 0.987
40 NH1 ARG 6 NH1 ARG 6 14.710 8.740 8.754
41 NH2 ARG 6 NH2 ARG 6 14.718 10.856 7.998
42 H ARG 6 H ARG 6 13.818 6.552 3.456
43 HA ARG 6 HA ARG 6 16.587 5.780 3.182
44 1HB ARG 6 2HB ARG 6 14.793 5.377 5.614
45 2HB ARG 6 1HB ARG 6 16.542 5.495 5.600
46 1HG ARG 6 2HG ARG 6 15.990 7.866 4.393
47 2HG ARG 6 1HG ARG 6 14.488 7.676 5.272
48 1HD ARG 6 2HD ARG 6 16.012 7.234 7.364
49 2HD ARG 6 1HD ARG 6 17.303 7.889 6.372
50 HE ARG 6 HE ARG 6 16.015 9.980 6.153
51 1HH1 ARG 6 2HH1 ARG 6 14.965 7.778 8.670
52 2HH1 ARG 6 1HH1 ARG 6 14.172 9.042 9.541
53 1HH2 ARG 6 1HH2 ARG 6 14.986 11.536 7.316
54 2HH2 ARG 6 2HH2 ARG 6 14.180 11.131 8.795
55 NH1 ARG 7 NH2 ARG 7 13.461 -2.689 2.034
56 NH2 ARG 7 NH1 ARG 7 15.683 -2.429 2.311
57 H ARG 7 H ARG 7 13.785 4.122 2.658
58 HA ARG 7 HA ARG 7 14.769 1.456 3.449
59 1HB ARG 7 2HB ARG 7 12.388 2.087 3.809
60 2HB ARG 7 1HB ARG 7 12.193 2.377 2.097
61 1HG ARG 7 2HG ARG 7 11.277 0.189 2.586
62 2HG ARG 7 1HG ARG 7 12.741 -0.066 1.673
63 1HD ARG 7 2HD ARG 7 12.962 -0.014 4.689
64 2HD ARG 7 1HD ARG 7 12.257 -1.436 3.943
65 HE ARG 7 HE ARG 7 15.049 -0.614 3.809
66 1HH1 ARG 7 1HH2 ARG 7 12.521 -2.413 2.236
67 2HH1 ARG 7 2HH2 ARG 7 13.635 -3.448 1.408
68 1HH2 ARG 7 2HH1 ARG 7 16.457 -1.953 2.729
69 2HH2 ARG 7 1HH1 ARG 7 15.845 -3.188 1.680
70 H ASN 8 H ASN 8 14.362 3.541 0.707
71 HA ASN 8 HA ASN 8 14.730 1.608 -1.390
72 1HB ASN 8 2HB ASN 8 13.763 3.928 -1.711
73 2HB ASN 8 1HB ASN 8 15.374 4.591 -1.467
74 1HD2 ASN 8 2HD2 ASN 8 16.580 3.509 -4.644
75 2HD2 ASN 8 1HD2 ASN 8 17.047 3.986 -3.082
76 NH1 ARG 9 NH1 ARG 9 21.146 2.492 2.911
77 NH2 ARG 9 NH2 ARG 9 20.113 1.577 4.688
78 H ARG 9 H ARG 9 16.921 3.811 0.278
79 HA ARG 9 HA ARG 9 19.288 2.966 -1.168
80 1HB ARG 9 2HB ARG 9 20.500 4.065 0.818
81 2HB ARG 9 1HB ARG 9 19.419 5.097 -0.079
82 1HG ARG 9 2HG ARG 9 18.071 5.470 1.675
83 2HG ARG 9 1HG ARG 9 17.950 3.776 2.079
84 1HD ARG 9 2HD ARG 9 20.595 4.963 2.790
85 2HD ARG 9 1HD ARG 9 19.229 5.674 3.623
86 HE ARG 9 HE ARG 9 18.814 3.631 4.715
87 1HH1 ARG 9 2HH1 ARG 9 21.266 3.243 2.264
88 2HH1 ARG 9 1HH1 ARG 9 21.717 1.674 2.836
89 1HH2 ARG 9 1HH2 ARG 9 19.429 1.623 5.415
90 2HH2 ARG 9 2HH2 ARG 9 20.695 0.769 4.597
91 H ALA 10 H ALA 10 17.557 1.896 1.634
92 HA ALA 10 HA ALA 10 19.568 0.051 2.637
93 1HB ALA 10 2HB ALA 10 16.557 0.177 3.091
94 2HB ALA 10 1HB ALA 10 17.668 -0.798 4.038
95 3HB ALA 10 3HB ALA 10 17.757 0.954 4.102
96 NH1 ARG 11 NH1 ARG 11 11.642 0.468 -2.413
97 NH2 ARG 11 NH2 ARG 11 12.078 1.568 -0.494
98 H ARG 11 H ARG 11 17.101 0.057 0.252
99 HA ARG 11 HA ARG 11 16.869 -2.816 -0.113
100 1HB ARG 11 2HB ARG 11 15.671 -0.387 -1.228
101 2HB ARG 11 1HB ARG 11 16.141 -1.444 -2.538
102 1HG ARG 11 2HG ARG 11 14.781 -3.241 -1.712
103 2HG ARG 11 1HG ARG 11 14.551 -2.460 -0.161
104 1HD ARG 11 2HD ARG 11 13.564 -1.261 -2.781
105 2HD ARG 11 1HD ARG 11 12.555 -2.245 -1.723
106 HE ARG 11 HE ARG 11 13.590 -0.294 -0.046
107 1HH1 ARG 11 2HH1 ARG 11 11.790 -0.310 -3.022
108 2HH1 ARG 11 1HH1 ARG 11 11.002 1.192 -2.672
109 1HH2 ARG 11 1HH2 ARG 11 12.565 1.634 0.375
110 2HH2 ARG 11 2HH2 ARG 11 11.434 2.285 -0.764
111 NH1 ARG 12 NH1 ARG 12 20.506 0.816 -8.025
112 NH2 ARG 12 NH2 ARG 12 22.631 0.364 -8.628
113 H ARG 12 H ARG 12 18.775 -0.200 -1.385
114 HA ARG 12 HA ARG 12 20.031 -1.610 -3.555
115 1HB ARG 12 2HB ARG 12 20.003 0.970 -3.034
116 2HB ARG 12 1HB ARG 12 21.318 0.635 -1.931
117 1HG ARG 12 2HG ARG 12 22.515 1.134 -3.870
118 2HG ARG 12 1HG ARG 12 22.407 -0.607 -4.013
119 1HD ARG 12 2HD ARG 12 20.320 -0.282 -5.446
120 2HD ARG 12 1HD ARG 12 20.634 1.453 -5.394
121 HE ARG 12 HE ARG 12 23.005 0.092 -6.232
122 1HH1 ARG 12 2HH1 ARG 12 19.808 0.924 -7.317
123 2HH1 ARG 12 1HH1 ARG 12 20.267 0.946 -8.987
124 1HH2 ARG 12 1HH2 ARG 12 23.571 0.125 -8.384
125 2HH2 ARG 12 2HH2 ARG 12 22.382 0.497 -9.587
126 CH2 TRP 13 CH2 TRP 13 21.786 -5.754 5.315
127 H TRP 13 H TRP 13 20.815 -1.013 -0.191
128 HA TRP 13 HA TRP 13 23.297 -2.389 -0.054
129 1HB TRP 13 2HB TRP 13 22.625 -0.860 1.731
130 2HB TRP 13 1HB TRP 13 21.142 -1.751 2.023
131 HD1 TRP 13 HD1 TRP 13 24.953 -1.988 2.539
132 HE1 TRP 13 HE1 TRP 13 25.324 -3.748 4.287
133 HE3 TRP 13 HE3 TRP 13 20.254 -3.744 3.057
134 HZ2 TRP 13 HZ2 TRP 13 23.881 -5.713 5.783
135 HZ3 TRP 13 HZ3 TRP 13 19.756 -5.567 4.646
136 HH2 TRP 13 HH2 TRP 13 21.566 -6.552 6.008
137 NH1 ARG 14 NH1 ARG 14 15.262 -4.782 3.874
138 NH2 ARG 14 NH2 ARG 14 17.120 -4.345 5.074
139 H ARG 14 H ARG 14 19.968 -3.353 0.318
140 HA ARG 14 HA ARG 14 20.375 -6.042 1.178
141 1HB ARG 14 2HB ARG 14 18.212 -4.526 1.091
142 2HB ARG 14 1HB ARG 14 18.000 -5.207 -0.506
143 1HG ARG 14 2HG ARG 14 17.467 -7.299 0.285
144 2HG ARG 14 1HG ARG 14 18.591 -7.219 1.627
145 1HD ARG 14 2HD ARG 14 16.003 -5.620 1.534
146 2HD ARG 14 1HD ARG 14 16.166 -7.176 2.348
147 HE ARG 14 HE ARG 14 18.250 -5.690 3.384
148 1HH1 ARG 14 2HH1 ARG 14 14.812 -5.214 3.093
149 2HH1 ARG 14 1HH1 ARG 14 14.726 -4.244 4.524
150 1HH2 ARG 14 1HH2 ARG 14 18.106 -4.442 5.216
151 2HH2 ARG 14 2HH2 ARG 14 16.571 -3.811 5.716
152 H ALA 15 H ALA 15 20.204 -4.518 -1.941
153 HA ALA 15 HA ALA 15 20.114 -6.899 -3.561
154 1HB ALA 15 2HB ALA 15 19.471 -4.558 -4.310
155 2HB ALA 15 1HB ALA 15 21.181 -4.154 -4.351
156 3HB ALA 15 3HB ALA 15 20.546 -5.385 -5.424
157 NH1 ARG 16 NH1 ARG 16 29.617 -7.896 -1.772
158 NH2 ARG 16 NH2 ARG 16 31.092 -6.335 -2.460
159 H ARG 16 H ARG 16 22.596 -5.328 -1.837
160 HA ARG 16 HA ARG 16 24.801 -6.484 -3.418
161 1HB ARG 16 2HB ARG 16 24.638 -4.174 -1.984
162 2HB ARG 16 1HB ARG 16 25.267 -5.203 -0.721
163 1HG ARG 16 2HG ARG 16 26.529 -4.893 -3.485
164 2HG ARG 16 1HG ARG 16 27.050 -4.026 -2.054
165 1HD ARG 16 2HD ARG 16 27.398 -6.341 -0.942
166 2HD ARG 16 1HD ARG 16 27.212 -7.018 -2.561
167 HE ARG 16 HE ARG 16 29.131 -4.890 -2.616
168 1HH1 ARG 16 2HH1 ARG 16 28.681 -8.171 -1.552
169 2HH1 ARG 16 1HH1 ARG 16 30.365 -8.554 -1.681
170 1HH2 ARG 16 1HH2 ARG 16 31.291 -5.406 -2.771
171 2HH2 ARG 16 2HH2 ARG 16 31.833 -7.001 -2.365
172 H GLN 17 H GLN 17 23.561 -6.648 -0.142
173 HA GLN 17 HA GLN 17 25.075 -9.031 0.578
174 1HB GLN 17 2HB GLN 17 23.882 -8.797 2.755
175 2HB GLN 17 1HB GLN 17 24.568 -7.273 2.232
176 1HG GLN 17 2HG GLN 17 22.471 -6.452 2.670
177 2HG GLN 17 1HG GLN 17 22.122 -7.065 1.067
178 1HE2 GLN 17 2HE2 GLN 17 19.892 -9.523 2.174
179 2HE2 GLN 17 1HE2 GLN 17 20.643 -8.759 0.857
180 NH1 ARG 18 NH1 ARG 18 20.996 -9.324 -7.656
181 NH2 ARG 18 NH2 ARG 18 19.931 -7.574 -6.711
182 H ARG 18 H ARG 18 22.672 -8.890 -1.485
183 HA ARG 18 HA ARG 18 20.588 -10.563 -0.654
184 1HB ARG 18 2HB ARG 18 20.274 -11.065 -3.073
185 2HB ARG 18 1HB ARG 18 20.559 -9.361 -2.787
186 1HG ARG 18 2HG ARG 18 22.887 -9.545 -3.514
187 2HG ARG 18 1HG ARG 18 22.792 -11.291 -3.575
188 1HD ARG 18 2HD ARG 18 22.609 -10.314 -5.841
189 2HD ARG 18 1HD ARG 18 21.138 -11.185 -5.409
190 HE ARG 18 HE ARG 18 20.661 -8.562 -4.607
191 1HH1 ARG 18 1HH1 ARG 18 21.532 -10.164 -7.570
192 2HH1 ARG 18 2HH1 ARG 18 20.737 -8.985 -8.560
193 1HH2 ARG 18 1HH2 ARG 18 19.648 -7.067 -5.898
194 2HH2 ARG 18 2HH2 ARG 18 19.679 -7.244 -7.621
195 1H NH2 19 1HN NH2 18 23.874 -11.553 -1.412
196 2H NH2 19 2HN NH2 18 23.610 -13.222 -1.243
Start of MODEL 8
Raw file had 196 H/Q atoms
Start of MODEL 8
1 1H2 SIN 1 1H2 SIN 1 8.969 5.907 -4.357
2 2H2 SIN 1 2H2 SIN 1 10.057 7.049 -3.587
3 1H3 SIN 1 1H3 SIN 1 10.042 7.677 -5.911
4 2H3 SIN 1 2H3 SIN 1 10.157 6.011 -6.446
5 H THR 2 H THR 2 9.470 3.778 -4.339
6 HA THR 2 HA THR 2 11.354 2.801 -2.432
7 HB THR 2 HB THR 2 10.086 1.091 -4.648
8 HG1 THR 2 HG1 THR 2 8.293 1.110 -3.227
9 1HG2 THR 2 1HG2 THR 2 10.704 0.677 -1.657
10 2HG2 THR 2 3HG2 THR 2 9.792 -0.462 -2.635
11 3HG2 THR 2 2HG2 THR 2 11.485 -0.170 -2.982
12 NH1 ARG 3 NH2 ARG 3 11.479 -0.903 -8.853
13 NH2 ARG 3 NH1 ARG 3 10.624 -0.295 -10.892
14 H ARG 3 H ARG 3 12.003 3.897 -5.510
15 HA ARG 3 HA ARG 3 14.315 2.058 -5.913
16 1HB ARG 3 2HB ARG 3 12.938 4.032 -7.773
17 2HB ARG 3 1HB ARG 3 14.372 3.122 -8.208
18 1HG ARG 3 2HG ARG 3 13.260 1.053 -8.195
19 2HG ARG 3 1HG ARG 3 12.015 1.595 -7.075
20 1HD ARG 3 2HD ARG 3 11.208 3.075 -8.979
21 2HD ARG 3 1HD ARG 3 12.150 2.132 -10.019
22 HE ARG 3 HE ARG 3 9.964 1.932 -8.913
23 1HH1 ARG 3 1HH2 ARG 3 11.682 -0.655 -7.900
24 2HH1 ARG 3 2HH2 ARG 3 11.759 -1.799 -9.207
25 1HH2 ARG 3 2HH1 ARG 3 10.206 0.413 -11.458
26 2HH2 ARG 3 1HH1 ARG 3 10.873 -1.166 -11.303
27 H GLN 4 H GLN 4 13.801 4.894 -4.371
28 HA GLN 4 HA GLN 4 16.641 5.592 -4.418
29 1HB GLN 4 2HB GLN 4 14.958 6.916 -6.264
30 2HB GLN 4 1HB GLN 4 15.077 8.059 -4.944
31 1HG GLN 4 2HG GLN 4 17.488 6.724 -6.260
32 2HG GLN 4 1HG GLN 4 16.866 8.299 -6.726
33 1HE2 GLN 4 2HE2 GLN 4 19.045 7.912 -3.312
34 2HE2 GLN 4 1HE2 GLN 4 18.606 6.549 -4.222
35 H ALA 5 H ALA 5 14.043 5.041 -2.738
36 HA ALA 5 HA ALA 5 13.854 7.165 -0.826
37 1HB ALA 5 3HB ALA 5 12.854 4.350 -0.974
38 2HB ALA 5 2HB ALA 5 12.703 5.236 0.532
39 3HB ALA 5 1HB ALA 5 11.944 5.851 -0.918
40 NH1 ARG 6 NH1 ARG 6 16.718 7.638 8.585
41 NH2 ARG 6 NH2 ARG 6 17.359 5.463 8.928
42 H ARG 6 H ARG 6 14.035 6.870 1.467
43 HA ARG 6 HA ARG 6 16.806 6.439 2.214
44 1HB ARG 6 2HB ARG 6 14.974 7.986 3.343
45 2HB ARG 6 1HB ARG 6 14.403 6.534 4.134
46 1HG ARG 6 2HG ARG 6 17.362 7.061 4.314
47 2HG ARG 6 1HG ARG 6 16.344 8.216 5.143
48 1HD ARG 6 2HD ARG 6 15.352 6.451 6.511
49 2HD ARG 6 1HD ARG 6 16.213 5.280 5.618
50 HE ARG 6 HE ARG 6 17.964 6.044 6.056
51 1HH1 ARG 6 2HH1 ARG 6 16.567 8.401 7.945
52 2HH1 ARG 6 1HH1 ARG 6 16.499 7.747 9.557
53 1HH2 ARG 6 1HH2 ARG 6 17.660 4.600 8.529
54 2HH2 ARG 6 2HH2 ARG 6 17.171 5.513 9.897
55 NH1 ARG 7 NH2 ARG 7 14.774 -1.806 2.140
56 NH2 ARG 7 NH1 ARG 7 13.741 -2.495 4.062
57 H ARG 7 H ARG 7 13.814 4.783 2.149
58 HA ARG 7 HA ARG 7 14.646 2.374 3.540
59 1HB ARG 7 2HB ARG 7 12.242 2.974 3.550
60 2HB ARG 7 1HB ARG 7 12.229 3.105 1.808
61 1HG ARG 7 2HG ARG 7 11.188 1.004 2.396
62 2HG ARG 7 1HG ARG 7 12.699 0.618 1.641
63 1HD ARG 7 2HD ARG 7 12.617 0.868 4.662
64 2HD ARG 7 1HD ARG 7 11.994 -0.610 3.949
65 HE ARG 7 HE ARG 7 14.440 0.676 3.562
66 1HH1 ARG 7 1HH2 ARG 7 15.070 -1.054 1.551
67 2HH1 ARG 7 2HH2 ARG 7 14.899 -2.725 1.815
68 1HH2 ARG 7 2HH1 ARG 7 13.290 -2.271 4.931
69 2HH2 ARG 7 1HH1 ARG 7 13.821 -3.450 3.769
70 H ASN 8 H ASN 8 14.431 3.671 0.244
71 HA ASN 8 HA ASN 8 14.987 1.177 -1.095
72 1HB ASN 8 2HB ASN 8 14.238 3.144 -2.401
73 2HB ASN 8 1HB ASN 8 15.699 3.993 -1.910
74 1HD2 ASN 8 2HD2 ASN 8 17.568 2.878 -4.552
75 2HD2 ASN 8 1HD2 ASN 8 17.263 4.050 -3.368
76 NH1 ARG 9 NH1 ARG 9 18.991 4.803 4.910
77 NH2 ARG 9 NH2 ARG 9 20.055 6.796 5.297
78 H ARG 9 H ARG 9 16.906 3.433 0.661
79 HA ARG 9 HA ARG 9 19.508 2.816 -0.332
80 1HB ARG 9 2HB ARG 9 18.620 4.603 1.469
81 2HB ARG 9 1HB ARG 9 19.054 3.346 2.605
82 1HG ARG 9 2HG ARG 9 21.352 3.307 1.346
83 2HG ARG 9 1HG ARG 9 20.850 4.852 0.698
84 1HD ARG 9 2HD ARG 9 21.247 4.149 3.624
85 2HD ARG 9 1HD ARG 9 21.988 5.360 2.690
86 HE ARG 9 HE ARG 9 20.315 6.386 2.382
87 1HH1 ARG 9 2HH1 ARG 9 18.743 4.064 4.275
88 2HH1 ARG 9 1HH1 ARG 9 18.712 4.749 5.872
89 1HH2 ARG 9 1HH2 ARG 9 20.636 7.528 4.943
90 2HH2 ARG 9 2HH2 ARG 9 19.795 6.809 6.248
91 H ALA 10 H ALA 10 17.597 1.478 2.284
92 HA ALA 10 HA ALA 10 19.460 -0.624 2.999
93 1HB ALA 10 3HB ALA 10 16.608 0.061 3.662
94 2HB ALA 10 2HB ALA 10 17.176 -1.556 4.055
95 3HB ALA 10 1HB ALA 10 17.969 -0.148 4.742
96 NH1 ARG 11 NH1 ARG 11 13.170 -0.465 -5.676
97 NH2 ARG 11 NH2 ARG 11 11.570 -1.985 -5.074
98 H ARG 11 H ARG 11 16.858 -0.272 0.738
99 HA ARG 11 HA ARG 11 16.479 -3.055 0.082
100 1HB ARG 11 2HB ARG 11 14.867 -1.119 -0.444
101 2HB ARG 11 1HB ARG 11 15.994 -0.611 -1.689
102 1HG ARG 11 2HG ARG 11 15.713 -2.694 -2.909
103 2HG ARG 11 1HG ARG 11 14.683 -3.348 -1.652
104 1HD ARG 11 2HD ARG 11 12.839 -2.120 -2.372
105 2HD ARG 11 1HD ARG 11 13.800 -0.745 -2.806
106 HE ARG 11 HE ARG 11 14.517 -2.686 -4.062
107 1HH1 ARG 11 2HH1 ARG 11 14.104 -0.134 -5.586
108 2HH1 ARG 11 1HH1 ARG 11 12.524 0.042 -6.231
109 1HH2 ARG 11 1HH2 ARG 11 11.317 -2.800 -4.536
110 2HH2 ARG 11 2HH2 ARG 11 10.871 -1.500 -5.610
111 NH1 ARG 12 NH2 ARG 12 17.563 1.087 -6.044
112 NH2 ARG 12 NH1 ARG 12 19.171 2.484 -6.891
113 H ARG 12 H ARG 12 18.623 -0.531 -0.893
114 HA ARG 12 HA ARG 12 19.778 -1.920 -3.169
115 1HB ARG 12 2HB ARG 12 19.723 0.700 -2.523
116 2HB ARG 12 1HB ARG 12 21.206 0.308 -1.688
117 1HG ARG 12 2HG ARG 12 21.946 0.953 -3.840
118 2HG ARG 12 1HG ARG 12 21.965 -0.785 -3.930
119 1HD ARG 12 2HD ARG 12 20.856 0.190 -5.924
120 2HD ARG 12 1HD ARG 12 19.665 -0.689 -5.029
121 HE ARG 12 HE ARG 12 20.084 1.579 -4.129
122 1HH1 ARG 12 1HH2 ARG 12 17.277 0.445 -5.323
123 2HH1 ARG 12 2HH2 ARG 12 16.961 1.257 -6.829
124 1HH2 ARG 12 2HH1 ARG 12 20.088 2.867 -6.809
125 2HH2 ARG 12 1HH1 ARG 12 18.620 2.695 -7.691
126 CH2 TRP 13 CH2 TRP 13 22.039 -6.695 5.258
127 H TRP 13 H TRP 13 20.515 -1.414 0.226
128 HA TRP 13 HA TRP 13 23.088 -2.595 0.322
129 1HB TRP 13 2HB TRP 13 22.198 -1.378 2.269
130 2HB TRP 13 1HB TRP 13 20.861 -2.508 2.424
131 HD1 TRP 13 HD1 TRP 13 24.733 -2.379 2.801
132 HE1 TRP 13 HE1 TRP 13 25.339 -4.280 4.313
133 HE3 TRP 13 HE3 TRP 13 20.234 -4.584 3.314
134 HZ2 TRP 13 HZ2 TRP 13 24.146 -6.523 5.639
135 HZ3 TRP 13 HZ3 TRP 13 19.967 -6.610 4.705
136 HH2 TRP 13 HH2 TRP 13 21.921 -7.580 5.866
137 NH1 ARG 14 NH2 ARG 14 18.677 -9.056 3.743
138 NH2 ARG 14 NH1 ARG 14 16.661 -9.811 2.959
139 H ARG 14 H ARG 14 19.859 -3.950 0.430
140 HA ARG 14 HA ARG 14 20.684 -6.688 0.913
141 1HB ARG 14 2HB ARG 14 18.119 -5.378 -0.078
142 2HB ARG 14 1HB ARG 14 18.278 -7.125 -0.040
143 1HG ARG 14 2HG ARG 14 19.067 -6.748 2.463
144 2HG ARG 14 1HG ARG 14 18.304 -5.182 2.282
145 1HD ARG 14 2HD ARG 14 16.204 -6.088 2.338
146 2HD ARG 14 1HD ARG 14 16.586 -7.497 1.431
147 HE ARG 14 HE ARG 14 16.715 -6.740 3.929
148 1HH1 ARG 14 1HH2 ARG 14 19.236 -8.283 4.036
149 2HH1 ARG 14 2HH2 ARG 14 19.089 -9.958 3.674
150 1HH2 ARG 14 2HH1 ARG 14 15.715 -9.608 2.688
151 2HH2 ARG 14 1HH1 ARG 14 17.020 -10.743 2.860
152 H ALA 15 H ALA 15 19.903 -4.729 -1.885
153 HA ALA 15 HA ALA 15 20.159 -6.772 -3.878
154 1HB ALA 15 1HB ALA 15 19.071 -4.466 -4.147
155 2HB ALA 15 3HB ALA 15 20.692 -3.805 -4.291
156 3HB ALA 15 2HB ALA 15 20.107 -4.963 -5.473
157 NH1 ARG 16 NH2 ARG 16 27.049 -0.020 -5.108
158 NH2 ARG 16 NH1 ARG 16 26.248 -1.271 -6.852
159 H ARG 16 H ARG 16 22.421 -5.072 -2.021
160 HA ARG 16 HA ARG 16 24.720 -5.611 -3.825
161 1HB ARG 16 2HB ARG 16 24.464 -4.086 -1.201
162 2HB ARG 16 1HB ARG 16 25.983 -4.292 -2.045
163 1HG ARG 16 2HG ARG 16 23.670 -3.196 -3.644
164 2HG ARG 16 1HG ARG 16 24.350 -2.144 -2.424
165 1HD ARG 16 2HD ARG 16 26.596 -2.378 -3.493
166 2HD ARG 16 1HD ARG 16 25.863 -3.375 -4.708
167 HE ARG 16 HE ARG 16 24.365 -1.641 -4.478
168 1HH1 ARG 16 1HH2 ARG 16 26.994 0.224 -4.130
169 2HH1 ARG 16 2HH2 ARG 16 27.776 0.371 -5.683
170 1HH2 ARG 16 2HH1 ARG 16 25.604 -1.958 -7.177
171 2HH2 ARG 16 1HH1 ARG 16 26.932 -0.915 -7.473
172 H GLN 17 H GLN 17 23.183 -6.600 -0.905
173 HA GLN 17 HA GLN 17 25.280 -8.146 0.280
174 1HB GLN 17 2HB GLN 17 23.145 -7.358 1.410
175 2HB GLN 17 1HB GLN 17 22.264 -8.567 0.496
176 1HG GLN 17 2HG GLN 17 23.532 -10.375 1.580
177 2HG GLN 17 1HG GLN 17 24.564 -9.207 2.394
178 1HE2 GLN 17 2HE2 GLN 17 22.338 -9.582 5.116
179 2HE2 GLN 17 1HE2 GLN 17 23.893 -9.904 4.513
180 NH1 ARG 18 NH1 ARG 18 20.865 -8.480 -5.411
181 NH2 ARG 18 NH2 ARG 18 19.291 -9.433 -6.772
