NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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627177 |
6cgw   |
30411 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 TYR 1 1H TYR 1 -0.268 4.260 -2.730
2 H2 TYR 1 2H TYR 1 -0.372 5.816 -3.092
3 H3 TYR 1 3H TYR 1 0.991 4.953 -3.435
4 HA TYR 1 HA TYR 1 0.857 6.666 -1.573
5 HB2 TYR 1 1HB TYR 1 -0.147 4.067 -0.428
6 HB3 TYR 1 2HB TYR 1 0.694 5.251 0.567
7 HD1 TYR 1 HD1 TYR 1 -2.144 5.079 -1.861
8 HD2 TYR 1 HD2 TYR 1 -0.577 6.814 1.694
9 HE1 TYR 1 HE1 TYR 1 -4.260 6.289 -1.526
10 HE2 TYR 1 HE2 TYR 1 -2.688 8.028 2.039
11 HH TYR 1 HH TYR 1 -5.315 7.450 1.123
12 H CYS 2 H CYS 2 1.742 3.209 -1.564
13 HA CYS 2 HA CYS 2 4.338 3.640 -0.520
14 HB2 CYS 2 1HB CYS 2 3.452 1.275 -2.176
15 HB3 CYS 2 2HB CYS 2 4.738 1.322 -0.974
16 H GLN 3 H GLN 3 6.202 2.470 -1.956
17 HA GLN 3 HA GLN 3 6.192 3.722 -4.613
18 HB2 GLN 3 1HB GLN 3 8.264 4.761 -4.312
19 HB3 GLN 3 2HB GLN 3 7.427 5.068 -2.797
20 HG2 GLN 3 1HG GLN 3 9.710 3.234 -3.359
21 HG3 GLN 3 2HG GLN 3 9.531 4.450 -2.096
22 HE21 GLN 3 1HE2 GLN 3 7.275 3.864 -0.854
23 HE22 GLN 3 2HE2 GLN 3 7.309 2.273 -0.182
24 H LYS 4 H LYS 4 5.622 1.192 -4.600
25 HA LYS 4 HA LYS 4 6.239 -0.763 -5.607
26 HB2 LYS 4 1HB LYS 4 8.041 0.945 -6.642
27 HB3 LYS 4 2HB LYS 4 9.126 -0.095 -5.730
28 HG2 LYS 4 1HG LYS 4 7.645 -1.959 -6.974
29 HG3 LYS 4 2HG LYS 4 7.560 -0.654 -8.159
30 HD2 LYS 4 1HD LYS 4 9.478 -1.683 -8.857
31 HD3 LYS 4 2HD LYS 4 10.162 -0.546 -7.694
32 HE2 LYS 4 1HE LYS 4 9.808 -2.479 -5.994
33 HE3 LYS 4 2HE LYS 4 9.724 -3.495 -7.433
34 HZ1 LYS 4 1HZ LYS 4 11.988 -1.752 -6.630
35 HZ2 LYS 4 2HZ LYS 4 11.907 -2.605 -8.088
36 HZ3 LYS 4 3HZ LYS 4 11.963 -3.444 -6.620
37 H TRP 5 H TRP 5 7.632 0.494 -2.799
38 HA TRP 5 HA TRP 5 8.314 -0.476 -0.857
39 HB2 TRP 5 1HB TRP 5 6.427 -2.080 -1.405
40 HB3 TRP 5 2HB TRP 5 7.645 -3.147 -2.100
41 HD1 TRP 5 HD1 TRP 5 7.786 -1.193 1.252
42 HE1 TRP 5 HE1 TRP 5 8.228 -2.890 3.136
43 HE3 TRP 5 HE3 TRP 5 7.704 -5.502 -1.499
44 HZ2 TRP 5 HZ2 TRP 5 8.507 -5.685 3.418
45 HZ3 TRP 5 HZ3 TRP 5 8.067 -7.644 -0.346
46 HH2 TRP 5 HH2 TRP 5 8.461 -7.732 2.062
47 H NLE 6 H NLE 6 10.264 -0.684 -0.217
48 HA NLE 6 HA NLE 6 12.643 -1.214 -0.159
49 HB2 NLE 6 1HB NLE 6 11.628 -3.539 -0.792
50 HB3 NLE 6 2HB NLE 6 12.173 -3.202 -2.432
51 HG2 NLE 6 1HG NLE 6 14.406 -3.585 -1.895
52 HG3 NLE 6 2HG NLE 6 14.320 -2.705 -0.373
53 HD2 NLE 6 1HD NLE 6 12.841 -4.874 0.400
54 HD3 NLE 6 2HD NLE 6 13.741 -5.650 -0.910
55 HE1 NLE 6 1HE NLE 6 14.937 -4.136 1.358
56 HE2 NLE 6 2HE NLE 6 14.913 -5.794 1.161
57 HE3 NLE 6 3HE NLE 6 15.803 -4.851 0.113
58 H TRP 7 H TRP 7 10.989 0.388 -2.538
59 HA TRP 7 HA TRP 7 13.405 1.005 -4.102
60 HB2 TRP 7 1HB TRP 7 11.800 0.361 -5.660
61 HB3 TRP 7 2HB TRP 7 10.480 1.096 -4.754
62 HD1 TRP 7 HD1 TRP 7 9.754 3.477 -5.455
63 HE1 TRP 7 HE1 TRP 7 10.605 5.202 -7.166
64 HE3 TRP 7 HE3 TRP 7 14.143 1.213 -6.774
65 HZ2 TRP 7 HZ2 TRP 7 12.841 5.555 -8.852
66 HZ3 TRP 7 HZ3 TRP 7 15.580 2.308 -8.443
67 HH2 TRP 7 HH2 TRP 7 14.941 4.435 -9.460
68 H THR 8 H THR 8 13.801 3.236 -4.659
69 HA THR 8 HA THR 8 13.374 4.987 -2.422
70 HB THR 8 HB THR 8 14.764 6.590 -3.629
71 HG1 THR 8 HG1 THR 8 14.258 6.374 -5.746
72 HG21 THR 8 1HG2 THR 8 15.622 4.286 -2.561
73 HG22 THR 8 2HG2 THR 8 16.713 5.470 -3.284
74 HG23 THR 8 3HG2 THR 8 16.195 4.063 -4.214
75 H CYS 9 H CYS 9 11.303 5.629 -2.245
76 HA CYS 9 HA CYS 9 9.374 6.299 -4.027
77 HB2 CYS 9 1HB CYS 9 8.877 8.241 -2.266
78 HB3 CYS 9 2HB CYS 9 8.755 6.573 -1.802
79 H ASP 10 H ASP 10 9.646 7.413 -5.969
80 HA ASP 10 HA ASP 10 9.817 10.149 -5.983
81 HB2 ASP 10 1HB ASP 10 12.409 8.944 -5.559
82 HB3 ASP 10 2HB ASP 10 12.389 9.850 -7.069
83 H SER 11 H SER 11 11.852 8.013 -7.958
84 HA SER 11 HA SER 11 10.753 8.993 -10.387
85 HB2 SER 11 1HB SER 11 13.030 7.591 -9.684
86 HB3 SER 11 2HB SER 11 12.094 6.400 -10.589
87 HG SER 11 HG SER 11 12.266 7.585 -12.364
88 H LYS 12 H LYS 12 9.543 6.848 -8.151
89 HA LYS 12 HA LYS 12 7.873 5.514 -10.181
90 HB2 LYS 12 1HB LYS 12 8.831 4.521 -7.497
91 HB3 LYS 12 2HB LYS 12 7.538 3.740 -8.399
92 HG2 LYS 12 1HG LYS 12 10.132 4.219 -9.771
93 HG3 LYS 12 2HG LYS 12 10.029 2.921 -8.579
94 HD2 LYS 12 1HD LYS 12 8.029 3.195 -10.804
95 HD3 LYS 12 2HD LYS 12 9.551 2.326 -11.019
96 HE2 LYS 12 1HE LYS 12 8.935 0.921 -9.049
97 HE3 LYS 12 2HE LYS 12 7.364 1.719 -9.034
98 HZ1 LYS 12 1HZ LYS 12 8.489 0.008 -11.180
99 HZ2 LYS 12 2HZ LYS 12 7.084 0.930 -11.366
100 HZ3 LYS 12 3HZ LYS 12 7.136 -0.310 -10.215
101 H ARG 13 H ARG 13 7.839 6.523 -6.759
102 HA ARG 13 HA ARG 13 5.576 8.131 -6.935
103 HB2 ARG 13 1HB ARG 13 4.064 6.435 -5.585
104 HB3 ARG 13 2HB ARG 13 4.069 6.450 -7.343
105 HG2 ARG 13 1HG ARG 13 6.127 4.706 -6.351
106 HG3 ARG 13 2HG ARG 13 4.560 4.283 -5.659
107 HD2 ARG 13 1HD ARG 13 4.241 4.855 -8.442
108 HD3 ARG 13 2HD ARG 13 5.550 3.694 -8.237
109 HE ARG 13 HE ARG 13 2.739 3.286 -7.634
110 HH11 ARG 13 1HH1 ARG 13 6.009 2.120 -7.375
111 HH12 ARG 13 2HH1 ARG 13 5.538 0.483 -7.054
112 HH21 ARG 13 1HH2 ARG 13 2.106 1.135 -7.211
113 HH22 ARG 13 2HH2 ARG 13 3.318 -0.075 -6.963
114 H ALA 14 H ALA 14 4.576 8.528 -4.714
115 HA ALA 14 HA ALA 14 6.627 9.114 -2.883
116 HB1 ALA 14 1HB ALA 14 5.040 10.478 -2.151
117 HB2 ALA 14 2HB ALA 14 3.838 9.641 -3.136
118 HB3 ALA 14 3HB ALA 14 4.168 9.093 -1.492
119 H CYS 15 H CYS 15 6.249 8.522 -0.457
120 HA CYS 15 HA CYS 15 6.256 5.591 -0.335
121 HB2 CYS 15 1HB CYS 15 7.630 7.731 1.239
122 HB3 CYS 15 2HB CYS 15 7.042 6.328 2.194
123 H CYS 16 H CYS 16 5.605 4.333 1.402
124 HA CYS 16 HA CYS 16 2.798 4.995 1.633
125 HB2 CYS 16 1HB CYS 16 4.348 2.612 1.649
126 HB3 CYS 16 2HB CYS 16 3.494 2.697 3.185
127 H GLU 17 H GLU 17 1.902 4.166 4.004
128 HA GLU 17 HA GLU 17 2.753 6.218 5.887
129 HB2 GLU 17 1HB GLU 17 0.421 5.459 5.597
130 HB3 GLU 17 2HB GLU 17 0.838 3.871 6.226
131 HG2 GLU 17 1HG GLU 17 1.190 6.476 7.781
132 HG3 GLU 17 2HG GLU 17 -0.286 5.519 7.821
133 H GLY 18 H GLY 18 4.366 6.036 7.302
134 HA2 GLY 18 1HA GLY 18 5.522 5.053 9.118
135 HA3 GLY 18 2HA GLY 18 5.061 3.466 8.520
136 H LEU 19 H LEU 19 5.890 3.822 5.826
137 HA LEU 19 HA LEU 19 8.485 2.914 5.893
138 HB2 LEU 19 1HB LEU 19 6.674 3.967 3.853
139 HB3 LEU 19 2HB LEU 19 8.378 4.180 3.465
140 HG LEU 19 HG LEU 19 8.763 1.894 3.325
141 HD11 LEU 19 1HD1 LEU 19 7.013 0.231 4.115
142 HD12 LEU 19 2HD1 LEU 19 6.275 1.581 4.977
143 HD13 LEU 19 3HD1 LEU 19 7.924 1.083 5.363
144 HD21 LEU 19 1HD2 LEU 19 6.945 2.967 1.705
145 HD22 LEU 19 2HD2 LEU 19 5.938 1.719 2.439
146 HD23 LEU 19 3HD2 LEU 19 7.423 1.272 1.597
147 H ARG 20 H ARG 20 10.426 3.994 4.878
148 HA ARG 20 HA ARG 20 10.641 6.774 5.832
149 HB2 ARG 20 1HB ARG 20 13.095 6.207 6.192
150 HB3 ARG 20 2HB ARG 20 11.949 5.490 7.317
151 HG2 ARG 20 1HG ARG 20 12.018 3.408 5.939
152 HG3 ARG 20 2HG ARG 20 13.321 4.145 5.003
153 HD2 ARG 20 1HD ARG 20 14.749 4.228 6.897
154 HD3 ARG 20 2HD ARG 20 13.429 3.824 7.993
155 HE ARG 20 HE ARG 20 13.857 1.775 6.066
156 HH11 ARG 20 1HH1 ARG 20 15.089 3.109 9.036
157 HH12 ARG 20 2HH1 ARG 20 15.791 1.615 9.567
158 HH21 ARG 20 1HH2 ARG 20 14.777 -0.195 6.753
159 HH22 ARG 20 2HH2 ARG 20 15.614 -0.263 8.267
160 H CYS 21 H CYS 21 10.402 7.890 4.054
161 HA CYS 21 HA CYS 21 11.481 7.153 1.522
162 HB2 CYS 21 1HB CYS 21 9.446 8.589 2.028
163 HB3 CYS 21 2HB CYS 21 10.545 9.918 2.374
164 H LYS 22 H LYS 22 13.034 8.451 4.147
165 HA LYS 22 HA LYS 22 15.177 9.765 3.017
166 HB2 LYS 22 1HB LYS 22 14.510 9.063 5.540
167 HB3 LYS 22 2HB LYS 22 15.831 7.937 5.252
168 HG2 LYS 22 1HG LYS 22 17.345 9.738 4.791
169 HG3 LYS 22 2HG LYS 22 16.032 10.916 4.868
170 HD2 LYS 22 1HD LYS 22 15.699 9.930 7.274
171 HD3 LYS 22 2HD LYS 22 17.378 9.421 7.075
172 HE2 LYS 22 1HE LYS 22 18.015 11.735 6.593
173 HE3 LYS 22 2HE LYS 22 16.339 12.240 6.798
174 HZ1 LYS 22 1HZ LYS 22 16.893 10.889 9.092
175 HZ2 LYS 22 2HZ LYS 22 16.885 12.571 8.915
176 HZ3 LYS 22 3HZ LYS 22 18.336 11.715 8.781
177 H LEU 23 H LEU 23 16.346 9.084 1.342
178 HA LEU 23 HA LEU 23 17.881 7.867 0.171
179 HB2 LEU 23 1HB LEU 23 18.477 7.185 2.672
180 HB3 LEU 23 2HB LEU 23 17.880 5.624 2.113
181 HG LEU 23 HG LEU 23 20.220 7.180 1.021
182 HD11 LEU 23 1HD1 LEU 23 20.093 5.480 3.161
183 HD12 LEU 23 2HD1 LEU 23 21.537 5.827 2.211
184 HD13 LEU 23 3HD1 LEU 23 20.563 4.403 1.846
185 HD21 LEU 23 1HD2 LEU 23 18.649 4.924 -0.103
186 HD22 LEU 23 2HD2 LEU 23 20.403 4.879 -0.276
187 HD23 LEU 23 3HD2 LEU 23 19.488 6.242 -0.923
188 H TRP 24 H TRP 24 15.776 5.517 1.842
189 HA TRP 24 HA TRP 24 14.492 4.810 -0.642
190 HB2 TRP 24 1HB TRP 24 15.275 2.641 -0.904
191 HB3 TRP 24 2HB TRP 24 16.734 3.487 -0.399
192 HD1 TRP 24 HD1 TRP 24 14.157 0.954 0.862
193 HE1 TRP 24 HE1 TRP 24 15.116 -0.233 2.934
194 HE3 TRP 24 HE3 TRP 24 18.368 3.774 1.533
195 HZ2 TRP 24 HZ2 TRP 24 17.362 -0.003 4.630
196 HZ3 TRP 24 HZ3 TRP 24 19.868 3.226 3.403
197 HH2 TRP 24 HH2 TRP 24 19.375 1.377 4.919
198 H CYS 25 H CYS 25 12.510 3.752 -0.372
199 HA CYS 25 HA CYS 25 11.601 3.852 2.419
200 HB2 CYS 25 1HB CYS 25 10.339 3.932 -0.186
201 HB3 CYS 25 2HB CYS 25 9.446 3.013 1.058
202 H ARG 26 H ARG 26 10.889 2.423 3.682
203 HA ARG 26 HA ARG 26 10.641 -0.293 2.882
204 HB2 ARG 26 1HB ARG 26 13.283 0.605 3.367
205 HB3 ARG 26 2HB ARG 26 12.821 -0.395 4.739
206 HG2 ARG 26 1HG ARG 26 12.768 -1.191 1.837
207 HG3 ARG 26 2HG ARG 26 13.903 -1.745 3.068
208 HD2 ARG 26 1HD ARG 26 10.932 -2.251 3.007
209 HD3 ARG 26 2HD ARG 26 12.201 -3.429 2.676
210 HE ARG 26 HE ARG 26 12.445 -2.241 5.267
211 HH11 ARG 26 1HH1 ARG 26 10.827 -4.715 3.428
212 HH12 ARG 26 2HH1 ARG 26 10.526 -5.724 4.805
213 HH21 ARG 26 1HH2 ARG 26 12.053 -3.560 7.088
214 HH22 ARG 26 2HH2 ARG 26 11.222 -5.066 6.885
215 H LYS 27 H LYS 27 9.959 -1.657 4.584
216 HA LYS 27 HA LYS 27 8.400 -0.437 6.555
217 HB2 LYS 27 1HB LYS 27 8.974 -3.102 5.679
218 HB3 LYS 27 2HB LYS 27 9.046 -3.057 7.435
219 HG2 LYS 27 1HG LYS 27 6.731 -2.008 5.825
220 HG3 LYS 27 2HG LYS 27 6.814 -3.638 6.498
221 HD2 LYS 27 1HD LYS 27 7.418 -2.107 8.673
222 HD3 LYS 27 2HD LYS 27 6.273 -1.074 7.817
223 HE2 LYS 27 1HE LYS 27 4.620 -2.812 7.816
224 HE3 LYS 27 2HE LYS 27 5.772 -3.973 8.474
225 HZ1 LYS 27 1HZ LYS 27 4.537 -3.316 10.303
226 HZ2 LYS 27 2HZ LYS 27 4.478 -1.694 9.828
227 HZ3 LYS 27 3HZ LYS 27 5.919 -2.347 10.426
228 H GLU 28 H GLU 28 8.668 -0.068 8.729
229 HA GLU 28 HA GLU 28 10.936 -0.938 10.205
230 HB2 GLU 28 1HB GLU 28 12.132 1.108 10.470
231 HB3 GLU 28 2HB GLU 28 11.941 0.844 8.742
232 HG2 GLU 28 1HG GLU 28 11.078 2.868 8.564
233 HG3 GLU 28 2HG GLU 28 9.715 2.346 9.553
234 H ILE 29 H ILE 29 11.020 0.149 12.389
235 HA ILE 29 HA ILE 29 8.587 1.489 13.217
236 HB ILE 29 HB ILE 29 7.988 -0.912 13.318
237 HG12 ILE 29 1HG1 ILE 29 8.005 -0.476 16.157
238 HG13 ILE 29 2HG1 ILE 29 7.721 1.055 15.335
239 HG21 ILE 29 1HG2 ILE 29 10.441 -1.513 13.927
240 HG22 ILE 29 2HG2 ILE 29 9.902 -1.254 15.585
241 HG23 ILE 29 3HG2 ILE 29 9.120 -2.477 14.583
242 HD11 ILE 29 1HD1 ILE 29 5.810 0.170 14.216
243 HD12 ILE 29 2HD1 ILE 29 6.155 -1.456 14.803
244 HD13 ILE 29 3HD1 ILE 29 5.662 -0.197 15.935
245 HXT ILE 29 HXT ILE 29 8.755 1.670 15.813
Start of MODEL 2
1 H1 TYR 1 1H TYR 1 -0.245 6.507 -0.314
2 H2 TYR 1 2H TYR 1 0.098 4.969 -0.585
3 H3 TYR 1 3H TYR 1 1.167 5.954 0.194
4 HA TYR 1 HA TYR 1 0.479 6.164 -2.598
5 HB2 TYR 1 1HB TYR 1 2.509 7.488 -0.808
6 HB3 TYR 1 2HB TYR 1 2.712 7.432 -2.557
7 HD1 TYR 1 HD1 TYR 1 0.949 8.980 0.210
8 HD2 TYR 1 HD2 TYR 1 1.092 8.603 -4.024
9 HE1 TYR 1 HE1 TYR 1 -0.465 10.980 -0.009
10 HE2 TYR 1 HE2 TYR 1 -0.321 10.603 -4.256
11 HH TYR 1 HH TYR 1 -0.765 12.734 -2.688
12 H CYS 2 H CYS 2 3.079 5.065 -0.285
13 HA CYS 2 HA CYS 2 4.619 3.368 -0.444
14 HB2 CYS 2 1HB CYS 2 2.578 2.105 -2.304
15 HB3 CYS 2 2HB CYS 2 4.073 1.352 -1.844
16 H GLN 3 H GLN 3 6.293 2.562 -1.811
17 HA GLN 3 HA GLN 3 6.532 3.795 -4.464
18 HB2 GLN 3 1HB GLN 3 8.800 4.453 -4.088
19 HB3 GLN 3 2HB GLN 3 7.834 5.105 -2.772
20 HG2 GLN 3 1HG GLN 3 9.624 2.689 -2.680
21 HG3 GLN 3 2HG GLN 3 9.892 4.245 -1.897
22 HE21 GLN 3 1HE2 GLN 3 7.584 4.831 -0.721
23 HE22 GLN 3 2HE2 GLN 3 7.146 3.632 0.442
24 H LYS 4 H LYS 4 5.682 1.250 -4.157
25 HA LYS 4 HA LYS 4 6.073 -0.806 -5.081
26 HB2 LYS 4 1HB LYS 4 7.738 0.601 -6.518
27 HB3 LYS 4 2HB LYS 4 8.969 -0.135 -5.499
28 HG2 LYS 4 1HG LYS 4 8.754 -1.410 -7.514
29 HG3 LYS 4 2HG LYS 4 8.132 -2.365 -6.164
30 HD2 LYS 4 1HD LYS 4 5.945 -2.175 -6.865
31 HD3 LYS 4 2HD LYS 4 6.245 -0.671 -7.739
32 HE2 LYS 4 1HE LYS 4 6.132 -2.024 -9.541
33 HE3 LYS 4 2HE LYS 4 7.820 -2.343 -9.138
34 HZ1 LYS 4 1HZ LYS 4 5.780 -4.185 -9.320
35 HZ2 LYS 4 2HZ LYS 4 6.089 -4.041 -7.662
36 HZ3 LYS 4 3HZ LYS 4 7.341 -4.453 -8.723
37 H TRP 5 H TRP 5 7.815 0.531 -2.509
38 HA TRP 5 HA TRP 5 8.557 -0.374 -0.552
39 HB2 TRP 5 1HB TRP 5 6.597 -1.981 -0.982
40 HB3 TRP 5 2HB TRP 5 7.814 -3.111 -1.567
41 HD1 TRP 5 HD1 TRP 5 7.618 -0.889 1.626
42 HE1 TRP 5 HE1 TRP 5 8.186 -2.376 3.648
43 HE3 TRP 5 HE3 TRP 5 8.335 -5.329 -0.806
44 HZ2 TRP 5 HZ2 TRP 5 8.850 -5.074 4.146
45 HZ3 TRP 5 HZ3 TRP 5 8.935 -7.315 0.516
46 HH2 TRP 5 HH2 TRP 5 9.187 -7.188 2.941
47 H NLE 6 H NLE 6 10.507 -0.755 0.066
48 HA NLE 6 HA NLE 6 12.872 -1.307 -0.011
49 HB2 NLE 6 1HB NLE 6 12.277 -3.325 -2.212
50 HB3 NLE 6 2HB NLE 6 13.548 -3.363 -0.993
51 HG2 NLE 6 1HG NLE 6 11.217 -3.357 0.611
52 HG3 NLE 6 2HG NLE 6 10.663 -4.253 -0.800
53 HD2 NLE 6 1HD NLE 6 11.567 -5.877 0.789
54 HD3 NLE 6 2HD NLE 6 12.699 -5.806 -0.570
55 HE1 NLE 6 1HE NLE 6 12.989 -4.346 2.010
56 HE2 NLE 6 2HE NLE 6 13.837 -5.698 1.524
57 HE3 NLE 6 3HE NLE 6 14.062 -4.253 0.723
58 H TRP 7 H TRP 7 11.169 0.319 -2.315
59 HA TRP 7 HA TRP 7 13.526 0.810 -4.013
60 HB2 TRP 7 1HB TRP 7 11.837 0.128 -5.474
61 HB3 TRP 7 2HB TRP 7 10.579 0.960 -4.564
62 HD1 TRP 7 HD1 TRP 7 9.889 3.298 -5.408
63 HE1 TRP 7 HE1 TRP 7 10.759 4.910 -7.217
64 HE3 TRP 7 HE3 TRP 7 14.216 0.872 -6.642
65 HZ2 TRP 7 HZ2 TRP 7 12.987 5.124 -8.938
66 HZ3 TRP 7 HZ3 TRP 7 15.661 1.848 -8.379
67 HH2 TRP 7 HH2 TRP 7 15.057 3.929 -9.502
68 H THR 8 H THR 8 14.050 2.975 -4.558
69 HA THR 8 HA THR 8 13.688 4.816 -2.402
70 HB THR 8 HB THR 8 15.087 6.343 -3.682
71 HG1 THR 8 HG1 THR 8 14.937 6.227 -5.785
72 HG21 THR 8 1HG2 THR 8 15.914 4.031 -2.605
73 HG22 THR 8 2HG2 THR 8 17.013 5.172 -3.383
74 HG23 THR 8 3HG2 THR 8 16.425 3.767 -4.272
75 H CYS 9 H CYS 9 11.595 5.443 -2.223
76 HA CYS 9 HA CYS 9 9.561 6.247 -3.869
77 HB2 CYS 9 1HB CYS 9 9.166 7.969 -2.033
78 HB3 CYS 9 2HB CYS 9 9.424 6.316 -1.497
79 H ASP 10 H ASP 10 9.939 7.292 -5.898
80 HA ASP 10 HA ASP 10 10.158 10.020 -5.949
81 HB2 ASP 10 1HB ASP 10 12.731 8.801 -5.503
82 HB3 ASP 10 2HB ASP 10 12.726 9.643 -7.051
83 H SER 11 H SER 11 11.930 7.555 -7.825
84 HA SER 11 HA SER 11 10.776 8.585 -10.279
85 HB2 SER 11 1HB SER 11 13.152 7.156 -9.566
86 HB3 SER 11 2HB SER 11 12.273 6.223 -10.779
87 HG SER 11 HG SER 11 13.829 8.037 -11.414
88 H LYS 12 H LYS 12 9.152 7.147 -8.220
89 HA LYS 12 HA LYS 12 7.800 5.362 -10.080
90 HB2 LYS 12 1HB LYS 12 8.971 4.489 -7.451
91 HB3 LYS 12 2HB LYS 12 7.566 3.676 -8.131
92 HG2 LYS 12 1HG LYS 12 9.027 3.449 -10.255
93 HG3 LYS 12 2HG LYS 12 10.370 3.778 -9.158
94 HD2 LYS 12 1HD LYS 12 10.167 1.424 -9.258
95 HD3 LYS 12 2HD LYS 12 9.470 1.905 -7.709
96 HE2 LYS 12 1HE LYS 12 7.896 0.414 -8.499
97 HE3 LYS 12 2HE LYS 12 7.234 1.959 -9.032
98 HZ1 LYS 12 1HZ LYS 12 7.090 0.765 -10.948
99 HZ2 LYS 12 2HZ LYS 12 8.445 -0.188 -10.612
100 HZ3 LYS 12 3HZ LYS 12 8.643 1.402 -11.154
101 H ARG 13 H ARG 13 7.790 6.513 -6.705
102 HA ARG 13 HA ARG 13 5.411 7.952 -6.904
103 HB2 ARG 13 1HB ARG 13 4.113 6.220 -5.354
104 HB3 ARG 13 2HB ARG 13 3.995 6.175 -7.108
105 HG2 ARG 13 1HG ARG 13 6.240 4.619 -6.213
106 HG3 ARG 13 2HG ARG 13 4.758 4.106 -5.402
107 HD2 ARG 13 1HD ARG 13 4.214 4.563 -8.171
108 HD3 ARG 13 2HD ARG 13 5.615 3.503 -8.022
109 HE ARG 13 HE ARG 13 4.247 1.857 -7.184
110 HH11 ARG 13 1HH1 ARG 13 2.532 4.887 -7.242
111 HH12 ARG 13 2HH1 ARG 13 0.996 4.173 -6.872
112 HH21 ARG 13 1HH2 ARG 13 2.232 0.906 -6.694
113 HH22 ARG 13 2HH2 ARG 13 0.828 1.910 -6.559
114 H ALA 14 H ALA 14 4.487 8.479 -4.696
115 HA ALA 14 HA ALA 14 6.554 9.312 -2.988
116 HB1 ALA 14 1HB ALA 14 3.880 9.889 -3.268
117 HB2 ALA 14 2HB ALA 14 3.959 9.113 -1.685
118 HB3 ALA 14 3HB ALA 14 4.954 10.531 -2.023
119 H CYS 15 H CYS 15 5.606 8.772 -0.411
120 HA CYS 15 HA CYS 15 6.289 5.919 -0.158
121 HB2 CYS 15 1HB CYS 15 7.071 8.336 1.377
122 HB3 CYS 15 2HB CYS 15 6.794 6.868 2.309
123 H CYS 16 H CYS 16 5.173 4.618 1.237
124 HA CYS 16 HA CYS 16 2.361 5.287 1.797
125 HB2 CYS 16 1HB CYS 16 3.944 2.860 1.455
126 HB3 CYS 16 2HB CYS 16 3.058 2.758 2.933
127 H GLU 17 H GLU 17 1.520 4.409 3.962
128 HA GLU 17 HA GLU 17 2.572 6.111 6.048
129 HB2 GLU 17 1HB GLU 17 0.598 3.792 6.198
130 HB3 GLU 17 2HB GLU 17 0.922 4.949 7.491
131 HG2 GLU 17 1HG GLU 17 -0.287 5.597 4.766
132 HG3 GLU 17 2HG GLU 17 -1.149 5.497 6.295
133 H GLY 18 H GLY 18 4.032 5.695 7.570
134 HA2 GLY 18 1HA GLY 18 5.206 4.407 9.165
135 HA3 GLY 18 2HA GLY 18 4.812 2.957 8.252
136 H LEU 19 H LEU 19 5.688 3.661 5.727
137 HA LEU 19 HA LEU 19 8.361 2.985 5.772
138 HB2 LEU 19 1HB LEU 19 6.579 4.249 3.752
139 HB3 LEU 19 2HB LEU 19 8.311 4.215 3.437
140 HG LEU 19 HG LEU 19 8.319 2.005 2.980
141 HD11 LEU 19 1HD1 LEU 19 7.867 1.215 5.172
142 HD12 LEU 19 2HD1 LEU 19 6.763 0.374 4.084
143 HD13 LEU 19 3HD1 LEU 19 6.177 1.709 5.072
144 HD21 LEU 19 1HD2 LEU 19 5.570 1.531 2.547
145 HD22 LEU 19 2HD2 LEU 19 6.797 1.988 1.366
146 HD23 LEU 19 3HD2 LEU 19 5.865 3.234 2.196
147 H ARG 20 H ARG 20 10.148 4.389 4.751
148 HA ARG 20 HA ARG 20 10.048 7.134 5.787
149 HB2 ARG 20 1HB ARG 20 12.474 6.772 6.514
150 HB3 ARG 20 2HB ARG 20 11.221 6.053 7.514
151 HG2 ARG 20 1HG ARG 20 11.692 3.893 6.757
152 HG3 ARG 20 2HG ARG 20 12.595 4.486 5.362
153 HD2 ARG 20 1HD ARG 20 14.416 5.163 6.709
154 HD3 ARG 20 2HD ARG 20 13.480 4.984 8.192
155 HE ARG 20 HE ARG 20 14.872 2.919 6.761
156 HH11 ARG 20 1HH1 ARG 20 12.263 3.613 8.959
157 HH12 ARG 20 2HH1 ARG 20 12.251 2.026 9.653
158 HH21 ARG 20 1HH2 ARG 20 14.867 0.825 7.668
159 HH22 ARG 20 2HH2 ARG 20 13.733 0.441 8.920
160 H CYS 21 H CYS 21 10.082 8.248 3.951
161 HA CYS 21 HA CYS 21 11.535 7.420 1.634
162 HB2 CYS 21 1HB CYS 21 9.499 9.049 1.821
163 HB3 CYS 21 2HB CYS 21 10.685 10.284 2.171
164 H LYS 22 H LYS 22 12.983 9.581 0.737
165 HA LYS 22 HA LYS 22 15.109 10.393 0.725
166 HB2 LYS 22 1HB LYS 22 14.215 10.824 3.308
167 HB3 LYS 22 2HB LYS 22 15.737 9.976 3.547
168 HG2 LYS 22 1HG LYS 22 16.973 11.647 2.500
169 HG3 LYS 22 2HG LYS 22 15.552 12.333 1.710
170 HD2 LYS 22 1HD LYS 22 15.678 13.848 3.378
171 HD3 LYS 22 2HD LYS 22 14.847 12.597 4.307
172 HE2 LYS 22 1HE LYS 22 17.652 12.076 4.348
173 HE3 LYS 22 2HE LYS 22 17.380 13.759 4.793
174 HZ1 LYS 22 1HZ LYS 22 17.127 11.588 6.434
175 HZ2 LYS 22 2HZ LYS 22 15.529 12.007 6.074
176 HZ3 LYS 22 3HZ LYS 22 16.571 13.153 6.756
177 H LEU 23 H LEU 23 16.588 9.165 -0.220
178 HA LEU 23 HA LEU 23 18.288 7.653 -0.457
179 HB2 LEU 23 1HB LEU 23 18.194 7.992 2.254
180 HB3 LEU 23 2HB LEU 23 17.915 6.260 2.093
181 HG LEU 23 HG LEU 23 20.292 7.750 0.982
182 HD11 LEU 23 1HD1 LEU 23 20.152 5.882 3.341
183 HD12 LEU 23 2HD1 LEU 23 20.219 7.640 3.459
184 HD13 LEU 23 3HD1 LEU 23 21.566 6.753 2.751
185 HD21 LEU 23 1HD2 LEU 23 20.717 4.964 1.238
186 HD22 LEU 23 2HD2 LEU 23 20.674 5.936 -0.234
187 HD23 LEU 23 3HD2 LEU 23 19.194 5.196 0.377
188 H TRP 24 H TRP 24 15.596 6.263 1.421
189 HA TRP 24 HA TRP 24 14.636 4.647 -0.644
190 HB2 TRP 24 1HB TRP 24 15.641 2.610 -0.434
191 HB3 TRP 24 2HB TRP 24 16.989 3.606 0.109
192 HD1 TRP 24 HD1 TRP 24 14.295 1.227 1.448
193 HE1 TRP 24 HE1 TRP 24 14.982 0.458 3.805
194 HE3 TRP 24 HE3 TRP 24 18.350 4.263 2.143
195 HZ2 TRP 24 HZ2 TRP 24 16.980 1.056 5.708
196 HZ3 TRP 24 HZ3 TRP 24 19.594 4.101 4.260
197 HH2 TRP 24 HH2 TRP 24 18.922 2.532 6.005
198 H CYS 25 H CYS 25 12.726 3.655 -0.087
199 HA CYS 25 HA CYS 25 11.738 4.270 2.593
200 HB2 CYS 25 1HB CYS 25 10.553 4.023 -0.068
201 HB3 CYS 25 2HB CYS 25 9.619 3.202 1.177
202 H ARG 26 H ARG 26 10.782 2.738 3.942
203 HA ARG 26 HA ARG 26 10.440 0.017 3.294
204 HB2 ARG 26 1HB ARG 26 13.126 0.748 3.844
205 HB3 ARG 26 2HB ARG 26 12.541 -0.168 5.228
206 HG2 ARG 26 1HG ARG 26 12.423 -1.084 2.362
207 HG3 ARG 26 2HG ARG 26 13.625 -1.589 3.552
208 HD2 ARG 26 1HD ARG 26 10.653 -2.089 3.624
209 HD3 ARG 26 2HD ARG 26 11.933 -3.284 3.407
210 HE ARG 26 HE ARG 26 10.969 -2.249 5.875
211 HH11 ARG 26 1HH1 ARG 26 13.840 -3.392 4.270
212 HH12 ARG 26 2HH1 ARG 26 14.613 -3.901 5.735
213 HH21 ARG 26 1HH2 ARG 26 11.976 -2.915 7.809
214 HH22 ARG 26 2HH2 ARG 26 13.552 -3.630 7.748
215 H LYS 27 H LYS 27 9.613 -1.211 5.040
216 HA LYS 27 HA LYS 27 8.055 0.185 6.871
217 HB2 LYS 27 1HB LYS 27 8.569 -2.550 6.211
218 HB3 LYS 27 2HB LYS 27 8.585 -2.382 7.962
219 HG2 LYS 27 1HG LYS 27 6.374 -1.123 7.669
220 HG3 LYS 27 2HG LYS 27 6.358 -1.810 6.044
221 HD2 LYS 27 1HD LYS 27 6.358 -4.036 6.905