182 H ARG 18 H ARG 18 22.834 -8.792 -2.093
183 HA ARG 18 HA ARG 18 24.048 -11.459 -2.707
184 1HB ARG 18 2HB ARG 18 21.737 -12.211 -3.338
185 2HB ARG 18 1HB ARG 18 21.879 -11.829 -1.641
186 1HG ARG 18 2HG ARG 18 20.233 -10.278 -1.797
187 2HG ARG 18 1HG ARG 18 21.120 -9.388 -3.010
188 1HD ARG 18 2HD ARG 18 19.480 -11.763 -3.695
189 2HD ARG 18 1HD ARG 18 18.878 -10.195 -3.805
190 HE ARG 18 HE ARG 18 20.448 -11.685 -5.157
191 1HH1 ARG 18 1HH1 ARG 18 21.520 -8.572 -4.652
192 2HH1 ARG 18 2HH1 ARG 18 20.731 -7.586 -5.846
193 1HH2 ARG 18 1HH2 ARG 18 18.754 -10.240 -7.007
194 2HH2 ARG 18 2HH2 ARG 18 19.122 -8.580 -7.244
195 1H NH2 19 1HN NH2 18 23.918 -8.429 -3.848
196 2H NH2 19 2HN NH2 18 23.800 -8.723 -5.516
Start of MODEL 9
Raw file had 196 H/Q atoms
Start of MODEL 9
1 1H2 SIN 1 1H2 SIN 1 12.271 11.649 -2.859
2 2H2 SIN 1 2H2 SIN 1 12.144 9.911 -3.023
3 1H3 SIN 1 1H3 SIN 1 10.010 11.039 -3.612
4 2H3 SIN 1 2H3 SIN 1 9.924 11.744 -2.016
5 H THR 2 H THR 2 10.911 11.876 -0.326
6 HA THR 2 HA THR 2 13.109 10.957 1.412
7 HB THR 2 HB THR 2 11.672 13.375 1.262
8 HG1 THR 2 HG1 THR 2 13.753 12.884 2.069
9 1HG2 THR 2 2HG2 THR 2 10.995 12.016 3.935
10 2HG2 THR 2 1HG2 THR 2 10.696 13.690 3.511
11 3HG2 THR 2 3HG2 THR 2 9.782 12.418 2.730
12 NH1 ARG 3 NH2 ARG 3 7.351 12.866 -1.226
13 NH2 ARG 3 NH1 ARG 3 9.351 13.443 -0.357
14 H ARG 3 H ARG 3 9.644 10.510 1.133
15 HA ARG 3 HA ARG 3 9.106 9.159 3.548
16 1HB ARG 3 2HB ARG 3 7.857 8.628 0.812
17 2HB ARG 3 1HB ARG 3 7.217 8.063 2.330
18 1HG ARG 3 2HG ARG 3 6.033 9.975 2.456
19 2HG ARG 3 1HG ARG 3 7.530 10.789 2.846
20 1HD ARG 3 2HD ARG 3 6.857 10.345 -0.081
21 2HD ARG 3 1HD ARG 3 6.043 11.627 0.810
22 HE ARG 3 HE ARG 3 8.844 11.773 1.330
23 1HH1 ARG 3 1HH2 ARG 3 6.518 12.313 -1.195
24 2HH1 ARG 3 2HH2 ARG 3 7.481 13.533 -1.959
25 1HH2 ARG 3 2HH1 ARG 3 10.055 13.330 0.343
26 2HH2 ARG 3 1HH1 ARG 3 9.476 14.108 -1.093
27 H GLN 4 H GLN 4 10.449 7.902 0.564
28 HA GLN 4 HA GLN 4 11.008 5.307 1.952
29 1HB GLN 4 2HB GLN 4 10.854 4.306 -0.438
30 2HB GLN 4 1HB GLN 4 9.357 4.778 0.325
31 1HG GLN 4 2HG GLN 4 9.355 5.531 -2.005
32 2HG GLN 4 1HG GLN 4 9.394 6.935 -0.960
33 1HE2 GLN 4 2HE2 GLN 4 12.599 7.979 -2.046
34 2HE2 GLN 4 1HE2 GLN 4 11.345 8.210 -0.924
35 H ALA 5 H ALA 5 12.659 7.723 1.749
36 HA ALA 5 HA ALA 5 14.743 7.310 -0.178
37 1HB ALA 5 1HB ALA 5 14.225 9.118 2.095
38 2HB ALA 5 3HB ALA 5 15.913 8.659 2.039
39 3HB ALA 5 2HB ALA 5 15.173 9.424 0.650
40 NH1 ARG 6 NH1 ARG 6 15.323 7.963 7.398
41 NH2 ARG 6 NH2 ARG 6 13.531 8.162 8.748
42 H ARG 6 H ARG 6 14.706 6.742 3.289
43 HA ARG 6 HA ARG 6 17.130 5.198 3.355
44 1HB ARG 6 2HB ARG 6 16.360 4.593 5.677
45 2HB ARG 6 1HB ARG 6 16.348 6.311 5.374
46 1HG ARG 6 2HG ARG 6 13.799 4.742 4.858
47 2HG ARG 6 1HG ARG 6 14.255 5.067 6.512
48 1HD ARG 6 2HD ARG 6 14.522 7.557 5.018
49 2HD ARG 6 1HD ARG 6 12.962 6.843 4.656
50 HE ARG 6 HE ARG 6 12.304 7.179 6.888
51 1HH1 ARG 6 2HH1 ARG 6 15.728 7.691 6.526
52 2HH1 ARG 6 1HH1 ARG 6 15.896 8.360 8.113
53 1HH2 ARG 6 1HH2 ARG 6 12.553 8.043 8.920
54 2HH2 ARG 6 2HH2 ARG 6 14.117 8.559 9.454
55 NH1 ARG 7 NH1 ARG 7 9.747 -0.367 -0.660
56 NH2 ARG 7 NH2 ARG 7 11.190 -1.532 -1.937
57 H ARG 7 H ARG 7 13.996 4.462 2.347
58 HA ARG 7 HA ARG 7 14.067 1.596 2.913
59 1HB ARG 7 2HB ARG 7 11.893 2.627 2.945
60 2HB ARG 7 1HB ARG 7 12.171 3.459 1.439
61 1HG ARG 7 2HG ARG 7 12.275 0.452 1.351
62 2HG ARG 7 1HG ARG 7 10.708 1.184 1.616
63 1HD ARG 7 2HD ARG 7 10.575 2.055 -0.514
64 2HD ARG 7 1HD ARG 7 12.284 2.449 -0.593
65 HE ARG 7 HE ARG 7 12.701 0.349 -1.532
66 1HH1 ARG 7 2HH1 ARG 7 9.524 0.438 -0.111
67 2HH1 ARG 7 1HH1 ARG 7 9.070 -1.094 -0.778
68 1HH2 ARG 7 1HH2 ARG 7 12.082 -1.626 -2.377
69 2HH2 ARG 7 2HH2 ARG 7 10.502 -2.251 -2.043
70 H ASN 8 H ASN 8 14.548 3.780 0.183
71 HA ASN 8 HA ASN 8 14.985 1.586 -1.675
72 1HB ASN 8 2HB ASN 8 15.357 3.284 -3.336
73 2HB ASN 8 1HB ASN 8 14.174 3.989 -2.257
74 1HD2 ASN 8 2HD2 ASN 8 17.992 5.510 -2.216
75 2HD2 ASN 8 1HD2 ASN 8 17.770 3.878 -2.621
76 NH1 ARG 9 NH1 ARG 9 18.854 7.581 -2.114
77 NH2 ARG 9 NH2 ARG 9 17.308 8.097 -0.558
78 H ARG 9 H ARG 9 16.881 3.570 0.410
79 HA ARG 9 HA ARG 9 19.491 2.898 -0.625
80 1HB ARG 9 2HB ARG 9 18.402 4.576 1.471
81 2HB ARG 9 1HB ARG 9 19.561 3.520 2.226
82 1HG ARG 9 2HG ARG 9 20.765 5.485 1.529
83 2HG ARG 9 1HG ARG 9 21.260 4.177 0.477
84 1HD ARG 9 2HD ARG 9 20.812 6.294 -0.783
85 2HD ARG 9 1HD ARG 9 19.731 5.007 -1.304
86 HE ARG 9 HE ARG 9 18.404 6.379 0.772
87 1HH1 ARG 9 2HH1 ARG 9 19.641 7.041 -2.411
88 2HH1 ARG 9 1HH1 ARG 9 18.463 8.272 -2.722
89 1HH2 ARG 9 1HH2 ARG 9 16.909 7.952 0.346
90 2HH2 ARG 9 2HH2 ARG 9 16.921 8.783 -1.173
91 H ALA 10 H ALA 10 17.559 1.784 2.089
92 HA ALA 10 HA ALA 10 19.321 -0.248 3.013
93 1HB ALA 10 1HB ALA 10 16.272 -0.082 3.135
94 2HB ALA 10 3HB ALA 10 17.228 -1.229 4.063
95 3HB ALA 10 2HB ALA 10 17.386 0.493 4.366
96 NH1 ARG 11 NH1 ARG 11 15.306 -0.456 -4.945
97 NH2 ARG 11 NH2 ARG 11 14.067 1.195 -4.038
98 H ARG 11 H ARG 11 16.779 -0.283 0.631
99 HA ARG 11 HA ARG 11 16.922 -3.094 0.043
100 1HB ARG 11 2HB ARG 11 14.927 -1.895 -0.608
101 2HB ARG 11 1HB ARG 11 15.850 -0.651 -1.429
102 1HG ARG 11 2HG ARG 11 16.414 -2.118 -3.247
103 2HG ARG 11 1HG ARG 11 15.883 -3.540 -2.382
104 1HD ARG 11 2HD ARG 11 14.246 -2.736 -4.149
105 2HD ARG 11 1HD ARG 11 13.558 -2.857 -2.537
106 HE ARG 11 HE ARG 11 13.260 -0.538 -2.541
107 1HH1 ARG 11 2HH1 ARG 11 15.595 -1.413 -4.970
108 2HH1 ARG 11 1HH1 ARG 11 15.687 0.197 -5.599
109 1HH2 ARG 11 1HH2 ARG 11 13.400 1.510 -3.364
110 2HH2 ARG 11 2HH2 ARG 11 14.455 1.841 -4.698
111 NH1 ARG 12 NH2 ARG 12 18.100 -1.119 -4.788
112 NH2 ARG 12 NH1 ARG 12 19.085 -2.257 -6.455
113 H ARG 12 H ARG 12 18.729 -0.307 -0.938
114 HA ARG 12 HA ARG 12 19.983 -1.462 -3.252
115 1HB ARG 12 2HB ARG 12 19.887 1.091 -2.221
116 2HB ARG 12 1HB ARG 12 21.480 0.620 -1.687
117 1HG ARG 12 2HG ARG 12 21.874 1.561 -3.812
118 2HG ARG 12 1HG ARG 12 21.898 -0.157 -4.130
119 1HD ARG 12 2HD ARG 12 19.167 1.027 -4.360
120 2HD ARG 12 1HD ARG 12 20.326 1.718 -5.472
121 HE ARG 12 HE ARG 12 20.748 -0.489 -6.399
122 1HH1 ARG 12 1HH2 ARG 12 18.065 -0.348 -4.151
123 2HH1 ARG 12 2HH2 ARG 12 17.383 -1.812 -4.768
124 1HH2 ARG 12 2HH1 ARG 12 19.820 -2.360 -7.124
125 2HH2 ARG 12 1HH1 ARG 12 18.355 -2.939 -6.403
126 CH2 TRP 13 CH2 TRP 13 20.526 1.033 5.198
127 H TRP 13 H TRP 13 21.089 -1.051 0.081
128 HA TRP 13 HA TRP 13 23.586 -2.439 -0.337
129 1HB TRP 13 2HB TRP 13 22.393 -2.719 2.380
130 2HB TRP 13 1HB TRP 13 23.987 -2.188 1.905
131 HD1 TRP 13 HD1 TRP 13 23.378 0.544 0.345
132 HE1 TRP 13 HE1 TRP 13 22.382 2.398 1.685
133 HE3 TRP 13 HE3 TRP 13 21.458 -2.077 4.207
134 HZ2 TRP 13 HZ2 TRP 13 20.928 2.848 4.120
135 HZ3 TRP 13 HZ3 TRP 13 20.273 -0.924 6.046
136 HH2 TRP 13 HH2 TRP 13 20.005 1.534 6.001
137 NH1 ARG 14 NH2 ARG 14 15.825 -5.463 -0.657
138 NH2 ARG 14 NH1 ARG 14 17.023 -5.962 -2.496
139 H ARG 14 H ARG 14 20.381 -3.392 0.643
140 HA ARG 14 HA ARG 14 21.018 -6.126 1.278
141 1HB ARG 14 2HB ARG 14 19.013 -4.734 2.044
142 2HB ARG 14 1HB ARG 14 18.308 -4.977 0.468
143 1HG ARG 14 2HG ARG 14 19.286 -7.504 1.691
144 2HG ARG 14 1HG ARG 14 18.174 -6.666 2.742
145 1HD ARG 14 2HD ARG 14 17.213 -8.388 1.013
146 2HD ARG 14 1HD ARG 14 16.362 -6.874 1.233
147 HE ARG 14 HE ARG 14 18.196 -7.521 -1.051
148 1HH1 ARG 14 1HH2 ARG 14 15.621 -5.584 0.312
149 2HH1 ARG 14 2HH2 ARG 14 15.296 -4.807 -1.195
150 1HH2 ARG 14 2HH1 ARG 14 17.745 -6.482 -2.948
151 2HH2 ARG 14 1HH1 ARG 14 16.488 -5.295 -3.015
152 H ALA 15 H ALA 15 20.193 -4.432 -1.644
153 HA ALA 15 HA ALA 15 19.548 -6.762 -3.253
154 1HB ALA 15 2HB ALA 15 20.551 -3.993 -4.106
155 2HB ALA 15 1HB ALA 15 19.843 -5.193 -5.176
156 3HB ALA 15 3HB ALA 15 18.863 -4.450 -3.939
157 NH1 ARG 16 NH1 ARG 16 21.585 -3.669 -6.860
158 NH2 ARG 16 NH2 ARG 16 21.452 -5.910 -7.071
159 H ARG 16 H ARG 16 22.359 -5.004 -2.335
160 HA ARG 16 HA ARG 16 24.202 -6.689 -3.952
161 1HB ARG 16 2HB ARG 16 24.328 -3.995 -2.605
162 2HB ARG 16 1HB ARG 16 25.817 -4.908 -2.624
163 1HG ARG 16 2HG ARG 16 25.861 -3.573 -4.597
164 2HG ARG 16 1HG ARG 16 25.518 -5.201 -5.142
165 1HD ARG 16 2HD ARG 16 23.185 -3.361 -4.523
166 2HD ARG 16 1HD ARG 16 24.068 -3.155 -6.032
167 HE ARG 16 HE ARG 16 23.423 -5.928 -5.640
168 1HH1 ARG 16 2HH1 ARG 16 22.036 -2.856 -6.492
169 2HH1 ARG 16 1HH1 ARG 16 20.778 -3.573 -7.441
170 1HH2 ARG 16 1HH2 ARG 16 21.799 -6.823 -6.864
171 2HH2 ARG 16 2HH2 ARG 16 20.644 -5.801 -7.652
172 H GLN 17 H GLN 17 22.624 -6.872 -1.183
173 HA GLN 17 HA GLN 17 22.839 -7.802 0.905
174 1HB GLN 17 2HB GLN 17 23.557 -10.103 0.800
175 2HB GLN 17 1HB GLN 17 22.784 -9.706 -0.716
176 1HG GLN 17 2HG GLN 17 24.832 -9.720 -1.930
177 2HG GLN 17 1HG GLN 17 25.818 -9.538 -0.484
178 1HE2 GLN 17 2HE2 GLN 17 24.452 -13.235 -1.555
179 2HE2 GLN 17 1HE2 GLN 17 23.812 -11.847 -2.295
180 NH1 ARG 18 NH1 ARG 18 23.809 -2.018 5.962
181 NH2 ARG 18 NH2 ARG 18 24.596 -0.572 4.425
182 H ARG 18 H ARG 18 24.953 -5.885 0.242
183 HA ARG 18 HA ARG 18 27.274 -5.460 0.765
184 1HB ARG 18 2HB ARG 18 26.992 -4.470 3.160
185 2HB ARG 18 1HB ARG 18 25.974 -3.865 1.872
186 1HG ARG 18 2HG ARG 18 24.048 -5.008 2.648
187 2HG ARG 18 1HG ARG 18 24.976 -6.145 3.604
188 1HD ARG 18 2HD ARG 18 23.781 -4.360 4.952
189 2HD ARG 18 1HD ARG 18 25.513 -4.444 5.259
190 HE ARG 18 HE ARG 18 25.373 -2.567 3.274
191 1HH1 ARG 18 1HH1 ARG 18 23.679 -2.954 6.293
192 2HH1 ARG 18 2HH1 ARG 18 23.456 -1.248 6.493
193 1HH2 ARG 18 1HH2 ARG 18 25.075 -0.393 3.565
194 2HH2 ARG 18 2HH2 ARG 18 24.240 0.189 4.968
195 1H NH2 19 1HN NH2 18 28.539 -7.442 0.710
196 2H NH2 19 2HN NH2 18 28.989 -8.223 2.148
Start of MODEL 10
Raw file had 196 H/Q atoms
Start of MODEL 10
1 1H2 SIN 1 1H2 SIN 1 12.216 13.991 1.254
2 2H2 SIN 1 2H2 SIN 1 11.154 12.916 0.359
3 1H3 SIN 1 1H3 SIN 1 10.094 13.918 2.459
4 2H3 SIN 1 2H3 SIN 1 11.273 13.036 3.415
5 H THR 2 H THR 2 13.970 13.207 2.252
6 HA THR 2 HA THR 2 15.219 10.867 1.259
7 HB THR 2 HB THR 2 15.929 12.506 3.765
8 HG1 THR 2 HG1 THR 2 15.712 13.664 1.824
9 1HG2 THR 2 2HG2 THR 2 17.535 10.638 1.915
10 2HG2 THR 2 1HG2 THR 2 18.289 11.783 3.014
11 3HG2 THR 2 3HG2 THR 2 17.342 10.451 3.652
12 NH1 ARG 3 NH1 ARG 3 15.011 7.787 7.582
13 NH2 ARG 3 NH2 ARG 3 16.007 9.167 9.082
14 H ARG 3 H ARG 3 13.177 11.330 4.022
15 HA ARG 3 HA ARG 3 13.938 9.042 5.532
16 1HB ARG 3 2HB ARG 3 12.246 11.073 6.044
17 2HB ARG 3 1HB ARG 3 11.047 9.943 5.459
18 1HG ARG 3 2HG ARG 3 11.092 9.318 7.680
19 2HG ARG 3 1HG ARG 3 12.332 8.244 7.125
20 1HD ARG 3 2HD ARG 3 12.795 10.953 8.321
21 2HD ARG 3 1HD ARG 3 13.110 9.479 9.162
22 HE ARG 3 HE ARG 3 14.132 10.937 7.397
23 1HH1 ARG 3 2HH1 ARG 3 14.358 7.646 6.839
24 2HH1 ARG 3 1HH1 ARG 3 15.541 6.998 7.920
25 1HH2 ARG 3 1HH2 ARG 3 16.074 10.083 9.478
26 2HH2 ARG 3 2HH2 ARG 3 16.572 8.421 9.459
27 H GLN 4 H GLN 4 11.594 9.452 2.962
28 HA GLN 4 HA GLN 4 10.700 6.685 3.050
29 1HB GLN 4 2HB GLN 4 10.223 9.080 1.261
30 2HB GLN 4 1HB GLN 4 9.807 7.495 0.635
31 1HG GLN 4 2HG GLN 4 8.158 7.105 2.271
32 2HG GLN 4 1HG GLN 4 8.879 8.215 3.424
33 1HE2 GLN 4 2HE2 GLN 4 6.550 10.650 2.530
34 2HE2 GLN 4 1HE2 GLN 4 7.396 9.829 3.751
35 H ALA 5 H ALA 5 13.065 8.572 1.353
36 HA ALA 5 HA ALA 5 13.813 6.551 -0.590
37 1HB ALA 5 2HB ALA 5 14.179 9.101 -0.745
38 2HB ALA 5 1HB ALA 5 15.534 8.869 0.349
39 3HB ALA 5 3HB ALA 5 15.535 8.095 -1.228
40 NH1 ARG 6 NH1 ARG 6 21.080 4.775 4.894
41 NH2 ARG 6 NH2 ARG 6 20.686 6.582 3.574
42 H ARG 6 H ARG 6 14.398 6.975 2.712
43 HA ARG 6 HA ARG 6 17.029 5.850 2.931
44 1HB ARG 6 2HB ARG 6 15.754 7.185 4.729
45 2HB ARG 6 1HB ARG 6 14.802 5.749 5.016
46 1HG ARG 6 2HG ARG 6 16.602 5.775 6.634
47 2HG ARG 6 1HG ARG 6 16.914 4.483 5.533
48 1HD ARG 6 2HD ARG 6 18.176 7.146 4.835
49 2HD ARG 6 1HD ARG 6 18.873 6.197 6.154
50 HE ARG 6 HE ARG 6 18.068 4.819 4.355
51 1HH1 ARG 6 2HH1 ARG 6 20.705 4.015 5.429
52 2HH1 ARG 6 1HH1 ARG 6 22.077 4.929 4.887
53 1HH2 ARG 6 1HH2 ARG 6 20.037 7.169 3.094
54 2HH2 ARG 6 2HH2 ARG 6 21.669 6.799 3.532
55 NH1 ARG 7 NH1 ARG 7 8.188 4.793 3.885
56 NH2 ARG 7 NH2 ARG 7 8.403 4.714 1.615
57 H ARG 7 H ARG 7 13.829 4.549 2.692
58 HA ARG 7 HA ARG 7 14.451 1.820 3.437
59 1HB ARG 7 2HB ARG 7 12.152 2.964 1.781
60 2HB ARG 7 1HB ARG 7 12.197 1.344 2.438
61 1HG ARG 7 2HG ARG 7 12.172 2.182 4.734
62 2HG ARG 7 1HG ARG 7 12.430 3.831 4.212
63 1HD ARG 7 2HD ARG 7 9.994 2.333 3.474
64 2HD ARG 7 1HD ARG 7 9.982 3.388 4.829
65 HE ARG 7 HE ARG 7 11.037 4.016 2.365
66 1HH1 ARG 7 2HH1 ARG 7 8.579 4.731 4.812
67 2HH1 ARG 7 1HH1 ARG 7 7.216 5.036 3.790
68 1HH2 ARG 7 1HH2 ARG 7 9.018 4.504 0.855
69 2HH2 ARG 7 2HH2 ARG 7 7.449 4.987 1.463
70 H ASN 8 H ASN 8 14.411 3.760 0.559
71 HA ASN 8 HA ASN 8 14.789 1.610 -1.309
72 1HB ASN 8 2HB ASN 8 15.396 4.605 -1.547
73 2HB ASN 8 1HB ASN 8 15.474 3.481 -2.891
74 1HD2 ASN 8 2HD2 ASN 8 11.779 4.306 -1.274
75 2HD2 ASN 8 1HD2 ASN 8 13.152 4.384 -0.278
76 NH1 ARG 9 NH1 ARG 9 22.923 4.005 -1.475
77 NH2 ARG 9 NH2 ARG 9 22.761 6.048 -2.445
78 H ARG 9 H ARG 9 16.818 3.573 0.689
79 HA ARG 9 HA ARG 9 19.349 2.893 -0.536
80 1HB ARG 9 2HB ARG 9 18.629 4.777 1.323
81 2HB ARG 9 1HB ARG 9 19.222 3.530 2.390
82 1HG ARG 9 2HG ARG 9 21.269 4.577 1.998
83 2HG ARG 9 1HG ARG 9 21.293 3.427 0.666
84 1HD ARG 9 2HD ARG 9 20.373 5.257 -0.855
85 2HD ARG 9 1HD ARG 9 20.479 6.304 0.518
86 HE ARG 9 HE ARG 9 22.115 6.475 0.526
87 1HH1 ARG 9 2HH1 ARG 9 22.832 3.415 -0.673
88 2HH1 ARG 9 1HH1 ARG 9 23.212 3.598 -2.351
89 1HH2 ARG 9 1HH2 ARG 9 22.528 7.017 -2.350
90 2HH2 ARG 9 2HH2 ARG 9 23.040 5.693 -3.348
91 H ALA 10 H ALA 10 17.245 1.489 1.835
92 HA ALA 10 HA ALA 10 19.147 -0.505 2.762
93 1HB ALA 10 2HB ALA 10 16.999 0.388 4.006
94 2HB ALA 10 1HB ALA 10 16.105 -0.706 2.965
95 3HB ALA 10 3HB ALA 10 17.293 -1.341 4.091
96 NH1 ARG 11 NH2 ARG 11 14.379 0.962 -3.660
97 NH2 ARG 11 NH1 ARG 11 12.109 0.969 -3.630
98 H ARG 11 H ARG 11 16.722 -0.226 0.339
99 HA ARG 11 HA ARG 11 16.696 -3.009 -0.421
100 1HB ARG 11 2HB ARG 11 15.772 -0.409 -1.693
101 2HB ARG 11 1HB ARG 11 15.740 -1.880 -2.646
102 1HG ARG 11 2HG ARG 11 14.142 -2.903 -1.248
103 2HG ARG 11 1HG ARG 11 14.442 -1.817 0.062
104 1HD ARG 11 2HD ARG 11 12.285 -1.364 -1.247
105 2HD ARG 11 1HD ARG 11 13.326 0.045 -1.145
106 HE ARG 11 HE ARG 11 13.424 -1.887 -2.815
107 1HH1 ARG 11 1HH2 ARG 11 15.228 0.463 -3.471
108 2HH1 ARG 11 2HH2 ARG 11 14.412 1.914 -3.984
109 1HH2 ARG 11 2HH1 ARG 11 11.244 0.504 -3.452
110 2HH2 ARG 11 1HH1 ARG 11 12.078 1.921 -3.956
111 NH1 ARG 12 NH2 ARG 12 22.594 2.058 -5.743
112 NH2 ARG 12 NH1 ARG 12 22.279 4.277 -5.367
113 H ARG 12 H ARG 12 18.828 -0.425 -0.870
114 HA ARG 12 HA ARG 12 20.102 -1.515 -3.277
115 1HB ARG 12 2HB ARG 12 20.595 0.898 -1.486
116 2HB ARG 12 1HB ARG 12 21.835 0.391 -2.616
117 1HG ARG 12 2HG ARG 12 20.321 0.665 -4.507
118 2HG ARG 12 1HG ARG 12 19.005 1.018 -3.438
119 1HD ARG 12 2HD ARG 12 19.996 3.166 -4.379
120 2HD ARG 12 1HD ARG 12 20.199 3.052 -2.655
121 HE ARG 12 HE ARG 12 21.822 2.391 -2.753
122 1HH1 ARG 12 1HH2 ARG 12 22.541 1.127 -5.376
123 2HH1 ARG 12 2HH2 ARG 12 22.858 2.216 -6.702
124 1HH2 ARG 12 2HH1 ARG 12 22.034 5.027 -4.756
125 2HH2 ARG 12 1HH1 ARG 12 22.533 4.509 -6.315
126 CH2 TRP 13 CH2 TRP 13 19.508 -4.414 5.280
127 H TRP 13 H TRP 13 20.914 -1.159 0.168
128 HA TRP 13 HA TRP 13 23.411 -2.611 -0.230
129 1HB TRP 13 2HB TRP 13 23.694 -2.567 2.191
130 2HB TRP 13 1HB TRP 13 23.217 -1.003 1.599
131 HD1 TRP 13 HD1 TRP 13 21.760 0.286 3.125
132 HE1 TRP 13 HE1 TRP 13 20.121 -0.312 4.897
133 HE3 TRP 13 HE3 TRP 13 21.754 -4.794 2.787
134 HZ2 TRP 13 HZ2 TRP 13 18.884 -2.532 6.101
135 HZ3 TRP 13 HZ3 TRP 13 20.318 -6.122 4.269
136 HH2 TRP 13 HH2 TRP 13 18.879 -5.000 5.935
137 NH1 ARG 14 NH2 ARG 14 15.780 -4.611 -2.675
138 NH2 ARG 14 NH1 ARG 14 15.822 -6.585 -3.794
139 H ARG 14 H ARG 14 20.112 -3.613 0.373
140 HA ARG 14 HA ARG 14 20.929 -6.268 1.334
141 1HB ARG 14 2HB ARG 14 18.575 -6.797 1.382
142 2HB ARG 14 1HB ARG 14 18.734 -5.160 1.943
143 1HG ARG 14 2HG ARG 14 16.996 -4.844 0.486
144 2HG ARG 14 1HG ARG 14 18.333 -4.504 -0.610
145 1HD ARG 14 2HD ARG 14 17.892 -7.260 -0.805
146 2HD ARG 14 1HD ARG 14 16.293 -6.619 -0.797
147 HE ARG 14 HE ARG 14 18.424 -6.511 -2.212
148 1HH1 ARG 14 1HH2 ARG 14 16.202 -3.973 -2.031
149 2HH1 ARG 14 2HH2 ARG 14 14.895 -4.364 -3.097
150 1HH2 ARG 14 2HH1 ARG 14 16.288 -7.456 -3.954
151 2HH2 ARG 14 1HH1 ARG 14 14.946 -6.397 -4.258
152 H ALA 15 H ALA 15 20.262 -4.661 -1.667
153 HA ALA 15 HA ALA 15 19.934 -7.034 -3.308
154 1HB ALA 15 3HB ALA 15 20.601 -4.126 -3.946
155 2HB ALA 15 2HB ALA 15 20.406 -5.349 -5.192
156 3HB ALA 15 1HB ALA 15 19.054 -4.927 -4.161
157 NH1 ARG 16 NH2 ARG 16 28.722 -3.856 -2.917
158 NH2 ARG 16 NH1 ARG 16 29.239 -1.966 -4.059
159 H ARG 16 H ARG 16 22.542 -4.829 -2.520
160 HA ARG 16 HA ARG 16 24.574 -6.131 -4.104
161 1HB ARG 16 2HB ARG 16 24.657 -4.166 -1.781
162 2HB ARG 16 1HB ARG 16 26.125 -4.783 -2.515
163 1HG ARG 16 2HG ARG 16 24.991 -4.025 -4.796
164 2HG ARG 16 1HG ARG 16 24.041 -3.016 -3.751
165 1HD ARG 16 2HD ARG 16 25.876 -1.655 -4.226
166 2HD ARG 16 1HD ARG 16 26.467 -2.346 -2.735
167 HE ARG 16 HE ARG 16 26.587 -3.015 -5.246
168 1HH1 ARG 16 1HH2 ARG 16 28.094 -4.613 -2.741
169 2HH1 ARG 16 2HH2 ARG 16 29.571 -3.795 -2.377
170 1HH2 ARG 16 2HH1 ARG 16 28.969 -1.284 -4.742
171 2HH2 ARG 16 1HH1 ARG 16 30.108 -1.850 -3.559
172 H GLN 17 H GLN 17 23.219 -6.656 -0.988
173 HA GLN 17 HA GLN 17 25.307 -8.164 0.239
174 1HB GLN 17 2HB GLN 17 22.665 -7.356 0.888
175 2HB GLN 17 1HB GLN 17 22.609 -9.097 0.979
176 1HG GLN 17 2HG GLN 17 24.262 -9.187 2.688
177 2HG GLN 17 1HG GLN 17 24.853 -7.567 2.343
178 1HE2 GLN 17 2HE2 GLN 17 21.260 -7.890 4.331
179 2HE2 GLN 17 1HE2 GLN 17 21.677 -9.075 3.189
180 NH1 ARG 18 NH2 ARG 18 19.700 -10.648 -2.078
181 NH2 ARG 18 NH1 ARG 18 18.329 -9.979 -3.760
182 H ARG 18 H ARG 18 23.163 -8.913 -2.292
183 HA ARG 18 HA ARG 18 23.039 -11.763 -2.048
184 1HB ARG 18 2HB ARG 18 21.673 -10.085 -3.554
185 2HB ARG 18 1HB ARG 18 22.972 -10.300 -4.703
186 1HG ARG 18 2HG ARG 18 22.431 -12.523 -5.086
187 2HG ARG 18 1HG ARG 18 21.763 -12.804 -3.512
188 1HD ARG 18 2HD ARG 18 20.255 -10.881 -5.348
189 2HD ARG 18 1HD ARG 18 20.177 -12.596 -5.611
190 HE ARG 18 HE ARG 18 19.544 -13.000 -4.077
191 1HH1 ARG 18 1HH2 ARG 18 20.321 -11.346 -1.715
192 2HH1 ARG 18 2HH2 ARG 18 19.562 -9.793 -1.561
193 1HH2 ARG 18 1HH1 ARG 18 17.896 -10.162 -4.641
194 2HH2 ARG 18 2HH1 ARG 18 18.152 -9.096 -3.303
195 1H NH2 19 1HN NH2 18 24.224 -13.377 -3.345
196 2H NH2 19 2HN NH2 18 25.817 -13.071 -3.845
Start of MODEL 11
Raw file had 196 H/Q atoms
Start of MODEL 11
1 1H2 SIN 1 1H2 SIN 1 10.013 9.796 -2.466
2 2H2 SIN 1 2H2 SIN 1 9.602 11.104 -1.371
3 1H3 SIN 1 1H3 SIN 1 9.175 11.920 -3.619
4 2H3 SIN 1 2H3 SIN 1 10.726 11.338 -4.197
5 H THR 2 H THR 2 11.357 12.470 -0.646
6 HA THR 2 HA THR 2 14.106 11.424 -0.811
7 HB THR 2 HB THR 2 13.276 13.751 1.000
8 HG1 THR 2 HG1 THR 2 13.294 13.553 -1.814
9 1HG2 THR 2 3HG2 THR 2 15.613 13.289 -0.937
10 2HG2 THR 2 2HG2 THR 2 15.426 14.686 0.111
11 3HG2 THR 2 1HG2 THR 2 15.732 13.104 0.807
12 NH1 ARG 3 NH2 ARG 3 10.845 13.901 0.807
13 NH2 ARG 3 NH1 ARG 3 10.692 16.075 1.364
14 H ARG 3 H ARG 3 11.521 11.804 1.515
15 HA ARG 3 HA ARG 3 12.934 10.823 3.813
16 1HB ARG 3 2HB ARG 3 9.937 10.642 3.267
17 2HB ARG 3 1HB ARG 3 10.718 10.591 4.832
18 1HG ARG 3 2HG ARG 3 10.592 12.833 4.990
19 2HG ARG 3 1HG ARG 3 11.633 13.017 3.598
20 1HD ARG 3 2HD ARG 3 9.340 12.526 2.250
21 2HD ARG 3 1HD ARG 3 8.634 13.105 3.751
22 HE ARG 3 HE ARG 3 9.552 15.254 3.356
23 1HH1 ARG 3 1HH2 ARG 3 10.680 12.935 1.004
24 2HH1 ARG 3 2HH2 ARG 3 11.314 14.162 -0.036
25 1HH2 ARG 3 2HH1 ARG 3 10.398 16.792 1.997
26 2HH2 ARG 3 1HH1 ARG 3 11.168 16.317 0.518
27 H GLN 4 H GLN 4 10.681 9.263 1.567
28 HA GLN 4 HA GLN 4 10.922 6.640 2.690
29 1HB GLN 4 2HB GLN 4 9.755 5.881 0.684
30 2HB GLN 4 1HB GLN 4 9.052 7.392 1.212
31 1HG GLN 4 2HG GLN 4 9.276 7.852 -1.058
32 2HG GLN 4 1HG GLN 4 10.820 8.463 -0.492
33 1HE2 GLN 4 2HE2 GLN 4 12.598 6.235 -2.537
34 2HE2 GLN 4 1HE2 GLN 4 12.553 7.709 -1.700
35 H ALA 5 H ALA 5 13.053 8.430 0.709
36 HA ALA 5 HA ALA 5 14.350 6.438 -0.808
37 1HB ALA 5 1HB ALA 5 14.713 9.005 -0.816
38 2HB ALA 5 3HB ALA 5 15.831 8.729 0.509
39 3HB ALA 5 2HB ALA 5 16.129 7.998 -1.058
40 NH1 ARG 6 NH2 ARG 6 13.278 9.361 7.949
41 NH2 ARG 6 NH1 ARG 6 11.503 8.641 6.762
42 H ARG 6 H ARG 6 14.368 6.918 2.579
43 HA ARG 6 HA ARG 6 16.885 5.777 3.289
44 1HB ARG 6 2HB ARG 6 14.220 5.838 4.765
45 2HB ARG 6 1HB ARG 6 15.717 5.303 5.506
46 1HG ARG 6 2HG ARG 6 16.756 7.499 5.129
47 2HG ARG 6 1HG ARG 6 15.342 8.071 4.267
48 1HD ARG 6 2HD ARG 6 15.278 7.162 7.181
49 2HD ARG 6 1HD ARG 6 15.408 8.842 6.660
50 HE ARG 6 HE ARG 6 13.149 7.382 5.492
51 1HH1 ARG 6 1HH2 ARG 6 14.262 9.367 8.128
52 2HH1 ARG 6 2HH2 ARG 6 12.665 9.910 8.515
53 1HH2 ARG 6 2HH1 ARG 6 11.117 8.093 6.020
54 2HH2 ARG 6 1HH1 ARG 6 10.903 9.194 7.339
55 NH1 ARG 7 NH2 ARG 7 10.153 -0.892 4.189
56 NH2 ARG 7 NH1 ARG 7 10.636 0.193 6.103
57 H ARG 7 H ARG 7 13.760 4.366 2.593
58 HA ARG 7 HA ARG 7 14.519 1.656 3.298
59 1HB ARG 7 2HB ARG 7 12.136 2.382 3.378
60 2HB ARG 7 1HB ARG 7 12.183 2.765 1.672
61 1HG ARG 7 2HG ARG 7 11.076 0.579 2.041
62 2HG ARG 7 1HG ARG 7 12.533 0.361 1.104
63 1HD ARG 7 2HD ARG 7 12.312 -1.359 2.932
64 2HD ARG 7 1HD ARG 7 13.755 -0.392 3.137
65 HE ARG 7 HE ARG 7 12.808 0.582 5.069
66 1HH1 ARG 7 1HH2 ARG 7 10.414 -1.208 3.277
67 2HH1 ARG 7 2HH2 ARG 7 9.240 -1.096 4.543
68 1HH2 ARG 7 2HH1 ARG 7 11.275 0.714 6.669
69 2HH2 ARG 7 1HH1 ARG 7 9.719 -0.016 6.444
70 H ASN 8 H ASN 8 14.451 3.666 0.461
71 HA ASN 8 HA ASN 8 14.927 1.619 -1.485
72 1HB ASN 8 2HB ASN 8 15.602 4.601 -1.582
73 2HB ASN 8 1HB ASN 8 15.604 3.520 -2.968
74 1HD2 ASN 8 2HD2 ASN 8 12.178 3.979 -3.501
75 2HD2 ASN 8 1HD2 ASN 8 13.713 3.622 -4.136
76 NH1 ARG 9 NH2 ARG 9 22.985 6.475 4.085
77 NH2 ARG 9 NH1 ARG 9 24.825 5.415 3.327
78 H ARG 9 H ARG 9 16.909 3.565 0.570
79 HA ARG 9 HA ARG 9 19.479 2.876 -0.572
80 1HB ARG 9 2HB ARG 9 18.766 4.868 1.058
81 2HB ARG 9 1HB ARG 9 19.072 3.694 2.322
82 1HG ARG 9 2HG ARG 9 21.368 3.323 1.072
83 2HG ARG 9 1HG ARG 9 21.003 4.846 0.289
84 1HD ARG 9 2HD ARG 9 21.076 6.062 2.329
85 2HD ARG 9 1HD ARG 9 20.886 4.618 3.317
86 HE ARG 9 HE ARG 9 23.250 4.200 1.908
87 1HH1 ARG 9 1HH2 ARG 9 21.995 6.616 4.074
88 2HH1 ARG 9 2HH2 ARG 9 23.560 7.018 4.697
89 1HH2 ARG 9 2HH1 ARG 9 25.253 4.735 2.732
90 2HH2 ARG 9 1HH1 ARG 9 25.386 5.967 3.944
91 H ALA 10 H ALA 10 17.483 1.809 2.075
92 HA ALA 10 HA ALA 10 19.219 -0.228 3.064
93 1HB ALA 10 3HB ALA 10 17.160 0.847 4.213
94 2HB ALA 10 2HB ALA 10 16.187 -0.253 3.254
95 3HB ALA 10 1HB ALA 10 17.345 -0.884 4.420
96 NH1 ARG 11 NH1 ARG 11 13.798 -4.543 -0.124
97 NH2 ARG 11 NH2 ARG 11 12.522 -3.215 1.172
98 H ARG 11 H ARG 11 16.916 -0.084 0.519
99 HA ARG 11 HA ARG 11 16.808 -2.959 0.029
100 1HB ARG 11 2HB ARG 11 14.956 -1.273 -0.492
101 2HB ARG 11 1HB ARG 11 15.944 -0.677 -1.803
102 1HG ARG 11 2HG ARG 11 15.656 -2.569 -3.102
103 2HG ARG 11 1HG ARG 11 15.563 -3.654 -1.738
104 1HD ARG 11 2HD ARG 11 13.362 -1.905 -2.895
105 2HD ARG 11 1HD ARG 11 13.350 -3.648 -2.687
106 HE ARG 11 HE ARG 11 12.503 -1.730 -0.744
107 1HH1 ARG 11 2HH1 ARG 11 14.258 -4.731 -0.991
108 2HH1 ARG 11 1HH1 ARG 11 13.855 -5.203 0.626
109 1HH2 ARG 11 1HH2 ARG 11 12.000 -2.372 1.302
110 2HH2 ARG 11 2HH2 ARG 11 12.587 -3.885 1.911
111 NH1 ARG 12 NH2 ARG 12 18.106 3.739 -4.209
112 NH2 ARG 12 NH1 ARG 12 18.344 4.652 -2.162
113 H ARG 12 H ARG 12 18.654 -0.233 -0.987
114 HA ARG 12 HA ARG 12 19.834 -1.428 -3.328
115 1HB ARG 12 2HB ARG 12 20.205 1.039 -1.696
116 2HB ARG 12 1HB ARG 12 21.672 0.487 -2.487
117 1HG ARG 12 2HG ARG 12 20.440 0.419 -4.668
118 2HG ARG 12 1HG ARG 12 18.998 1.017 -3.868
119 1HD ARG 12 2HD ARG 12 21.669 2.493 -3.920
120 2HD ARG 12 1HD ARG 12 20.337 2.843 -5.004
121 HE ARG 12 HE ARG 12 20.480 3.488 -2.139
122 1HH1 ARG 12 1HH2 ARG 12 18.451 3.168 -4.952
123 2HH1 ARG 12 2HH2 ARG 12 17.216 4.185 -4.295
124 1HH2 ARG 12 2HH1 ARG 12 18.877 4.783 -1.327
125 2HH2 ARG 12 1HH1 ARG 12 17.455 5.094 -2.262
126 CH2 TRP 13 CH2 TRP 13 20.621 0.966 5.286
127 H TRP 13 H TRP 13 20.794 -1.203 0.069
128 HA TRP 13 HA TRP 13 23.336 -2.556 -0.323
129 1HB TRP 13 2HB TRP 13 21.878 -2.893 2.285
130 2HB TRP 13 1HB TRP 13 23.580 -2.630 2.006
131 HD1 TRP 13 HD1 TRP 13 23.409 0.252 0.425
132 HE1 TRP 13 HE1 TRP 13 22.677 2.183 1.826
133 HE3 TRP 13 HE3 TRP 13 21.130 -2.205 4.171
134 HZ2 TRP 13 HZ2 TRP 13 21.276 2.747 4.280
135 HZ3 TRP 13 HZ3 TRP 13 20.097 -0.969 6.060
136 HH2 TRP 13 HH2 TRP 13 20.168 1.505 6.106
137 NH1 ARG 14 NH1 ARG 14 15.275 -2.727 1.964
138 NH2 ARG 14 NH2 ARG 14 15.394 -2.506 4.196
139 H ARG 14 H ARG 14 20.094 -3.481 0.596
140 HA ARG 14 HA ARG 14 20.438 -6.198 1.173
141 1HB ARG 14 2HB ARG 14 18.182 -4.528 0.095
142 2HB ARG 14 1HB ARG 14 17.968 -6.261 0.020
143 1HG ARG 14 2HG ARG 14 18.318 -6.425 2.467
144 2HG ARG 14 1HG ARG 14 18.563 -4.693 2.558
145 1HD ARG 14 2HD ARG 14 16.116 -4.867 1.190
146 2HD ARG 14 1HD ARG 14 16.034 -6.238 2.276
147 HE ARG 14 HE ARG 14 16.434 -4.686 4.162
148 1HH1 ARG 14 2HH1 ARG 14 15.425 -3.253 1.128
149 2HH1 ARG 14 1HH1 ARG 14 14.854 -1.821 1.910
150 1HH2 ARG 14 1HH2 ARG 14 15.651 -2.861 5.094
151 2HH2 ARG 14 2HH2 ARG 14 14.960 -1.608 4.119
152 H ALA 15 H ALA 15 20.222 -4.579 -1.905
153 HA ALA 15 HA ALA 15 19.973 -6.906 -3.570
154 1HB ALA 15 2HB ALA 15 19.486 -4.500 -4.239
155 2HB ALA 15 1HB ALA 15 21.218 -4.234 -4.342
156 3HB ALA 15 3HB ALA 15 20.442 -5.402 -5.401
157 NH1 ARG 16 NH2 ARG 16 28.532 -4.460 0.313
158 NH2 ARG 16 NH1 ARG 16 27.414 -6.169 1.267
159 H ARG 16 H ARG 16 22.793 -4.877 -2.780
160 HA ARG 16 HA ARG 16 24.630 -6.817 -3.988
161 1HB ARG 16 2HB ARG 16 26.399 -5.218 -3.271
162 2HB ARG 16 1HB ARG 16 25.139 -4.454 -4.206
163 1HG ARG 16 2HG ARG 16 24.865 -2.933 -2.573
164 2HG ARG 16 1HG ARG 16 24.252 -4.187 -1.531
165 1HD ARG 16 2HD ARG 16 27.242 -3.747 -1.809
166 2HD ARG 16 1HD ARG 16 26.282 -2.814 -0.664
167 HE ARG 16 HE ARG 16 25.558 -5.428 -0.136
168 1HH1 ARG 16 1HH2 ARG 16 28.561 -3.686 -0.319
169 2HH1 ARG 16 2HH2 ARG 16 29.341 -4.698 0.852
170 1HH2 ARG 16 2HH1 ARG 16 26.581 -6.712 1.373
171 2HH2 ARG 16 1HH1 ARG 16 28.230 -6.399 1.798
172 H GLN 17 H GLN 17 23.021 -6.935 -1.133
173 HA GLN 17 HA GLN 17 25.134 -7.605 0.707
174 1HB GLN 17 2HB GLN 17 22.266 -7.357 0.800
175 2HB GLN 17 1HB GLN 17 22.637 -8.966 1.364
176 1HG GLN 17 2HG GLN 17 22.768 -7.734 3.350
177 2HG GLN 17 1HG GLN 17 24.455 -7.773 2.871
178 1HE2 GLN 17 2HE2 GLN 17 24.524 -4.304 1.942
179 2HE2 GLN 17 1HE2 GLN 17 25.226 -5.807 1.592
180 NH1 ARG 18 NH1 ARG 18 24.909 -16.572 -0.603
181 NH2 ARG 18 NH2 ARG 18 27.076 -16.246 -1.140
182 H ARG 18 H ARG 18 23.533 -9.297 -1.784
183 HA ARG 18 HA ARG 18 25.249 -11.647 -1.402
184 1HB ARG 18 2HB ARG 18 22.922 -11.877 -0.107
185 2HB ARG 18 1HB ARG 18 22.262 -12.140 -1.703
186 1HG ARG 18 2HG ARG 18 22.758 -14.321 -0.952
187 2HG ARG 18 1HG ARG 18 24.116 -13.944 -1.987
188 1HD ARG 18 2HD ARG 18 24.824 -12.976 0.624
189 2HD ARG 18 1HD ARG 18 24.141 -14.575 0.860
190 HE ARG 18 HE ARG 18 26.648 -13.939 -0.465
191 1HH1 ARG 18 1HH1 ARG 18 24.035 -16.219 -0.272
192 2HH1 ARG 18 2HH1 ARG 18 24.995 -17.535 -0.855
193 1HH2 ARG 18 1HH2 ARG 18 27.869 -15.643 -1.226
194 2HH2 ARG 18 2HH2 ARG 18 27.153 -17.210 -1.390
195 1H NH2 19 1HN NH2 18 23.111 -9.703 -3.361
196 2H NH2 19 2HN NH2 18 23.503 -10.416 -4.853
Start of MODEL 12
Raw file had 196 H/Q atoms
Start of MODEL 12
1 1H2 SIN 1 1H2 SIN 1 10.857 11.472 1.205
2 2H2 SIN 1 2H2 SIN 1 11.098 12.560 2.565
3 1H3 SIN 1 1H3 SIN 1 12.607 12.759 -0.087
4 2H3 SIN 1 2H3 SIN 1 12.735 13.881 1.261
5 H THR 2 H THR 2 12.919 12.374 3.803
6 HA THR 2 HA THR 2 15.277 10.921 3.170
7 HB THR 2 HB THR 2 14.096 11.412 5.978
8 HG1 THR 2 HG1 THR 2 14.249 13.250 4.618
9 1HG2 THR 2 1HG2 THR 2 16.979 11.128 4.917
10 2HG2 THR 2 3HG2 THR 2 16.558 11.548 6.570
11 3HG2 THR 2 2HG2 THR 2 16.185 9.951 5.949
12 NH1 ARG 3 NH2 ARG 3 10.835 4.098 8.519
13 NH2 ARG 3 NH1 ARG 3 9.908 4.964 10.383
14 H ARG 3 H ARG 3 12.365 9.981 4.893
15 HA ARG 3 HA ARG 3 13.149 7.273 5.446
16 1HB ARG 3 2HB ARG 3 11.153 8.761 6.405
17 2HB ARG 3 1HB ARG 3 10.251 8.072 5.073
18 1HG ARG 3 2HG ARG 3 9.865 6.572 6.873
19 2HG ARG 3 1HG ARG 3 11.073 5.757 5.905
20 1HD ARG 3 2HD ARG 3 12.584 5.791 7.637
21 2HD ARG 3 1HD ARG 3 12.370 7.516 7.876
22 HE ARG 3 HE ARG 3 10.853 7.067 9.597
23 1HH1 ARG 3 1HH2 ARG 3 11.363 4.210 7.677
24 2HH1 ARG 3 2HH2 ARG 3 10.485 3.197 8.772
25 1HH2 ARG 3 2HH1 ARG 3 9.726 5.745 10.979
26 2HH2 ARG 3 1HH1 ARG 3 9.558 4.058 10.622
27 H GLN 4 H GLN 4 11.433 8.838 2.847
28 HA GLN 4 HA GLN 4 10.645 6.515 1.372
29 1HB GLN 4 2HB GLN 4 9.858 8.985 1.132
30 2HB GLN 4 1HB GLN 4 11.294 9.231 0.155
31 1HG GLN 4 2HG GLN 4 10.549 7.484 -1.434
32 2HG GLN 4 1HG GLN 4 9.149 7.137 -0.425
33 1HE2 GLN 4 2HE2 GLN 4 9.246 10.673 -2.529
34 2HE2 GLN 4 1HE2 GLN 4 10.707 9.920 -2.105
35 H ALA 5 H ALA 5 13.582 8.219 1.725
36 HA ALA 5 HA ALA 5 14.905 6.876 -0.567
37 1HB ALA 5 3HB ALA 5 15.264 9.311 -0.262
38 2HB ALA 5 2HB ALA 5 15.912 9.021 1.345
39 3HB ALA 5 1HB ALA 5 16.771 8.430 -0.070
40 NH1 ARG 6 NH1 ARG 6 16.780 5.507 8.636
41 NH2 ARG 6 NH2 ARG 6 18.020 7.181 9.495
42 H ARG 6 H ARG 6 14.551 6.626 2.823
43 HA ARG 6 HA ARG 6 17.049 5.258 3.408
44 1HB ARG 6 2HB ARG 6 14.472 5.770 4.885
45 2HB ARG 6 1HB ARG 6 15.561 4.557 5.516
46 1HG ARG 6 2HG ARG 6 17.308 6.084 5.896
47 2HG ARG 6 1HG ARG 6 16.646 7.294 4.820
48 1HD ARG 6 2HD ARG 6 15.103 8.061 6.403
49 2HD ARG 6 1HD ARG 6 14.942 6.499 7.187
50 HE ARG 6 HE ARG 6 16.948 8.543 7.778
51 1HH1 ARG 6 2HH1 ARG 6 16.109 5.172 7.974
52 2HH1 ARG 6 1HH1 ARG 6 17.172 4.881 9.309
53 1HH2 ARG 6 1HH2 ARG 6 18.306 8.139 9.495
54 2HH2 ARG 6 2HH2 ARG 6 18.407 6.543 10.161
55 NH1 ARG 7 NH2 ARG 7 9.988 2.912 -1.505
56 NH2 ARG 7 NH1 ARG 7 8.835 1.079 -0.883
57 H ARG 7 H ARG 7 13.791 4.311 2.593
58 HA ARG 7 HA ARG 7 14.141 1.476 3.057
59 1HB ARG 7 2HB ARG 7 11.990 1.289 1.765
60 2HB ARG 7 1HB ARG 7 11.888 2.483 3.044
61 1HG ARG 7 2HG ARG 7 12.506 4.249 1.245
62 2HG ARG 7 1HG ARG 7 12.205 2.998 0.057
63 1HD ARG 7 2HD ARG 7 10.169 3.879 2.159
64 2HD ARG 7 1HD ARG 7 10.190 4.474 0.507
65 HE ARG 7 HE ARG 7 9.313 1.831 1.387
66 1HH1 ARG 7 1HH2 ARG 7 10.509 3.733 -1.273
67 2HH1 ARG 7 2HH2 ARG 7 9.832 2.674 -2.463
68 1HH2 ARG 7 2HH1 ARG 7 8.462 0.489 -0.167
69 2HH2 ARG 7 1HH1 ARG 7 8.693 0.852 -1.846
70 H ASN 8 H ASN 8 14.569 3.718 0.463
71 HA ASN 8 HA ASN 8 15.055 1.758 -1.595
72 1HB ASN 8 2HB ASN 8 14.273 4.169 -1.980
73 2HB ASN 8 1HB ASN 8 15.900 4.696 -1.570
74 1HD2 ASN 8 2HD2 ASN 8 17.349 3.501 -4.597
75 2HD2 ASN 8 1HD2 ASN 8 17.680 3.926 -2.987
76 NH1 ARG 9 NH1 ARG 9 22.501 4.327 -1.266
77 NH2 ARG 9 NH2 ARG 9 22.705 2.090 -1.096
78 H ARG 9 H ARG 9 16.963 3.654 0.611