222 HD3 LYS 27 2HD LYS 27 6.661 -3.462 8.546
223 HE2 LYS 27 1HE LYS 27 4.480 -2.393 8.595
224 HE3 LYS 27 2HE LYS 27 4.182 -2.880 6.927
225 HZ1 LYS 27 1HZ LYS 27 3.785 -5.017 7.523
226 HZ2 LYS 27 2HZ LYS 27 3.296 -4.273 8.960
227 HZ3 LYS 27 3HZ LYS 27 4.829 -4.980 8.853
228 H GLU 28 H GLU 28 8.170 0.338 9.176
229 HA GLU 28 HA GLU 28 10.933 0.346 10.201
230 HB2 GLU 28 1HB GLU 28 10.067 2.614 9.952
231 HB3 GLU 28 2HB GLU 28 8.648 2.198 10.900
232 HG2 GLU 28 1HG GLU 28 9.914 1.982 12.882
233 HG3 GLU 28 2HG GLU 28 11.437 2.030 11.995
234 H ILE 29 H ILE 29 10.782 -1.749 11.045
235 HA ILE 29 HA ILE 29 10.393 -3.315 12.649
236 HB ILE 29 HB ILE 29 9.338 -0.977 14.246
237 HG12 ILE 29 1HG1 ILE 29 12.088 -2.234 14.303
238 HG13 ILE 29 2HG1 ILE 29 11.700 -0.766 13.413
239 HG21 ILE 29 1HG2 ILE 29 8.580 -2.808 15.419
240 HG22 ILE 29 2HG2 ILE 29 9.936 -3.820 14.923
241 HG23 ILE 29 3HG2 ILE 29 10.170 -2.566 16.141
242 HD11 ILE 29 1HD1 ILE 29 11.882 0.479 15.239
243 HD12 ILE 29 2HD1 ILE 29 10.850 -0.604 16.171
244 HD13 ILE 29 3HD1 ILE 29 12.574 -0.939 16.026
245 HXT ILE 29 HXT ILE 29 8.142 -2.865 14.461
Start of MODEL 3
1 H1 TYR 1 1H TYR 1 1.542 7.899 -2.530
2 H2 TYR 1 2H TYR 1 2.446 7.246 -1.384
3 H3 TYR 1 3H TYR 1 2.792 7.008 -2.979
4 HA TYR 1 HA TYR 1 0.856 5.734 -1.305
5 HB2 TYR 1 1HB TYR 1 -0.118 6.699 -3.524
6 HB3 TYR 1 2HB TYR 1 0.813 5.418 -4.291
7 HD1 TYR 1 HD1 TYR 1 -1.925 6.112 -1.908
8 HD2 TYR 1 HD2 TYR 1 0.080 3.155 -4.217
9 HE1 TYR 1 HE1 TYR 1 -3.746 4.525 -1.445
10 HE2 TYR 1 HE2 TYR 1 -1.734 1.561 -3.762
11 HH TYR 1 HH TYR 1 -4.067 1.559 -3.116
12 H CYS 2 H CYS 2 3.043 4.877 -0.488
13 HA CYS 2 HA CYS 2 4.747 3.300 -0.479
14 HB2 CYS 2 1HB CYS 2 2.829 1.826 -2.318
15 HB3 CYS 2 2HB CYS 2 4.295 1.141 -1.690
16 H GLN 3 H GLN 3 6.370 2.186 -1.831
17 HA GLN 3 HA GLN 3 6.790 3.332 -4.490
18 HB2 GLN 3 1HB GLN 3 9.098 3.862 -4.045
19 HB3 GLN 3 2HB GLN 3 8.092 4.683 -2.859
20 HG2 GLN 3 1HG GLN 3 9.651 2.148 -2.413
21 HG3 GLN 3 2HG GLN 3 10.081 3.755 -1.829
22 HE21 GLN 3 1HE2 GLN 3 7.782 4.735 -0.868
23 HE22 GLN 3 2HE2 GLN 3 7.194 3.765 0.436
24 H LYS 4 H LYS 4 5.817 0.836 -4.083
25 HA LYS 4 HA LYS 4 6.147 -1.278 -4.887
26 HB2 LYS 4 1HB LYS 4 8.044 0.106 -6.223
27 HB3 LYS 4 2HB LYS 4 9.065 -0.977 -5.288
28 HG2 LYS 4 1HG LYS 4 8.766 -2.247 -7.149
29 HG3 LYS 4 2HG LYS 4 7.381 -2.791 -6.200
30 HD2 LYS 4 1HD LYS 4 6.097 -0.901 -7.386
31 HD3 LYS 4 2HD LYS 4 7.446 -0.892 -8.523
32 HE2 LYS 4 1HE LYS 4 6.874 -2.888 -9.426
33 HE3 LYS 4 2HE LYS 4 6.282 -3.532 -7.894
34 HZ1 LYS 4 1HZ LYS 4 4.501 -3.207 -9.515
35 HZ2 LYS 4 2HZ LYS 4 4.847 -1.552 -9.580
36 HZ3 LYS 4 3HZ LYS 4 4.274 -2.241 -8.144
37 H TRP 5 H TRP 5 7.883 0.120 -2.350
38 HA TRP 5 HA TRP 5 8.541 -0.717 -0.332
39 HB2 TRP 5 1HB TRP 5 6.570 -2.320 -0.774
40 HB3 TRP 5 2HB TRP 5 7.800 -3.489 -1.247
41 HD1 TRP 5 HD1 TRP 5 7.770 -1.063 1.789
42 HE1 TRP 5 HE1 TRP 5 8.125 -2.464 3.918
43 HE3 TRP 5 HE3 TRP 5 7.873 -5.722 -0.313
44 HZ2 TRP 5 HZ2 TRP 5 8.411 -5.185 4.617
45 HZ3 TRP 5 HZ3 TRP 5 8.192 -7.672 1.155
46 HH2 TRP 5 HH2 TRP 5 8.456 -7.406 3.568
47 H NLE 6 H NLE 6 10.471 -1.083 0.346
48 HA NLE 6 HA NLE 6 12.841 -1.582 0.320
49 HB2 NLE 6 1HB NLE 6 13.338 -3.759 0.049
50 HB3 NLE 6 2HB NLE 6 11.593 -3.964 -0.095
51 HG2 NLE 6 1HG NLE 6 11.794 -4.720 -2.261
52 HG3 NLE 6 2HG NLE 6 12.725 -3.314 -2.761
53 HD2 NLE 6 1HD NLE 6 13.909 -5.795 -1.337
54 HD3 NLE 6 2HD NLE 6 14.008 -5.465 -3.070
55 HE1 NLE 6 1HE NLE 6 15.118 -3.742 -0.911
56 HE2 NLE 6 2HE NLE 6 15.976 -4.748 -1.932
57 HE3 NLE 6 3HE NLE 6 15.204 -3.405 -2.551
58 H TRP 7 H TRP 7 11.235 -0.124 -2.077
59 HA TRP 7 HA TRP 7 13.572 0.057 -3.861
60 HB2 TRP 7 1HB TRP 7 11.849 -0.754 -5.219
61 HB3 TRP 7 2HB TRP 7 10.628 0.233 -4.423
62 HD1 TRP 7 HD1 TRP 7 10.197 2.638 -5.374
63 HE1 TRP 7 HE1 TRP 7 11.052 3.908 -7.443
64 HE3 TRP 7 HE3 TRP 7 14.008 -0.488 -6.727
65 HZ2 TRP 7 HZ2 TRP 7 13.076 3.622 -9.390
66 HZ3 TRP 7 HZ3 TRP 7 15.356 0.082 -8.705
67 HH2 TRP 7 HH2 TRP 7 14.897 2.095 -10.008
68 H THR 8 H THR 8 14.295 2.083 -4.495
69 HA THR 8 HA THR 8 14.079 4.162 -2.631
70 HB THR 8 HB THR 8 15.176 5.581 -4.393
71 HG1 THR 8 HG1 THR 8 15.929 4.091 -6.219
72 HG21 THR 8 1HG2 THR 8 16.239 3.639 -2.836
73 HG22 THR 8 2HG2 THR 8 17.193 4.697 -3.877
74 HG23 THR 8 3HG2 THR 8 16.743 3.085 -4.432
75 H CYS 9 H CYS 9 12.176 5.111 -2.210
76 HA CYS 9 HA CYS 9 10.046 5.457 -3.970
77 HB2 CYS 9 1HB CYS 9 9.097 6.926 -2.332
78 HB3 CYS 9 2HB CYS 9 9.964 5.664 -1.466
79 H ASP 10 H ASP 10 9.250 8.057 -3.969
80 HA ASP 10 HA ASP 10 9.439 10.042 -5.065
81 HB2 ASP 10 1HB ASP 10 12.431 9.641 -4.960
82 HB3 ASP 10 2HB ASP 10 11.562 11.161 -5.146
83 H SER 11 H SER 11 9.244 10.585 -7.168
84 HA SER 11 HA SER 11 9.252 10.394 -9.435
85 HB2 SER 11 1HB SER 11 11.971 9.873 -8.606
86 HB3 SER 11 2HB SER 11 11.575 8.936 -10.047
87 HG SER 11 HG SER 11 11.903 10.735 -11.069
88 H LYS 12 H LYS 12 8.583 8.033 -7.492
89 HA LYS 12 HA LYS 12 8.190 6.070 -9.650
90 HB2 LYS 12 1HB LYS 12 9.983 5.396 -8.006
91 HB3 LYS 12 2HB LYS 12 8.735 5.351 -6.768
92 HG2 LYS 12 1HG LYS 12 9.062 3.130 -7.512
93 HG3 LYS 12 2HG LYS 12 7.524 3.674 -8.182
94 HD2 LYS 12 1HD LYS 12 8.247 3.439 -10.285
95 HD3 LYS 12 2HD LYS 12 9.775 4.251 -9.933
96 HE2 LYS 12 1HE LYS 12 10.873 2.315 -9.680
97 HE3 LYS 12 2HE LYS 12 9.560 1.585 -8.757
98 HZ1 LYS 12 1HZ LYS 12 9.647 1.851 -11.713
99 HZ2 LYS 12 2HZ LYS 12 8.397 1.140 -10.824
100 HZ3 LYS 12 3HZ LYS 12 9.931 0.427 -10.846
101 H ARG 13 H ARG 13 7.096 7.177 -6.459
102 HA ARG 13 HA ARG 13 4.443 7.496 -7.054
103 HB2 ARG 13 1HB ARG 13 3.551 5.338 -5.906
104 HB3 ARG 13 2HB ARG 13 4.012 5.285 -7.602
105 HG2 ARG 13 1HG ARG 13 5.893 4.033 -7.197
106 HG3 ARG 13 2HG ARG 13 6.026 4.577 -5.524
107 HD2 ARG 13 1HD ARG 13 5.316 2.337 -5.400
108 HD3 ARG 13 2HD ARG 13 3.875 3.307 -5.092
109 HE ARG 13 HE ARG 13 4.132 2.639 -7.850
110 HH11 ARG 13 1HH1 ARG 13 3.149 1.391 -4.751
111 HH12 ARG 13 2HH1 ARG 13 2.042 0.240 -5.421
112 HH21 ARG 13 1HH2 ARG 13 2.675 1.128 -8.743
113 HH22 ARG 13 2HH2 ARG 13 1.773 0.091 -7.691
114 H ALA 14 H ALA 14 6.516 8.496 -5.344
115 HA ALA 14 HA ALA 14 6.836 9.330 -3.248
116 HB1 ALA 14 1HB ALA 14 5.009 10.304 -2.330
117 HB2 ALA 14 2HB ALA 14 4.284 9.836 -3.868
118 HB3 ALA 14 3HB ALA 14 4.034 8.837 -2.437
119 H CYS 15 H CYS 15 5.745 8.759 -0.782
120 HA CYS 15 HA CYS 15 6.486 5.930 -0.420
121 HB2 CYS 15 1HB CYS 15 7.216 8.395 1.057
122 HB3 CYS 15 2HB CYS 15 6.903 6.963 2.034
123 H CYS 16 H CYS 16 5.336 4.674 1.056
124 HA CYS 16 HA CYS 16 2.501 5.377 1.462
125 HB2 CYS 16 1HB CYS 16 4.046 2.913 1.352
126 HB3 CYS 16 2HB CYS 16 3.162 2.934 2.823
127 H GLU 17 H GLU 17 1.733 4.379 3.703
128 HA GLU 17 HA GLU 17 2.594 6.393 5.580
129 HB2 GLU 17 1HB GLU 17 0.561 4.162 5.605
130 HB3 GLU 17 2HB GLU 17 1.009 4.944 7.140
131 HG2 GLU 17 1HG GLU 17 -0.856 6.163 6.291
132 HG3 GLU 17 2HG GLU 17 0.579 7.169 5.979
133 H GLY 18 H GLY 18 3.997 6.193 7.250
134 HA2 GLY 18 1HA GLY 18 5.136 5.083 8.990
135 HA3 GLY 18 2HA GLY 18 4.739 3.545 8.236
136 H LEU 19 H LEU 19 5.669 4.013 5.649
137 HA LEU 19 HA LEU 19 8.310 3.255 5.792
138 HB2 LEU 19 1HB LEU 19 6.598 4.425 3.668
139 HB3 LEU 19 2HB LEU 19 8.337 4.378 3.383
140 HG LEU 19 HG LEU 19 8.361 2.142 3.062
141 HD11 LEU 19 1HD1 LEU 19 6.716 0.594 4.200
142 HD12 LEU 19 2HD1 LEU 19 6.183 1.994 5.130
143 HD13 LEU 19 3HD1 LEU 19 7.852 1.435 5.254
144 HD21 LEU 19 1HD2 LEU 19 5.674 1.589 2.531
145 HD22 LEU 19 2HD2 LEU 19 6.905 2.121 1.385
146 HD23 LEU 19 3HD2 LEU 19 5.878 3.309 2.190
147 H ARG 20 H ARG 20 10.205 4.483 4.822
148 HA ARG 20 HA ARG 20 10.190 7.299 5.668
149 HB2 ARG 20 1HB ARG 20 12.515 6.953 6.536
150 HB3 ARG 20 2HB ARG 20 11.265 6.126 7.456
151 HG2 ARG 20 1HG ARG 20 12.299 4.428 5.371
152 HG3 ARG 20 2HG ARG 20 13.594 5.028 6.408
153 HD2 ARG 20 1HD ARG 20 11.070 3.882 7.557
154 HD3 ARG 20 2HD ARG 20 12.413 2.845 7.075
155 HE ARG 20 HE ARG 20 12.284 4.556 9.380
156 HH11 ARG 20 1HH1 ARG 20 14.389 2.937 7.130
157 HH12 ARG 20 2HH1 ARG 20 15.735 2.893 8.221
158 HH21 ARG 20 1HH2 ARG 20 14.048 4.506 10.825
159 HH22 ARG 20 2HH2 ARG 20 15.540 3.786 10.322
160 H CYS 21 H CYS 21 10.364 8.334 3.773
161 HA CYS 21 HA CYS 21 11.635 7.359 1.473
162 HB2 CYS 21 1HB CYS 21 10.189 9.686 2.223
163 HB3 CYS 21 2HB CYS 21 11.691 10.219 1.473
164 H LYS 22 H LYS 22 13.273 9.391 0.556
165 HA LYS 22 HA LYS 22 15.414 10.172 0.573
166 HB2 LYS 22 1HB LYS 22 15.578 9.592 3.520
167 HB3 LYS 22 2HB LYS 22 16.430 10.825 2.598
168 HG2 LYS 22 1HG LYS 22 13.958 11.673 2.162
169 HG3 LYS 22 2HG LYS 22 13.673 10.827 3.685
170 HD2 LYS 22 1HD LYS 22 15.913 12.184 4.314
171 HD3 LYS 22 2HD LYS 22 15.207 13.290 3.134
172 HE2 LYS 22 1HE LYS 22 13.169 13.424 4.397
173 HE3 LYS 22 2HE LYS 22 13.721 12.169 5.504
174 HZ1 LYS 22 1HZ LYS 22 15.504 13.657 6.216
175 HZ2 LYS 22 2HZ LYS 22 13.981 14.341 6.490
176 HZ3 LYS 22 3HZ LYS 22 14.923 14.865 5.186
177 H LEU 23 H LEU 23 16.704 8.823 -0.497
178 HA LEU 23 HA LEU 23 18.337 7.253 -0.818
179 HB2 LEU 23 1HB LEU 23 18.544 7.693 1.830
180 HB3 LEU 23 2HB LEU 23 18.052 6.000 1.837
181 HG LEU 23 HG LEU 23 20.514 7.176 0.556
182 HD11 LEU 23 1HD1 LEU 23 21.687 6.391 2.306
183 HD12 LEU 23 2HD1 LEU 23 20.668 4.962 2.486
184 HD13 LEU 23 3HD1 LEU 23 20.140 6.512 3.145
185 HD21 LEU 23 1HD2 LEU 23 19.113 4.614 0.132
186 HD22 LEU 23 2HD2 LEU 23 20.860 4.519 0.360
187 HD23 LEU 23 3HD2 LEU 23 20.191 5.512 -0.938
188 H TRP 24 H TRP 24 15.725 6.022 1.266
189 HA TRP 24 HA TRP 24 14.612 4.362 -0.698
190 HB2 TRP 24 1HB TRP 24 15.524 2.289 -0.401
191 HB3 TRP 24 2HB TRP 24 16.937 3.253 0.027
192 HD1 TRP 24 HD1 TRP 24 14.228 1.050 1.597
193 HE1 TRP 24 HE1 TRP 24 14.972 0.403 3.975
194 HE3 TRP 24 HE3 TRP 24 18.375 4.014 1.985
195 HZ2 TRP 24 HZ2 TRP 24 17.042 1.062 5.777
196 HZ3 TRP 24 HZ3 TRP 24 19.681 3.947 4.068
197 HH2 TRP 24 HH2 TRP 24 19.027 2.502 5.925
198 H CYS 25 H CYS 25 12.708 3.390 -0.011
199 HA CYS 25 HA CYS 25 11.814 4.233 2.645
200 HB2 CYS 25 1HB CYS 25 10.529 3.799 0.040
201 HB3 CYS 25 2HB CYS 25 9.610 3.166 1.403
202 H ARG 26 H ARG 26 10.913 2.827 4.139
203 HA ARG 26 HA ARG 26 10.568 0.040 3.624
204 HB2 ARG 26 1HB ARG 26 13.181 0.891 4.336
205 HB3 ARG 26 2HB ARG 26 12.504 0.059 5.729
206 HG2 ARG 26 1HG ARG 26 12.740 -1.040 2.935
207 HG3 ARG 26 2HG ARG 26 13.724 -1.487 4.330
208 HD2 ARG 26 1HD ARG 26 10.751 -1.899 4.041
209 HD3 ARG 26 2HD ARG 26 11.988 -3.147 3.914
210 HE ARG 26 HE ARG 26 10.938 -1.981 6.327