79 HA ARG 9 HA ARG 9 19.574 3.029 -0.400
80 1HB ARG 9 2HB ARG 9 18.425 4.440 1.898
81 2HB ARG 9 1HB ARG 9 19.738 3.442 2.446
82 1HG ARG 9 2HG ARG 9 20.226 5.092 -0.030
83 2HG ARG 9 1HG ARG 9 20.105 5.937 1.497
84 1HD ARG 9 2HD ARG 9 22.468 5.323 1.106
85 2HD ARG 9 1HD ARG 9 21.849 4.413 2.476
86 HE ARG 9 HE ARG 9 22.045 2.436 1.224
87 1HH1 ARG 9 2HH1 ARG 9 22.291 5.215 -0.856
88 2HH1 ARG 9 1HH1 ARG 9 22.766 4.272 -2.229
89 1HH2 ARG 9 1HH2 ARG 9 22.653 1.251 -0.555
90 2HH2 ARG 9 2HH2 ARG 9 22.967 2.049 -2.059
91 H ALA 10 H ALA 10 17.476 1.607 1.982
92 HA ALA 10 HA ALA 10 19.323 -0.457 2.796
93 1HB ALA 10 3HB ALA 10 16.281 -0.281 3.089
94 2HB ALA 10 2HB ALA 10 17.309 -1.405 3.968
95 3HB ALA 10 1HB ALA 10 17.439 0.319 4.265
96 NH1 ARG 11 NH1 ARG 11 17.051 -1.302 -5.140
97 NH2 ARG 11 NH2 ARG 11 16.990 0.944 -5.012
98 H ARG 11 H ARG 11 16.805 -0.194 0.443
99 HA ARG 11 HA ARG 11 16.722 -2.982 -0.265
100 1HB ARG 11 2HB ARG 11 14.900 -1.379 -0.851
101 2HB ARG 11 1HB ARG 11 16.017 -0.442 -1.815
102 1HG ARG 11 2HG ARG 11 16.314 -2.728 -3.173
103 2HG ARG 11 1HG ARG 11 14.823 -3.170 -2.378
104 1HD ARG 11 2HD ARG 11 14.504 -2.114 -4.669
105 2HD ARG 11 1HD ARG 11 13.634 -1.300 -3.379
106 HE ARG 11 HE ARG 11 14.897 0.601 -3.829
107 1HH1 ARG 11 2HH1 ARG 11 16.647 -2.197 -4.949
108 2HH1 ARG 11 1HH1 ARG 11 17.920 -1.243 -5.632
109 1HH2 ARG 11 1HH2 ARG 11 16.538 1.786 -4.720
110 2HH2 ARG 11 2HH2 ARG 11 17.859 0.989 -5.504
111 NH1 ARG 12 NH2 ARG 12 21.428 2.437 -6.062
112 NH2 ARG 12 NH1 ARG 12 23.353 3.102 -5.097
113 H ARG 12 H ARG 12 18.703 -0.278 -1.128
114 HA ARG 12 HA ARG 12 20.003 -1.534 -3.380
115 1HB ARG 12 2HB ARG 12 20.588 0.898 -1.662
116 2HB ARG 12 1HB ARG 12 21.740 0.374 -2.881
117 1HG ARG 12 2HG ARG 12 20.151 0.663 -4.661
118 2HG ARG 12 1HG ARG 12 18.821 0.814 -3.533
119 1HD ARG 12 2HD ARG 12 19.481 3.046 -4.424
120 2HD ARG 12 1HD ARG 12 19.732 2.959 -2.685
121 HE ARG 12 HE ARG 12 22.033 3.173 -3.052
122 1HH1 ARG 12 1HH2 ARG 12 20.456 2.209 -5.998
123 2HH1 ARG 12 2HH2 ARG 12 21.896 2.382 -6.944
124 1HH2 ARG 12 2HH1 ARG 12 23.866 3.387 -4.287
125 2HH2 ARG 12 1HH1 ARG 12 23.810 3.042 -5.984
126 CH2 TRP 13 CH2 TRP 13 20.134 -4.179 5.418
127 H TRP 13 H TRP 13 21.066 -0.948 -0.035
128 HA TRP 13 HA TRP 13 23.475 -2.515 -0.463
129 1HB TRP 13 2HB TRP 13 23.942 -2.240 1.889
130 2HB TRP 13 1HB TRP 13 23.303 -0.743 1.275
131 HD1 TRP 13 HD1 TRP 13 21.930 0.524 2.873
132 HE1 TRP 13 HE1 TRP 13 20.484 -0.077 4.804
133 HE3 TRP 13 HE3 TRP 13 22.175 -4.575 2.760
134 HZ2 TRP 13 HZ2 TRP 13 19.480 -2.292 6.203
135 HZ3 TRP 13 HZ3 TRP 13 20.948 -5.891 4.417
136 HH2 TRP 13 HH2 TRP 13 19.596 -4.762 6.150
137 NH1 ARG 14 NH1 ARG 14 18.639 -8.815 -1.618
138 NH2 ARG 14 NH2 ARG 14 17.396 -10.541 -0.879
139 H ARG 14 H ARG 14 20.205 -3.311 0.316
140 HA ARG 14 HA ARG 14 20.784 -5.923 1.480
141 1HB ARG 14 2HB ARG 14 18.652 -4.794 1.972
142 2HB ARG 14 1HB ARG 14 18.247 -4.723 0.270
143 1HG ARG 14 2HG ARG 14 18.850 -7.479 1.252
144 2HG ARG 14 1HG ARG 14 17.489 -6.732 2.060
145 1HD ARG 14 2HD ARG 14 16.244 -6.496 0.070
146 2HD ARG 14 1HD ARG 14 17.648 -6.654 -0.972
147 HE ARG 14 HE ARG 14 16.230 -8.856 0.424
148 1HH1 ARG 14 2HH1 ARG 14 18.861 -7.841 -1.624
149 2HH1 ARG 14 1HH1 ARG 14 19.167 -9.447 -2.185
150 1HH2 ARG 14 1HH2 ARG 14 16.653 -10.898 -0.313
151 2HH2 ARG 14 2HH2 ARG 14 17.931 -11.162 -1.451
152 H ALA 15 H ALA 15 19.896 -4.607 -1.648
153 HA ALA 15 HA ALA 15 19.770 -7.090 -3.098
154 1HB ALA 15 1HB ALA 15 20.266 -4.221 -3.999
155 2HB ALA 15 3HB ALA 15 20.028 -5.559 -5.114
156 3HB ALA 15 2HB ALA 15 18.738 -5.086 -4.024
157 NH1 ARG 16 NH1 ARG 16 27.290 -6.912 -0.529
158 NH2 ARG 16 NH2 ARG 16 29.534 -6.755 -0.669
159 H ARG 16 H ARG 16 22.277 -4.842 -2.284
160 HA ARG 16 HA ARG 16 24.373 -5.902 -3.948
161 1HB ARG 16 2HB ARG 16 24.416 -3.618 -2.944
162 2HB ARG 16 1HB ARG 16 24.470 -4.314 -1.344
163 1HG ARG 16 2HG ARG 16 26.648 -5.492 -2.827
164 2HG ARG 16 1HG ARG 16 26.658 -3.784 -3.193
165 1HD ARG 16 2HD ARG 16 27.135 -3.150 -1.008
166 2HD ARG 16 1HD ARG 16 26.337 -4.535 -0.284
167 HE ARG 16 HE ARG 16 29.106 -4.406 -1.164
168 1HH1 ARG 16 2HH1 ARG 16 26.384 -6.492 -0.581
169 2HH1 ARG 16 1HH1 ARG 16 27.376 -7.885 -0.318
170 1HH2 ARG 16 1HH2 ARG 16 30.358 -6.212 -0.826
171 2HH2 ARG 16 2HH2 ARG 16 29.612 -7.730 -0.458
172 H GLN 17 H GLN 17 23.291 -6.402 -0.669
173 HA GLN 17 HA GLN 17 25.280 -8.465 -0.053
174 1HB GLN 17 2HB GLN 17 22.855 -7.395 1.445
175 2HB GLN 17 1HB GLN 17 23.904 -8.634 2.097
176 1HG GLN 17 2HG GLN 17 25.187 -6.073 1.112
177 2HG GLN 17 1HG GLN 17 24.329 -6.047 2.640
178 1HE2 GLN 17 2HE2 GLN 17 26.964 -7.567 4.362
179 2HE2 GLN 17 1HE2 GLN 17 25.548 -6.633 4.412
180 NH1 ARG 18 NH1 ARG 18 24.414 -15.108 -5.780
181 NH2 ARG 18 NH2 ARG 18 22.502 -15.676 -6.835
182 H ARG 18 H ARG 18 22.552 -8.433 -1.860
183 HA ARG 18 HA ARG 18 21.186 -10.048 -2.780
184 1HB ARG 18 2HB ARG 18 23.619 -11.247 -2.615
185 2HB ARG 18 1HB ARG 18 22.772 -12.290 -1.493
186 1HG ARG 18 2HG ARG 18 21.244 -13.045 -3.161
187 2HG ARG 18 1HG ARG 18 21.597 -11.702 -4.232
188 1HD ARG 18 2HD ARG 18 23.836 -12.590 -4.691
189 2HD ARG 18 1HD ARG 18 23.612 -13.865 -3.490
190 HE ARG 18 HE ARG 18 21.484 -13.994 -5.390
191 1HH1 ARG 18 1HH1 ARG 18 24.900 -14.557 -5.101
192 2HH1 ARG 18 2HH1 ARG 18 24.911 -15.777 -6.332
193 1HH2 ARG 18 1HH2 ARG 18 21.519 -15.562 -6.968
194 2HH2 ARG 18 2HH2 ARG 18 23.007 -16.344 -7.382
195 1H NH2 19 1HN NH2 18 20.055 -12.401 -1.900
196 2H NH2 19 2HN NH2 18 19.313 -12.177 -0.390
Start of MODEL 13
Raw file had 196 H/Q atoms
Start of MODEL 13
1 1H2 SIN 1 1H2 SIN 1 10.827 11.778 -1.847
2 2H2 SIN 1 2H2 SIN 1 11.556 12.480 -3.279
3 1H3 SIN 1 1H3 SIN 1 11.434 10.092 -4.315
4 2H3 SIN 1 2H3 SIN 1 9.921 10.963 -4.150
5 H THR 2 H THR 2 13.660 12.172 -3.660
6 HA THR 2 HA THR 2 15.357 10.086 -2.928
7 HB THR 2 HB THR 2 16.122 13.062 -3.144
8 HG1 THR 2 HG1 THR 2 15.757 10.920 -4.973
9 1HG2 THR 2 3HG2 THR 2 17.663 10.432 -3.597
10 2HG2 THR 2 2HG2 THR 2 18.248 12.008 -4.108
11 3HG2 THR 2 1HG2 THR 2 18.061 11.656 -2.400
12 NH1 ARG 3 NH2 ARG 3 18.634 13.572 1.921
13 NH2 ARG 3 NH1 ARG 3 18.056 14.296 3.972
14 H ARG 3 H ARG 3 14.343 12.809 -1.010
15 HA ARG 3 HA ARG 3 16.199 12.484 1.155
16 1HB ARG 3 2HB ARG 3 13.391 13.687 1.157
17 2HB ARG 3 1HB ARG 3 14.580 13.931 2.417
18 1HG ARG 3 2HG ARG 3 14.800 14.852 -0.492
19 2HG ARG 3 1HG ARG 3 14.561 15.874 0.907
20 1HD ARG 3 2HD ARG 3 17.064 14.302 0.198
21 2HD ARG 3 1HD ARG 3 16.898 16.043 0.356
22 HE ARG 3 HE ARG 3 16.330 15.542 2.825
23 1HH1 ARG 3 1HH2 ARG 3 18.504 13.553 0.931
24 2HH1 ARG 3 2HH2 ARG 3 19.367 13.032 2.334
25 1HH2 ARG 3 2HH1 ARG 3 17.469 14.843 4.567
26 2HH2 ARG 3 1HH1 ARG 3 18.796 13.750 4.364
27 H GLN 4 H GLN 4 12.859 11.391 0.714
28 HA GLN 4 HA GLN 4 12.965 9.764 3.169
29 1HB GLN 4 2HB GLN 4 10.607 9.187 2.577
30 2HB GLN 4 1HB GLN 4 10.870 10.916 2.626
31 1HG GLN 4 2HG GLN 4 10.959 11.063 0.204
32 2HG GLN 4 1HG GLN 4 10.971 9.310 0.036
33 1HE2 GLN 4 2HE2 GLN 4 7.478 8.960 0.528
34 2HE2 GLN 4 1HE2 GLN 4 8.968 8.146 0.504
35 H ALA 5 H ALA 5 14.381 9.281 0.349
36 HA ALA 5 HA ALA 5 13.514 6.538 -0.242
37 1HB ALA 5 3HB ALA 5 14.312 8.283 -1.955
38 2HB ALA 5 2HB ALA 5 15.939 7.979 -1.368
39 3HB ALA 5 1HB ALA 5 15.007 6.685 -2.109
40 NH1 ARG 6 NH2 ARG 6 16.594 1.839 5.913
41 NH2 ARG 6 NH1 ARG 6 18.704 1.560 5.170
42 H ARG 6 H ARG 6 14.593 7.095 2.409
43 HA ARG 6 HA ARG 6 17.265 6.020 2.629
44 1HB ARG 6 2HB ARG 6 16.037 7.497 4.331
45 2HB ARG 6 1HB ARG 6 15.097 6.095 4.783
46 1HG ARG 6 2HG ARG 6 18.133 5.924 4.768
47 2HG ARG 6 1HG ARG 6 17.332 6.724 6.100
48 1HD ARG 6 2HD ARG 6 16.926 4.709 7.063
49 2HD ARG 6 1HD ARG 6 15.925 4.247 5.692
50 HE ARG 6 HE ARG 6 18.829 3.982 5.283
51 1HH1 ARG 6 1HH2 ARG 6 15.846 2.432 6.208
52 2HH1 ARG 6 2HH2 ARG 6 16.465 0.846 5.891
53 1HH2 ARG 6 2HH1 ARG 6 19.585 1.942 4.892
54 2HH2 ARG 6 1HH1 ARG 6 18.562 0.570 5.155
55 NH1 ARG 7 NH2 ARG 7 12.948 -1.289 1.327
56 NH2 ARG 7 NH1 ARG 7 12.776 -0.266 -0.674
57 H ARG 7 H ARG 7 14.019 4.709 2.760
58 HA ARG 7 HA ARG 7 14.752 2.057 3.611
59 1HB ARG 7 2HB ARG 7 12.412 3.238 3.647
60 2HB ARG 7 1HB ARG 7 12.290 2.771 1.967
61 1HG ARG 7 2HG ARG 7 13.155 0.408 3.345
62 2HG ARG 7 1HG ARG 7 11.972 1.143 4.403
63 1HD ARG 7 2HD ARG 7 10.928 -0.471 2.786
64 2HD ARG 7 1HD ARG 7 10.298 1.157 2.594
65 HE ARG 7 HE ARG 7 11.265 1.244 0.466
66 1HH1 ARG 7 1HH2 ARG 7 12.702 -1.355 2.294
67 2HH1 ARG 7 2HH2 ARG 7 13.582 -1.951 0.926
68 1HH2 ARG 7 2HH1 ARG 7 12.397 0.462 -1.244
69 2HH2 ARG 7 1HH1 ARG 7 13.405 -0.935 -1.068
70 H ASN 8 H ASN 8 14.465 3.770 0.602
71 HA ASN 8 HA ASN 8 14.622 1.525 -1.146
72 1HB ASN 8 2HB ASN 8 13.932 3.773 -1.986
73 2HB ASN 8 1HB ASN 8 15.504 4.429 -1.580
74 1HD2 ASN 8 2HD2 ASN 8 15.008 2.643 -5.136
75 2HD2 ASN 8 1HD2 ASN 8 13.716 2.990 -4.094
76 NH1 ARG 9 NH1 ARG 9 19.154 4.607 -3.243
77 NH2 ARG 9 NH2 ARG 9 17.455 5.805 -2.392
78 H ARG 9 H ARG 9 16.896 3.543 0.522
79 HA ARG 9 HA ARG 9 19.317 2.572 -0.665
80 1HB ARG 9 2HB ARG 9 18.630 4.578 1.194
81 2HB ARG 9 1HB ARG 9 19.494 3.433 2.187
82 1HG ARG 9 2HG ARG 9 21.027 5.132 1.247
83 2HG ARG 9 1HG ARG 9 21.444 3.526 0.694
84 1HD ARG 9 2HD ARG 9 21.349 5.544 -1.041
85 2HD ARG 9 1HD ARG 9 20.767 3.956 -1.512
86 HE ARG 9 HE ARG 9 18.809 5.889 -0.375
87 1HH1 ARG 9 2HH1 ARG 9 20.054 4.184 -3.153
88 2HH1 ARG 9 1HH1 ARG 9 18.651 4.530 -4.104
89 1HH2 ARG 9 1HH2 ARG 9 17.042 6.313 -1.637
90 2HH2 ARG 9 2HH2 ARG 9 16.968 5.714 -3.260
91 H ALA 10 H ALA 10 17.261 1.475 1.896
92 HA ALA 10 HA ALA 10 19.050 -0.485 3.043
93 1HB ALA 10 1HB ALA 10 16.505 0.508 3.680
94 2HB ALA 10 3HB ALA 10 16.153 -1.134 3.178
95 3HB ALA 10 2HB ALA 10 17.284 -0.842 4.487
96 NH1 ARG 11 NH2 ARG 11 12.001 -0.450 -4.171
97 NH2 ARG 11 NH1 ARG 11 12.445 1.533 -3.200
98 H ARG 11 H ARG 11 16.653 -0.418 0.531
99 HA ARG 11 HA ARG 11 16.656 -3.211 -0.152
100 1HB ARG 11 2HB ARG 11 14.802 -2.367 -1.180
101 2HB ARG 11 1HB ARG 11 15.384 -0.726 -1.045
102 1HG ARG 11 2HG ARG 11 16.584 -0.885 -3.166
103 2HG ARG 11 1HG ARG 11 16.279 -2.610 -3.269
104 1HD ARG 11 2HD ARG 11 14.698 -1.435 -4.723
105 2HD ARG 11 1HD ARG 11 13.816 -2.139 -3.371
106 HE ARG 11 HE ARG 11 14.661 0.579 -2.809
107 1HH1 ARG 11 1HH2 ARG 11 12.287 -1.367 -4.448
108 2HH1 ARG 11 2HH2 ARG 11 11.073 -0.137 -4.369
109 1HH2 ARG 11 2HH1 ARG 11 13.077 2.144 -2.724
110 2HH2 ARG 11 1HH1 ARG 11 11.514 1.834 -3.405
111 NH1 ARG 12 NH2 ARG 12 22.542 2.469 -4.183
112 NH2 ARG 12 NH1 ARG 12 21.832 4.526 -4.763
113 H ARG 12 H ARG 12 18.460 -0.405 -1.195
114 HA ARG 12 HA ARG 12 19.855 -1.602 -3.400
115 1HB ARG 12 2HB ARG 12 20.544 0.757 -1.592
116 2HB ARG 12 1HB ARG 12 21.486 0.325 -2.995
117 1HG ARG 12 2HG ARG 12 18.560 0.535 -3.548
118 2HG ARG 12 1HG ARG 12 19.263 2.026 -2.973
119 1HD ARG 12 2HD ARG 12 20.939 0.730 -5.064
120 2HD ARG 12 1HD ARG 12 19.318 1.112 -5.608
121 HE ARG 12 HE ARG 12 19.746 3.414 -5.315
122 1HH1 ARG 12 1HH2 ARG 12 22.381 1.488 -4.085
123 2HH1 ARG 12 2HH2 ARG 12 23.429 2.856 -3.931
124 1HH2 ARG 12 1HH1 ARG 12 22.725 4.898 -4.510
125 2HH2 ARG 12 2HH1 ARG 12 21.117 5.132 -5.111
126 CH2 TRP 13 CH2 TRP 13 22.994 -6.119 5.162
127 H TRP 13 H TRP 13 20.547 -1.223 0.017
128 HA TRP 13 HA TRP 13 23.157 -2.428 -0.032
129 1HB TRP 13 2HB TRP 13 22.395 -1.004 1.869
130 2HB TRP 13 1HB TRP 13 21.161 -2.189 2.280
131 HD1 TRP 13 HD1 TRP 13 25.045 -1.792 2.169
132 HE1 TRP 13 HE1 TRP 13 25.960 -3.546 3.692
133 HE3 TRP 13 HE3 TRP 13 20.808 -4.274 3.344
134 HZ2 TRP 13 HZ2 TRP 13 25.111 -5.774 5.269
135 HZ3 TRP 13 HZ3 TRP 13 20.871 -6.217 4.865
136 HH2 TRP 13 HH2 TRP 13 23.019 -6.969 5.827
137 NH1 ARG 14 NH2 ARG 14 20.111 -9.940 2.875
138 NH2 ARG 14 NH1 ARG 14 20.657 -8.966 4.833
139 H ARG 14 H ARG 14 19.901 -3.623 0.154
140 HA ARG 14 HA ARG 14 20.620 -6.334 0.934
141 1HB ARG 14 2HB ARG 14 18.127 -4.848 0.230
142 2HB ARG 14 1HB ARG 14 18.094 -6.530 -0.247
143 1HG ARG 14 2HG ARG 14 18.874 -5.610 2.547
144 2HG ARG 14 1HG ARG 14 17.235 -6.035 2.106
145 1HD ARG 14 2HD ARG 14 17.677 -8.293 2.177
146 2HD ARG 14 1HD ARG 14 19.195 -8.119 1.302
147 HE ARG 14 HE ARG 14 19.309 -7.113 4.038
148 1HH1 ARG 14 1HH2 ARG 14 19.635 -9.920 1.996
149 2HH1 ARG 14 2HH2 ARG 14 20.650 -10.742 3.131
150 1HH2 ARG 14 2HH1 ARG 14 20.601 -8.193 5.464
151 2HH2 ARG 14 1HH1 ARG 14 21.193 -9.775 5.078
152 H ALA 15 H ALA 15 20.267 -4.546 -2.014
153 HA ALA 15 HA ALA 15 20.205 -6.819 -3.820
154 1HB ALA 15 2HB ALA 15 19.509 -4.386 -4.359
155 2HB ALA 15 1HB ALA 15 21.221 -4.008 -4.454
156 3HB ALA 15 3HB ALA 15 20.514 -5.165 -5.570
157 NH1 ARG 16 NH2 ARG 16 26.854 -5.540 2.504
158 NH2 ARG 16 NH1 ARG 16 27.737 -7.480 1.766
159 H ARG 16 H ARG 16 22.553 -4.840 -2.274
160 HA ARG 16 HA ARG 16 24.903 -5.976 -3.602
161 1HB ARG 16 2HB ARG 16 25.041 -3.664 -3.005
162 2HB ARG 16 1HB ARG 16 24.387 -3.929 -1.411
163 1HG ARG 16 2HG ARG 16 27.003 -5.286 -2.087
164 2HG ARG 16 1HG ARG 16 27.023 -3.552 -1.880
165 1HD ARG 16 2HD ARG 16 27.079 -3.830 0.372
166 2HD ARG 16 1HD ARG 16 25.479 -4.557 0.325
167 HE ARG 16 HE ARG 16 27.355 -6.539 -0.450
168 1HH1 ARG 16 1HH2 ARG 16 26.457 -4.641 2.319
169 2HH1 ARG 16 2HH2 ARG 16 26.973 -5.849 3.448
170 1HH2 ARG 16 2HH1 ARG 16 28.018 -8.075 1.014
171 2HH2 ARG 16 1HH1 ARG 16 27.853 -7.780 2.714
172 H GLN 17 H GLN 17 22.997 -6.447 -0.780
173 HA GLN 17 HA GLN 17 24.698 -8.739 0.098
174 1HB GLN 17 2HB GLN 17 24.634 -6.495 1.573
175 2HB GLN 17 1HB GLN 17 23.088 -7.094 2.102
176 1HG GLN 17 2HG GLN 17 25.497 -8.951 2.158
177 2HG GLN 17 1HG GLN 17 25.273 -7.769 3.433
178 1HE2 GLN 17 2HE2 GLN 17 22.632 -10.900 3.135
179 2HE2 GLN 17 1HE2 GLN 17 23.567 -10.472 1.785
180 NH1 ARG 18 NH1 ARG 18 19.312 -11.993 -5.315
181 NH2 ARG 18 NH2 ARG 18 19.007 -10.574 -7.038
182 H ARG 18 H ARG 18 23.294 -9.899 -1.291
183 HA ARG 18 HA ARG 18 20.434 -10.036 -0.834
184 1HB ARG 18 2HB ARG 18 22.379 -11.849 -2.327
185 2HB ARG 18 1HB ARG 18 20.649 -12.114 -2.324
186 1HG ARG 18 2HG ARG 18 21.875 -9.452 -3.170
187 2HG ARG 18 1HG ARG 18 21.636 -10.762 -4.301
188 1HD ARG 18 2HD ARG 18 19.118 -10.641 -3.124
189 2HD ARG 18 1HD ARG 18 19.614 -8.961 -3.052
190 HE ARG 18 HE ARG 18 19.449 -8.836 -5.382
191 1HH1 ARG 18 1HH1 ARG 18 19.518 -12.158 -4.350
192 2HH1 ARG 18 2HH1 ARG 18 19.137 -12.764 -5.927
193 1HH2 ARG 18 1HH2 ARG 18 18.973 -9.643 -7.403
194 2HH2 ARG 18 2HH2 ARG 18 18.838 -11.354 -7.640
195 1H NH2 19 1HN NH2 18 19.264 -11.607 0.366
196 2H NH2 19 2HN NH2 18 20.010 -12.673 1.457
Start of MODEL 14
Raw file had 196 H/Q atoms
Start of MODEL 14
1 1H2 SIN 1 1H2 SIN 1 13.446 13.119 -0.284
2 2H2 SIN 1 2H2 SIN 1 14.680 13.952 -1.217
3 1H3 SIN 1 1H3 SIN 1 12.589 13.639 -2.569
4 2H3 SIN 1 2H3 SIN 1 12.700 11.904 -2.342
5 H THR 2 H THR 2 16.204 12.602 -2.362
6 HA THR 2 HA THR 2 16.693 9.861 -1.916
7 HB THR 2 HB THR 2 18.707 12.097 -2.557
8 HG1 THR 2 HG1 THR 2 16.739 11.808 -3.828
9 1HG2 THR 2 2HG2 THR 2 18.687 9.048 -2.984
10 2HG2 THR 2 1HG2 THR 2 19.733 10.125 -3.894
11 3HG2 THR 2 3HG2 THR 2 19.934 9.972 -2.158
12 NH1 ARG 3 NH1 ARG 3 20.293 16.889 3.249
13 NH2 ARG 3 NH2 ARG 3 22.526 16.684 2.717
14 H ARG 3 H ARG 3 17.578 12.661 -0.072
15 HA ARG 3 HA ARG 3 19.469 11.455 1.710
16 1HB ARG 3 2HB ARG 3 18.929 13.975 1.258
17 2HB ARG 3 1HB ARG 3 17.634 13.781 2.409
18 1HG ARG 3 2HG ARG 3 19.294 14.447 3.886
19 2HG ARG 3 1HG ARG 3 19.610 12.728 3.926
20 1HD ARG 3 2HD ARG 3 21.715 13.924 3.523