211 HH11 ARG 26 1HH1 ARG 26 13.611 -3.679 4.877
212 HH12 ARG 26 2HH1 ARG 26 14.169 -4.346 6.376
213 HH21 ARG 26 1HH2 ARG 26 11.662 -2.855 8.306
214 HH22 ARG 26 2HH2 ARG 26 13.059 -3.879 8.326
215 H LYS 27 H LYS 27 9.588 -1.062 5.358
216 HA LYS 27 HA LYS 27 7.864 0.412 6.950
217 HB2 LYS 27 1HB LYS 27 8.474 -2.340 6.532
218 HB3 LYS 27 2HB LYS 27 8.394 -2.060 8.267
219 HG2 LYS 27 1HG LYS 27 6.172 -0.857 7.735
220 HG3 LYS 27 2HG LYS 27 6.261 -1.723 6.201
221 HD2 LYS 27 1HD LYS 27 5.523 -3.584 7.168
222 HD3 LYS 27 2HD LYS 27 6.830 -3.523 8.353
223 HE2 LYS 27 1HE LYS 27 4.978 -3.421 9.715
224 HE3 LYS 27 2HE LYS 27 5.332 -1.710 9.483
225 HZ1 LYS 27 1HZ LYS 27 3.683 -1.760 7.630
226 HZ2 LYS 27 2HZ LYS 27 3.020 -2.003 9.167
227 HZ3 LYS 27 3HZ LYS 27 3.244 -3.318 8.126
228 H GLU 28 H GLU 28 7.843 1.034 9.099
229 HA GLU 28 HA GLU 28 10.173 2.005 10.221
230 HB2 GLU 28 1HB GLU 28 7.410 1.819 10.969
231 HB3 GLU 28 2HB GLU 28 8.412 1.440 12.364
232 HG2 GLU 28 1HG GLU 28 9.130 3.826 10.760
233 HG3 GLU 28 2HG GLU 28 7.690 3.913 11.771
234 H ILE 29 H ILE 29 8.620 -1.118 10.670
235 HA ILE 29 HA ILE 29 10.899 -1.951 12.342
236 HB ILE 29 HB ILE 29 8.133 -3.160 12.283
237 HG12 ILE 29 1HG1 ILE 29 8.717 -2.161 14.836
238 HG13 ILE 29 2HG1 ILE 29 9.227 -0.898 13.723
239 HG21 ILE 29 1HG2 ILE 29 9.449 -4.920 12.925
240 HG22 ILE 29 2HG2 ILE 29 10.673 -3.882 13.654
241 HG23 ILE 29 3HG2 ILE 29 9.144 -4.163 14.489
242 HD11 ILE 29 1HD1 ILE 29 7.131 -0.277 13.403
243 HD12 ILE 29 2HD1 ILE 29 6.666 -1.914 12.943
244 HD13 ILE 29 3HD1 ILE 29 6.644 -1.435 14.640
245 HXT ILE 29 HXT ILE 29 11.409 -4.155 12.004
Start of MODEL 4
1 H1 TYR 1 1H TYR 1 -0.184 3.607 -3.034
2 H2 TYR 1 2H TYR 1 -0.637 5.111 -3.333
3 H3 TYR 1 3H TYR 1 0.892 4.599 -3.677
4 HA TYR 1 HA TYR 1 0.446 6.173 -1.803
5 HB2 TYR 1 1HB TYR 1 -0.754 3.673 -0.926
6 HB3 TYR 1 2HB TYR 1 0.495 4.225 0.187
7 HD1 TYR 1 HD1 TYR 1 -2.810 4.904 -1.204
8 HD2 TYR 1 HD2 TYR 1 0.245 6.348 1.380
9 HE1 TYR 1 HE1 TYR 1 -4.404 6.500 -0.220
10 HE2 TYR 1 HE2 TYR 1 -1.338 7.947 2.371
11 HH TYR 1 HH TYR 1 -4.373 8.622 0.989
12 H CYS 2 H CYS 2 1.745 2.865 -1.464
13 HA CYS 2 HA CYS 2 4.220 3.720 -0.401
14 HB2 CYS 2 1HB CYS 2 3.691 1.104 -1.817
15 HB3 CYS 2 2HB CYS 2 4.917 1.432 -0.594
16 H GLN 3 H GLN 3 6.219 2.479 -1.718
17 HA GLN 3 HA GLN 3 6.220 3.638 -4.420
18 HB2 GLN 3 1HB GLN 3 8.282 4.692 -4.119
19 HB3 GLN 3 2HB GLN 3 7.436 5.018 -2.611
20 HG2 GLN 3 1HG GLN 3 9.735 3.196 -3.140
21 HG3 GLN 3 2HG GLN 3 9.532 4.416 -1.884
22 HE21 GLN 3 1HE2 GLN 3 7.228 3.794 -0.703
23 HE22 GLN 3 2HE2 GLN 3 7.287 2.213 -0.006
24 H LYS 4 H LYS 4 5.651 1.097 -4.325
25 HA LYS 4 HA LYS 4 6.278 -0.878 -5.290
26 HB2 LYS 4 1HB LYS 4 7.973 0.720 -6.487
27 HB3 LYS 4 2HB LYS 4 9.146 -0.017 -5.404
28 HG2 LYS 4 1HG LYS 4 9.332 -1.342 -7.269
29 HG3 LYS 4 2HG LYS 4 8.168 -2.254 -6.304
30 HD2 LYS 4 1HD LYS 4 6.339 -1.420 -7.598
31 HD3 LYS 4 2HD LYS 4 7.385 -0.273 -8.439
32 HE2 LYS 4 1HE LYS 4 6.871 -2.212 -9.838
33 HE3 LYS 4 2HE LYS 4 8.593 -2.120 -9.474
34 HZ1 LYS 4 1HZ LYS 4 7.007 -4.300 -9.132
35 HZ2 LYS 4 2HZ LYS 4 7.136 -3.679 -7.564
36 HZ3 LYS 4 3HZ LYS 4 8.532 -4.070 -8.437
37 H TRP 5 H TRP 5 7.619 0.444 -2.497
38 HA TRP 5 HA TRP 5 8.283 -0.482 -0.528
39 HB2 TRP 5 1HB TRP 5 6.451 -2.146 -1.099
40 HB3 TRP 5 2HB TRP 5 7.717 -3.190 -1.737
41 HD1 TRP 5 HD1 TRP 5 7.444 -1.211 1.605
42 HE1 TRP 5 HE1 TRP 5 7.987 -2.838 3.524
43 HE3 TRP 5 HE3 TRP 5 8.194 -5.468 -1.127
44 HZ2 TRP 5 HZ2 TRP 5 8.645 -5.566 3.837
45 HZ3 TRP 5 HZ3 TRP 5 8.777 -7.543 0.060
46 HH2 TRP 5 HH2 TRP 5 8.998 -7.587 2.491
47 H NLE 6 H NLE 6 10.191 -0.793 0.244
48 HA NLE 6 HA NLE 6 12.588 -1.138 0.327
49 HB2 NLE 6 1HB NLE 6 11.957 -3.497 0.123
50 HB3 NLE 6 2HB NLE 6 11.865 -3.389 -1.633
51 HG2 NLE 6 1HG NLE 6 14.024 -4.443 -0.708
52 HG3 NLE 6 2HG NLE 6 14.302 -3.128 -1.843
53 HD2 NLE 6 1HD NLE 6 15.079 -1.630 -0.159
54 HD3 NLE 6 2HD NLE 6 14.175 -2.427 1.135
55 HE1 NLE 6 1HE NLE 6 16.528 -3.563 -0.290
56 HE2 NLE 6 2HE NLE 6 16.501 -2.934 1.255
57 HE3 NLE 6 3HE NLE 6 15.670 -4.340 0.922
58 H TRP 7 H TRP 7 11.026 0.425 -2.031
59 HA TRP 7 HA TRP 7 13.433 0.887 -3.665
60 HB2 TRP 7 1HB TRP 7 11.820 0.145 -5.183
61 HB3 TRP 7 2HB TRP 7 10.511 0.976 -4.343
62 HD1 TRP 7 HD1 TRP 7 9.874 3.347 -5.184
63 HE1 TRP 7 HE1 TRP 7 10.772 4.910 -7.021
64 HE3 TRP 7 HE3 TRP 7 14.155 0.820 -6.381
65 HZ2 TRP 7 HZ2 TRP 7 12.999 5.054 -8.749
66 HZ3 TRP 7 HZ3 TRP 7 15.613 1.737 -8.138
67 HH2 TRP 7 HH2 TRP 7 15.046 3.809 -9.297
68 H THR 8 H THR 8 13.851 3.079 -4.334
69 HA THR 8 HA THR 8 13.452 4.951 -2.206
70 HB THR 8 HB THR 8 14.802 6.490 -3.519
71 HG1 THR 8 HG1 THR 8 15.560 5.616 -5.630
72 HG21 THR 8 1HG2 THR 8 15.713 4.247 -2.402
73 HG22 THR 8 2HG2 THR 8 16.771 5.372 -3.254
74 HG23 THR 8 3HG2 THR 8 16.184 3.923 -4.070
75 H CYS 9 H CYS 9 11.418 5.593 -1.994
76 HA CYS 9 HA CYS 9 9.330 6.258 -3.618
77 HB2 CYS 9 1HB CYS 9 8.988 8.111 -1.810
78 HB3 CYS 9 2HB CYS 9 9.084 6.446 -1.284
79 H ASP 10 H ASP 10 9.845 7.236 -5.764
80 HA ASP 10 HA ASP 10 9.864 9.981 -5.856
81 HB2 ASP 10 1HB ASP 10 12.484 8.924 -5.246
82 HB3 ASP 10 2HB ASP 10 12.505 9.786 -6.781
83 H SER 11 H SER 11 12.138 7.930 -7.646
84 HA SER 11 HA SER 11 11.213 8.778 -10.168
85 HB2 SER 11 1HB SER 11 13.284 7.083 -9.152
86 HB3 SER 11 2HB SER 11 12.446 6.234 -10.451
87 HG SER 11 HG SER 11 14.051 8.469 -10.548
88 H LYS 12 H LYS 12 9.898 6.591 -7.960
89 HA LYS 12 HA LYS 12 8.296 5.298 -10.069
90 HB2 LYS 12 1HB LYS 12 9.735 3.831 -8.571
91 HB3 LYS 12 2HB LYS 12 8.663 4.284 -7.251
92 HG2 LYS 12 1HG LYS 12 7.352 2.597 -7.821
93 HG3 LYS 12 2HG LYS 12 6.987 3.444 -9.326
94 HD2 LYS 12 1HD LYS 12 7.763 1.189 -9.792
95 HD3 LYS 12 2HD LYS 12 8.933 2.373 -10.383
96 HE2 LYS 12 1HE LYS 12 9.540 1.672 -7.669
97 HE3 LYS 12 2HE LYS 12 9.384 0.209 -8.640
98 HZ1 LYS 12 1HZ LYS 12 11.052 0.947 -10.108
99 HZ2 LYS 12 2HZ LYS 12 11.658 1.232 -8.557
100 HZ3 LYS 12 3HZ LYS 12 11.049 2.514 -9.473
101 H ARG 13 H ARG 13 8.145 6.649 -6.788
102 HA ARG 13 HA ARG 13 5.889 8.178 -7.126
103 HB2 ARG 13 1HB ARG 13 4.220 6.655 -5.859
104 HB3 ARG 13 2HB ARG 13 4.460 6.399 -7.583
105 HG2 ARG 13 1HG ARG 13 6.356 4.783 -6.314
106 HG3 ARG 13 2HG ARG 13 4.863 4.588 -5.394
107 HD2 ARG 13 1HD ARG 13 4.587 4.549 -8.329
108 HD3 ARG 13 2HD ARG 13 5.455 3.187 -7.620
109 HE ARG 13 HE ARG 13 3.177 3.461 -6.114
110 HH11 ARG 13 1HH1 ARG 13 3.914 2.922 -9.473
111 HH12 ARG 13 2HH1 ARG 13 2.469 2.017 -9.780
112 HH21 ARG 13 1HH2 ARG 13 1.270 2.271 -6.506
113 HH22 ARG 13 2HH2 ARG 13 0.965 1.648 -8.091
114 H ALA 14 H ALA 14 4.595 8.261 -4.828
115 HA ALA 14 HA ALA 14 6.602 9.086 -2.958
116 HB1 ALA 14 1HB ALA 14 3.985 9.792 -3.445
117 HB2 ALA 14 2HB ALA 14 3.897 8.946 -1.899
118 HB3 ALA 14 3HB ALA 14 4.971 10.332 -2.086
119 H CYS 15 H CYS 15 6.068 8.599 -0.588
120 HA CYS 15 HA CYS 15 6.248 5.712 -0.370
121 HB2 CYS 15 1HB CYS 15 7.812 7.824 0.726
122 HB3 CYS 15 2HB CYS 15 6.925 7.103 2.123
123 H CYS 16 H CYS 16 5.558 4.523 1.615
124 HA CYS 16 HA CYS 16 2.698 4.981 1.539
125 HB2 CYS 16 1HB CYS 16 4.391 2.740 1.960
126 HB3 CYS 16 2HB CYS 16 3.425 2.950 3.418
127 H GLU 17 H GLU 17 1.601 4.492 3.869
128 HA GLU 17 HA GLU 17 2.344 6.778 5.537
129 HB2 GLU 17 1HB GLU 17 -0.014 6.148 5.089
130 HB3 GLU 17 2HB GLU 17 0.234 4.617 5.929
131 HG2 GLU 17 1HG GLU 17 -0.883 6.161 7.410
132 HG3 GLU 17 2HG GLU 17 0.737 5.868 8.032
133 H GLY 18 H GLY 18 4.004 6.625 6.894
134 HA2 GLY 18 1HA GLY 18 4.820 5.866 9.032
135 HA3 GLY 18 2HA GLY 18 4.321 4.238 8.595
136 H LEU 19 H LEU 19 5.454 4.567 5.861
137 HA LEU 19 HA LEU 19 7.928 3.371 6.260
138 HB2 LEU 19 1HB LEU 19 6.391 4.371 4.028
139 HB3 LEU 19 2HB LEU 19 8.113 4.657 3.794
140 HG LEU 19 HG LEU 19 8.587 2.313 3.941
141 HD11 LEU 19 1HD1 LEU 19 6.823 0.651 4.287
142 HD12 LEU 19 2HD1 LEU 19 5.660 1.946 4.564
143 HD13 LEU 19 3HD1 LEU 19 7.002 1.712 5.684
144 HD21 LEU 19 1HD2 LEU 19 7.177 3.478 1.904
145 HD22 LEU 19 2HD2 LEU 19 6.230 2.029 2.242
146 HD23 LEU 19 3HD2 LEU 19 7.944 1.892 1.843
147 H ARG 20 H ARG 20 9.967 4.406 5.062
148 HA ARG 20 HA ARG 20 10.348 7.132 6.100
149 HB2 ARG 20 1HB ARG 20 12.744 6.358 6.620
150 HB3 ARG 20 2HB ARG 20 11.464 5.860 7.718
151 HG2 ARG 20 1HG ARG 20 11.420 3.662 6.786
152 HG3 ARG 20 2HG ARG 20 12.525 4.138 5.493
153 HD2 ARG 20 1HD ARG 20 14.340 4.338 6.973
154 HD3 ARG 20 2HD ARG 20 13.290 4.339 8.388
155 HE ARG 20 HE ARG 20 12.952 1.906 7.059
156 HH11 ARG 20 1HH1 ARG 20 15.413 3.637 8.813
157 HH12 ARG 20 2HH1 ARG 20 16.202 2.201 9.379
158 HH21 ARG 20 1HH2 ARG 20 13.981 0.010 7.798
159 HH22 ARG 20 2HH2 ARG 20 15.387 0.140 8.801
160 H CYS 21 H CYS 21 10.307 8.187 4.245
161 HA CYS 21 HA CYS 21 11.611 7.278 1.841
162 HB2 CYS 21 1HB CYS 21 9.560 8.773 2.073
163 HB3 CYS 21 2HB CYS 21 10.651 10.090 2.491
164 H LYS 22 H LYS 22 13.091 9.315 0.837
165 HA LYS 22 HA LYS 22 15.229 10.089 0.734
166 HB2 LYS 22 1HB LYS 22 14.439 10.805 3.196
167 HB3 LYS 22 2HB LYS 22 15.731 9.697 3.638
168 HG2 LYS 22 1HG LYS 22 17.355 11.076 2.898
169 HG3 LYS 22 2HG LYS 22 16.382 11.683 1.556
170 HD2 LYS 22 1HD LYS 22 15.366 13.298 2.849
171 HD3 LYS 22 2HD LYS 22 15.615 12.403 4.349
172 HE2 LYS 22 1HE LYS 22 18.177 12.875 3.544
173 HE3 LYS 22 2HE LYS 22 17.353 14.330 2.985
174 HZ1 LYS 22 1HZ LYS 22 18.305 14.109 5.421
175 HZ2 LYS 22 2HZ LYS 22 16.784 13.428 5.702
176 HZ3 LYS 22 3HZ LYS 22 16.906 14.999 5.088
177 H LEU 23 H LEU 23 16.727 8.854 -0.169
178 HA LEU 23 HA LEU 23 18.395 7.308 -0.393
179 HB2 LEU 23 1HB LEU 23 18.339 7.688 2.296
180 HB3 LEU 23 2HB LEU 23 17.961 5.970 2.187
181 HG LEU 23 HG LEU 23 20.380 7.193 0.876
182 HD11 LEU 23 1HD1 LEU 23 20.072 7.310 3.523
183 HD12 LEU 23 2HD1 LEU 23 21.626 6.983 2.756
184 HD13 LEU 23 3HD1 LEU 23 20.655 5.652 3.386
185 HD21 LEU 23 1HD2 LEU 23 20.946 5.099 0.285
186 HD22 LEU 23 2HD2 LEU 23 19.224 4.773 0.481
187 HD23 LEU 23 3HD2 LEU 23 20.348 4.400 1.790
188 H TRP 24 H TRP 24 15.585 6.065 1.395
189 HA TRP 24 HA TRP 24 14.695 4.396 -0.659
190 HB2 TRP 24 1HB TRP 24 15.614 2.340 -0.311
191 HB3 TRP 24 2HB TRP 24 16.954 3.304 0.302
192 HD1 TRP 24 HD1 TRP 24 14.005 1.167 1.547
193 HE1 TRP 24 HE1 TRP 24 14.511 0.418 3.957
194 HE3 TRP 24 HE3 TRP 24 18.281 3.851 2.353
195 HZ2 TRP 24 HZ2 TRP 24 16.461 0.901 5.939
196 HZ3 TRP 24 HZ3 TRP 24 19.405 3.653 4.533
197 HH2 TRP 24 HH2 TRP 24 18.512 2.205 6.288
198 H CYS 25 H CYS 25 12.766 3.301 -0.165
199 HA CYS 25 HA CYS 25 11.735 4.088 2.510
200 HB2 CYS 25 1HB CYS 25 10.972 4.912 0.010