21 2HD ARG 3 1HD ARG 3 21.292 13.104 2.090
22 HE ARG 3 HE ARG 3 20.999 14.628 1.155
23 1HH1 ARG 3 2HH1 ARG 3 19.397 16.499 3.179
24 2HH1 ARG 3 1HH1 ARG 3 20.486 17.706 3.776
25 1HH2 ARG 3 1HH2 ARG 3 23.288 16.160 2.284
26 2HH2 ARG 3 2HH2 ARG 3 22.776 17.509 3.236
27 H GLN 4 H GLN 4 16.010 11.742 1.693
28 HA GLN 4 HA GLN 4 15.734 10.331 4.299
29 1HB GLN 4 2HB GLN 4 13.926 12.058 2.592
30 2HB GLN 4 1HB GLN 4 13.202 10.955 3.744
31 1HG GLN 4 2HG GLN 4 13.492 13.115 4.835
32 2HG GLN 4 1HG GLN 4 14.602 11.974 5.575
33 1HE2 GLN 4 2HE2 GLN 4 17.490 13.725 4.565
34 2HE2 GLN 4 1HE2 GLN 4 16.858 12.353 5.338
35 H ALA 5 H ALA 5 16.144 9.450 1.225
36 HA ALA 5 HA ALA 5 14.054 7.368 1.025
37 1HB ALA 5 2HB ALA 5 14.847 8.658 -0.983
38 2HB ALA 5 1HB ALA 5 16.441 7.944 -0.785
39 3HB ALA 5 3HB ALA 5 15.061 6.934 -1.176
40 NH1 ARG 6 NH1 ARG 6 20.421 6.343 8.344
41 NH2 ARG 6 NH2 ARG 6 20.828 7.664 6.501
42 H ARG 6 H ARG 6 15.210 6.870 3.259
43 HA ARG 6 HA ARG 6 17.596 5.241 3.172
44 1HB ARG 6 2HB ARG 6 16.719 6.586 5.159
45 2HB ARG 6 1HB ARG 6 15.481 5.369 5.358
46 1HG ARG 6 2HG ARG 6 17.144 4.626 6.846
47 2HG ARG 6 1HG ARG 6 17.488 3.648 5.440
48 1HD ARG 6 2HD ARG 6 19.608 4.549 6.170
49 2HD ARG 6 1HD ARG 6 19.157 5.529 4.817
50 HE ARG 6 HE ARG 6 18.010 6.685 6.317
51 1HH1 ARG 6 2HH1 ARG 6 19.809 5.714 8.765
52 2HH1 ARG 6 1HH1 ARG 6 21.307 6.595 8.725
53 1HH2 ARG 6 1HH2 ARG 6 20.568 8.005 5.565
54 2HH2 ARG 6 2HH2 ARG 6 21.733 7.950 6.833
55 NH1 ARG 7 NH2 ARG 7 10.437 5.153 0.667
56 NH2 ARG 7 NH1 ARG 7 8.568 5.307 1.994
57 H ARG 7 H ARG 7 14.168 4.599 2.990
58 HA ARG 7 HA ARG 7 14.297 1.748 3.436
59 1HB ARG 7 2HB ARG 7 12.224 3.304 1.819
60 2HB ARG 7 1HB ARG 7 11.997 1.730 2.553
61 1HG ARG 7 2HG ARG 7 11.985 2.634 4.772
62 2HG ARG 7 1HG ARG 7 12.644 4.168 4.255
63 1HD ARG 7 2HD ARG 7 9.921 3.186 3.266
64 2HD ARG 7 1HD ARG 7 10.107 4.187 4.723
65 HE ARG 7 HE ARG 7 11.555 5.445 3.242
66 1HH1 ARG 7 1HH2 ARG 7 11.437 4.988 0.561
67 2HH1 ARG 7 2HH2 ARG 7 9.910 5.156 -0.201
68 1HH2 ARG 7 2HH1 ARG 7 8.194 5.324 2.897
69 2HH2 ARG 7 1HH1 ARG 7 7.976 5.315 1.179
70 H ASN 8 H ASN 8 14.444 3.925 0.756
71 HA ASN 8 HA ASN 8 14.509 1.974 -1.334
72 1HB ASN 8 2HB ASN 8 15.638 4.816 -1.349
73 2HB ASN 8 1HB ASN 8 15.190 3.883 -2.769
74 1HD2 ASN 8 2HD2 ASN 8 12.281 5.577 -0.436
75 2HD2 ASN 8 1HD2 ASN 8 13.848 5.368 0.185
76 NH1 ARG 9 NH1 ARG 9 19.673 7.183 -1.209
77 NH2 ARG 9 NH2 ARG 9 21.710 6.909 -2.256
78 H ARG 9 H ARG 9 16.899 3.789 0.443
79 HA ARG 9 HA ARG 9 19.259 2.806 -0.817
80 1HB ARG 9 2HB ARG 9 18.979 4.814 0.791
81 2HB ARG 9 1HB ARG 9 19.036 3.654 2.096
82 1HG ARG 9 2HG ARG 9 21.306 3.736 2.025
83 2HG ARG 9 1HG ARG 9 21.273 2.996 0.442
84 1HD ARG 9 2HD ARG 9 21.100 5.983 0.966
85 2HD ARG 9 1HD ARG 9 22.449 5.122 0.311
86 HE ARG 9 HE ARG 9 20.909 4.282 -1.070
87 1HH1 ARG 9 2HH1 ARG 9 18.992 6.796 -0.615
88 2HH1 ARG 9 1HH1 ARG 9 19.605 8.105 -1.566
89 1HH2 ARG 9 1HH2 ARG 9 22.539 6.346 -2.426
90 2HH2 ARG 9 2HH2 ARG 9 21.689 7.834 -2.648
91 H ALA 10 H ALA 10 17.175 1.510 1.628
92 HA ALA 10 HA ALA 10 19.018 -0.483 2.602
93 1HB ALA 10 2HB ALA 10 16.840 0.340 3.777
94 2HB ALA 10 1HB ALA 10 15.964 -0.672 2.640
95 3HB ALA 10 3HB ALA 10 17.080 -1.399 3.782
96 NH1 ARG 11 NH2 ARG 11 11.283 -1.739 -1.019
97 NH2 ARG 11 NH1 ARG 11 10.735 -2.899 -2.934
98 H ARG 11 H ARG 11 16.658 -0.341 0.079
99 HA ARG 11 HA ARG 11 16.746 -3.133 -0.600
100 1HB ARG 11 2HB ARG 11 15.070 -1.179 -1.343
101 2HB ARG 11 1HB ARG 11 16.219 -0.930 -2.635
102 1HG ARG 11 2HG ARG 11 15.102 -2.550 -3.775
103 2HG ARG 11 1HG ARG 11 15.864 -3.703 -2.713
104 1HD ARG 11 2HD ARG 11 13.511 -4.121 -2.533
105 2HD ARG 11 1HD ARG 11 13.842 -3.210 -1.094
106 HE ARG 11 HE ARG 11 13.519 -1.842 -3.245
107 1HH1 ARG 11 1HH2 ARG 11 11.990 -1.298 -0.501
108 2HH1 ARG 11 2HH2 ARG 11 10.354 -1.837 -0.687
109 1HH2 ARG 11 2HH1 ARG 11 11.017 -3.332 -3.811
110 2HH2 ARG 11 1HH1 ARG 11 9.781 -3.024 -2.643
111 NH1 ARG 12 NH1 ARG 12 21.130 -1.439 -6.382
112 NH2 ARG 12 NH2 ARG 12 21.008 0.460 -7.683
113 H ARG 12 H ARG 12 18.780 -0.430 -1.194
114 HA ARG 12 HA ARG 12 20.254 -1.627 -3.397
115 1HB ARG 12 2HB ARG 12 21.064 0.700 -1.576
116 2HB ARG 12 1HB ARG 12 21.812 0.295 -3.098
117 1HG ARG 12 2HG ARG 12 18.912 1.165 -2.761
118 2HG ARG 12 1HG ARG 12 20.210 2.192 -3.314
119 1HD ARG 12 2HD ARG 12 19.170 -0.294 -4.756
120 2HD ARG 12 1HD ARG 12 19.035 1.359 -5.252
121 HE ARG 12 HE ARG 12 21.277 1.386 -4.909
122 1HH1 ARG 12 2HH1 ARG 12 21.120 -1.821 -5.479
123 2HH1 ARG 12 1HH1 ARG 12 21.162 -2.007 -7.198
124 1HH2 ARG 12 1HH2 ARG 12 20.883 1.467 -7.758
125 2HH2 ARG 12 2HH2 ARG 12 21.043 -0.057 -8.549
126 CH2 TRP 13 CH2 TRP 13 19.393 -4.268 5.231
127 H TRP 13 H TRP 13 20.977 -1.084 0.043
128 HA TRP 13 HA TRP 13 23.472 -2.569 -0.183
129 1HB TRP 13 2HB TRP 13 23.672 -2.373 2.239
130 2HB TRP 13 1HB TRP 13 23.142 -0.857 1.571
131 HD1 TRP 13 HD1 TRP 13 21.618 0.419 3.023
132 HE1 TRP 13 HE1 TRP 13 19.929 -0.174 4.747
133 HE3 TRP 13 HE3 TRP 13 21.738 -4.688 2.842
134 HZ2 TRP 13 HZ2 TRP 13 18.701 -2.375 5.962
135 HZ3 TRP 13 HZ3 TRP 13 20.277 -5.989 4.307
136 HH2 TRP 13 HH2 TRP 13 18.750 -4.845 5.879
137 NH1 ARG 14 NH1 ARG 14 15.402 -5.404 -0.336
138 NH2 ARG 14 NH2 ARG 14 15.263 -6.307 -2.449
139 H ARG 14 H ARG 14 20.185 -3.458 0.183
140 HA ARG 14 HA ARG 14 20.712 -6.094 1.355
141 1HB ARG 14 2HB ARG 14 18.572 -4.931 1.785
142 2HB ARG 14 1HB ARG 14 18.242 -4.832 0.092
143 1HG ARG 14 2HG ARG 14 18.697 -7.535 1.469
144 2HG ARG 14 1HG ARG 14 17.133 -6.750 1.577
145 1HD ARG 14 2HD ARG 14 18.399 -7.934 -0.819
146 2HD ARG 14 1HD ARG 14 16.798 -8.090 -0.297
147 HE ARG 14 HE ARG 14 18.061 -6.382 -1.892
148 1HH1 ARG 14 2HH1 ARG 14 15.956 -5.215 0.450
149 2HH1 ARG 14 1HH1 ARG 14 14.421 -5.191 -0.354
150 1HH2 ARG 14 1HH2 ARG 14 15.679 -6.833 -3.216
151 2HH2 ARG 14 2HH2 ARG 14 14.272 -6.120 -2.532
152 H ALA 15 H ALA 15 19.854 -4.739 -1.779
153 HA ALA 15 HA ALA 15 19.844 -7.201 -3.255
154 1HB ALA 15 3HB ALA 15 20.372 -4.324 -4.136
155 2HB ALA 15 2HB ALA 15 20.164 -5.661 -5.258
156 3HB ALA 15 1HB ALA 15 18.839 -5.180 -4.213
157 NH1 ARG 16 NH2 ARG 16 26.562 -1.788 0.358
158 NH2 ARG 16 NH1 ARG 16 28.567 -2.927 0.408
159 H ARG 16 H ARG 16 22.262 -4.857 -2.443
160 HA ARG 16 HA ARG 16 24.450 -6.195 -3.866
161 1HB ARG 16 2HB ARG 16 24.188 -3.663 -3.514
162 2HB ARG 16 1HB ARG 16 24.590 -3.936 -1.834
163 1HG ARG 16 2HG ARG 16 26.702 -5.235 -3.071
164 2HG ARG 16 1HG ARG 16 26.327 -4.027 -4.275
165 1HD ARG 16 2HD ARG 16 27.959 -3.150 -2.653
166 2HD ARG 16 1HD ARG 16 26.485 -2.252 -2.480
167 HE ARG 16 HE ARG 16 26.682 -4.533 -1.224
168 1HH1 ARG 16 1HH2 ARG 16 25.666 -1.714 -0.038
169 2HH1 ARG 16 2HH2 ARG 16 26.911 -1.131 1.014
170 1HH2 ARG 16 2HH1 ARG 16 29.161 -3.668 0.050
171 2HH2 ARG 16 1HH1 ARG 16 28.970 -2.292 1.078
172 H GLN 17 H GLN 17 22.856 -6.476 -0.946
173 HA GLN 17 HA GLN 17 23.292 -7.403 1.145
174 1HB GLN 17 2HB GLN 17 24.033 -9.791 0.898
175 2HB GLN 17 1HB GLN 17 22.776 -9.338 -0.226
176 1HG GLN 17 2HG GLN 17 24.358 -9.191 -2.077
177 2HG GLN 17 1HG GLN 17 25.732 -9.405 -0.995
178 1HE2 GLN 17 2HE2 GLN 17 23.418 -12.629 -2.012
179 2HE2 GLN 17 1HE2 GLN 17 22.822 -11.058 -2.250
180 NH1 ARG 18 NH1 ARG 18 28.518 -1.952 6.707
181 NH2 ARG 18 NH2 ARG 18 28.307 -0.859 4.695
182 H ARG 18 H ARG 18 25.043 -5.487 0.855
183 HA ARG 18 HA ARG 18 27.037 -4.607 1.619
184 1HB ARG 18 2HB ARG 18 26.169 -6.006 3.638
185 2HB ARG 18 1HB ARG 18 27.397 -7.176 3.206
186 1HG ARG 18 2HG ARG 18 28.552 -5.839 4.752
187 2HG ARG 18 1HG ARG 18 29.046 -5.110 3.244
188 1HD ARG 18 2HD ARG 18 27.103 -3.459 3.611
189 2HD ARG 18 1HD ARG 18 27.013 -4.063 5.242
190 HE ARG 18 HE ARG 18 29.360 -3.622 4.153
191 1HH1 ARG 18 1HH1 ARG 18 28.677 -2.802 7.144
192 2HH1 ARG 18 2HH1 ARG 18 28.291 -1.118 7.190
193 1HH2 ARG 18 1HH2 ARG 18 28.277 -0.866 3.664
194 2HH2 ARG 18 2HH2 ARG 18 28.069 0.023 5.129
195 1H NH2 19 1HN NH2 18 27.319 -5.813 -0.894
196 2H NH2 19 2HN NH2 18 28.850 -6.532 -1.019
Start of MODEL 15
Raw file had 196 H/Q atoms
Start of MODEL 15
1 1H2 SIN 1 1H2 SIN 1 10.804 11.505 -2.423
2 2H2 SIN 1 2H2 SIN 1 10.687 11.180 -0.704
3 1H3 SIN 1 1H3 SIN 1 10.319 13.495 -0.694
4 2H3 SIN 1 2H3 SIN 1 11.323 13.770 -2.102
5 H THR 2 H THR 2 13.304 12.640 -2.585
6 HA THR 2 HA THR 2 15.019 10.381 -2.697
7 HB THR 2 HB THR 2 15.899 13.330 -2.631
8 HG1 THR 2 HG1 THR 2 14.184 12.948 -4.054
9 1HG2 THR 2 1HG2 THR 2 16.919 10.859 -4.170
10 2HG2 THR 2 3HG2 THR 2 17.619 12.469 -4.240
11 3HG2 THR 2 2HG2 THR 2 17.743 11.520 -2.769
12 NH1 ARG 3 NH2 ARG 3 17.480 15.585 -2.257
13 NH2 ARG 3 NH1 ARG 3 18.882 13.820 -2.252
14 H ARG 3 H ARG 3 14.724 12.944 -0.313
15 HA ARG 3 HA ARG 3 16.931 12.072 1.346
16 1HB ARG 3 2HB ARG 3 14.617 14.005 1.666
17 2HB ARG 3 1HB ARG 3 15.419 13.460 3.119
18 1HG ARG 3 2HG ARG 3 16.528 15.465 2.469
19 2HG ARG 3 1HG ARG 3 17.631 14.166 2.076
20 1HD ARG 3 2HD ARG 3 15.720 14.993 -0.107
21 2HD ARG 3 1HD ARG 3 16.994 16.131 0.315
22 HE ARG 3 HE ARG 3 18.097 13.498 0.033
23 1HH1 ARG 3 1HH2 ARG 3 16.809 16.164 -1.795
24 2HH1 ARG 3 2HH2 ARG 3 17.749 15.787 -3.200
25 1HH2 ARG 3 2HH1 ARG 3 19.291 13.037 -1.785
26 2HH2 ARG 3 1HH1 ARG 3 19.141 14.031 -3.196
27 H GLN 4 H GLN 4 13.554 11.344 1.090
28 HA GLN 4 HA GLN 4 13.516 9.646 3.502
29 1HB GLN 4 2HB GLN 4 11.488 10.739 1.563
30 2HB GLN 4 1HB GLN 4 11.077 9.228 2.341
31 1HG GLN 4 2HG GLN 4 10.204 10.906 3.792
32 2HG GLN 4 1HG GLN 4 11.669 10.359 4.589
33 1HE2 GLN 4 2HE2 GLN 4 11.347 14.204 3.405
34 2HE2 GLN 4 1HE2 GLN 4 10.067 13.100 3.246
35 H ALA 5 H ALA 5 14.816 9.213 0.602
36 HA ALA 5 HA ALA 5 13.736 6.622 -0.168
37 1HB ALA 5 3HB ALA 5 14.865 8.306 -1.720
38 2HB ALA 5 2HB ALA 5 16.398 7.825 -1.007
39 3HB ALA 5 1HB ALA 5 15.429 6.652 -1.883
40 NH1 ARG 6 NH2 ARG 6 19.782 5.678 7.278
41 NH2 ARG 6 NH1 ARG 6 19.515 4.144 8.908
42 H ARG 6 H ARG 6 15.072 7.139 2.584
43 HA ARG 6 HA ARG 6 17.430 5.623 2.848
44 1HB ARG 6 2HB ARG 6 16.387 7.085 4.607
45 2HB ARG 6 1HB ARG 6 15.143 5.875 4.849
46 1HG ARG 6 2HG ARG 6 16.793 4.236 5.611
47 2HG ARG 6 1HG ARG 6 18.122 5.301 5.176
48 1HD ARG 6 2HD ARG 6 17.527 6.883 6.931
49 2HD ARG 6 1HD ARG 6 16.000 6.063 7.226
50 HE ARG 6 HE ARG 6 17.133 4.457 8.497
51 1HH1 ARG 6 1HH2 ARG 6 19.395 6.299 6.596
52 2HH1 ARG 6 2HH2 ARG 6 20.773 5.611 7.387
53 1HH2 ARG 6 2HH1 ARG 6 18.921 3.585 9.485
54 2HH2 ARG 6 1HH1 ARG 6 20.508 4.085 9.004
55 NH1 ARG 7 NH1 ARG 7 10.718 4.579 4.494
56 NH2 ARG 7 NH2 ARG 7 10.963 6.783 4.112
57 H ARG 7 H ARG 7 14.129 4.617 2.527
58 HA ARG 7 HA ARG 7 14.511 1.856 3.329
59 1HB ARG 7 2HB ARG 7 12.211 1.570 2.377
60 2HB ARG 7 1HB ARG 7 12.303 2.928 3.473
61 1HG ARG 7 2HG ARG 7 12.767 4.328 1.222
62 2HG ARG 7 1HG ARG 7 12.041 2.933 0.456
63 1HD ARG 7 2HD ARG 7 10.108 4.126 0.831
64 2HD ARG 7 1HD ARG 7 10.171 3.359 2.403
65 HE ARG 7 HE ARG 7 10.925 6.162 1.766
66 1HH1 ARG 7 2HH1 ARG 7 10.621 3.641 4.162
67 2HH1 ARG 7 1HH1 ARG 7 10.726 4.760 5.477
68 1HH2 ARG 7 1HH2 ARG 7 11.054 7.550 3.476
69 2HH2 ARG 7 2HH2 ARG 7 10.968 6.946 5.097
70 H ASN 8 H ASN 8 14.577 3.721 0.394
71 HA ASN 8 HA ASN 8 14.781 1.486 -1.400
72 1HB ASN 8 2HB ASN 8 14.104 3.941 -1.975
73 2HB ASN 8 1HB ASN 8 15.829 4.284 -1.996
74 1HD2 ASN 8 2HD2 ASN 8 14.159 2.081 -4.999
75 2HD2 ASN 8 1HD2 ASN 8 13.261 2.455 -3.607
76 NH1 ARG 9 NH2 ARG 9 18.659 3.610 -2.978
77 NH2 ARG 9 NH1 ARG 9 19.636 4.937 -4.510
78 H ARG 9 H ARG 9 16.984 3.402 0.450
79 HA ARG 9 HA ARG 9 19.419 2.428 -0.838
80 1HB ARG 9 2HB ARG 9 18.704 4.284 1.413
81 2HB ARG 9 1HB ARG 9 20.256 3.487 1.559
82 1HG ARG 9 2HG ARG 9 20.714 5.500 0.360
83 2HG ARG 9 1HG ARG 9 20.755 4.230 -0.842
84 1HD ARG 9 2HD ARG 9 18.070 4.981 -0.944
85 2HD ARG 9 1HD ARG 9 18.848 6.498 -0.543
86 HE ARG 9 HE ARG 9 19.881 6.507 -2.663
87 1HH1 ARG 9 1HH2 ARG 9 18.349 3.445 -2.044
88 2HH1 ARG 9 2HH2 ARG 9 18.524 2.911 -3.679
89 1HH2 ARG 9 2HH1 ARG 9 20.082 5.796 -4.759
90 2HH2 ARG 9 1HH1 ARG 9 19.491 4.229 -5.201
91 H ALA 10 H ALA 10 17.363 1.551 1.800
92 HA ALA 10 HA ALA 10 19.191 -0.330 3.066
93 1HB ALA 10 3HB ALA 10 17.210 0.668 4.263
94 2HB ALA 10 2HB ALA 10 16.134 -0.177 3.162
95 3HB ALA 10 1HB ALA 10 17.143 -1.087 4.275
96 NH1 ARG 11 NH2 ARG 11 17.428 -1.736 -4.703
97 NH2 ARG 11 NH1 ARG 11 17.969 0.426 -4.367
98 H ARG 11 H ARG 11 16.768 -0.293 0.621
99 HA ARG 11 HA ARG 11 16.632 -3.134 0.068
100 1HB ARG 11 2HB ARG 11 14.727 -1.768 -0.490
101 2HB ARG 11 1HB ARG 11 15.707 -0.581 -1.302
102 1HG ARG 11 2HG ARG 11 16.173 -2.932 -2.808
103 2HG ARG 11 1HG ARG 11 14.502 -3.078 -2.324
104 1HD ARG 11 2HD ARG 11 14.771 -1.880 -4.520
105 2HD ARG 11 1HD ARG 11 13.959 -0.900 -3.310
106 HE ARG 11 HE ARG 11 15.741 0.601 -3.408
107 1HH1 ARG 11 1HH2 ARG 11 16.775 -2.490 -4.633
108 2HH1 ARG 11 2HH2 ARG 11 18.328 -1.891 -5.109
109 1HH2 ARG 11 2HH1 ARG 11 17.733 1.339 -4.035
110 2HH2 ARG 11 1HH1 ARG 11 18.864 0.258 -4.778
111 NH1 ARG 12 NH2 ARG 12 22.455 4.447 -4.589
112 NH2 ARG 12 NH1 ARG 12 22.708 4.751 -2.373
113 H ARG 12 H ARG 12 18.441 -0.365 -1.025
114 HA ARG 12 HA ARG 12 19.738 -1.577 -3.291
115 1HB ARG 12 2HB ARG 12 19.577 0.971 -2.618
116 2HB ARG 12 1HB ARG 12 20.953 0.642 -1.593
117 1HG ARG 12 2HG ARG 12 22.381 0.170 -3.404
118 2HG ARG 12 1HG ARG 12 21.060 -0.207 -4.493
119 1HD ARG 12 2HD ARG 12 22.068 1.980 -5.055
120 2HD ARG 12 1HD ARG 12 20.396 2.195 -4.539
121 HE ARG 12 HE ARG 12 21.760 2.511 -2.188
122 1HH1 ARG 12 1HH2 ARG 12 22.169 3.883 -5.364
123 2HH1 ARG 12 2HH2 ARG 12 22.836 5.358 -4.748
124 1HH2 ARG 12 2HH1 ARG 12 22.619 4.418 -1.434
125 2HH2 ARG 12 1HH1 ARG 12 23.085 5.660 -2.549
126 CH2 TRP 13 CH2 TRP 13 23.311 -6.369 4.840
127 H TRP 13 H TRP 13 20.461 -1.256 0.110
128 HA TRP 13 HA TRP 13 23.089 -2.421 0.055
129 1HB TRP 13 2HB TRP 13 22.219 -1.031 1.969
130 2HB TRP 13 1HB TRP 13 21.079 -2.310 2.366
131 HD1 TRP 13 HD1 TRP 13 24.840 -1.443 2.540
132 HE1 TRP 13 HE1 TRP 13 25.914 -3.212 3.934
133 HE3 TRP 13 HE3 TRP 13 20.984 -4.671 3.055
134 HZ2 TRP 13 HZ2 TRP 13 25.329 -5.717 5.172
135 HZ3 TRP 13 HZ3 TRP 13 21.258 -6.756 4.347
136 HH2 TRP 13 HH2 TRP 13 23.429 -7.282 5.406
137 NH1 ARG 14 NH2 ARG 14 15.920 -5.487 -2.082
138 NH2 ARG 14 NH1 ARG 14 17.521 -5.842 -3.615
139 H ARG 14 H ARG 14 19.836 -3.641 0.489
140 HA ARG 14 HA ARG 14 20.545 -6.358 1.119
141 1HB ARG 14 2HB ARG 14 18.305 -5.333 1.571
142 2HB ARG 14 1HB ARG 14 17.995 -5.238 -0.143
143 1HG ARG 14 2HG ARG 14 18.806 -7.977 0.569
144 2HG ARG 14 1HG ARG 14 17.530 -7.449 1.637
145 1HD ARG 14 2HD ARG 14 16.729 -8.594 -0.475
146 2HD ARG 14 1HD ARG 14 16.034 -7.007 -0.210
147 HE ARG 14 HE ARG 14 18.300 -7.573 -2.102
148 1HH1 ARG 14 1HH2 ARG 14 15.478 -5.691 -1.210
149 2HH1 ARG 14 2HH2 ARG 14 15.551 -4.766 -2.667
150 1HH2 ARG 14 2HH1 ARG 14 18.327 -6.338 -3.934
151 2HH2 ARG 14 1HH1 ARG 14 17.131 -5.110 -4.172
152 H ALA 15 H ALA 15 20.189 -4.521 -1.793
153 HA ALA 15 HA ALA 15 20.150 -6.748 -3.655
154 1HB ALA 15 3HB ALA 15 19.462 -4.197 -4.007
155 2HB ALA 15 2HB ALA 15 21.162 -3.983 -4.387
156 3HB ALA 15 1HB ALA 15 20.183 -5.084 -5.340
157 NH1 ARG 16 NH2 ARG 16 29.048 -2.409 -2.684
158 NH2 ARG 16 NH1 ARG 16 28.705 -1.542 -0.634
159 H ARG 16 H ARG 16 22.537 -4.603 -2.284
160 HA ARG 16 HA ARG 16 24.833 -5.571 -3.724
161 1HB ARG 16 2HB ARG 16 24.542 -4.099 -1.070
162 2HB ARG 16 1HB ARG 16 26.093 -4.457 -1.789
163 1HG ARG 16 2HG ARG 16 24.376 -3.211 -3.803
164 2HG ARG 16 1HG ARG 16 24.349 -2.241 -2.347