201 HB3 CYS 25 2HB CYS 25 9.826 3.635 0.444
202 H ARG 26 H ARG 26 10.660 2.812 3.795
203 HA ARG 26 HA ARG 26 9.936 0.181 3.208
204 HB2 ARG 26 1HB ARG 26 12.728 0.487 3.326
205 HB3 ARG 26 2HB ARG 26 12.268 -0.272 4.842
206 HG2 ARG 26 1HG ARG 26 11.211 -1.339 2.263
207 HG3 ARG 26 2HG ARG 26 12.847 -1.740 2.787
208 HD2 ARG 26 1HD ARG 26 10.559 -2.063 4.680
209 HD3 ARG 26 2HD ARG 26 10.847 -3.282 3.439
210 HE ARG 26 HE ARG 26 12.320 -2.924 5.833
211 HH11 ARG 26 1HH1 ARG 26 12.676 -3.786 2.478
212 HH12 ARG 26 2HH1 ARG 26 14.085 -4.760 2.743
213 HH21 ARG 26 1HH2 ARG 26 14.175 -4.203 6.194
214 HH22 ARG 26 2HH2 ARG 26 14.936 -4.997 4.857
215 H LYS 27 H LYS 27 9.061 -0.886 4.989
216 HA LYS 27 HA LYS 27 7.997 0.629 7.025
217 HB2 LYS 27 1HB LYS 27 8.218 -2.205 6.405
218 HB3 LYS 27 2HB LYS 27 8.214 -1.909 8.138
219 HG2 LYS 27 1HG LYS 27 6.160 -0.403 7.601
220 HG3 LYS 27 2HG LYS 27 6.090 -1.359 6.118
221 HD2 LYS 27 1HD LYS 27 6.178 -3.410 7.625
222 HD3 LYS 27 2HD LYS 27 5.860 -2.307 8.965
223 HE2 LYS 27 1HE LYS 27 3.700 -2.694 8.504
224 HE3 LYS 27 2HE LYS 27 3.945 -1.567 7.171
225 HZ1 LYS 27 1HZ LYS 27 3.323 -3.221 5.851
226 HZ2 LYS 27 2HZ LYS 27 3.407 -4.366 7.093
227 HZ3 LYS 27 3HZ LYS 27 4.794 -3.981 6.202
228 H GLU 28 H GLU 28 8.424 0.765 9.287
229 HA GLU 28 HA GLU 28 11.273 0.881 9.867
230 HB2 GLU 28 1HB GLU 28 9.630 2.751 10.400
231 HB3 GLU 28 2HB GLU 28 9.017 1.717 11.683
232 HG2 GLU 28 1HG GLU 28 11.654 1.651 12.231
233 HG3 GLU 28 2HG GLU 28 11.511 3.261 11.525
234 H ILE 29 H ILE 29 11.127 -1.605 9.731
235 HA ILE 29 HA ILE 29 10.606 -2.640 12.441
236 HB ILE 29 HB ILE 29 10.069 -4.808 11.498
237 HG12 ILE 29 1HG1 ILE 29 9.693 -4.131 8.741
238 HG13 ILE 29 2HG1 ILE 29 11.353 -3.760 9.191
239 HG21 ILE 29 1HG2 ILE 29 8.381 -2.830 11.668
240 HG22 ILE 29 2HG2 ILE 29 8.388 -2.923 9.907
241 HG23 ILE 29 3HG2 ILE 29 7.906 -4.324 10.864
242 HD11 ILE 29 1HD1 ILE 29 11.538 -6.073 10.101
243 HD12 ILE 29 2HD1 ILE 29 9.947 -6.406 9.415
244 HD13 ILE 29 3HD1 ILE 29 11.292 -5.981 8.356
245 HXT ILE 29 HXT ILE 29 12.381 -3.476 9.655
Start of MODEL 5
1 H1 TYR 1 1H TYR 1 1.328 6.770 -2.177
2 H2 TYR 1 2H TYR 1 0.947 6.077 -3.567
3 H3 TYR 1 3H TYR 1 -0.220 6.685 -2.572
4 HA TYR 1 HA TYR 1 0.177 4.963 -1.019
5 HB2 TYR 1 1HB TYR 1 -0.543 4.178 -3.849
6 HB3 TYR 1 2HB TYR 1 -0.849 3.178 -2.433
7 HD1 TYR 1 HD1 TYR 1 -2.367 5.322 -4.648
8 HD2 TYR 1 HD2 TYR 1 -2.068 4.632 -0.460
9 HE1 TYR 1 HE1 TYR 1 -4.518 6.469 -4.311
10 HE2 TYR 1 HE2 TYR 1 -4.217 5.774 -0.112
11 HH TYR 1 HH TYR 1 -6.082 6.553 -1.162
12 H CYS 2 H CYS 2 2.385 4.718 -0.466
13 HA CYS 2 HA CYS 2 4.351 3.587 -0.313
14 HB2 CYS 2 1HB CYS 2 3.066 1.546 -2.137
15 HB3 CYS 2 2HB CYS 2 4.409 1.283 -1.028
16 H GLN 3 H GLN 3 6.115 2.467 -1.770
17 HA GLN 3 HA GLN 3 6.195 3.783 -4.393
18 HB2 GLN 3 1HB GLN 3 8.431 4.566 -4.047
19 HB3 GLN 3 2HB GLN 3 7.454 5.121 -2.693
20 HG2 GLN 3 1HG GLN 3 9.414 2.842 -2.715
21 HG3 GLN 3 2HG GLN 3 9.557 4.375 -1.856
22 HE21 GLN 3 1HE2 GLN 3 9.187 1.307 -1.255
23 HE22 GLN 3 2HE2 GLN 3 8.095 1.334 0.084
24 H LYS 4 H LYS 4 5.510 1.202 -4.230
25 HA LYS 4 HA LYS 4 6.024 -0.768 -5.276
26 HB2 LYS 4 1HB LYS 4 7.902 0.933 -6.331
27 HB3 LYS 4 2HB LYS 4 8.905 -0.312 -5.596
28 HG2 LYS 4 1HG LYS 4 6.667 -1.363 -7.154
29 HG3 LYS 4 2HG LYS 4 7.827 -0.425 -8.095
30 HD2 LYS 4 1HD LYS 4 9.431 -1.988 -7.897
31 HD3 LYS 4 2HD LYS 4 9.046 -2.307 -6.204
32 HE2 LYS 4 1HE LYS 4 8.522 -4.306 -7.290
33 HE3 LYS 4 2HE LYS 4 6.964 -3.500 -7.109
34 HZ1 LYS 4 1HZ LYS 4 7.573 -4.528 -9.367
35 HZ2 LYS 4 2HZ LYS 4 8.543 -3.156 -9.575
36 HZ3 LYS 4 3HZ LYS 4 6.875 -2.987 -9.346
37 H TRP 5 H TRP 5 7.645 0.496 -2.581
38 HA TRP 5 HA TRP 5 8.367 -0.482 -0.653
39 HB2 TRP 5 1HB TRP 5 6.465 -2.116 -1.197
40 HB3 TRP 5 2HB TRP 5 7.718 -3.181 -1.831
41 HD1 TRP 5 HD1 TRP 5 7.535 -1.131 1.473
42 HE1 TRP 5 HE1 TRP 5 8.074 -2.731 3.417
43 HE3 TRP 5 HE3 TRP 5 8.134 -5.460 -1.179
44 HZ2 TRP 5 HZ2 TRP 5 8.675 -5.464 3.779
45 HZ3 TRP 5 HZ3 TRP 5 8.689 -7.523 0.042
46 HH2 TRP 5 HH2 TRP 5 8.954 -7.523 2.469
47 H NLE 6 H NLE 6 10.319 -0.799 -0.026
48 HA NLE 6 HA NLE 6 12.701 -1.280 -0.069
49 HB2 NLE 6 1HB NLE 6 11.419 -3.509 -1.439
50 HB3 NLE 6 2HB NLE 6 12.951 -3.156 -2.233
51 HG2 NLE 6 1HG NLE 6 13.196 -3.113 0.758
52 HG3 NLE 6 2HG NLE 6 12.573 -4.653 0.179
53 HD2 NLE 6 1HD NLE 6 14.729 -5.259 -0.303
54 HD3 NLE 6 2HD NLE 6 14.724 -4.086 -1.626
55 HE1 NLE 6 1HE NLE 6 15.466 -3.511 1.199
56 HE2 NLE 6 2HE NLE 6 16.505 -3.668 -0.096
57 HE3 NLE 6 3HE NLE 6 15.446 -2.382 -0.038
58 H TRP 7 H TRP 7 11.004 0.409 -2.312
59 HA TRP 7 HA TRP 7 13.375 1.028 -3.950
60 HB2 TRP 7 1HB TRP 7 11.753 0.348 -5.484
61 HB3 TRP 7 2HB TRP 7 10.441 1.081 -4.569
62 HD1 TRP 7 HD1 TRP 7 9.741 3.502 -5.211
63 HE1 TRP 7 HE1 TRP 7 10.548 5.199 -6.971
64 HE3 TRP 7 HE3 TRP 7 14.015 1.137 -6.721
65 HZ2 TRP 7 HZ2 TRP 7 12.709 5.495 -8.764
66 HZ3 TRP 7 HZ3 TRP 7 15.395 2.194 -8.464
67 HH2 TRP 7 HH2 TRP 7 14.753 4.327 -9.461
68 H THR 8 H THR 8 13.818 3.234 -4.419
69 HA THR 8 HA THR 8 13.326 4.981 -2.201
70 HB THR 8 HB THR 8 14.702 6.611 -3.420
71 HG1 THR 8 HG1 THR 8 14.338 6.363 -5.539
72 HG21 THR 8 1HG2 THR 8 15.577 4.379 -2.243
73 HG22 THR 8 2HG2 THR 8 16.668 5.541 -3.000
74 HG23 THR 8 3HG2 THR 8 16.185 4.085 -3.870
75 H CYS 9 H CYS 9 11.404 5.767 -2.010
76 HA CYS 9 HA CYS 9 9.268 6.450 -3.331
77 HB2 CYS 9 1HB CYS 9 9.055 8.167 -1.575
78 HB3 CYS 9 2HB CYS 9 9.793 6.634 -1.066
79 H ASP 10 H ASP 10 9.739 7.375 -5.802
80 HA ASP 10 HA ASP 10 9.873 10.132 -5.799
81 HB2 ASP 10 1HB ASP 10 12.066 10.174 -4.945
82 HB3 ASP 10 2HB ASP 10 12.572 8.808 -5.937
83 H SER 11 H SER 11 11.979 8.102 -7.793
84 HA SER 11 HA SER 11 10.876 9.054 -10.215
85 HB2 SER 11 1HB SER 11 13.133 7.606 -9.483
86 HB3 SER 11 2HB SER 11 12.202 6.472 -10.461
87 HG SER 11 HG SER 11 13.248 7.557 -11.981
88 H LYS 12 H LYS 12 9.739 6.781 -8.013
89 HA LYS 12 HA LYS 12 8.067 5.487 -10.065
90 HB2 LYS 12 1HB LYS 12 9.591 4.027 -8.659
91 HB3 LYS 12 2HB LYS 12 8.593 4.458 -7.275
92 HG2 LYS 12 1HG LYS 12 7.305 2.728 -7.779
93 HG3 LYS 12 2HG LYS 12 6.785 3.616 -9.215
94 HD2 LYS 12 1HD LYS 12 7.557 1.411 -9.846
95 HD3 LYS 12 2HD LYS 12 8.668 2.632 -10.470
96 HE2 LYS 12 1HE LYS 12 10.293 2.131 -8.850
97 HE3 LYS 12 2HE LYS 12 9.145 1.246 -7.848
98 HZ1 LYS 12 1HZ LYS 12 10.473 0.393 -10.332
99 HZ2 LYS 12 2HZ LYS 12 8.991 -0.292 -9.896
100 HZ3 LYS 12 3HZ LYS 12 10.324 -0.431 -8.863
101 H ARG 13 H ARG 13 7.990 6.649 -6.697
102 HA ARG 13 HA ARG 13 5.744 8.221 -6.899
103 HB2 ARG 13 1HB ARG 13 4.082 6.628 -5.717
104 HB3 ARG 13 2HB ARG 13 4.300 6.482 -7.457
105 HG2 ARG 13 1HG ARG 13 6.200 4.779 -6.305
106 HG3 ARG 13 2HG ARG 13 4.705 4.529 -5.403
107 HD2 ARG 13 1HD ARG 13 4.484 4.677 -8.351
108 HD3 ARG 13 2HD ARG 13 5.270 3.247 -7.684
109 HE ARG 13 HE ARG 13 2.846 3.752 -6.323
110 HH11 ARG 13 1HH1 ARG 13 4.081 2.584 -9.362
111 HH12 ARG 13 2HH1 ARG 13 2.708 1.578 -9.683
112 HH21 ARG 13 1HH2 ARG 13 1.032 2.431 -6.734
113 HH22 ARG 13 2HH2 ARG 13 0.973 1.492 -8.187
114 H ALA 14 H ALA 14 4.846 8.855 -4.800
115 HA ALA 14 HA ALA 14 6.784 9.272 -2.865
116 HB1 ALA 14 1HB ALA 14 4.896 10.695 -2.897
117 HB2 ALA 14 2HB ALA 14 3.783 9.344 -2.678
118 HB3 ALA 14 3HB ALA 14 4.841 9.836 -1.357
119 H CYS 15 H CYS 15 6.487 8.638 -0.487
120 HA CYS 15 HA CYS 15 6.723 5.783 -0.212
121 HB2 CYS 15 1HB CYS 15 6.697 8.023 1.818
122 HB3 CYS 15 2HB CYS 15 6.920 6.330 2.270
123 H CYS 16 H CYS 16 5.611 4.601 1.571
124 HA CYS 16 HA CYS 16 2.754 5.141 1.482
125 HB2 CYS 16 1HB CYS 16 4.273 2.811 1.559
126 HB3 CYS 16 2HB CYS 16 3.572 2.915 3.171
127 H GLU 17 H GLU 17 1.737 4.315 3.855
128 HA GLU 17 HA GLU 17 2.460 6.501 5.695
129 HB2 GLU 17 1HB GLU 17 0.391 4.276 5.881
130 HB3 GLU 17 2HB GLU 17 0.594 5.573 7.060
131 HG2 GLU 17 1HG GLU 17 -0.150 5.959 4.125
132 HG3 GLU 17 2HG GLU 17 -1.269 5.979 5.481
133 H GLY 18 H GLY 18 4.424 6.141 6.595
134 HA2 GLY 18 1HA GLY 18 5.234 5.268 8.776
135 HA3 GLY 18 2HA GLY 18 4.809 3.673 8.172
136 H LEU 19 H LEU 19 5.804 3.956 5.542
137 HA LEU 19 HA LEU 19 8.398 3.075 5.791
138 HB2 LEU 19 1HB LEU 19 6.766 4.171 3.585
139 HB3 LEU 19 2HB LEU 19 8.510 4.148 3.329
140 HG LEU 19 HG LEU 19 8.586 1.892 3.119
141 HD11 LEU 19 1HD1 LEU 19 6.344 1.829 5.114
142 HD12 LEU 19 2HD1 LEU 19 7.988 1.212 5.277
143 HD13 LEU 19 3HD1 LEU 19 6.841 0.391 4.221
144 HD21 LEU 19 1HD2 LEU 19 5.661 1.861 2.620
145 HD22 LEU 19 2HD2 LEU 19 6.989 1.258 1.628
146 HD23 LEU 19 3HD2 LEU 19 6.644 2.985 1.680
147 H ARG 20 H ARG 20 10.406 4.116 4.943
148 HA ARG 20 HA ARG 20 10.542 6.923 5.831
149 HB2 ARG 20 1HB ARG 20 12.951 6.427 6.338
150 HB3 ARG 20 2HB ARG 20 11.797 5.567 7.347
151 HG2 ARG 20 1HG ARG 20 12.334 3.930 5.110
152 HG3 ARG 20 2HG ARG 20 13.880 4.520 5.721
153 HD2 ARG 20 1HD ARG 20 12.774 3.874 8.043
154 HD3 ARG 20 2HD ARG 20 11.856 2.773 7.017
155 HE ARG 20 HE ARG 20 13.739 1.502 6.762
156 HH11 ARG 20 1HH1 ARG 20 14.639 4.632 7.988
157 HH12 ARG 20 2HH1 ARG 20 16.294 4.195 8.262
158 HH21 ARG 20 1HH2 ARG 20 15.915 0.914 7.114
159 HH22 ARG 20 2HH2 ARG 20 17.019 2.079 7.763
160 H CYS 21 H CYS 21 10.568 8.189 4.152
161 HA CYS 21 HA CYS 21 11.383 7.452 1.533
162 HB2 CYS 21 1HB CYS 21 9.810 9.341 2.365
163 HB3 CYS 21 2HB CYS 21 11.260 10.294 2.550
164 H LYS 22 H LYS 22 12.949 9.531 0.633
165 HA LYS 22 HA LYS 22 15.075 10.369 0.542
166 HB2 LYS 22 1HB LYS 22 15.653 9.058 3.194
167 HB3 LYS 22 2HB LYS 22 16.456 10.445 2.471
168 HG2 LYS 22 1HG LYS 22 13.984 11.436 2.634
169 HG3 LYS 22 2HG LYS 22 13.918 10.289 3.973
170 HD2 LYS 22 1HD LYS 22 16.191 11.347 4.652
171 HD3 LYS 22 2HD LYS 22 15.688 12.676 3.607
172 HE2 LYS 22 1HE LYS 22 13.543 12.749 4.921
173 HE3 LYS 22 2HE LYS 22 14.281 11.614 6.048
174 HZ1 LYS 22 1HZ LYS 22 16.169 13.418 6.028
175 HZ2 LYS 22 2HZ LYS 22 14.821 13.573 7.039
176 HZ3 LYS 22 3HZ LYS 22 14.893 14.438 5.586
177 H LEU 23 H LEU 23 17.121 8.563 2.172
178 HA LEU 23 HA LEU 23 18.477 7.350 0.239
179 HB2 LEU 23 1HB LEU 23 17.833 5.884 2.788
180 HB3 LEU 23 2HB LEU 23 19.278 5.715 1.793
181 HG LEU 23 HG LEU 23 19.034 8.434 2.652
182 HD11 LEU 23 1HD1 LEU 23 19.254 6.556 4.973
183 HD12 LEU 23 2HD1 LEU 23 17.694 7.205 4.472
184 HD13 LEU 23 3HD1 LEU 23 18.984 8.299 4.971
185 HD21 LEU 23 1HD2 LEU 23 21.258 8.108 3.375
186 HD22 LEU 23 2HD2 LEU 23 21.064 7.099 1.940
187 HD23 LEU 23 3HD2 LEU 23 21.028 6.368 3.545
188 H TRP 24 H TRP 24 15.695 5.806 1.833
189 HA TRP 24 HA TRP 24 14.654 4.675 -0.500