165 1HD ARG 16 2HD ARG 16 26.909 -3.207 -3.672
166 2HD ARG 16 1HD ARG 16 26.219 -1.602 -3.911
167 HE ARG 16 HE ARG 16 26.353 -1.617 -1.237
168 1HH1 ARG 16 1HH2 ARG 16 28.700 -2.743 -3.560
169 2HH1 ARG 16 2HH2 ARG 16 30.032 -2.411 -2.508
170 1HH2 ARG 16 2HH1 ARG 16 28.085 -1.204 0.075
171 2HH2 ARG 16 1HH1 ARG 16 29.691 -1.548 -0.474
172 H GLN 17 H GLN 17 23.175 -6.481 -0.835
173 HA GLN 17 HA GLN 17 25.163 -8.334 0.174
174 1HB GLN 17 2HB GLN 17 23.255 -7.106 1.465
175 2HB GLN 17 1HB GLN 17 22.181 -8.331 0.830
176 1HG GLN 17 2HG GLN 17 24.733 -9.072 2.328
177 2HG GLN 17 1HG GLN 17 23.238 -8.731 3.181
178 1HE2 GLN 17 2HE2 GLN 17 23.745 -12.364 1.649
179 2HE2 GLN 17 1HE2 GLN 17 24.999 -11.243 1.872
180 NH1 ARG 18 NH2 ARG 18 20.951 -15.141 1.518
181 NH2 ARG 18 NH1 ARG 18 22.082 -13.643 2.769
182 H ARG 18 H ARG 18 22.303 -8.475 -1.807
183 HA ARG 18 HA ARG 18 23.103 -10.894 -3.151
184 1HB ARG 18 2HB ARG 18 21.471 -11.165 -0.748
185 2HB ARG 18 1HB ARG 18 20.489 -11.623 -2.121
186 1HG ARG 18 2HG ARG 18 22.135 -13.268 -2.849
187 2HG ARG 18 1HG ARG 18 23.289 -12.732 -1.644
188 1HD ARG 18 2HD ARG 18 20.550 -13.837 -0.896
189 2HD ARG 18 1HD ARG 18 22.000 -14.835 -1.013
190 HE ARG 18 HE ARG 18 22.600 -12.598 0.629
191 1HH1 ARG 18 1HH2 ARG 18 20.644 -15.474 0.627
192 2HH1 ARG 18 2HH2 ARG 18 20.693 -15.630 2.350
193 1HH2 ARG 18 1HH1 ARG 18 22.647 -12.821 2.840
194 2HH2 ARG 18 2HH1 ARG 18 21.817 -14.142 3.595
195 1H NH2 19 1HN NH2 18 22.389 -10.544 -5.222
196 2H NH2 19 2HN NH2 18 21.000 -9.668 -5.652
Start of MODEL 16
Raw file had 196 H/Q atoms
Start of MODEL 16
1 1H2 SIN 1 1H2 SIN 1 10.097 7.668 -1.449
2 2H2 SIN 1 2H2 SIN 1 9.990 9.073 -2.497
3 1H3 SIN 1 1H3 SIN 1 12.272 7.180 -3.043
4 2H3 SIN 1 2H3 SIN 1 11.317 8.123 -4.167
5 H THR 2 H THR 2 11.222 10.766 -1.986
6 HA THR 2 HA THR 2 13.878 10.633 -0.922
7 HB THR 2 HB THR 2 11.891 12.998 -0.877
8 HG1 THR 2 HG1 THR 2 12.342 11.962 -2.902
9 1HG2 THR 2 2HG2 THR 2 14.969 12.847 -0.828
10 2HG2 THR 2 1HG2 THR 2 14.048 14.329 -1.033
11 3HG2 THR 2 3HG2 THR 2 13.976 13.456 0.486
12 NH1 ARG 3 NH1 ARG 3 5.022 11.276 4.421
13 NH2 ARG 3 NH2 ARG 3 5.219 9.118 3.794
14 H ARG 3 H ARG 3 10.743 11.078 0.574
15 HA ARG 3 HA ARG 3 11.700 11.584 3.243
16 1HB ARG 3 2HB ARG 3 9.339 11.997 2.270
17 2HB ARG 3 1HB ARG 3 9.048 10.284 2.492
18 1HG ARG 3 2HG ARG 3 9.604 10.555 4.947
19 2HG ARG 3 1HG ARG 3 9.817 12.275 4.682
20 1HD ARG 3 2HD ARG 3 7.546 11.848 5.540
21 2HD ARG 3 1HD ARG 3 7.428 12.403 3.869
22 HE ARG 3 HE ARG 3 7.614 9.547 3.915
23 1HH1 ARG 3 2HH1 ARG 3 5.439 12.148 4.674
24 2HH1 ARG 3 1HH1 ARG 3 4.026 11.186 4.397
25 1HH2 ARG 3 1HH2 ARG 3 5.790 8.330 3.563
26 2HH2 ARG 3 2HH2 ARG 3 4.223 9.038 3.773
27 H GLN 4 H GLN 4 11.076 8.774 1.346
28 HA GLN 4 HA GLN 4 11.794 6.931 3.585
29 1HB GLN 4 2HB GLN 4 10.079 6.703 1.104
30 2HB GLN 4 1HB GLN 4 10.867 5.246 1.666
31 1HG GLN 4 2HG GLN 4 8.678 5.343 2.710
32 2HG GLN 4 1HG GLN 4 9.887 5.626 3.953
33 1HE2 GLN 4 2HE2 GLN 4 8.688 8.832 4.736
34 2HE2 GLN 4 1HE2 GLN 4 9.765 7.572 5.099
35 H ALA 5 H ALA 5 13.605 8.619 1.956
36 HA ALA 5 HA ALA 5 15.025 7.201 -0.014
37 1HB ALA 5 1HB ALA 5 15.910 9.285 2.005
38 2HB ALA 5 3HB ALA 5 16.995 8.669 0.767
39 3HB ALA 5 2HB ALA 5 15.532 9.515 0.304
40 NH1 ARG 6 NH2 ARG 6 20.277 5.812 7.029
41 NH2 ARG 6 NH1 ARG 6 20.049 8.053 7.102
42 H ARG 6 H ARG 6 15.178 6.913 3.461
43 HA ARG 6 HA ARG 6 17.603 5.340 3.525
44 1HB ARG 6 2HB ARG 6 16.503 6.669 5.470
45 2HB ARG 6 1HB ARG 6 15.377 5.334 5.624
46 1HG ARG 6 2HG ARG 6 17.102 3.788 6.216
47 2HG ARG 6 1HG ARG 6 18.371 4.846 5.630
48 1HD ARG 6 2HD ARG 6 16.586 5.568 7.990
49 2HD ARG 6 1HD ARG 6 18.146 4.779 8.175
50 HE ARG 6 HE ARG 6 17.703 7.572 7.541
51 1HH1 ARG 6 1HH2 ARG 6 19.882 4.896 7.092
52 2HH1 ARG 6 2HH2 ARG 6 21.253 5.925 6.846
53 1HH2 ARG 6 2HH1 ARG 6 19.478 8.866 7.222
54 2HH2 ARG 6 1HH1 ARG 6 21.026 8.153 6.917
55 NH1 ARG 7 NH1 ARG 7 9.776 1.352 5.300
56 NH2 ARG 7 NH2 ARG 7 9.073 3.492 5.398
57 H ARG 7 H ARG 7 14.292 4.683 2.999
58 HA ARG 7 HA ARG 7 14.429 1.800 3.419
59 1HB ARG 7 2HB ARG 7 12.339 3.451 3.463
60 2HB ARG 7 1HB ARG 7 12.325 3.195 1.729
61 1HG ARG 7 2HG ARG 7 12.315 0.672 2.221
62 2HG ARG 7 1HG ARG 7 12.040 1.086 3.903
63 1HD ARG 7 2HD ARG 7 10.245 1.841 1.547
64 2HD ARG 7 1HD ARG 7 9.866 0.660 2.791
65 HE ARG 7 HE ARG 7 9.656 3.552 3.034
66 1HH1 ARG 7 2HH1 ARG 7 10.152 0.583 4.785
67 2HH1 ARG 7 1HH1 ARG 7 9.561 1.246 6.271
68 1HH2 ARG 7 1HH2 ARG 7 8.904 4.372 4.956
69 2HH2 ARG 7 2HH2 ARG 7 8.866 3.372 6.369
70 H ASN 8 H ASN 8 14.545 4.094 0.801
71 HA ASN 8 HA ASN 8 14.654 2.292 -1.390
72 1HB ASN 8 2HB ASN 8 15.593 5.158 -1.012
73 2HB ASN 8 1HB ASN 8 15.787 4.339 -2.549
74 1HD2 ASN 8 2HD2 ASN 8 12.176 5.783 -1.489
75 2HD2 ASN 8 1HD2 ASN 8 13.557 6.013 -0.534
76 NH1 ARG 9 NH1 ARG 9 21.654 2.463 5.285
77 NH2 ARG 9 NH2 ARG 9 19.787 2.702 6.521
78 H ARG 9 H ARG 9 17.301 3.983 0.248
79 HA ARG 9 HA ARG 9 19.394 2.693 -1.217
80 1HB ARG 9 2HB ARG 9 20.903 3.573 0.511
81 2HB ARG 9 1HB ARG 9 19.725 4.780 0.057
82 1HG ARG 9 2HG ARG 9 19.412 5.020 2.295
83 2HG ARG 9 1HG ARG 9 18.389 3.611 2.130
84 1HD ARG 9 2HD ARG 9 20.523 2.198 2.597
85 2HD ARG 9 1HD ARG 9 21.285 3.721 3.044
86 HE ARG 9 HE ARG 9 18.748 3.335 4.399
87 1HH1 ARG 9 2HH1 ARG 9 22.125 2.502 4.403
88 2HH1 ARG 9 1HH1 ARG 9 22.156 2.194 6.107
89 1HH2 ARG 9 1HH2 ARG 9 18.816 2.926 6.594
90 2HH2 ARG 9 2HH2 ARG 9 20.301 2.434 7.335
91 H ALA 10 H ALA 10 17.558 1.753 1.571
92 HA ALA 10 HA ALA 10 19.285 -0.375 2.485
93 1HB ALA 10 1HB ALA 10 16.324 0.200 2.910
94 2HB ALA 10 3HB ALA 10 17.158 -1.133 3.690
95 3HB ALA 10 2HB ALA 10 17.643 0.521 4.026
96 NH1 ARG 11 NH1 ARG 11 12.082 1.764 -1.601
97 NH2 ARG 11 NH2 ARG 11 12.573 1.494 -3.782
98 H ARG 11 H ARG 11 16.708 -0.100 0.148
99 HA ARG 11 HA ARG 11 16.372 -2.942 -0.296
100 1HB ARG 11 2HB ARG 11 15.472 -0.390 -1.632
101 2HB ARG 11 1HB ARG 11 15.419 -1.843 -2.610
102 1HG ARG 11 2HG ARG 11 13.706 -2.788 -1.405
103 2HG ARG 11 1HG ARG 11 14.268 -2.151 0.127
104 1HD ARG 11 2HD ARG 11 12.049 -1.186 -0.771
105 2HD ARG 11 1HD ARG 11 13.254 -0.017 -0.251
106 HE ARG 11 HE ARG 11 13.368 -0.704 -3.103
107 1HH1 ARG 11 2HH1 ARG 11 12.061 1.419 -0.664
108 2HH1 ARG 11 1HH1 ARG 11 11.738 2.681 -1.801
109 1HH2 ARG 11 1HH2 ARG 11 12.936 0.938 -4.530
110 2HH2 ARG 11 2HH2 ARG 11 12.222 2.412 -3.966
111 NH1 ARG 12 NH2 ARG 12 15.432 0.316 -4.231
112 NH2 ARG 12 NH1 ARG 12 15.307 2.559 -4.398
113 H ARG 12 H ARG 12 18.664 -0.618 -1.327
114 HA ARG 12 HA ARG 12 19.616 -2.294 -3.591
115 1HB ARG 12 2HB ARG 12 21.262 0.024 -2.604
116 2HB ARG 12 1HB ARG 12 20.933 -0.471 -4.247
117 1HG ARG 12 2HG ARG 12 19.059 1.015 -2.395
118 2HG ARG 12 1HG ARG 12 19.896 1.698 -3.766
119 1HD ARG 12 2HD ARG 12 18.612 0.188 -5.301
120 2HD ARG 12 1HD ARG 12 17.731 -0.446 -3.913
121 HE ARG 12 HE ARG 12 17.720 2.486 -4.456
122 1HH1 ARG 12 1HH2 ARG 12 15.963 -0.529 -4.183
123 2HH1 ARG 12 2HH2 ARG 12 14.434 0.274 -4.199
124 1HH2 ARG 12 2HH1 ARG 12 15.753 3.450 -4.477
125 2HH2 ARG 12 1HH1 ARG 12 14.310 2.502 -4.369
126 CH2 TRP 13 CH2 TRP 13 22.862 -5.830 5.232
127 H TRP 13 H TRP 13 20.270 -1.436 -0.304
128 HA TRP 13 HA TRP 13 22.898 -2.521 -0.049
129 1HB TRP 13 2HB TRP 13 21.886 -0.947 1.619
130 2HB TRP 13 1HB TRP 13 20.751 -2.200 2.104
131 HD1 TRP 13 HD1 TRP 13 24.497 -1.240 2.373
132 HE1 TRP 13 HE1 TRP 13 25.497 -2.789 4.052
133 HE3 TRP 13 HE3 TRP 13 20.634 -4.416 3.106
134 HZ2 TRP 13 HZ2 TRP 13 24.856 -5.115 5.583
135 HZ3 TRP 13 HZ3 TRP 13 20.843 -6.304 4.681
136 HH2 TRP 13 HH2 TRP 13 22.952 -6.656 5.920
137 NH1 ARG 14 NH1 ARG 14 15.258 -5.052 -2.093
138 NH2 ARG 14 NH2 ARG 14 16.178 -5.382 -4.124
139 H ARG 14 H ARG 14 19.690 -3.890 0.476
140 HA ARG 14 HA ARG 14 20.677 -6.452 1.403
141 1HB ARG 14 2HB ARG 14 18.334 -7.160 1.280
142 2HB ARG 14 1HB ARG 14 18.388 -5.533 1.911
143 1HG ARG 14 2HG ARG 14 16.828 -5.055 0.326
144 2HG ARG 14 1HG ARG 14 18.192 -4.988 -0.768
145 1HD ARG 14 2HD ARG 14 17.643 -7.715 -0.766
146 2HD ARG 14 1HD ARG 14 16.038 -7.036 -0.562
147 HE ARG 14 HE ARG 14 17.674 -6.902 -2.948
148 1HH1 ARG 14 2HH1 ARG 14 15.226 -5.241 -1.112
149 2HH1 ARG 14 1HH1 ARG 14 14.607 -4.412 -2.499
150 1HH2 ARG 14 1HH2 ARG 14 16.858 -5.826 -4.708
151 2HH2 ARG 14 2HH2 ARG 14 15.521 -4.740 -4.519
152 H ALA 15 H ALA 15 20.584 -5.004 -1.585
153 HA ALA 15 HA ALA 15 20.622 -7.564 -3.116
154 1HB ALA 15 1HB ALA 15 19.059 -5.714 -3.862
155 2HB ALA 15 3HB ALA 15 20.461 -4.695 -4.139
156 3HB ALA 15 2HB ALA 15 20.238 -6.156 -5.087
157 NH1 ARG 16 NH1 ARG 16 29.018 -1.923 -1.957
158 NH2 ARG 16 NH2 ARG 16 30.409 -3.634 -1.486
159 H ARG 16 H ARG 16 22.527 -5.136 -1.779
160 HA ARG 16 HA ARG 16 24.858 -5.587 -3.559
161 1HB ARG 16 2HB ARG 16 24.191 -3.269 -3.132
162 2HB ARG 16 1HB ARG 16 24.295 -3.512 -1.406
163 1HG ARG 16 2HG ARG 16 26.773 -4.114 -3.017
164 2HG ARG 16 1HG ARG 16 26.304 -2.435 -2.893
165 1HD ARG 16 2HD ARG 16 26.822 -2.292 -0.644
166 2HD ARG 16 1HD ARG 16 26.242 -3.910 -0.291
167 HE ARG 16 HE ARG 16 28.392 -4.742 -0.674
168 1HH1 ARG 16 2HH1 ARG 16 28.101 -1.526 -1.963
169 2HH1 ARG 16 1HH1 ARG 16 29.793 -1.398 -2.308
170 1HH2 ARG 16 1HH2 ARG 16 30.564 -4.554 -1.130
171 2HH2 ARG 16 2HH2 ARG 16 31.175 -3.098 -1.842
172 H GLN 17 H GLN 17 23.692 -6.481 -0.438
173 HA GLN 17 HA GLN 17 26.032 -6.784 1.072
174 1HB GLN 17 2HB GLN 17 24.725 -8.991 1.943
175 2HB GLN 17 1HB GLN 17 24.227 -7.375 2.369
176 1HG GLN 17 2HG GLN 17 22.301 -8.770 1.681
177 2HG GLN 17 1HG GLN 17 22.498 -7.386 0.631
178 1HE2 GLN 17 2HE2 GLN 17 23.024 -9.321 -2.260
179 2HE2 GLN 17 1HE2 GLN 17 22.911 -7.770 -1.579
180 NH1 ARG 18 NH1 ARG 18 29.230 -10.809 1.581
181 NH2 ARG 18 NH2 ARG 18 28.264 -11.177 3.578
182 H ARG 18 H ARG 18 25.046 -8.629 -1.656
183 HA ARG 18 HA ARG 18 27.568 -10.183 -1.591
184 1HB ARG 18 2HB ARG 18 24.794 -11.402 -2.040
185 2HB ARG 18 1HB ARG 18 26.297 -12.266 -2.264
186 1HG ARG 18 2HG ARG 18 25.469 -11.044 0.407
187 2HG ARG 18 1HG ARG 18 25.123 -12.693 -0.049
188 1HD ARG 18 2HD ARG 18 27.348 -13.367 0.095
189 2HD ARG 18 1HD ARG 18 27.987 -11.770 -0.257
190 HE ARG 18 HE ARG 18 26.618 -12.429 2.328
191 1HH1 ARG 18 1HH1 ARG 18 29.262 -10.921 0.589
192 2HH1 ARG 18 2HH1 ARG 18 29.941 -10.280 2.042
193 1HH2 ARG 18 1HH2 ARG 18 27.536 -11.582 4.131
194 2HH2 ARG 18 2HH2 ARG 18 28.987 -10.643 4.015
195 1H NH2 19 1HN NH2 18 28.211 -10.870 -3.763
196 2H NH2 19 2HN NH2 18 27.541 -10.122 -5.132
Start of MODEL 17
Raw file had 196 H/Q atoms
Start of MODEL 17
1 1H2 SIN 1 1H2 SIN 1 13.455 12.884 0.568
2 2H2 SIN 1 2H2 SIN 1 14.349 13.626 1.886
3 1H3 SIN 1 1H3 SIN 1 15.620 13.939 -0.210
4 2H3 SIN 1 2H3 SIN 1 15.554 12.219 -0.547
5 H THR 2 H THR 2 15.645 12.278 3.192
6 HA THR 2 HA THR 2 16.015 9.566 3.298
7 HB THR 2 HB THR 2 15.923 9.909 5.902
8 HG1 THR 2 HG1 THR 2 14.332 11.608 5.538
9 1HG2 THR 2 1HG2 THR 2 17.455 11.947 4.168
10 2HG2 THR 2 3HG2 THR 2 17.831 11.567 5.841
11 3HG2 THR 2 2HG2 THR 2 18.056 10.352 4.594
12 NH1 ARG 3 NH2 ARG 3 8.606 12.815 7.589
13 NH2 ARG 3 NH1 ARG 3 6.732 11.866 6.773
14 H ARG 3 H ARG 3 13.124 11.236 4.231
15 HA ARG 3 HA ARG 3 11.578 9.488 5.630
16 1HB ARG 3 2HB ARG 3 10.730 11.183 3.261
17 2HB ARG 3 1HB ARG 3 9.597 10.430 4.371
18 1HG ARG 3 2HG ARG 3 10.728 11.648 6.280
19 2HG ARG 3 1HG ARG 3 11.755 12.459 5.113
20 1HD ARG 3 2HD ARG 3 9.864 13.937 5.659
21 2HD ARG 3 1HD ARG 3 9.698 13.395 3.997
22 HE ARG 3 HE ARG 3 7.798 12.152 4.606
23 1HH1 ARG 3 1HH2 ARG 3 9.509 13.220 7.447
24 2HH1 ARG 3 2HH2 ARG 3 8.235 12.735 8.514
25 1HH2 ARG 3 2HH1 ARG 3 6.190 11.540 5.999
26 2HH2 ARG 3 1HH1 ARG 3 6.373 11.789 7.704
27 H GLN 4 H GLN 4 12.326 9.180 2.253
28 HA GLN 4 HA GLN 4 11.078 6.465 2.160
29 1HB GLN 4 2HB GLN 4 10.587 6.987 -0.290
30 2HB GLN 4 1HB GLN 4 9.629 7.891 0.865
31 1HG GLN 4 2HG GLN 4 11.103 9.870 0.606
32 2HG GLN 4 1HG GLN 4 12.159 8.972 -0.476
33 1HE2 GLN 4 2HE2 GLN 4 10.070 9.364 -3.289
34 2HE2 GLN 4 1HE2 GLN 4 11.457 8.621 -2.651
35 H ALA 5 H ALA 5 13.630 8.590 1.199
36 HA ALA 5 HA ALA 5 15.052 6.898 -0.594
37 1HB ALA 5 3HB ALA 5 15.425 9.363 -0.314
38 2HB ALA 5 2HB ALA 5 16.198 9.046 1.230
39 3HB ALA 5 1HB ALA 5 16.919 8.444 -0.252
40 NH1 ARG 6 NH2 ARG 6 13.739 5.488 7.221
41 NH2 ARG 6 NH1 ARG 6 12.288 7.167 6.856
42 H ARG 6 H ARG 6 14.789 6.816 2.820
43 HA ARG 6 HA ARG 6 17.263 5.420 3.400
44 1HB ARG 6 2HB ARG 6 14.662 5.821 4.871
45 2HB ARG 6 1HB ARG 6 15.901 4.783 5.546
46 1HG ARG 6 2HG ARG 6 17.527 6.643 5.523
47 2HG ARG 6 1HG ARG 6 16.339 7.709 4.804
48 1HD ARG 6 2HD ARG 6 16.046 6.359 7.541
49 2HD ARG 6 1HD ARG 6 16.499 8.031 7.279
50 HE ARG 6 HE ARG 6 14.280 8.538 6.580
51 1HH1 ARG 6 1HH2 ARG 6 14.674 5.143 7.298
52 2HH1 ARG 6 2HH2 ARG 6 12.967 4.866 7.349
53 1HH2 ARG 6 2HH1 ARG 6 12.106 8.128 6.655
54 2HH2 ARG 6 1HH1 ARG 6 11.531 6.527 6.981
55 NH1 ARG 7 NH2 ARG 7 13.140 -0.737 2.701
56 NH2 ARG 7 NH1 ARG 7 14.215 -1.180 4.629
57 H ARG 7 H ARG 7 13.967 4.479 2.681
58 HA ARG 7 HA ARG 7 14.333 1.652 3.145
59 1HB ARG 7 2HB ARG 7 12.234 3.338 1.732
60 2HB ARG 7 1HB ARG 7 12.155 1.596 1.646
61 1HG ARG 7 2HG ARG 7 12.525 2.772 4.394
62 2HG ARG 7 1HG ARG 7 10.987 3.079 3.622
63 1HD ARG 7 2HD ARG 7 10.539 1.071 4.718
64 2HD ARG 7 1HD ARG 7 10.991 0.452 3.144
65 HE ARG 7 HE ARG 7 12.606 0.339 5.625
66 1HH1 ARG 7 1HH2 ARG 7 12.421 -0.266 2.192
67 2HH1 ARG 7 2HH2 ARG 7 13.767 -1.353 2.224
68 1HH2 ARG 7 2HH1 ARG 7 14.323 -1.050 5.615
69 2HH2 ARG 7 1HH1 ARG 7 14.835 -1.790 4.134
70 H ASN 8 H ASN 8 14.631 3.854 0.491
71 HA ASN 8 HA ASN 8 14.933 1.908 -1.577
72 1HB ASN 8 2HB ASN 8 14.428 4.144 -2.314
73 2HB ASN 8 1HB ASN 8 15.672 4.849 -1.298
74 1HD2 ASN 8 2HD2 ASN 8 17.024 2.903 -4.667
75 2HD2 ASN 8 1HD2 ASN 8 15.766 2.207 -3.763
76 NH1 ARG 9 NH1 ARG 9 22.833 4.941 -2.847
77 NH2 ARG 9 NH2 ARG 9 24.503 5.948 -1.716
78 H ARG 9 H ARG 9 17.192 3.775 0.349
79 HA ARG 9 HA ARG 9 19.594 2.644 -0.681
80 1HB ARG 9 2HB ARG 9 19.177 4.791 0.828
81 2HB ARG 9 1HB ARG 9 19.377 3.678 2.165
82 1HG ARG 9 2HG ARG 9 21.529 4.760 1.583
83 2HG ARG 9 1HG ARG 9 21.625 3.034 1.297
84 1HD ARG 9 2HD ARG 9 21.675 3.280 -1.032
85 2HD ARG 9 1HD ARG 9 20.773 4.795 -1.013
86 HE ARG 9 HE ARG 9 23.260 5.251 0.272
87 1HH1 ARG 9 2HH1 ARG 9 21.972 4.433 -2.857
88 2HH1 ARG 9 1HH1 ARG 9 23.276 5.186 -3.709
89 1HH2 ARG 9 1HH2 ARG 9 24.930 6.217 -0.852
90 2HH2 ARG 9 2HH2 ARG 9 24.937 6.187 -2.584
91 H ALA 10 H ALA 10 17.334 1.530 1.671
92 HA ALA 10 HA ALA 10 19.130 -0.440 2.846
93 1HB ALA 10 3HB ALA 10 16.075 -0.198 2.923
94 2HB ALA 10 2HB ALA 10 17.009 -1.290 3.934
95 3HB ALA 10 1HB ALA 10 17.166 0.445 4.140
96 NH1 ARG 11 NH1 ARG 11 11.461 -3.331 -1.181
97 NH2 ARG 11 NH2 ARG 11 11.434 -3.180 -3.430
98 H ARG 11 H ARG 11 16.579 -0.411 0.473
99 HA ARG 11 HA ARG 11 16.681 -3.233 -0.111
100 1HB ARG 11 2HB ARG 11 15.663 -0.825 -1.683
101 2HB ARG 11 1HB ARG 11 15.460 -2.475 -2.244
102 1HG ARG 11 2HG ARG 11 14.024 -3.064 -0.459
103 2HG ARG 11 1HG ARG 11 14.569 -1.750 0.558
104 1HD ARG 11 2HD ARG 11 12.372 -1.113 -0.234
105 2HD ARG 11 1HD ARG 11 13.513 -0.131 -1.137
106 HE ARG 11 HE ARG 11 12.925 -1.284 -3.092
107 1HH1 ARG 11 2HH1 ARG 11 11.775 -3.002 -0.291
108 2HH1 ARG 11 1HH1 ARG 11 10.847 -4.118 -1.233
109 1HH2 ARG 11 1HH2 ARG 11 11.729 -2.730 -4.273
110 2HH2 ARG 11 2HH2 ARG 11 10.820 -3.968 -3.469
111 NH1 ARG 12 NH2 ARG 12 21.633 3.454 -5.136
112 NH2 ARG 12 NH1 ARG 12 20.093 4.249 -6.576
113 H ARG 12 H ARG 12 18.506 -0.466 -0.985
114 HA ARG 12 HA ARG 12 19.784 -1.539 -3.349
115 1HB ARG 12 2HB ARG 12 20.254 0.834 -1.537
116 2HB ARG 12 1HB ARG 12 21.495 0.397 -2.689
117 1HG ARG 12 2HG ARG 12 20.135 0.828 -4.560
118 2HG ARG 12 1HG ARG 12 18.640 0.686 -3.653
119 1HD ARG 12 2HD ARG 12 18.861 2.835 -2.696
120 2HD ARG 12 1HD ARG 12 20.591 2.906 -2.959
121 HE ARG 12 HE ARG 12 18.476 3.429 -4.954
122 1HH1 ARG 12 1HH2 ARG 12 21.872 2.994 -4.282
123 2HH1 ARG 12 2HH2 ARG 12 22.356 3.766 -5.753
124 1HH2 ARG 12 2HH1 ARG 12 19.137 4.403 -6.830
125 2HH2 ARG 12 1HH1 ARG 12 20.826 4.554 -7.182
126 CH2 TRP 13 CH2 TRP 13 19.694 -4.373 5.247
127 H TRP 13 H TRP 13 20.869 -1.042 0.001
128 HA TRP 13 HA TRP 13 23.327 -2.507 -0.444
129 1HB TRP 13 2HB TRP 13 23.721 -2.353 1.953
130 2HB TRP 13 1HB TRP 13 23.099 -0.838 1.369
131 HD1 TRP 13 HD1 TRP 13 21.783 0.377 3.041
132 HE1 TRP 13 HE1 TRP 13 20.257 -0.268 4.892
133 HE3 TRP 13 HE3 TRP 13 21.788 -4.706 2.623
134 HZ2 TRP 13 HZ2 TRP 13 19.110 -2.505 6.126
135 HZ3 TRP 13 HZ3 TRP 13 20.452 -6.061 4.164
136 HH2 TRP 13 HH2 TRP 13 19.107 -4.970 5.929
137 NH1 ARG 14 NH2 ARG 14 16.166 -5.211 -1.697
138 NH2 ARG 14 NH1 ARG 14 17.271 -6.405 -3.251
139 H ARG 14 H ARG 14 20.107 -3.425 0.272
140 HA ARG 14 HA ARG 14 20.689 -6.080 1.319
141 1HB ARG 14 2HB ARG 14 18.535 -4.840 1.726
142 2HB ARG 14 1HB ARG 14 18.151 -4.980 0.027
143 1HG ARG 14 2HG ARG 14 18.790 -7.640 0.956
144 2HG ARG 14 1HG ARG 14 17.798 -6.910 2.197
145 1HD ARG 14 2HD ARG 14 16.369 -8.051 0.577
146 2HD ARG 14 1HD ARG 14 16.082 -6.325 0.459
147 HE ARG 14 HE ARG 14 17.751 -7.937 -1.443
148 1HH1 ARG 14 1HH2 ARG 14 15.853 -5.073 -0.760
149 2HH1 ARG 14 2HH2 ARG 14 15.932 -4.540 -2.401
150 1HH2 ARG 14 2HH1 ARG 14 17.816 -7.201 -3.512
151 2HH2 ARG 14 1HH1 ARG 14 17.027 -5.720 -3.937
152 H ALA 15 H ALA 15 20.004 -4.612 -1.779
153 HA ALA 15 HA ALA 15 19.907 -7.064 -3.313
154 1HB ALA 15 2HB ALA 15 18.964 -4.820 -4.085
155 2HB ALA 15 1HB ALA 15 20.612 -4.261 -4.299
156 3HB ALA 15 3HB ALA 15 20.002 -5.592 -5.269
157 NH1 ARG 16 NH2 ARG 16 27.467 -3.275 -6.672
158 NH2 ARG 16 NH1 ARG 16 27.181 -5.512 -6.748
159 H ARG 16 H ARG 16 22.345 -4.834 -2.281
160 HA ARG 16 HA ARG 16 24.505 -6.044 -3.851
161 1HB ARG 16 2HB ARG 16 24.564 -3.936 -1.649
162 2HB ARG 16 1HB ARG 16 25.934 -4.373 -2.642
163 1HG ARG 16 2HG ARG 16 23.501 -3.637 -4.218
164 2HG ARG 16 1HG ARG 16 24.118 -2.343 -3.215
165 1HD ARG 16 2HD ARG 16 25.131 -2.341 -5.508
166 2HD ARG 16 1HD ARG 16 26.347 -2.538 -4.247
167 HE ARG 16 HE ARG 16 25.483 -5.123 -5.055
168 1HH1 ARG 16 1HH2 ARG 16 27.226 -2.380 -6.298
169 2HH1 ARG 16 2HH2 ARG 16 28.180 -3.351 -7.369
170 1HH2 ARG 16 2HH1 ARG 16 26.714 -6.337 -6.430
171 2HH2 ARG 16 1HH1 ARG 16 27.895 -5.576 -7.444
172 H GLN 17 H GLN 17 23.002 -6.645 -0.880
173 HA GLN 17 HA GLN 17 25.186 -7.600 0.687
174 1HB GLN 17 2HB GLN 17 22.862 -7.132 1.549
175 2HB GLN 17 1HB GLN 17 22.278 -8.552 0.712
176 1HG GLN 17 2HG GLN 17 24.572 -8.765 2.705
177 2HG GLN 17 1HG GLN 17 22.903 -8.771 3.251
178 1HE2 GLN 17 2HE2 GLN 17 22.183 -11.904 1.496
179 2HE2 GLN 17 1HE2 GLN 17 21.489 -10.367 1.689
180 NH1 ARG 18 NH2 ARG 18 27.992 -12.091 -1.998
181 NH2 ARG 18 NH1 ARG 18 28.180 -14.286 -1.538
182 H ARG 18 H ARG 18 22.840 -9.380 -1.239
183 HA ARG 18 HA ARG 18 22.873 -11.463 -2.269
184 1HB ARG 18 2HB ARG 18 24.631 -10.217 -3.580
185 2HB ARG 18 1HB ARG 18 25.858 -10.850 -2.513
186 1HG ARG 18 2HG ARG 18 24.558 -13.190 -3.296
187 2HG ARG 18 1HG ARG 18 24.346 -12.189 -4.713
188 1HD ARG 18 2HD ARG 18 26.408 -13.043 -5.263
189 2HD ARG 18 1HD ARG 18 27.019 -11.740 -4.265
190 HE ARG 18 HE ARG 18 26.811 -14.603 -3.513
191 1HH1 ARG 18 1HH2 ARG 18 27.648 -11.345 -2.567
192 2HH1 ARG 18 2HH2 ARG 18 28.550 -11.888 -1.194
193 1HH2 ARG 18 1HH1 ARG 18 27.978 -15.241 -1.754
194 2HH2 ARG 18 2HH1 ARG 18 28.739 -14.061 -0.739
195 1H NH2 19 1HN NH2 18 22.337 -12.725 -0.371
196 2H NH2 19 2HN NH2 18 23.505 -13.649 0.444
Start of MODEL 18
Raw file had 196 H/Q atoms
Start of MODEL 18
1 1H2 SIN 1 1H2 SIN 1 19.030 11.694 -5.042
2 2H2 SIN 1 2H2 SIN 1 19.231 10.446 -6.253
3 1H3 SIN 1 1H3 SIN 1 16.578 10.158 -5.962
4 2H3 SIN 1 2H3 SIN 1 17.243 11.375 -7.035
5 H THR 2 H THR 2 19.971 8.743 -5.324
6 HA THR 2 HA THR 2 18.594 7.008 -3.635
7 HB THR 2 HB THR 2 21.527 7.304 -4.422
8 HG1 THR 2 HG1 THR 2 19.473 5.364 -4.724
9 1HG2 THR 2 1HG2 THR 2 20.298 5.202 -2.558
10 2HG2 THR 2 3HG2 THR 2 21.796 4.945 -3.439
11 3HG2 THR 2 2HG2 THR 2 21.704 6.194 -2.210
12 NH1 ARG 3 NH1 ARG 3 25.572 8.870 0.891
13 NH2 ARG 3 NH2 ARG 3 24.796 10.030 2.659
14 H ARG 3 H ARG 3 20.651 9.672 -2.746
15 HA ARG 3 HA ARG 3 21.153 9.031 -0.025
16 1HB ARG 3 2HB ARG 3 20.706 11.788 -1.260
17 2HB ARG 3 1HB ARG 3 21.491 11.495 0.276
18 1HG ARG 3 2HG ARG 3 22.485 10.619 -2.475
19 2HG ARG 3 1HG ARG 3 23.180 11.871 -1.472
20 1HD ARG 3 2HD ARG 3 23.170 8.879 -0.863
21 2HD ARG 3 1HD ARG 3 24.557 9.888 -1.245
22 HE ARG 3 HE ARG 3 23.107 10.834 1.096
23 1HH1 ARG 3 2HH1 ARG 3 25.513 8.605 -0.072
24 2HH1 ARG 3 1HH1 ARG 3 26.299 8.495 1.466
25 1HH2 ARG 3 1HH2 ARG 3 24.137 10.665 3.061
26 2HH2 ARG 3 2HH2 ARG 3 25.527 9.645 3.223
27 H GLN 4 H GLN 4 18.577 11.051 -1.401
28 HA GLN 4 HA GLN 4 17.141 11.352 1.074
29 1HB GLN 4 2HB GLN 4 16.142 11.532 -1.793
30 2HB GLN 4 1HB GLN 4 15.265 12.115 -0.397
31 1HG GLN 4 2HG GLN 4 16.369 14.097 -0.511
32 2HG GLN 4 1HG GLN 4 17.896 13.281 -0.227
33 1HE2 GLN 4 2HE2 GLN 4 18.647 13.046 -3.767
34 2HE2 GLN 4 1HE2 GLN 4 18.775 12.125 -2.348
35 H ALA 5 H ALA 5 17.307 8.916 -1.323
36 HA ALA 5 HA ALA 5 14.885 7.473 -0.475
37 1HB ALA 5 1HB ALA 5 16.038 7.701 -2.883
38 2HB ALA 5 3HB ALA 5 16.946 6.302 -2.346
39 3HB ALA 5 2HB ALA 5 15.193 6.239 -2.427
40 NH1 ARG 6 NH1 ARG 6 21.822 8.393 2.355
41 NH2 ARG 6 NH2 ARG 6 21.824 10.498 3.152
42 H ARG 6 H ARG 6 16.063 7.620 1.754
43 HA ARG 6 HA ARG 6 18.184 5.756 2.338
44 1HB ARG 6 2HB ARG 6 16.089 6.980 4.191
45 2HB ARG 6 1HB ARG 6 17.529 6.145 4.733
46 1HG ARG 6 2HG ARG 6 17.554 8.660 3.007
47 2HG ARG 6 1HG ARG 6 17.753 8.652 4.744
48 1HD ARG 6 2HD ARG 6 19.792 7.179 4.489
49 2HD ARG 6 1HD ARG 6 19.619 7.316 2.737
50 HE ARG 6 HE ARG 6 19.757 9.848 4.254
51 1HH1 ARG 6 2HH1 ARG 6 21.405 7.487 2.285
52 2HH1 ARG 6 1HH1 ARG 6 22.674 8.586 1.871
53 1HH2 ARG 6 1HH2 ARG 6 21.404 11.220 3.703
54 2HH2 ARG 6 2HH2 ARG 6 22.675 10.675 2.659
55 NH1 ARG 7 NH2 ARG 7 9.935 4.509 3.700
56 NH2 ARG 7 NH1 ARG 7 8.427 3.368 2.479
57 H ARG 7 H ARG 7 14.737 5.523 2.138
58 HA ARG 7 HA ARG 7 14.497 2.947 3.481
59 1HB ARG 7 2HB ARG 7 12.169 2.999 2.561
60 2HB ARG 7 1HB ARG 7 12.578 4.505 3.355
61 1HG ARG 7 2HG ARG 7 13.267 5.310 0.918
62 2HG ARG 7 1HG ARG 7 12.301 3.950 0.383
63 1HD ARG 7 2HD ARG 7 11.223 6.088 2.283
64 2HD ARG 7 1HD ARG 7 11.065 6.169 0.539
65 HE ARG 7 HE ARG 7 9.595 4.293 0.565
66 1HH1 ARG 7 1HH2 ARG 7 10.727 5.115 3.763
67 2HH1 ARG 7 2HH2 ARG 7 9.502 4.166 4.534
68 1HH2 ARG 7 2HH1 ARG 7 8.053 3.094 1.593
69 2HH2 ARG 7 1HH1 ARG 7 8.008 3.034 3.323
70 H ASN 8 H ASN 8 14.843 4.203 0.264
71 HA ASN 8 HA ASN 8 14.569 1.740 -1.176
72 1HB ASN 8 2HB ASN 8 14.448 4.189 -2.056
73 2HB ASN 8 1HB ASN 8 16.204 4.133 -2.093
74 1HD2 ASN 8 2HD2 ASN 8 14.235 2.671 -5.185
75 2HD2 ASN 8 1HD2 ASN 8 13.610 3.773 -4.054
76 NH1 ARG 9 NH2 ARG 9 22.391 5.492 2.070
77 NH2 ARG 9 NH1 ARG 9 23.601 6.828 0.718
78 H ARG 9 H ARG 9 17.134 3.406 0.415
79 HA ARG 9 HA ARG 9 19.377 1.983 -0.637
80 1HB ARG 9 2HB ARG 9 18.836 3.762 1.710
81 2HB ARG 9 1HB ARG 9 20.274 2.782 1.814
82 1HG ARG 9 2HG ARG 9 19.755 4.258 -0.761
83 2HG ARG 9 1HG ARG 9 20.229 5.208 0.624
84 1HD ARG 9 2HD ARG 9 22.115 3.188 0.786
85 2HD ARG 9 1HD ARG 9 21.834 3.218 -0.946
86 HE ARG 9 HE ARG 9 22.961 5.258 -1.030
87 1HH1 ARG 9 1HH2 ARG 9 21.820 4.683 2.207
88 2HH1 ARG 9 2HH2 ARG 9 22.609 6.089 2.842
89 1HH2 ARG 9 1HH1 ARG 9 23.811 7.415 1.500
90 2HH2 ARG 9 2HH1 ARG 9 23.962 7.052 -0.187
91 H ALA 10 H ALA 10 17.043 1.206 1.792
92 HA ALA 10 HA ALA 10 18.550 -0.845 3.167
93 1HB ALA 10 2HB ALA 10 16.449 0.286 4.054
94 2HB ALA 10 1HB ALA 10 15.523 -0.622 2.871
95 3HB ALA 10 3HB ALA 10 16.389 -1.468 4.141
96 NH1 ARG 11 NH1 ARG 11 13.171 -1.822 3.192
97 NH2 ARG 11 NH2 ARG 11 12.183 0.196 3.001
98 H ARG 11 H ARG 11 16.360 -0.772 0.449
99 HA ARG 11 HA ARG 11 16.354 -3.653 0.000
100 1HB ARG 11 2HB ARG 11 15.781 -1.871 -2.347
101 2HB ARG 11 1HB ARG 11 14.850 -3.213 -1.729
102 1HG ARG 11 2HG ARG 11 14.871 -0.386 -0.586
103 2HG ARG 11 1HG ARG 11 13.595 -1.106 -1.538
104 1HD ARG 11 2HD ARG 11 13.015 -2.670 0.209
105 2HD ARG 11 1HD ARG 11 14.486 -2.302 1.108
106 HE ARG 11 HE ARG 11 12.728 -0.005 0.644
107 1HH1 ARG 11 2HH1 ARG 11 13.642 -2.604 2.783
108 2HH1 ARG 11 1HH1 ARG 11 12.983 -1.812 4.174
109 1HH2 ARG 11 1HH2 ARG 11 11.896 0.973 2.440
110 2HH2 ARG 11 2HH2 ARG 11 12.000 0.193 3.984
111 NH1 ARG 12 NH2 ARG 12 19.064 2.371 -5.022
112 NH2 ARG 12 NH1 ARG 12 18.427 3.680 -3.301
113 H ARG 12 H ARG 12 18.038 -0.862 -1.106
114 HA ARG 12 HA ARG 12 19.644 -2.077 -3.159
115 1HB ARG 12 2HB ARG 12 19.056 0.439 -2.657
116 2HB ARG 12 1HB ARG 12 20.440 0.382 -1.585
117 1HG ARG 12 2HG ARG 12 21.787 -0.494 -3.599
118 2HG ARG 12 1HG ARG 12 20.405 -0.074 -4.589
119 1HD ARG 12 2HD ARG 12 22.322 1.738 -3.129
120 2HD ARG 12 1HD ARG 12 21.655 1.924 -4.740
121 HE ARG 12 HE ARG 12 20.519 2.959 -2.284
122 1HH1 ARG 12 1HH2 ARG 12 19.721 1.748 -5.444
123 2HH1 ARG 12 2HH2 ARG 12 18.225 2.618 -5.509
124 1HH2 ARG 12 2HH1 ARG 12 18.593 4.065 -2.393
125 2HH2 ARG 12 1HH1 ARG 12 17.594 3.916 -3.799
126 CH2 TRP 13 CH2 TRP 13 23.491 -6.271 5.202
127 H TRP 13 H TRP 13 19.816 -1.889 0.268
128 HA TRP 13 HA TRP 13 22.650 -2.429 0.509
129 1HB TRP 13 2HB TRP 13 21.197 -1.341 2.339
130 2HB TRP 13 1HB TRP 13 20.446 -2.909 2.591
131 HD1 TRP 13 HD1 TRP 13 23.715 -0.970 3.263
132 HE1 TRP 13 HE1 TRP 13 25.097 -2.420 4.747
133 HE3 TRP 13 HE3 TRP 13 21.006 -5.217 3.155
134 HZ2 TRP 13 HZ2 TRP 13 25.157 -5.073 5.832
135 HZ3 TRP 13 HZ3 TRP 13 21.733 -7.218 4.413
136 HH2 TRP 13 HH2 TRP 13 23.810 -7.143 5.754
137 NH1 ARG 14 NH2 ARG 14 15.653 -5.761 0.923
138 NH2 ARG 14 NH1 ARG 14 15.182 -4.341 2.607
139 H ARG 14 H ARG 14 19.778 -4.357 0.262
140 HA ARG 14 HA ARG 14 21.266 -6.857 0.830
141 1HB ARG 14 2HB ARG 14 18.369 -6.271 0.023
142 2HB ARG 14 1HB ARG 14 18.983 -7.895 0.306
143 1HG ARG 14 2HG ARG 14 19.645 -7.229 2.624
144 2HG ARG 14 1HG ARG 14 19.003 -5.624 2.340
145 1HD ARG 14 2HD ARG 14 16.986 -7.680 1.714
146 2HD ARG 14 1HD ARG 14 17.588 -7.834 3.352
147 HE ARG 14 HE ARG 14 16.801 -5.641 3.865
148 1HH1 ARG 14 1HH2 ARG 14 16.153 -6.545 0.555
149 2HH1 ARG 14 2HH2 ARG 14 14.999 -5.273 0.346
150 1HH2 ARG 14 2HH1 ARG 14 15.324 -4.025 3.544
151 2HH2 ARG 14 1HH1 ARG 14 14.530 -3.870 2.013
152 H ALA 15 H ALA 15 20.058 -4.951 -1.790
153 HA ALA 15 HA ALA 15 20.363 -6.878 -3.907
154 1HB ALA 15 3HB ALA 15 19.073 -4.636 -3.993
155 2HB ALA 15 2HB ALA 15 20.634 -3.853 -4.184
156 3HB ALA 15 1HB ALA 15 20.064 -4.993 -5.393
157 NH1 ARG 16 NH1 ARG 16 22.069 -2.840 -6.480
158 NH2 ARG 16 NH2 ARG 16 22.111 -5.037 -6.980
159 H ARG 16 H ARG 16 22.420 -4.529 -2.348
160 HA ARG 16 HA ARG 16 24.769 -5.310 -4.011
161 1HB ARG 16 2HB ARG 16 24.405 -3.044 -2.002
162 2HB ARG 16 1HB ARG 16 25.828 -3.282 -2.997
163 1HG ARG 16 2HG ARG 16 23.015 -2.751 -4.076
164 2HG ARG 16 1HG ARG 16 24.249 -1.532 -3.877
165 1HD ARG 16 2HD ARG 16 24.572 -2.088 -6.134
166 2HD ARG 16 1HD ARG 16 25.713 -3.190 -5.381
167 HE ARG 16 HE ARG 16 24.362 -4.973 -6.062
168 1HH1 ARG 16 2HH1 ARG 16 22.512 -2.024 -6.111
169 2HH1 ARG 16 1HH1 ARG 16 21.138 -2.784 -6.841
170 1HH2 ARG 16 1HH2 ARG 16 22.589 -5.916 -6.993
171 2HH2 ARG 16 2HH2 ARG 16 21.180 -4.969 -7.337
172 H GLN 17 H GLN 17 23.261 -5.920 -1.091
173 HA GLN 17 HA GLN 17 23.851 -6.919 0.926
174 1HB GLN 17 2HB GLN 17 24.315 -8.592 -1.120
175 2HB GLN 17 1HB GLN 17 25.961 -8.514 -0.531
176 1HG GLN 17 2HG GLN 17 23.472 -9.312 1.064
177 2HG GLN 17 1HG GLN 17 24.766 -10.384 0.558
178 1HE2 GLN 17 2HE2 GLN 17 25.257 -8.032 3.859
179 2HE2 GLN 17 1HE2 GLN 17 23.913 -7.818 2.845
180 NH1 ARG 18 NH1 ARG 18 24.269 0.895 -1.223
181 NH2 ARG 18 NH2 ARG 18 22.562 0.145 0.036
182 H ARG 18 H ARG 18 24.866 -4.598 1.026
183 HA ARG 18 HA ARG 18 27.770 -4.511 1.389
184 1HB ARG 18 2HB ARG 18 25.597 -2.468 2.046
185 2HB ARG 18 1HB ARG 18 27.319 -2.134 2.014
186 1HG ARG 18 2HG ARG 18 27.431 -2.644 -0.379
187 2HG ARG 18 1HG ARG 18 25.762 -3.169 -0.390
188 1HD ARG 18 2HD ARG 18 26.602 -0.331 0.343
189 2HD ARG 18 1HD ARG 18 26.113 -0.829 -1.274
190 HE ARG 18 HE ARG 18 24.192 -1.503 0.838
191 1HH1 ARG 18 1HH1 ARG 18 25.221 0.840 -1.524
192 2HH1 ARG 18 2HH1 ARG 18 23.666 1.598 -1.600
193 1HH2 ARG 18 1HH2 ARG 18 22.191 -0.491 0.713
194 2HH2 ARG 18 2HH2 ARG 18 21.978 0.857 -0.354
195 1H NH2 19 1HN NH2 18 27.127 -2.670 3.908
196 2H NH2 19 2HN NH2 18 27.084 -3.806 5.168
Start of MODEL 19
Raw file had 196 H/Q atoms
Start of MODEL 19
1 1H2 SIN 1 1H2 SIN 1 13.270 10.951 -5.252
2 2H2 SIN 1 2H2 SIN 1 12.591 10.974 -3.632
3 1H3 SIN 1 1H3 SIN 1 13.002 13.297 -4.462
4 2H3 SIN 1 2H3 SIN 1 14.700 12.920 -4.693
5 H THR 2 H THR 2 15.633 10.758 -5.387
6 HA THR 2 HA THR 2 16.588 8.446 -4.055
7 HB THR 2 HB THR 2 18.243 10.562 -5.549
8 HG1 THR 2 HG1 THR 2 16.431 9.742 -6.663
9 1HG2 THR 2 2HG2 THR 2 18.610 7.544 -5.041
10 2HG2 THR 2 1HG2 THR 2 19.590 8.488 -6.153
11 3HG2 THR 2 3HG2 THR 2 19.670 8.804 -4.428
12 NH1 ARG 3 NH1 ARG 3 18.209 17.076 -5.510
13 NH2 ARG 3 NH2 ARG 3 16.492 15.882 -6.441
14 H ARG 3 H ARG 3 17.207 11.840 -3.431
15 HA ARG 3 HA ARG 3 19.243 11.456 -1.430
16 1HB ARG 3 2HB ARG 3 17.423 13.895 -1.496
17 2HB ARG 3 1HB ARG 3 19.098 13.786 -1.036
18 1HG ARG 3 2HG ARG 3 19.551 14.594 -3.112
19 2HG ARG 3 1HG ARG 3 19.308 12.951 -3.652
20 1HD ARG 3 2HD ARG 3 16.999 13.477 -4.321
21 2HD ARG 3 1HD ARG 3 17.105 15.062 -3.612
22 HE ARG 3 HE ARG 3 18.891 14.092 -5.203
23 1HH1 ARG 3 2HH1 ARG 3 19.049 17.068 -4.978
24 2HH1 ARG 3 1HH1 ARG 3 17.812 17.944 -5.791
25 1HH2 ARG 3 1HH2 ARG 3 16.063 14.989 -6.614
26 2HH2 ARG 3 2HH2 ARG 3 16.033 16.725 -6.747
27 H GLN 4 H GLN 4 15.958 10.906 -1.372
28 HA GLN 4 HA GLN 4 15.896 10.788 1.606
29 1HB GLN 4 2HB GLN 4 14.554 12.713 0.368
30 2HB GLN 4 1HB GLN 4 13.444 11.430 -0.065
31 1HG GLN 4 2HG GLN 4 12.650 12.477 1.992
32 2HG GLN 4 1HG GLN 4 13.231 10.874 2.400
33 1HE2 GLN 4 2HE2 GLN 4 15.479 14.130 3.538
34 2HE2 GLN 4 1HE2 GLN 4 14.482 14.245 2.168
35 H ALA 5 H ALA 5 16.318 8.912 -0.757
36 HA ALA 5 HA ALA 5 14.090 6.995 -0.516
37 1HB ALA 5 3HB ALA 5 16.727 6.892 -2.043
38 2HB ALA 5 2HB ALA 5 15.448 5.697 -2.177
39 3HB ALA 5 1HB ALA 5 15.161 7.341 -2.706
40 NH1 ARG 6 NH1 ARG 6 11.178 8.953 5.469
41 NH2 ARG 6 NH2 ARG 6 12.232 10.904 4.921
42 H ARG 6 H ARG 6 15.387 7.564 1.884
43 HA ARG 6 HA ARG 6 17.434 5.908 2.774
44 1HB ARG 6 2HB ARG 6 16.325 6.158 5.042
45 2HB ARG 6 1HB ARG 6 16.608 7.653 4.184
46 1HG ARG 6 2HG ARG 6 13.991 6.770 3.356
47 2HG ARG 6 1HG ARG 6 14.065 6.474 5.071
48 1HD ARG 6 2HD ARG 6 14.195 8.773 5.578
49 2HD ARG 6 1HD ARG 6 14.939 9.174 4.058
50 HE ARG 6 HE ARG 6 13.191 8.306 3.231
51 1HH1 ARG 6 2HH1 ARG 6 11.125 7.964 5.371
52 2HH1 ARG 6 1HH1 ARG 6 10.569 9.418 6.106
53 1HH2 ARG 6 1HH2 ARG 6 12.952 11.374 4.402
54 2HH2 ARG 6 2HH2 ARG 6 11.651 11.428 5.554
55 NH1 ARG 7 NH2 ARG 7 10.992 1.065 4.708
56 NH2 ARG 7 NH1 ARG 7 8.827 1.215 3.988
57 H ARG 7 H ARG 7 14.117 5.037 2.191
58 HA ARG 7 HA ARG 7 14.272 2.459 3.562