190 HB2 TRP 24 1HB TRP 24 15.451 2.518 -0.615
191 HB3 TRP 24 2HB TRP 24 16.896 3.349 -0.044
192 HD1 TRP 24 HD1 TRP 24 14.233 0.863 1.073
193 HE1 TRP 24 HE1 TRP 24 14.980 -0.215 3.288
194 HE3 TRP 24 HE3 TRP 24 18.294 3.800 2.077
195 HZ2 TRP 24 HZ2 TRP 24 17.019 0.134 5.206
196 HZ3 TRP 24 HZ3 TRP 24 19.590 3.363 4.125
197 HH2 TRP 24 HH2 TRP 24 18.963 1.567 5.655
198 H CYS 25 H CYS 25 12.662 3.648 -0.154
199 HA CYS 25 HA CYS 25 11.621 3.963 2.593
200 HB2 CYS 25 1HB CYS 25 10.529 4.489 -0.021
201 HB3 CYS 25 2HB CYS 25 9.471 3.467 1.005
202 H ARG 26 H ARG 26 10.790 2.506 3.863
203 HA ARG 26 HA ARG 26 10.551 -0.226 3.190
204 HB2 ARG 26 1HB ARG 26 13.200 0.619 3.735
205 HB3 ARG 26 2HB ARG 26 12.660 -0.309 5.128
206 HG2 ARG 26 1HG ARG 26 12.672 -1.231 2.263
207 HG3 ARG 26 2HG ARG 26 13.769 -1.751 3.543
208 HD2 ARG 26 1HD ARG 26 10.786 -2.192 3.453
209 HD3 ARG 26 2HD ARG 26 12.031 -3.410 3.177
210 HE ARG 26 HE ARG 26 11.080 -2.473 5.699
211 HH11 ARG 26 1HH1 ARG 26 13.868 -3.734 4.039
212 HH12 ARG 26 2HH1 ARG 26 14.587 -4.393 5.472
213 HH21 ARG 26 1HH2 ARG 26 12.014 -3.337 7.592
214 HH22 ARG 26 2HH2 ARG 26 13.529 -4.168 7.492
215 H LYS 27 H LYS 27 9.675 -1.456 4.870
216 HA LYS 27 HA LYS 27 8.105 -0.137 6.731
217 HB2 LYS 27 1HB LYS 27 8.644 -2.838 6.002
218 HB3 LYS 27 2HB LYS 27 8.710 -2.729 7.757
219 HG2 LYS 27 1HG LYS 27 6.470 -1.497 7.570
220 HG3 LYS 27 2HG LYS 27 6.417 -2.135 5.925
221 HD2 LYS 27 1HD LYS 27 6.933 -4.410 7.091
222 HD3 LYS 27 2HD LYS 27 6.325 -3.594 8.533
223 HE2 LYS 27 1HE LYS 27 4.377 -4.490 7.746
224 HE3 LYS 27 2HE LYS 27 4.352 -2.938 6.909
225 HZ1 LYS 27 1HZ LYS 27 4.713 -3.900 4.919
226 HZ2 LYS 27 2HZ LYS 27 4.024 -5.250 5.670
227 HZ3 LYS 27 3HZ LYS 27 5.704 -5.122 5.543
228 H GLU 28 H GLU 28 8.252 0.239 8.941
229 HA GLU 28 HA GLU 28 10.997 0.249 9.994
230 HB2 GLU 28 1HB GLU 28 9.423 2.376 9.748
231 HB3 GLU 28 2HB GLU 28 8.805 1.802 11.292
232 HG2 GLU 28 1HG GLU 28 11.593 1.727 11.512
233 HG3 GLU 28 2HG GLU 28 11.211 3.250 10.711
234 H ILE 29 H ILE 29 11.287 -0.181 12.287
235 HA ILE 29 HA ILE 29 9.348 -2.169 13.267
236 HB ILE 29 HB ILE 29 11.217 -3.126 14.575
237 HG12 ILE 29 1HG1 ILE 29 13.256 -1.733 12.957
238 HG13 ILE 29 2HG1 ILE 29 12.468 -0.745 14.182
239 HG21 ILE 29 1HG2 ILE 29 10.619 -4.043 12.388
240 HG22 ILE 29 2HG2 ILE 29 11.757 -2.940 11.614
241 HG23 ILE 29 3HG2 ILE 29 12.347 -4.197 12.702
242 HD11 ILE 29 1HD1 ILE 29 13.052 -3.004 15.581
243 HD12 ILE 29 2HD1 ILE 29 14.415 -2.898 14.467
244 HD13 ILE 29 3HD1 ILE 29 14.043 -1.547 15.536
245 HXT ILE 29 HXT ILE 29 9.923 0.759 13.786
Start of MODEL 6
1 H1 TYR 1 1H TYR 1 0.109 6.867 -3.066
2 H2 TYR 1 2H TYR 1 0.979 6.984 -1.728
3 H3 TYR 1 3H TYR 1 1.607 6.308 -3.096
4 HA TYR 1 HA TYR 1 0.230 5.167 -0.963
5 HB2 TYR 1 1HB TYR 1 -0.860 4.991 -3.687
6 HB3 TYR 1 2HB TYR 1 -0.564 3.431 -2.927
7 HD1 TYR 1 HD1 TYR 1 -1.712 6.650 -1.435
8 HD2 TYR 1 HD2 TYR 1 -2.653 2.601 -2.338
9 HE1 TYR 1 HE1 TYR 1 -3.818 6.867 -0.182
10 HE2 TYR 1 HE2 TYR 1 -4.763 2.807 -1.092
11 HH TYR 1 HH TYR 1 -6.329 5.037 -0.480
12 H CYS 2 H CYS 2 2.477 4.872 -0.480
13 HA CYS 2 HA CYS 2 4.371 3.620 -0.347
14 HB2 CYS 2 1HB CYS 2 2.986 1.644 -2.165
15 HB3 CYS 2 2HB CYS 2 4.296 1.321 -1.034
16 H GLN 3 H GLN 3 6.150 2.602 -1.723
17 HA GLN 3 HA GLN 3 6.203 3.782 -4.414
18 HB2 GLN 3 1HB GLN 3 8.293 4.774 -4.104
19 HB3 GLN 3 2HB GLN 3 7.453 5.122 -2.599
20 HG2 GLN 3 1HG GLN 3 9.704 3.246 -3.122
21 HG3 GLN 3 2HG GLN 3 9.517 4.456 -1.853
22 HE21 GLN 3 1HE2 GLN 3 7.191 3.873 -0.698
23 HE22 GLN 3 2HE2 GLN 3 7.207 2.282 -0.022
24 H LYS 4 H LYS 4 5.558 1.261 -4.332
25 HA LYS 4 HA LYS 4 6.132 -0.729 -5.302
26 HB2 LYS 4 1HB LYS 4 7.926 0.851 -6.430
27 HB3 LYS 4 2HB LYS 4 9.034 -0.022 -5.382
28 HG2 LYS 4 1HG LYS 4 7.678 -2.085 -6.460
29 HG3 LYS 4 2HG LYS 4 7.595 -0.921 -7.783
30 HD2 LYS 4 1HD LYS 4 10.122 -0.628 -7.407
31 HD3 LYS 4 2HD LYS 4 10.017 -2.132 -6.488
32 HE2 LYS 4 1HE LYS 4 8.619 -2.581 -8.880
33 HE3 LYS 4 2HE LYS 4 10.095 -1.730 -9.335
34 HZ1 LYS 4 1HZ LYS 4 10.604 -4.013 -9.353
35 HZ2 LYS 4 2HZ LYS 4 9.858 -4.289 -7.860
36 HZ3 LYS 4 3HZ LYS 4 11.303 -3.410 -7.934
37 H TRP 5 H TRP 5 7.489 0.540 -2.490
38 HA TRP 5 HA TRP 5 8.100 -0.415 -0.515
39 HB2 TRP 5 1HB TRP 5 6.216 -2.007 -1.090
40 HB3 TRP 5 2HB TRP 5 7.439 -3.089 -1.754
41 HD1 TRP 5 HD1 TRP 5 7.309 -1.149 1.616
42 HE1 TRP 5 HE1 TRP 5 7.785 -2.830 3.506
43 HE3 TRP 5 HE3 TRP 5 7.772 -5.404 -1.180
44 HZ2 TRP 5 HZ2 TRP 5 8.290 -5.593 3.776
45 HZ3 TRP 5 HZ3 TRP 5 8.253 -7.525 -0.028
46 HH2 TRP 5 HH2 TRP 5 8.505 -7.616 2.398
47 H NLE 6 H NLE 6 9.988 -0.791 0.275
48 HA NLE 6 HA NLE 6 12.372 -1.211 0.378
49 HB2 NLE 6 1HB NLE 6 11.654 -3.550 0.175
50 HB3 NLE 6 2HB NLE 6 11.600 -3.444 -1.583
51 HG2 NLE 6 1HG NLE 6 14.256 -2.678 -0.310
52 HG3 NLE 6 2HG NLE 6 13.794 -4.366 -0.117
53 HD2 NLE 6 1HD NLE 6 14.044 -4.856 -2.395
54 HD3 NLE 6 2HD NLE 6 13.457 -3.274 -2.927
55 HE1 NLE 6 1HE NLE 6 16.114 -3.816 -1.700
56 HE2 NLE 6 2HE NLE 6 15.798 -3.511 -3.309
57 HE3 NLE 6 3HE NLE 6 15.566 -2.305 -2.181
58 H TRP 7 H TRP 7 10.890 0.403 -1.991
59 HA TRP 7 HA TRP 7 13.324 0.771 -3.610
60 HB2 TRP 7 1HB TRP 7 11.690 0.076 -5.131
61 HB3 TRP 7 2HB TRP 7 10.411 0.970 -4.313
62 HD1 TRP 7 HD1 TRP 7 9.875 3.344 -5.203
63 HE1 TRP 7 HE1 TRP 7 10.864 4.853 -7.039
64 HE3 TRP 7 HE3 TRP 7 14.084 0.652 -6.287
65 HZ2 TRP 7 HZ2 TRP 7 13.127 4.896 -8.723
66 HZ3 TRP 7 HZ3 TRP 7 15.608 1.496 -8.025
67 HH2 TRP 7 HH2 TRP 7 15.138 3.574 -9.217
68 H THR 8 H THR 8 13.826 2.942 -4.281
69 HA THR 8 HA THR 8 13.465 4.837 -2.162
70 HB THR 8 HB THR 8 14.889 6.322 -3.464
71 HG1 THR 8 HG1 THR 8 15.492 5.792 -5.560
72 HG21 THR 8 1HG2 THR 8 15.692 4.038 -2.319
73 HG22 THR 8 2HG2 THR 8 16.806 5.144 -3.124
74 HG23 THR 8 3HG2 THR 8 16.209 3.718 -3.974
75 H CYS 9 H CYS 9 11.586 5.733 -1.940
76 HA CYS 9 HA CYS 9 9.462 6.328 -3.470
77 HB2 CYS 9 1HB CYS 9 9.151 8.214 -1.756
78 HB3 CYS 9 2HB CYS 9 9.421 6.597 -1.147
79 H ASP 10 H ASP 10 9.988 7.185 -5.802
80 HA ASP 10 HA ASP 10 10.141 9.937 -5.924
81 HB2 ASP 10 1HB ASP 10 12.298 10.045 -5.017
82 HB3 ASP 10 2HB ASP 10 12.831 8.601 -5.874
83 H SER 11 H SER 11 12.256 7.732 -7.727
84 HA SER 11 HA SER 11 11.335 8.606 -10.242
85 HB2 SER 11 1HB SER 11 13.367 6.892 -9.267
86 HB3 SER 11 2HB SER 11 12.424 5.954 -10.426
87 HG SER 11 HG SER 11 12.787 7.567 -11.960
88 H LYS 12 H LYS 12 9.945 6.514 -7.986
89 HA LYS 12 HA LYS 12 8.225 5.302 -10.049
90 HB2 LYS 12 1HB LYS 12 9.039 4.312 -7.321
91 HB3 LYS 12 2HB LYS 12 7.689 3.621 -8.209
92 HG2 LYS 12 1HG LYS 12 10.299 3.824 -9.601
93 HG3 LYS 12 2HG LYS 12 10.123 2.605 -8.337
94 HD2 LYS 12 1HD LYS 12 8.106 2.896 -10.544
95 HD3 LYS 12 2HD LYS 12 9.565 1.921 -10.745
96 HE2 LYS 12 1HE LYS 12 8.927 0.587 -8.787
97 HE3 LYS 12 2HE LYS 12 7.468 1.557 -8.605
98 HZ1 LYS 12 1HZ LYS 12 8.126 -0.093 -10.985
99 HZ2 LYS 12 2HZ LYS 12 6.698 0.780 -10.737
100 HZ3 LYS 12 3HZ LYS 12 7.059 -0.549 -9.755
101 H ARG 13 H ARG 13 8.193 6.566 -6.721
102 HA ARG 13 HA ARG 13 6.025 8.255 -7.033
103 HB2 ARG 13 1HB ARG 13 4.344 6.779 -5.673
104 HB3 ARG 13 2HB ARG 13 4.459 6.603 -7.418
105 HG2 ARG 13 1HG ARG 13 6.341 4.852 -6.175
106 HG3 ARG 13 2HG ARG 13 4.749 4.619 -5.449
107 HD2 ARG 13 1HD ARG 13 4.474 4.873 -8.285
108 HD3 ARG 13 2HD ARG 13 5.696 3.654 -7.924
109 HE ARG 13 HE ARG 13 3.519 3.147 -6.275
110 HH11 ARG 13 1HH1 ARG 13 4.243 3.195 -9.680
111 HH12 ARG 13 2HH1 ARG 13 3.072 1.982 -10.078
112 HH21 ARG 13 1HH2 ARG 13 1.975 1.550 -6.788
113 HH22 ARG 13 2HH2 ARG 13 1.781 1.048 -8.432
114 H ALA 14 H ALA 14 4.801 8.426 -4.708
115 HA ALA 14 HA ALA 14 6.909 9.114 -2.885
116 HB1 ALA 14 1HB ALA 14 4.471 10.159 -3.344
117 HB2 ALA 14 2HB ALA 14 4.126 9.181 -1.918
118 HB3 ALA 14 3HB ALA 14 5.383 10.417 -1.858
119 H CYS 15 H CYS 15 6.598 8.541 -0.492
120 HA CYS 15 HA CYS 15 6.710 5.675 -0.277
121 HB2 CYS 15 1HB CYS 15 7.502 7.975 1.338
122 HB3 CYS 15 2HB CYS 15 6.812 6.676 2.305
123 H CYS 16 H CYS 16 5.587 4.587 1.609
124 HA CYS 16 HA CYS 16 2.745 5.177 1.412
125 HB2 CYS 16 1HB CYS 16 4.196 2.821 1.513
126 HB3 CYS 16 2HB CYS 16 3.497 2.932 3.126
127 H GLU 17 H GLU 17 1.654 4.330 3.740
128 HA GLU 17 HA GLU 17 2.266 6.535 5.585
129 HB2 GLU 17 1HB GLU 17 0.202 4.299 5.693
130 HB3 GLU 17 2HB GLU 17 0.388 5.568 6.902
131 HG2 GLU 17 1HG GLU 17 -1.398 6.230 5.477
132 HG3 GLU 17 2HG GLU 17 -0.037 7.300 5.162
133 H GLY 18 H GLY 18 3.708 6.384 7.164
134 HA2 GLY 18 1HA GLY 18 4.639 5.477 9.137
135 HA3 GLY 18 2HA GLY 18 4.156 3.875 8.599
136 H LEU 19 H LEU 19 5.294 4.352 5.902
137 HA LEU 19 HA LEU 19 7.790 3.179 6.260
138 HB2 LEU 19 1HB LEU 19 6.258 4.293 4.054
139 HB3 LEU 19 2HB LEU 19 7.997 4.496 3.841
140 HG LEU 19 HG LEU 19 8.354 2.138 3.902
141 HD11 LEU 19 1HD1 LEU 19 6.563 0.535 4.270
142 HD12 LEU 19 2HD1 LEU 19 5.422 1.852 4.543
143 HD13 LEU 19 3HD1 LEU 19 6.755 1.592 5.668
144 HD21 LEU 19 1HD2 LEU 19 5.909 2.121 2.250
145 HD22 LEU 19 2HD2 LEU 19 7.567 1.689 1.833
146 HD23 LEU 19 3HD2 LEU 19 7.084 3.383 1.887
147 H ARG 20 H ARG 20 9.786 4.326 5.042
148 HA ARG 20 HA ARG 20 10.113 7.026 6.148
149 HB2 ARG 20 1HB ARG 20 12.447 6.370 6.829
150 HB3 ARG 20 2HB ARG 20 11.160 5.643 7.783
151 HG2 ARG 20 1HG ARG 20 11.695 3.876 5.655
152 HG3 ARG 20 2HG ARG 20 13.251 4.375 6.323
153 HD2 ARG 20 1HD ARG 20 10.941 3.336 7.957
154 HD3 ARG 20 2HD ARG 20 12.293 2.350 7.401
155 HE ARG 20 HE ARG 20 12.279 4.131 9.624
156 HH11 ARG 20 1HH1 ARG 20 14.296 2.812 7.113
157 HH12 ARG 20 2HH1 ARG 20 15.765 3.016 8.005
158 HH21 ARG 20 1HH2 ARG 20 14.207 4.405 10.810
159 HH22 ARG 20 2HH2 ARG 20 15.714 3.921 10.110
160 H CYS 21 H CYS 21 10.066 8.038 4.229
161 HA CYS 21 HA CYS 21 11.442 7.207 1.848
162 HB2 CYS 21 1HB CYS 21 9.450 8.749 2.062
163 HB3 CYS 21 2HB CYS 21 10.523 9.992 2.670
164 H LYS 22 H LYS 22 12.991 9.266 0.984
165 HA LYS 22 HA LYS 22 15.134 10.028 0.938
166 HB2 LYS 22 1HB LYS 22 14.308 10.736 3.374
167 HB3 LYS 22 2HB LYS 22 15.538 9.574 3.854
168 HG2 LYS 22 1HG LYS 22 16.287 11.621 1.844
169 HG3 LYS 22 2HG LYS 22 16.074 12.142 3.517
170 HD2 LYS 22 1HD LYS 22 17.692 10.484 4.258
171 HD3 LYS 22 2HD LYS 22 17.870 9.893 2.605
172 HE2 LYS 22 1HE LYS 22 19.490 11.382 2.299
173 HE3 LYS 22 2HE LYS 22 18.300 12.667 2.502
174 HZ1 LYS 22 1HZ LYS 22 19.235 11.528 4.979
175 HZ2 LYS 22 2HZ LYS 22 19.063 13.151 4.529
176 HZ3 LYS 22 3HZ LYS 22 20.449 12.292 4.082
177 H LEU 23 H LEU 23 16.624 8.791 0.029
178 HA LEU 23 HA LEU 23 18.289 7.239 -0.195