59 1HB ARG 7 2HB ARG 7 12.220 3.555 1.585
60 2HB ARG 7 1HB ARG 7 12.014 2.114 2.565
61 1HG ARG 7 2HG ARG 7 12.345 3.580 4.647
62 2HG ARG 7 1HG ARG 7 12.303 4.966 3.578
63 1HD ARG 7 2HD ARG 7 10.084 4.872 3.960
64 2HD ARG 7 1HD ARG 7 9.997 3.625 2.836
65 HE ARG 7 HE ARG 7 9.623 3.949 5.223
66 1HH1 ARG 7 1HH2 ARG 7 11.805 1.524 5.084
67 2HH1 ARG 7 2HH2 ARG 7 11.039 0.087 4.464
68 1HH2 ARG 7 2HH1 ARG 7 8.031 1.787 3.818
69 2HH2 ARG 7 1HH1 ARG 7 8.804 0.253 3.729
70 H ASN 8 H ASN 8 14.343 3.722 0.298
71 HA ASN 8 HA ASN 8 14.669 1.157 -0.977
72 1HB ASN 8 2HB ASN 8 14.032 3.731 -1.860
73 2HB ASN 8 1HB ASN 8 15.655 3.518 -2.497
74 1HD2 ASN 8 2HD2 ASN 8 12.571 1.480 -4.125
75 2HD2 ASN 8 1HD2 ASN 8 12.345 2.573 -2.843
76 NH1 ARG 9 NH2 ARG 9 19.624 9.266 0.313
77 NH2 ARG 9 NH1 ARG 9 17.787 8.943 1.636
78 H ARG 9 H ARG 9 16.731 3.199 0.696
79 HA ARG 9 HA ARG 9 19.230 2.491 -0.637
80 1HB ARG 9 2HB ARG 9 18.405 4.042 1.834
81 2HB ARG 9 1HB ARG 9 20.079 3.537 1.697
82 1HG ARG 9 2HG ARG 9 20.369 4.736 -0.390
83 2HG ARG 9 1HG ARG 9 18.655 4.983 -0.578
84 1HD ARG 9 2HD ARG 9 19.389 6.229 1.872
85 2HD ARG 9 1HD ARG 9 20.547 6.745 0.703
86 HE ARG 9 HE ARG 9 18.072 6.407 0.021
87 1HH1 ARG 9 1HH2 ARG 9 20.282 8.898 -0.354
88 2HH1 ARG 9 2HH2 ARG 9 19.722 10.205 0.653
89 1HH2 ARG 9 2HH1 ARG 9 17.092 8.316 1.975
90 2HH2 ARG 9 1HH1 ARG 9 17.830 9.867 1.994
91 H ALA 10 H ALA 10 17.220 1.392 1.964
92 HA ALA 10 HA ALA 10 19.111 -0.468 3.146
93 1HB ALA 10 2HB ALA 10 16.979 0.425 4.279
94 2HB ALA 10 1HB ALA 10 16.057 -0.619 3.209
95 3HB ALA 10 3HB ALA 10 17.170 -1.318 4.370
96 NH1 ARG 11 NH1 ARG 11 13.219 -0.849 -4.083
97 NH2 ARG 11 NH2 ARG 11 11.124 -1.432 -3.375
98 H ARG 11 H ARG 11 16.705 -0.460 0.649
99 HA ARG 11 HA ARG 11 16.785 -3.298 0.033
100 1HB ARG 11 2HB ARG 11 15.741 -0.879 -1.514
101 2HB ARG 11 1HB ARG 11 15.531 -2.534 -2.048
102 1HG ARG 11 2HG ARG 11 14.254 -3.086 -0.034
103 2HG ARG 11 1HG ARG 11 14.559 -1.513 0.636
104 1HD ARG 11 2HD ARG 11 12.284 -1.672 -0.422
105 2HD ARG 11 1HD ARG 11 13.248 -0.477 -1.230
106 HE ARG 11 HE ARG 11 13.482 -2.933 -1.795
107 1HH1 ARG 11 2HH1 ARG 11 14.205 -0.899 -3.947
108 2HH1 ARG 11 1HH1 ARG 11 12.854 -0.275 -4.815
109 1HH2 ARG 11 1HH2 ARG 11 10.555 -1.927 -2.711
110 2HH2 ARG 11 2HH2 ARG 11 10.686 -0.871 -4.088
111 NH1 ARG 12 NH2 ARG 12 22.094 2.502 0.241
112 NH2 ARG 12 NH1 ARG 12 22.909 4.155 -1.112
113 H ARG 12 H ARG 12 18.459 -0.419 -0.967
114 HA ARG 12 HA ARG 12 19.751 -1.460 -3.323
115 1HB ARG 12 2HB ARG 12 19.610 0.993 -2.781
116 2HB ARG 12 1HB ARG 12 20.647 0.743 -1.391
117 1HG ARG 12 2HG ARG 12 22.405 -0.178 -3.065
118 2HG ARG 12 1HG ARG 12 21.388 0.480 -4.307
119 1HD ARG 12 2HD ARG 12 23.010 2.209 -3.812
120 2HD ARG 12 1HD ARG 12 21.571 2.744 -2.979
121 HE ARG 12 HE ARG 12 23.359 1.005 -1.989
122 1HH1 ARG 12 1HH2 ARG 12 21.915 1.529 0.366
123 2HH1 ARG 12 2HH2 ARG 12 21.790 3.146 0.928
124 1HH2 ARG 12 2HH1 ARG 12 23.363 4.425 -1.966
125 2HH2 ARG 12 1HH1 ARG 12 22.606 4.850 -0.457
126 CH2 TRP 13 CH2 TRP 13 22.880 -6.435 4.943
127 H TRP 13 H TRP 13 20.547 -1.234 0.081
128 HA TRP 13 HA TRP 13 23.136 -2.453 -0.032
129 1HB TRP 13 2HB TRP 13 22.353 -1.133 1.935
130 2HB TRP 13 1HB TRP 13 21.113 -2.335 2.263
131 HD1 TRP 13 HD1 TRP 13 24.982 -1.889 2.332
132 HE1 TRP 13 HE1 TRP 13 25.858 -3.720 3.789
133 HE3 TRP 13 HE3 TRP 13 20.747 -4.519 3.132
134 HZ2 TRP 13 HZ2 TRP 13 24.980 -6.056 5.180
135 HZ3 TRP 13 HZ3 TRP 13 20.776 -6.555 4.529
136 HH2 TRP 13 HH2 TRP 13 22.892 -7.325 5.554
137 NH1 ARG 14 NH1 ARG 14 17.595 -10.432 0.348
138 NH2 ARG 14 NH2 ARG 14 15.672 -10.296 -0.881
139 H ARG 14 H ARG 14 19.864 -3.654 0.306
140 HA ARG 14 HA ARG 14 20.465 -6.382 0.910
141 1HB ARG 14 2HB ARG 14 18.157 -5.133 0.946
142 2HB ARG 14 1HB ARG 14 18.068 -5.529 -0.764
143 1HG ARG 14 2HG ARG 14 18.624 -7.990 -0.010
144 2HG ARG 14 1HG ARG 14 18.226 -7.437 1.618
145 1HD ARG 14 2HD ARG 14 15.996 -6.784 0.726
146 2HD ARG 14 1HD ARG 14 16.354 -7.493 -0.765
147 HE ARG 14 HE ARG 14 15.537 -8.185 1.407
148 1HH1 ARG 14 2HH1 ARG 14 18.173 -10.053 1.078
149 2HH1 ARG 14 1HH1 ARG 14 17.922 -11.223 -0.187
150 1HH2 ARG 14 1HH2 ARG 14 14.822 -9.818 -1.073
151 2HH2 ARG 14 2HH2 ARG 14 15.936 -11.074 -1.447
152 H ALA 15 H ALA 15 20.229 -4.551 -2.042
153 HA ALA 15 HA ALA 15 20.387 -6.705 -3.923
154 1HB ALA 15 1HB ALA 15 19.839 -4.118 -4.248
155 2HB ALA 15 3HB ALA 15 21.568 -3.983 -4.524
156 3HB ALA 15 2HB ALA 15 20.592 -5.016 -5.552
157 NH1 ARG 16 NH2 ARG 16 29.627 -3.838 -4.915
158 NH2 ARG 16 NH1 ARG 16 29.424 -1.807 -3.880
159 H ARG 16 H ARG 16 22.711 -4.875 -2.103
160 HA ARG 16 HA ARG 16 25.091 -5.744 -3.474
161 1HB ARG 16 2HB ARG 16 24.775 -3.742 -1.806
162 2HB ARG 16 1HB ARG 16 24.951 -4.938 -0.545
163 1HG ARG 16 2HG ARG 16 27.149 -4.229 -0.767
164 2HG ARG 16 1HG ARG 16 27.150 -5.653 -1.779
165 1HD ARG 16 2HD ARG 16 26.977 -4.237 -3.782
166 2HD ARG 16 1HD ARG 16 26.844 -2.799 -2.811
167 HE ARG 16 HE ARG 16 28.584 -4.287 -2.033
168 1HH1 ARG 16 1HH2 ARG 16 29.461 -4.819 -4.895
169 2HH1 ARG 16 2HH2 ARG 16 30.029 -3.424 -5.730
170 1HH2 ARG 16 2HH1 ARG 16 29.112 -1.285 -3.081
171 2HH2 ARG 16 1HH1 ARG 16 29.820 -1.325 -4.671
172 H GLN 17 H GLN 17 23.162 -7.004 -0.837
173 HA GLN 17 HA GLN 17 25.015 -9.090 -0.046
174 1HB GLN 17 2HB GLN 17 21.995 -9.210 0.346
175 2HB GLN 17 1HB GLN 17 23.235 -9.947 1.334
176 1HG GLN 17 2HG GLN 17 22.455 -7.027 1.202
177 2HG GLN 17 1HG GLN 17 22.472 -8.085 2.595
178 1HE2 GLN 17 2HE2 GLN 17 26.013 -7.797 3.100
179 2HE2 GLN 17 1HE2 GLN 17 24.713 -8.874 3.282
180 NH1 ARG 18 NH1 ARG 18 19.385 -11.718 -5.765
181 NH2 ARG 18 NH2 ARG 18 17.221 -10.981 -5.654
182 H ARG 18 H ARG 18 22.345 -8.844 -2.281
183 HA ARG 18 HA ARG 18 23.252 -11.202 -3.760
184 1HB ARG 18 2HB ARG 18 20.993 -12.328 -3.619
185 2HB ARG 18 1HB ARG 18 21.866 -12.331 -2.111
186 1HG ARG 18 2HG ARG 18 20.120 -11.317 -1.092
187 2HG ARG 18 1HG ARG 18 20.305 -9.910 -2.098
188 1HD ARG 18 2HD ARG 18 18.813 -12.317 -3.161
189 2HD ARG 18 1HD ARG 18 18.082 -11.101 -2.231
190 HE ARG 18 HE ARG 18 18.628 -9.671 -3.318
191 1HH1 ARG 18 1HH1 ARG 18 20.304 -11.759 -5.360
192 2HH1 ARG 18 2HH1 ARG 18 19.190 -12.213 -6.617
193 1HH2 ARG 18 1HH2 ARG 18 16.528 -10.487 -5.138
194 2HH2 ARG 18 2HH2 ARG 18 16.974 -11.440 -6.498
195 1H NH2 19 1HN NH2 18 22.710 -11.000 -5.944
196 2H NH2 19 2HN NH2 18 21.689 -9.793 -6.562
Start of MODEL 20
Start of MODEL 20
1 1H2 SIN 1 1H2 SIN 1 13.473 12.559 -3.857
2 2H2 SIN 1 2H2 SIN 1 12.410 11.210 -3.495
3 1H3 SIN 1 1H3 SIN 1 12.531 13.343 -1.866
4 2H3 SIN 1 2H3 SIN 1 13.933 12.518 -1.217
5 H THR 2 H THR 2 15.067 11.472 -4.887
6 HA THR 2 HA THR 2 16.189 8.962 -4.096
7 HB THR 2 HB THR 2 17.516 11.199 -5.760
8 HG1 THR 2 HG1 THR 2 15.418 10.486 -6.405
9 1HG2 THR 2 1HG2 THR 2 17.868 8.135 -5.669
10 2HG2 THR 2 3HG2 THR 2 18.580 9.177 -6.889
11 3HG2 THR 2 2HG2 THR 2 19.103 9.300 -5.220
12 NH1 ARG 3 NH2 ARG 3 22.892 14.866 -0.280
13 NH2 ARG 3 NH1 ARG 3 22.391 17.040 0.251
14 H ARG 3 H ARG 3 17.100 12.274 -3.419
15 HA ARG 3 HA ARG 3 19.510 11.703 -1.991
16 1HB ARG 3 2HB ARG 3 18.380 13.994 -2.914
17 2HB ARG 3 1HB ARG 3 17.868 14.122 -1.239
18 1HG ARG 3 2HG ARG 3 20.281 13.759 -0.534
19 2HG ARG 3 1HG ARG 3 20.738 13.742 -2.236
20 1HD ARG 3 2HD ARG 3 19.645 16.061 -2.295
21 2HD ARG 3 1HD ARG 3 19.780 16.074 -0.626
22 HE ARG 3 HE ARG 3 21.246 16.462 -2.551
23 1HH1 ARG 3 1HH2 ARG 3 22.774 14.090 -0.909
24 2HH1 ARG 3 2HH2 ARG 3 23.441 14.755 0.565
25 1HH2 ARG 3 2HH1 ARG 3 21.904 17.874 0.030
26 2HH2 ARG 3 1HH1 ARG 3 22.923 17.000 1.089
27 H GLN 4 H GLN 4 16.217 11.418 -1.130
28 HA GLN 4 HA GLN 4 16.968 10.810 1.700
29 1HB GLN 4 2HB GLN 4 15.626 12.995 1.250
30 2HB GLN 4 1HB GLN 4 14.269 11.959 0.869
31 1HG GLN 4 2HG GLN 4 14.025 11.210 3.072
32 2HG GLN 4 1HG GLN 4 15.728 11.423 3.452
33 1HE2 GLN 4 2HE2 GLN 4 15.251 14.633 4.771
34 2HE2 GLN 4 1HE2 GLN 4 16.276 13.295 4.567
35 H ALA 5 H ALA 5 16.799 9.060 -0.612
36 HA ALA 5 HA ALA 5 14.380 7.406 -0.206
37 1HB ALA 5 2HB ALA 5 15.609 7.896 -2.456
38 2HB ALA 5 1HB ALA 5 16.783 6.707 -1.931
39 3HB ALA 5 3HB ALA 5 15.100 6.257 -2.163
40 NH1 ARG 6 NH2 ARG 6 17.341 9.186 6.306
41 NH2 ARG 6 NH1 ARG 6 16.282 11.182 5.906
42 H ARG 6 H ARG 6 15.623 7.602 2.125
43 HA ARG 6 HA ARG 6 17.696 5.800 2.774
44 1HB ARG 6 2HB ARG 6 16.693 5.923 5.127
45 2HB ARG 6 1HB ARG 6 17.134 7.438 4.385
46 1HG ARG 6 2HG ARG 6 14.329 6.688 3.786
47 2HG ARG 6 1HG ARG 6 14.630 6.787 5.500
48 1HD ARG 6 2HD ARG 6 15.675 9.037 3.835
49 2HD ARG 6 1HD ARG 6 14.027 8.930 4.159
50 HE ARG 6 HE ARG 6 14.131 9.003 5.944
51 1HH1 ARG 6 1HH2 ARG 6 17.288 8.178 6.367
52 2HH1 ARG 6 2HH2 ARG 6 18.227 9.650 6.438
53 1HH2 ARG 6 2HH1 ARG 6 15.449 11.654 5.661
54 2HH2 ARG 6 1HH1 ARG 6 17.118 11.697 6.041
55 NH1 ARG 7 NH1 ARG 7 12.828 -0.163 -0.360
56 NH2 ARG 7 NH2 ARG 7 12.768 -2.060 0.908
57 H ARG 7 H ARG 7 14.272 5.185 2.376
58 HA ARG 7 HA ARG 7 14.329 2.545 3.601
59 1HB ARG 7 2HB ARG 7 12.266 4.120 3.223
60 2HB ARG 7 1HB ARG 7 12.284 3.566 1.565
61 1HG ARG 7 2HG ARG 7 12.323 1.510 3.784
62 2HG ARG 7 1HG ARG 7 10.825 2.321 3.442
63 1HD ARG 7 2HD ARG 7 10.652 0.691 1.887
64 2HD ARG 7 1HD ARG 7 11.642 1.611 0.842
65 HE ARG 7 HE ARG 7 12.514 -0.266 2.919
66 1HH1 ARG 7 2HH1 ARG 7 12.798 0.844 -0.432
67 2HH1 ARG 7 1HH1 ARG 7 12.941 -0.712 -1.190
68 1HH2 ARG 7 1HH2 ARG 7 12.647 -2.474 1.801
69 2HH2 ARG 7 2HH2 ARG 7 12.922 -2.646 0.133
70 H ASN 8 H ASN 8 14.400 3.947 0.400
71 HA ASN 8 HA ASN 8 14.600 1.515 -1.073
72 1HB ASN 8 2HB ASN 8 15.664 4.261 -1.853
73 2HB ASN 8 1HB ASN 8 15.247 2.966 -2.964
74 1HD2 ASN 8 2HD2 ASN 8 11.773 3.612 -2.865
75 2HD2 ASN 8 1HD2 ASN 8 13.001 2.569 -3.399
76 NH1 ARG 9 NH2 ARG 9 23.567 4.236 3.465
77 NH2 ARG 9 NH1 ARG 9 24.150 2.042 3.122
78 H ARG 9 H ARG 9 16.836 3.384 0.711
79 HA ARG 9 HA ARG 9 19.293 2.483 -0.465
80 1HB ARG 9 2HB ARG 9 18.657 4.365 1.423
81 2HB ARG 9 1HB ARG 9 19.229 3.105 2.488
82 1HG ARG 9 2HG ARG 9 20.781 4.245 0.115
83 2HG ARG 9 1HG ARG 9 21.031 4.715 1.780
84 1HD ARG 9 2HD ARG 9 21.506 2.131 2.189
85 2HD ARG 9 1HD ARG 9 21.731 2.103 0.472
86 HE ARG 9 HE ARG 9 22.994 3.594 0.531
87 1HH1 ARG 9 1HH2 ARG 9 23.138 5.052 3.111
88 2HH1 ARG 9 2HH2 ARG 9 23.925 4.227 4.388
89 1HH2 ARG 9 2HH1 ARG 9 24.160 1.238 2.509
90 2HH2 ARG 9 1HH1 ARG 9 24.517 1.965 4.058
91 H ALA 10 H ALA 10 17.079 1.189 1.891
92 HA ALA 10 HA ALA 10 18.813 -0.907 2.866
93 1HB ALA 10 1HB ALA 10 16.585 -0.046 3.949
94 2HB ALA 10 3HB ALA 10 15.754 -1.024 2.750
95 3HB ALA 10 2HB ALA 10 16.803 -1.787 3.933
96 NH1 ARG 11 NH1 ARG 11 13.361 0.368 -2.942
97 NH2 ARG 11 NH2 ARG 11 11.991 -0.291 -4.657
98 H ARG 11 H ARG 11 16.325 -0.727 0.409
99 HA ARG 11 HA ARG 11 16.563 -3.437 -0.484
100 1HB ARG 11 2HB ARG 11 14.690 -1.822 -1.029
101 2HB ARG 11 1HB ARG 11 15.771 -0.981 -2.121
102 1HG ARG 11 2HG ARG 11 15.940 -2.892 -3.577
103 2HG ARG 11 1HG ARG 11 15.211 -3.955 -2.397
104 1HD ARG 11 2HD ARG 11 13.525 -3.367 -3.960
105 2HD ARG 11 1HD ARG 11 13.111 -2.437 -2.610
106 HE ARG 11 HE ARG 11 14.495 -2.003 -4.847
107 1HH1 ARG 11 2HH1 ARG 11 14.204 0.221 -2.406
108 2HH1 ARG 11 1HH1 ARG 11 12.725 1.108 -2.685
109 1HH2 ARG 11 1HH2 ARG 11 11.811 -0.935 -5.385
110 2HH2 ARG 11 2HH2 ARG 11 11.338 0.426 -4.469
111 NH1 ARG 12 NH2 ARG 12 18.828 -1.867 -5.649
112 NH2 ARG 12 NH1 ARG 12 20.080 -1.187 -7.450
113 H ARG 12 H ARG 12 18.450 -0.607 -0.925
114 HA ARG 12 HA ARG 12 19.899 -1.547 -3.249
115 1HB ARG 12 2HB ARG 12 19.539 0.941 -2.400
116 2HB ARG 12 1HB ARG 12 20.899 0.611 -1.349
117 1HG ARG 12 2HG ARG 12 21.810 1.605 -3.330
118 2HG ARG 12 1HG ARG 12 22.231 -0.082 -3.402
119 1HD ARG 12 2HD ARG 12 19.646 0.694 -4.734
120 2HD ARG 12 1HD ARG 12 21.124 1.108 -5.489
121 HE ARG 12 HE ARG 12 21.781 -0.811 -4.916
122 1HH1 ARG 12 1HH2 ARG 12 18.726 -1.936 -4.649
123 2HH1 ARG 12 2HH2 ARG 12 18.083 -2.183 -6.250
124 1HH2 ARG 12 2HH1 ARG 12 20.904 -0.754 -7.785
125 2HH2 ARG 12 1HH1 ARG 12 19.387 -1.493 -8.092
126 CH2 TRP 13 CH2 TRP 13 19.590 -4.842 5.311
127 H TRP 13 H TRP 13 20.657 -1.306 0.210
128 HA TRP 13 HA TRP 13 23.221 -2.623 -0.213
129 1HB TRP 13 2HB TRP 13 23.518 -2.557 2.191
130 2HB TRP 13 1HB TRP 13 22.896 -1.028 1.643
131 HD1 TRP 13 HD1 TRP 13 21.331 0.090 3.205
132 HE1 TRP 13 HE1 TRP 13 19.788 -0.694 4.988
133 HE3 TRP 13 HE3 TRP 13 21.815 -4.955 2.777
134 HZ2 TRP 13 HZ2 TRP 13 18.795 -3.045 6.172
135 HZ3 TRP 13 HZ3 TRP 13 20.551 -6.445 4.258
136 HH2 TRP 13 HH2 TRP 13 19.034 -5.499 5.965
137 NH1 ARG 14 NH1 ARG 14 15.660 -6.187 -1.025
138 NH2 ARG 14 NH2 ARG 14 14.385 -4.678 0.140
139 H ARG 14 H ARG 14 20.009 -3.644 0.129
140 HA ARG 14 HA ARG 14 20.556 -6.300 1.197
141 1HB ARG 14 2HB ARG 14 18.172 -4.934 -0.118
142 2HB ARG 14 1HB ARG 14 18.154 -6.676 0.069
143 1HG ARG 14 2HG ARG 14 18.249 -6.550 2.449
144 2HG ARG 14 1HG ARG 14 18.701 -4.875 2.424
145 1HD ARG 14 2HD ARG 14 16.282 -5.241 3.048
146 2HD ARG 14 1HD ARG 14 16.437 -4.197 1.657
147 HE ARG 14 HE ARG 14 16.139 -6.934 1.772
148 1HH1 ARG 14 2HH1 ARG 14 16.340 -6.907 -0.995
149 2HH1 ARG 14 1HH1 ARG 14 15.326 -5.875 -1.896
150 1HH2 ARG 14 1HH2 ARG 14 14.096 -4.288 1.027
151 2HH2 ARG 14 2HH2 ARG 14 14.030 -4.294 -0.717
152 H ALA 15 H ALA 15 20.057 -4.812 -1.936
153 HA ALA 15 HA ALA 15 20.372 -7.244 -3.488
154 1HB ALA 15 2HB ALA 15 20.528 -4.282 -4.212
155 2HB ALA 15 1HB ALA 15 20.634 -5.568 -5.405
156 3HB ALA 15 3HB ALA 15 19.164 -5.358 -4.467
157 NH1 ARG 16 NH1 ARG 16 24.432 -0.670 -1.413
158 NH2 ARG 16 NH2 ARG 16 26.490 0.011 -0.670
159 H ARG 16 H ARG 16 22.399 -4.694 -2.327
160 HA ARG 16 HA ARG 16 24.811 -5.243 -3.753
161 1HB ARG 16 2HB ARG 16 24.224 -3.152 -2.434
162 2HB ARG 16 1HB ARG 16 24.486 -4.083 -0.968
163 1HG ARG 16 2HG ARG 16 26.860 -4.504 -2.254
164 2HG ARG 16 1HG ARG 16 26.455 -2.942 -2.889
165 1HD ARG 16 2HD ARG 16 26.943 -3.701 -0.032
166 2HD ARG 16 1HD ARG 16 27.667 -2.374 -0.874
167 HE ARG 16 HE ARG 16 25.319 -2.881 0.355
168 1HH1 ARG 16 2HH1 ARG 16 23.757 -1.393 -1.468
169 2HH1 ARG 16 1HH1 ARG 16 24.262 0.182 -1.876
170 1HH2 ARG 16 1HH2 ARG 16 27.339 -0.191 -0.159
171 2HH2 ARG 16 2HH2 ARG 16 26.387 0.890 -1.146
172 H GLN 17 H GLN 17 23.569 -6.282 -0.643
173 HA GLN 17 HA GLN 17 25.840 -8.105 -0.169
174 1HB GLN 17 2HB GLN 17 23.326 -7.519 1.455
175 2HB GLN 17 1HB GLN 17 24.637 -8.549 1.996
176 1HG GLN 17 2HG GLN 17 24.986 -5.596 1.261
177 2HG GLN 17 1HG GLN 17 24.814 -6.200 2.900
178 1HE2 GLN 17 2HE2 GLN 17 28.115 -7.534 3.037
179 2HE2 GLN 17 1HE2 GLN 17 26.563 -7.627 3.721
180 NH1 ARG 18 NH2 ARG 18 27.391 -9.069 -3.863
181 NH2 ARG 18 NH1 ARG 18 26.923 -9.768 -1.739
182 H ARG 18 H ARG 18 23.029 -8.177 -1.874
183 HA ARG 18 HA ARG 18 21.693 -9.807 -2.820
184 1HB ARG 18 2HB ARG 18 24.162 -11.540 -2.281
185 2HB ARG 18 1HB ARG 18 22.880 -11.929 -3.410
186 1HG ARG 18 2HG ARG 18 23.445 -10.138 -4.865
187 2HG ARG 18 1HG ARG 18 24.404 -9.306 -3.673
188 1HD ARG 18 2HD ARG 18 25.153 -11.983 -4.858
189 2HD ARG 18 1HD ARG 18 25.851 -10.494 -5.464
190 HE ARG 18 HE ARG 18 26.180 -12.064 -3.134
191 1HH1 ARG 18 1HH2 ARG 18 27.391 -9.238 -4.860
192 2HH1 ARG 18 2HH2 ARG 18 27.728 -8.193 -3.509
193 1HH2 ARG 18 1HH1 ARG 18 26.535 -10.464 -1.148
194 2HH2 ARG 18 2HH1 ARG 18 27.278 -8.946 -1.333
195 1H NH2 19 1HN NH2 18 21.557 -9.517 0.178
196 2H NH2 19 2HN NH2 18 20.882 -10.972 0.732
No H/Q in entry = 196
No H/Q in entry = 196
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