179 HB2 LEU 23 1HB LEU 23 18.137 7.554 2.527
180 HB3 LEU 23 2HB LEU 23 17.874 5.822 2.325
181 HG LEU 23 HG LEU 23 20.043 6.060 0.806
182 HD11 LEU 23 1HD1 LEU 23 21.615 7.644 1.827
183 HD12 LEU 23 2HD1 LEU 23 20.309 8.289 2.818
184 HD13 LEU 23 3HD1 LEU 23 20.253 8.462 1.064
185 HD21 LEU 23 1HD2 LEU 23 19.531 5.426 3.604
186 HD22 LEU 23 2HD2 LEU 23 21.200 5.905 3.292
187 HD23 LEU 23 3HD2 LEU 23 20.487 4.561 2.400
188 H TRP 24 H TRP 24 15.459 5.983 1.554
189 HA TRP 24 HA TRP 24 14.579 4.345 -0.531
190 HB2 TRP 24 1HB TRP 24 15.499 2.288 -0.214
191 HB3 TRP 24 2HB TRP 24 16.826 3.234 0.456
192 HD1 TRP 24 HD1 TRP 24 13.850 1.070 1.574
193 HE1 TRP 24 HE1 TRP 24 14.290 0.265 3.978
194 HE3 TRP 24 HE3 TRP 24 18.095 3.742 2.556
195 HZ2 TRP 24 HZ2 TRP 24 16.187 0.706 6.023
196 HZ3 TRP 24 HZ3 TRP 24 19.160 3.495 4.761
197 HH2 TRP 24 HH2 TRP 24 18.222 2.008 6.456
198 H CYS 25 H CYS 25 12.577 3.501 -0.097
199 HA CYS 25 HA CYS 25 11.458 4.183 2.518
200 HB2 CYS 25 1HB CYS 25 10.489 4.289 -0.166
201 HB3 CYS 25 2HB CYS 25 9.462 3.190 0.749
202 H ARG 26 H ARG 26 10.477 2.715 3.857
203 HA ARG 26 HA ARG 26 9.777 0.086 3.207
204 HB2 ARG 26 1HB ARG 26 12.517 0.330 3.296
205 HB3 ARG 26 2HB ARG 26 12.134 -0.221 4.921
206 HG2 ARG 26 1HG ARG 26 11.136 -1.598 2.443
207 HG3 ARG 26 2HG ARG 26 12.649 -2.019 3.249
208 HD2 ARG 26 1HD ARG 26 10.829 -1.978 5.314
209 HD3 ARG 26 2HD ARG 26 9.898 -2.651 3.976
210 HE ARG 26 HE ARG 26 11.932 -3.964 5.442
211 HH11 ARG 26 1HH1 ARG 26 10.648 -3.629 2.223
212 HH12 ARG 26 2HH1 ARG 26 11.169 -5.200 1.711
213 HH21 ARG 26 1HH2 ARG 26 12.624 -6.033 4.780
214 HH22 ARG 26 2HH2 ARG 26 12.292 -6.568 3.167
215 H LYS 27 H LYS 27 8.921 -1.059 4.979
216 HA LYS 27 HA LYS 27 7.682 0.398 6.949
217 HB2 LYS 27 1HB LYS 27 8.123 -2.418 6.384
218 HB3 LYS 27 2HB LYS 27 8.057 -2.107 8.113
219 HG2 LYS 27 1HG LYS 27 5.959 -1.098 6.220
220 HG3 LYS 27 2HG LYS 27 5.878 -2.693 6.973
221 HD2 LYS 27 1HD LYS 27 6.365 -1.169 9.140
222 HD3 LYS 27 2HD LYS 27 5.480 -0.012 8.145
223 HE2 LYS 27 1HE LYS 27 3.858 -2.073 7.822
224 HE3 LYS 27 2HE LYS 27 4.570 -2.575 9.355
225 HZ1 LYS 27 1HZ LYS 27 4.005 -0.134 10.021
226 HZ2 LYS 27 2HZ LYS 27 2.811 -1.330 10.069
227 HZ3 LYS 27 3HZ LYS 27 2.878 -0.252 8.765
228 H GLU 28 H GLU 28 7.993 0.493 9.262
229 HA GLU 28 HA GLU 28 10.490 1.442 10.029
230 HB2 GLU 28 1HB GLU 28 7.950 1.155 11.216
231 HB3 GLU 28 2HB GLU 28 9.088 0.376 12.307
232 HG2 GLU 28 1HG GLU 28 9.643 3.106 11.227
233 HG3 GLU 28 2HG GLU 28 8.566 2.882 12.605
234 H ILE 29 H ILE 29 12.305 0.281 9.978
235 HA ILE 29 HA ILE 29 12.307 -2.546 10.588
236 HB ILE 29 HB ILE 29 14.699 -0.793 10.044
237 HG12 ILE 29 1HG1 ILE 29 14.076 -2.291 7.751
238 HG13 ILE 29 2HG1 ILE 29 12.551 -1.592 8.283
239 HG21 ILE 29 1HG2 ILE 29 14.617 -3.354 10.935
240 HG22 ILE 29 2HG2 ILE 29 14.666 -3.599 9.189
241 HG23 ILE 29 3HG2 ILE 29 15.935 -2.667 9.985
242 HD11 ILE 29 1HD1 ILE 29 13.432 0.613 8.142
243 HD12 ILE 29 2HD1 ILE 29 15.064 0.004 7.865
244 HD13 ILE 29 3HD1 ILE 29 13.818 -0.222 6.638
245 HXT ILE 29 HXT ILE 29 15.005 -2.004 11.659
Start of MODEL 7
1 H1 TYR 1 1H TYR 1 -0.990 3.098 -2.219
2 H2 TYR 1 2H TYR 1 -0.609 3.918 -3.538
3 H3 TYR 1 3H TYR 1 0.486 2.925 -2.808
4 HA TYR 1 HA TYR 1 0.240 5.590 -2.623
5 HB2 TYR 1 1HB TYR 1 -0.818 4.099 -0.275
6 HB3 TYR 1 2HB TYR 1 0.255 5.458 0.047
7 HD1 TYR 1 HD1 TYR 1 -3.086 4.474 -0.628
8 HD2 TYR 1 HD2 TYR 1 -0.356 7.703 -1.103
9 HE1 TYR 1 HE1 TYR 1 -4.976 6.023 -0.911
10 HE2 TYR 1 HE2 TYR 1 -2.238 9.260 -1.387
11 HH TYR 1 HH TYR 1 -4.799 8.916 -2.233
12 H CYS 2 H CYS 2 1.490 2.521 -1.571
13 HA CYS 2 HA CYS 2 3.840 3.364 -0.298
14 HB2 CYS 2 1HB CYS 2 3.494 0.847 -1.938
15 HB3 CYS 2 2HB CYS 2 4.654 1.115 -0.640
16 H GLN 3 H GLN 3 5.950 2.161 -1.601
17 HA GLN 3 HA GLN 3 6.175 3.641 -4.133
18 HB2 GLN 3 1HB GLN 3 8.367 4.426 -3.561
19 HB3 GLN 3 2HB GLN 3 7.277 4.867 -2.253
20 HG2 GLN 3 1HG GLN 3 9.255 2.601 -2.278
21 HG3 GLN 3 2HG GLN 3 9.345 4.086 -1.333
22 HE21 GLN 3 1HE2 GLN 3 8.954 1.004 -0.897
23 HE22 GLN 3 2HE2 GLN 3 7.770 0.964 0.361
24 H LYS 4 H LYS 4 5.541 1.008 -4.131
25 HA LYS 4 HA LYS 4 6.161 -0.876 -5.275
26 HB2 LYS 4 1HB LYS 4 7.845 0.849 -6.352
27 HB3 LYS 4 2HB LYS 4 9.026 -0.035 -5.394
28 HG2 LYS 4 1HG LYS 4 7.362 -1.898 -6.774
29 HG3 LYS 4 2HG LYS 4 7.980 -0.704 -7.918
30 HD2 LYS 4 1HD LYS 4 10.258 -1.138 -7.146
31 HD3 LYS 4 2HD LYS 4 9.646 -2.316 -5.983
32 HE2 LYS 4 1HE LYS 4 9.100 -3.849 -7.626
33 HE3 LYS 4 2HE LYS 4 8.998 -2.618 -8.884
34 HZ1 LYS 4 1HZ LYS 4 11.615 -2.687 -7.846
35 HZ2 LYS 4 2HZ LYS 4 11.094 -3.006 -9.423
36 HZ3 LYS 4 3HZ LYS 4 11.159 -4.255 -8.285
37 H TRP 5 H TRP 5 7.602 0.268 -2.439
38 HA TRP 5 HA TRP 5 8.194 -0.845 -0.529
39 HB2 TRP 5 1HB TRP 5 6.585 -2.641 -1.525
40 HB3 TRP 5 2HB TRP 5 8.071 -3.491 -1.944
41 HD1 TRP 5 HD1 TRP 5 7.632 -1.550 1.348
42 HE1 TRP 5 HE1 TRP 5 7.781 -3.221 3.300
43 HE3 TRP 5 HE3 TRP 5 7.799 -5.905 -1.324
44 HZ2 TRP 5 HZ2 TRP 5 7.947 -6.016 3.659
45 HZ3 TRP 5 HZ3 TRP 5 7.953 -8.034 -0.100
46 HH2 TRP 5 HH2 TRP 5 8.026 -8.086 2.340
47 H NLE 6 H NLE 6 10.101 -1.054 0.278
48 HA NLE 6 HA NLE 6 12.517 -0.965 0.346
49 HB2 NLE 6 1HB NLE 6 12.099 -3.408 0.287
50 HB3 NLE 6 2HB NLE 6 12.163 -3.414 -1.473
51 HG2 NLE 6 1HG NLE 6 14.326 -4.167 -0.323
52 HG3 NLE 6 2HG NLE 6 14.570 -2.862 -1.478
53 HD2 NLE 6 1HD NLE 6 15.190 -1.321 0.166
54 HD3 NLE 6 2HD NLE 6 14.019 -1.924 1.345
55 HE1 NLE 6 1HE NLE 6 16.557 -3.274 0.576
56 HE2 NLE 6 2HE NLE 6 16.255 -2.442 1.990
57 HE3 NLE 6 3HE NLE 6 15.447 -3.868 1.682
58 H TRP 7 H TRP 7 11.044 0.615 -1.797
59 HA TRP 7 HA TRP 7 13.337 1.009 -3.604
60 HB2 TRP 7 1HB TRP 7 11.718 0.138 -5.051
61 HB3 TRP 7 2HB TRP 7 10.399 0.964 -4.226
62 HD1 TRP 7 HD1 TRP 7 9.778 3.381 -5.034
63 HE1 TRP 7 HE1 TRP 7 10.556 4.847 -7.002
64 HE3 TRP 7 HE3 TRP 7 13.867 0.681 -6.493
65 HZ2 TRP 7 HZ2 TRP 7 12.628 4.857 -8.919
66 HZ3 TRP 7 HZ3 TRP 7 15.193 1.487 -8.403
67 HH2 TRP 7 HH2 TRP 7 14.584 3.532 -9.590
68 H THR 8 H THR 8 13.850 3.137 -4.150
69 HA THR 8 HA THR 8 13.425 5.070 -2.154
70 HB THR 8 HB THR 8 14.337 6.675 -3.977
71 HG1 THR 8 HG1 THR 8 14.886 5.800 -5.849
72 HG21 THR 8 1HG2 THR 8 15.629 5.593 -2.105
73 HG22 THR 8 2HG2 THR 8 16.577 5.970 -3.544
74 HG23 THR 8 3HG2 THR 8 16.059 4.313 -3.237
75 H CYS 9 H CYS 9 11.533 5.772 -1.751
76 HA CYS 9 HA CYS 9 9.175 6.253 -2.803
77 HB2 CYS 9 1HB CYS 9 9.179 8.095 -1.037
78 HB3 CYS 9 2HB CYS 9 9.717 6.473 -0.636
79 H ASP 10 H ASP 10 9.548 7.185 -5.402
80 HA ASP 10 HA ASP 10 9.281 9.896 -5.478
81 HB2 ASP 10 1HB ASP 10 12.005 9.151 -4.814
82 HB3 ASP 10 2HB ASP 10 11.941 10.084 -6.307
83 H SER 11 H SER 11 11.833 8.114 -7.187
84 HA SER 11 HA SER 11 11.064 8.916 -9.740
85 HB2 SER 11 1HB SER 11 12.940 7.007 -8.592
86 HB3 SER 11 2HB SER 11 12.266 6.434 -10.117
87 HG SER 11 HG SER 11 13.105 8.153 -11.152
88 H LYS 12 H LYS 12 9.686 6.565 -7.670
89 HA LYS 12 HA LYS 12 8.078 5.499 -9.898
90 HB2 LYS 12 1HB LYS 12 9.555 3.880 -8.602
91 HB3 LYS 12 2HB LYS 12 8.489 4.155 -7.229
92 HG2 LYS 12 1HG LYS 12 7.169 2.554 -7.989
93 HG3 LYS 12 2HG LYS 12 6.820 3.552 -9.403
94 HD2 LYS 12 1HD LYS 12 7.608 1.366 -10.100
95 HD3 LYS 12 2HD LYS 12 8.794 2.602 -10.531
96 HE2 LYS 12 1HE LYS 12 10.288 1.918 -8.901
97 HE3 LYS 12 2HE LYS 12 9.036 1.142 -7.934
98 HZ1 LYS 12 1HZ LYS 12 10.116 0.158 -10.519
99 HZ2 LYS 12 2HZ LYS 12 8.852 -0.567 -9.660
100 HZ3 LYS 12 3HZ LYS 12 10.405 -0.510 -8.992
101 H ARG 13 H ARG 13 7.949 6.363 -6.450
102 HA ARG 13 HA ARG 13 5.667 7.918 -6.591
103 HB2 ARG 13 1HB ARG 13 4.065 6.232 -5.448
104 HB3 ARG 13 2HB ARG 13 4.263 6.162 -7.194
105 HG2 ARG 13 1HG ARG 13 6.223 4.476 -6.040
106 HG3 ARG 13 2HG ARG 13 4.674 4.116 -5.275
107 HD2 ARG 13 1HD ARG 13 5.322 4.093 -8.217
108 HD3 ARG 13 2HD ARG 13 4.897 2.716 -7.202
109 HE ARG 13 HE ARG 13 3.099 4.504 -8.488
110 HH11 ARG 13 1HH1 ARG 13 3.527 2.574 -5.622
111 HH12 ARG 13 2HH1 ARG 13 1.828 2.374 -5.344
112 HH21 ARG 13 1HH2 ARG 13 0.859 4.249 -8.133
113 HH22 ARG 13 2HH2 ARG 13 0.312 3.327 -6.773
114 H ALA 14 H ALA 14 4.968 8.671 -4.546
115 HA ALA 14 HA ALA 14 6.913 8.852 -2.580
116 HB1 ALA 14 1HB ALA 14 4.502 10.048 -3.037
117 HB2 ALA 14 2HB ALA 14 4.186 9.130 -1.563
118 HB3 ALA 14 3HB ALA 14 5.507 10.298 -1.609
119 H CYS 15 H CYS 15 6.482 8.273 -0.196
120 HA CYS 15 HA CYS 15 6.485 5.421 0.023
121 HB2 CYS 15 1HB CYS 15 6.346 7.481 2.226
122 HB3 CYS 15 2HB CYS 15 6.772 5.789 2.412
123 H CYS 16 H CYS 16 5.089 4.314 1.767
124 HA CYS 16 HA CYS 16 2.331 4.585 1.026
125 HB2 CYS 16 1HB CYS 16 3.925 2.524 1.992
126 HB3 CYS 16 2HB CYS 16 2.834 2.875 3.330
127 H GLU 17 H GLU 17 2.382 6.903 1.849
128 HA GLU 17 HA GLU 17 1.966 8.546 3.358
129 HB2 GLU 17 1HB GLU 17 0.048 6.505 4.543
130 HB3 GLU 17 2HB GLU 17 -0.037 8.257 4.732
131 HG2 GLU 17 1HG GLU 17 -0.376 6.742 2.106
132 HG3 GLU 17 2HG GLU 17 -1.661 7.425 3.087
133 H GLY 18 H GLY 18 4.181 6.699 4.048
134 HA2 GLY 18 1HA GLY 18 4.866 7.744 6.555
135 HA3 GLY 18 2HA GLY 18 4.262 6.112 6.803
136 H LEU 19 H LEU 19 5.653 4.476 6.597
137 HA LEU 19 HA LEU 19 7.659 3.411 6.384
138 HB2 LEU 19 1HB LEU 19 6.820 4.388 3.831
139 HB3 LEU 19 2HB LEU 19 8.580 4.417 3.915
140 HG LEU 19 HG LEU 19 8.545 2.012 4.517
141 HD11 LEU 19 1HD1 LEU 19 6.464 1.634 5.496
142 HD12 LEU 19 2HD1 LEU 19 6.343 0.840 3.925
143 HD13 LEU 19 3HD1 LEU 19 5.595 2.417 4.175
144 HD21 LEU 19 1HD2 LEU 19 7.080 1.807 2.057
145 HD22 LEU 19 2HD2 LEU 19 8.808 1.617 2.349
146 HD23 LEU 19 3HD2 LEU 19 8.138 3.216 2.022
147 H ARG 20 H ARG 20 10.056 4.000 5.234
148 HA ARG 20 HA ARG 20 10.886 6.481 6.592
149 HB2 ARG 20 1HB ARG 20 13.041 5.337 7.083
150 HB3 ARG 20 2HB ARG 20 11.661 4.607 7.892
151 HG2 ARG 20 1HG ARG 20 11.724 3.119 5.655
152 HG3 ARG 20 2HG ARG 20 13.437 3.517 5.813
153 HD2 ARG 20 1HD ARG 20 11.712 2.290 7.963
154 HD3 ARG 20 2HD ARG 20 12.859 1.416 6.950
155 HE ARG 20 HE ARG 20 14.034 3.605 8.391
156 HH11 ARG 20 1HH1 ARG 20 13.131 0.245 8.529
157 HH12 ARG 20 2HH1 ARG 20 14.283 -0.149 9.761
158 HH21 ARG 20 1HH2 ARG 20 15.555 3.098 10.014
159 HH22 ARG 20 2HH2 ARG 20 15.661 1.476 10.605
160 H CYS 21 H CYS 21 10.602 7.541 4.633
161 HA CYS 21 HA CYS 21 11.891 7.002 2.154
162 HB2 CYS 21 1HB CYS 21 10.032 8.703 2.813
163 HB3 CYS 21 2HB CYS 21 11.333 9.762 3.242
164 H LYS 22 H LYS 22 13.448 9.058 1.449
165 HA LYS 22 HA LYS 22 15.505 10.042 1.592
166 HB2 LYS 22 1HB LYS 22 14.751 10.041 4.177
167 HB3 LYS 22 2HB LYS 22 16.131 8.955 4.280
168 HG2 LYS 22 1HG LYS 22 17.527 10.688 3.207
169 HG3 LYS 22 2HG LYS 22 16.139 11.778 3.232
170 HD2 LYS 22 1HD LYS 22 16.382 12.221 5.421
171 HD3 LYS 22 2HD LYS 22 16.733 10.537 5.818
172 HE2 LYS 22 1HE LYS 22 18.945 10.881 5.782
173 HE3 LYS 22 2HE LYS 22 18.860 11.829 4.298
174 HZ1 LYS 22 1HZ LYS 22 18.348 13.771 5.518
175 HZ2 LYS 22 2HZ LYS 22 19.659 13.053 6.307
176 HZ3 LYS 22 3HZ LYS 22 18.102 12.909 6.953
177 H LEU 23 H LEU 23 16.537 8.826 0.081
178 HA LEU 23 HA LEU 23 18.228 7.475 -0.669
179 HB2 LEU 23 1HB LEU 23 18.403 6.212 2.048
180 HB3 LEU 23 2HB LEU 23 19.650 6.327 0.806
181 HG LEU 23 HG LEU 23 18.796 8.942 1.727
182 HD11 LEU 23 1HD1 LEU 23 20.211 8.440 3.925
183 HD12 LEU 23 2HD1 LEU 23 19.442 6.865 3.733
184 HD13 LEU 23 3HD1 LEU 23 18.452 8.318 3.878
185 HD21 LEU 23 1HD2 LEU 23 21.044 9.407 1.604
186 HD22 LEU 23 2HD2 LEU 23 20.911 8.074 0.457
187 HD23 LEU 23 3HD2 LEU 23 21.519 7.779 2.086
188 H TRP 24 H TRP 24 15.532 6.298 1.130
189 HA TRP 24 HA TRP 24 14.778 4.403 -0.758
190 HB2 TRP 24 1HB TRP 24 15.683 2.412 -0.166
191 HB3 TRP 24 2HB TRP 24 16.946 3.418 0.538
192 HD1 TRP 24 HD1 TRP 24 13.937 1.264 1.527
193 HE1 TRP 24 HE1 TRP 24 14.097 0.736 4.042
194 HE3 TRP 24 HE3 TRP 24 17.889 4.273 2.736
195 HZ2 TRP 24 HZ2 TRP 24 15.688 1.496 6.246
196 HZ3 TRP 24 HZ3 TRP 24 18.668 4.316 5.070
197 HH2 TRP 24 HH2 TRP 24 17.588 2.956 6.788
198 H CYS 25 H CYS 25 12.894 2.991 0.031
199 HA CYS 25 HA CYS 25 11.804 3.944 2.627
200 HB2 CYS 25 1HB CYS 25 10.887 4.924 0.177
201 HB3 CYS 25 2HB CYS 25 9.705 3.710 0.680
202 H ARG 26 H ARG 26 11.065 2.412 3.874
203 HA ARG 26 HA ARG 26 9.982 -0.070 3.011
204 HB2 ARG 26 1HB ARG 26 12.714 -0.086 2.978
205 HB3 ARG 26 2HB ARG 26 12.382 -0.661 4.606
206 HG2 ARG 26 1HG ARG 26 11.040 -1.869 2.215
207 HG3 ARG 26 2HG ARG 26 12.637 -2.394 2.751
208 HD2 ARG 26 1HD ARG 26 11.252 -2.431 5.088
209 HD3 ARG 26 2HD ARG 26 9.990 -2.864 3.936
210 HE ARG 26 HE ARG 26 10.959 -4.914 3.764
211 HH11 ARG 26 1HH1 ARG 26 13.370 -2.650 4.852
212 HH12 ARG 26 2HH1 ARG 26 14.601 -3.853 5.046
213 HH21 ARG 26 1HH2 ARG 26 12.572 -6.508 4.016
214 HH22 ARG 26 2HH2 ARG 26 14.146 -6.047 4.570
215 H LYS 27 H LYS 27 9.145 -1.323 4.744
216 HA LYS 27 HA LYS 27 8.041 0.062 6.842
217 HB2 LYS 27 1HB LYS 27 8.362 -2.745 6.114
218 HB3 LYS 27 2HB LYS 27 8.296 -2.507 7.855
219 HG2 LYS 27 1HG LYS 27 6.249 -1.466 5.909
220 HG3 LYS 27 2HG LYS 27 6.093 -2.957 6.841
221 HD2 LYS 27 1HD LYS 27 6.533 -1.413 8.886
222 HD3 LYS 27 2HD LYS 27 6.060 -0.117 7.785
223 HE2 LYS 27 1HE LYS 27 3.897 -0.690 7.866
224 HE3 LYS 27 2HE LYS 27 4.255 -2.409 7.726
225 HZ1 LYS 27 1HZ LYS 27 3.477 -2.401 9.828
226 HZ2 LYS 27 2HZ LYS 27 3.875 -0.781 10.108
227 HZ3 LYS 27 3HZ LYS 27 5.071 -1.974 10.200
228 H GLU 28 H GLU 28 8.518 0.369 9.007
229 HA GLU 28 HA GLU 28 11.253 0.697 9.660
230 HB2 GLU 28 1HB GLU 28 10.473 1.401 11.843
231 HB3 GLU 28 2HB GLU 28 9.443 2.096 10.599
232 HG2 GLU 28 1HG GLU 28 7.968 -0.011 11.066
233 HG3 GLU 28 2HG GLU 28 8.835 -0.020 12.601
234 H ILE 29 H ILE 29 12.407 -0.294 11.437
235 HA ILE 29 HA ILE 29 11.615 -3.102 11.863
236 HB ILE 29 HB ILE 29 14.425 -2.001 11.752
237 HG12 ILE 29 1HG1 ILE 29 13.343 -2.025 9.541
238 HG13 ILE 29 2HG1 ILE 29 14.623 -3.229 9.641
239 HG21 ILE 29 1HG2 ILE 29 14.917 -3.838 12.916
240 HG22 ILE 29 2HG2 ILE 29 13.297 -4.499 12.705
241 HG23 ILE 29 3HG2 ILE 29 14.517 -4.744 11.456
242 HD11 ILE 29 1HD1 ILE 29 12.251 -4.511 10.430
243 HD12 ILE 29 2HD1 ILE 29 11.874 -3.574 8.984
244 HD13 ILE 29 3HD1 ILE 29 13.184 -4.754 8.954
245 HXT ILE 29 HXT ILE 29 12.082 -3.855 13.857
Start of MODEL 8
1 H1 TYR 1 1H TYR 1 -0.706 4.911 -3.197
2 H2 TYR 1 2H TYR 1 0.864 5.179 -3.343
3 H3 TYR 1 3H TYR 1 0.273 3.646 -3.196
4 HA TYR 1 HA TYR 1 0.178 5.590 -1.075
5 HB2 TYR 1 1HB TYR 1 -0.073 2.576 -1.143
6 HB3 TYR 1 2HB TYR 1 -0.084 3.560 0.315
7 HD1 TYR 1 HD1 TYR 1 -1.937 2.859 -2.817
8 HD2 TYR 1 HD2 TYR 1 -2.069 4.598 1.064
9 HE1 TYR 1 HE1 TYR 1 -4.372 3.130 -3.028
10 HE2 TYR 1 HE2 TYR 1 -4.505 4.872 0.865
11 HH TYR 1 HH TYR 1 -6.222 3.939 -2.099
12 H CYS 2 H CYS 2 1.838 2.531 -1.853
13 HA CYS 2 HA CYS 2 4.215 3.474 -0.476
14 HB2 CYS 2 1HB CYS 2 3.739 0.828 -1.860
15 HB3 CYS 2 2HB CYS 2 5.047 1.210 -0.747
16 H GLN 3 H GLN 3 6.252 2.275 -1.827
17 HA GLN 3 HA GLN 3 6.204 3.515 -4.496
18 HB2 GLN 3 1HB GLN 3 8.385 4.423 -4.190
19 HB3 GLN 3 2HB GLN 3 7.435 4.895 -2.787
20 HG2 GLN 3 1HG GLN 3 9.514 2.729 -2.942
21 HG3 GLN 3 2HG GLN 3 9.604 4.245 -2.048
22 HE21 GLN 3 1HE2 GLN 3 9.528 1.205 -1.433
23 HE22 GLN 3 2HE2 GLN 3 8.451 1.117 -0.087
24 H LYS 4 H LYS 4 5.637 0.900 -4.286
25 HA LYS 4 HA LYS 4 6.220 -1.039 -5.364
26 HB2 LYS 4 1HB LYS 4 7.948 0.681 -6.505
27 HB3 LYS 4 2HB LYS 4 9.090 -0.340 -5.641
28 HG2 LYS 4 1HG LYS 4 7.348 -2.120 -6.877
29 HG3 LYS 4 2HG LYS 4 7.632 -0.854 -8.075
30 HD2 LYS 4 1HD LYS 4 10.080 -1.129 -7.676
31 HD3 LYS 4 2HD LYS 4 9.706 -2.506 -6.637
32 HE2 LYS 4 1HE LYS 4 8.313 -2.859 -9.079
33 HE3 LYS 4 2HE LYS 4 9.977 -2.425 -9.471
34 HZ1 LYS 4 1HZ LYS 4 9.338 -4.892 -9.062
35 HZ2 LYS 4 2HZ LYS 4 9.468 -4.476 -7.428
36 HZ3 LYS 4 3HZ LYS 4 10.799 -4.293 -8.456
37 H TRP 5 H TRP 5 7.828 0.283 -2.678
38 HA TRP 5 HA TRP 5 8.560 -0.678 -0.742
39 HB2 TRP 5 1HB TRP 5 6.923 -2.675 -1.887
40 HB3 TRP 5 2HB TRP 5 8.398 -3.482 -1.361
41 HD1 TRP 5 HD1 TRP 5 9.082 -2.320 1.334
42 HE1 TRP 5 HE1 TRP 5 7.495 -2.440 3.356
43 HE3 TRP 5 HE3 TRP 5 4.665 -3.019 -1.142
44 HZ2 TRP 5 HZ2 TRP 5 4.736 -2.787 3.838
45 HZ3 TRP 5 HZ3 TRP 5 2.597 -3.236 0.174
46 HH2 TRP 5 HH2 TRP 5 2.633 -3.122 2.611
47 H NLE 6 H NLE 6 10.515 -0.955 -0.090
48 HA NLE 6 HA NLE 6 12.916 -1.287 -0.143
49 HB2 NLE 6 1HB NLE 6 11.767 -3.592 -1.625
50 HB3 NLE 6 2HB NLE 6 13.423 -3.226 -2.098
51 HG2 NLE 6 1HG NLE 6 12.525 -3.589 0.847
52 HG3 NLE 6 2HG NLE 6 13.150 -4.908 -0.135
53 HD2 NLE 6 1HD NLE 6 15.205 -3.089 -0.517
54 HD3 NLE 6 2HD NLE 6 14.637 -2.552 1.068
55 HE1 NLE 6 1HE NLE 6 15.386 -5.341 0.348
56 HE2 NLE 6 2HE NLE 6 16.277 -4.270 1.265
57 HE3 NLE 6 3HE NLE 6 14.829 -4.851 1.852
58 H TRP 7 H TRP 7 11.197 0.331 -2.357
59 HA TRP 7 HA TRP 7 13.522 0.929 -4.069
60 HB2 TRP 7 1HB TRP 7 11.899 0.155 -5.559
61 HB3 TRP 7 2HB TRP 7 10.579 0.894 -4.657
62 HD1 TRP 7 HD1 TRP 7 9.947 3.387 -5.230
63 HE1 TRP 7 HE1 TRP 7 10.653 4.994 -7.113
64 HE3 TRP 7 HE3 TRP 7 13.957 0.791 -7.052
65 HZ2 TRP 7 HZ2 TRP 7 12.644 5.140 -9.108
66 HZ3 TRP 7 HZ3 TRP 7 15.208 1.734 -8.949
67 HH2 TRP 7 HH2 TRP 7 14.563 3.862 -9.955
68 H THR 8 H THR 8 13.923 3.123 -4.591
69 HA THR 8 HA THR 8 13.487 4.922 -2.434
70 HB THR 8 HB THR 8 14.638 6.593 -3.851
71 HG1 THR 8 HG1 THR 8 15.520 5.486 -5.888
72 HG21 THR 8 1HG2 THR 8 15.745 4.523 -2.590
73 HG22 THR 8 2HG2 THR 8 16.703 5.674 -3.524
74 HG23 THR 8 3HG2 THR 8 16.246 4.126 -4.234
75 H CYS 9 H CYS 9 11.466 5.455 -2.093
76 HA CYS 9 HA CYS 9 9.218 6.243 -3.315
77 HB2 CYS 9 1HB CYS 9 9.177 8.122 -1.713
78 HB3 CYS 9 2HB CYS 9 9.793 6.593 -1.056
79 H ASP 10 H ASP 10 8.355 8.061 -4.512
80 HA ASP 10 HA ASP 10 8.428 10.191 -5.392
81 HB2 ASP 10 1HB ASP 10 10.546 10.349 -3.745
82 HB3 ASP 10 2HB ASP 10 11.389 10.412 -5.291
83 H SER 11 H SER 11 11.313 8.288 -6.275
84 HA SER 11 HA SER 11 11.313 9.149 -8.982
85 HB2 SER 11 1HB SER 11 13.329 8.284 -7.824
86 HB3 SER 11 2HB SER 11 12.596 6.681 -7.785
87 HG SER 11 HG SER 11 13.972 7.836 -9.761
88 H LYS 12 H LYS 12 9.245 7.126 -7.348
89 HA LYS 12 HA LYS 12 8.393 5.858 -9.863
90 HB2 LYS 12 1HB LYS 12 9.464 4.128 -8.566
91 HB3 LYS 12 2HB LYS 12 8.549 4.577 -7.131
92 HG2 LYS 12 1HG LYS 12 7.222 2.881 -7.734
93 HG3 LYS 12 2HG LYS 12 6.542 4.049 -8.869
94 HD2 LYS 12 1HD LYS 12 6.989 2.217 -10.223
95 HD3 LYS 12 2HD LYS 12 8.414 3.232 -10.459
96 HE2 LYS 12 1HE LYS 12 9.706 1.889 -8.972
97 HE3 LYS 12 2HE LYS 12 8.280 0.999 -8.441
98 HZ1 LYS 12 1HZ LYS 12 8.584 0.828 -11.256
99 HZ2 LYS 12 2HZ LYS 12 8.519 -0.417 -10.112
100 HZ3 LYS 12 3HZ LYS 12 9.998 0.315 -10.483
101 H ARG 13 H ARG 13 7.517 7.076 -6.682
102 HA ARG 13 HA ARG 13 5.083 8.173 -7.572
103 HB2 ARG 13 1HB ARG 13 3.723 6.596 -5.919
104 HB3 ARG 13 2HB ARG 13 3.932 6.202 -7.620
105 HG2 ARG 13 1HG ARG 13 6.133 5.039 -6.567
106 HG3 ARG 13 2HG ARG 13 4.996 4.878 -5.228
107 HD2 ARG 13 1HD ARG 13 4.297 4.095 -8.045
108 HD3 ARG 13 2HD ARG 13 5.062 2.978 -6.917
109 HE ARG 13 HE ARG 13 2.814 4.063 -5.667
110 HH11 ARG 13 1HH1 ARG 13 3.595 1.990 -8.352
111 HH12 ARG 13 2HH1 ARG 13 2.115 1.094 -8.261
112 HH21 ARG 13 1HH2 ARG 13 0.861 2.892 -5.535
113 HH22 ARG 13 2HH2 ARG 13 0.560 1.609 -6.658
114 H ALA 14 H ALA 14 5.653 6.495 -4.501
115 HA ALA 14 HA ALA 14 6.720 8.631 -3.059
116 HB1 ALA 14 1HB ALA 14 4.841 9.955 -3.263
117 HB2 ALA 14 2HB ALA 14 3.737 8.580 -3.205
118 HB3 ALA 14 3HB ALA 14 4.538 9.130 -1.734
119 H CYS 15 H CYS 15 6.790 8.270 -0.749
120 HA CYS 15 HA CYS 15 7.023 5.526 0.051
121 HB2 CYS 15 1HB CYS 15 6.906 8.108 1.615
122 HB3 CYS 15 2HB CYS 15 7.107 6.537 2.394
123 H CYS 16 H CYS 16 5.824 4.334 1.537
124 HA CYS 16 HA CYS 16 3.014 4.929 1.595
125 HB2 CYS 16 1HB CYS 16 4.642 2.637 1.979
126 HB3 CYS 16 2HB CYS 16 3.713 2.868 3.456
127 H GLU 17 H GLU 17 2.024 4.319 4.019
128 HA GLU 17 HA GLU 17 2.740 6.633 5.676
129 HB2 GLU 17 1HB GLU 17 0.782 4.354 6.171
130 HB3 GLU 17 2HB GLU 17 0.943 5.813 7.150
131 HG2 GLU 17 1HG GLU 17 0.051 5.687 4.234
132 HG3 GLU 17 2HG GLU 17 -0.978 5.955 5.633
133 H GLY 18 H GLY 18 4.480 6.564 6.924
134 HA2 GLY 18 1HA GLY 18 5.477 5.868 8.990
135 HA3 GLY 18 2HA GLY 18 4.978 4.221 8.631
136 H LEU 19 H LEU 19 5.917 4.477 5.823
137 HA LEU 19 HA LEU 19 8.421 3.324 6.068
138 HB2 LEU 19 1HB LEU 19 6.717 4.225 3.944
139 HB3 LEU 19 2HB LEU 19 8.390 4.643 3.584
140 HG LEU 19 HG LEU 19 9.048 2.332 3.713
141 HD11 LEU 19 1HD1 LEU 19 7.373 0.559 4.097
142 HD12 LEU 19 2HD1 LEU 19 6.194 1.800 4.520
143 HD13 LEU 19 3HD1 LEU 19 7.634 1.579 5.513
144 HD21 LEU 19 1HD2 LEU 19 6.615 1.937 2.129
145 HD22 LEU 19 2HD2 LEU 19 8.311 1.832 1.655
146 HD23 LEU 19 3HD2 LEU 19 7.514 3.404 1.739
147 H ARG 20 H ARG 20 10.412 4.310 4.837
148 HA ARG 20 HA ARG 20 10.831 7.060 5.804
149 HB2 ARG 20 1HB ARG 20 13.212 6.376 6.253
150 HB3 ARG 20 2HB ARG 20 12.017 5.660 7.325
151 HG2 ARG 20 1HG ARG 20 12.343 3.910 5.127
152 HG3 ARG 20 2HG ARG 20 13.950 4.372 5.694
153 HD2 ARG 20 1HD ARG 20 13.090 3.840 8.035
154 HD3 ARG 20 2HD ARG 20 11.726 3.061 7.233
155 HE ARG 20 HE ARG 20 13.103 1.324 6.639
156 HH11 ARG 20 1HH1 ARG 20 15.028 4.001 7.760
157 HH12 ARG 20 2HH1 ARG 20 16.505 3.094 7.793
158 HH21 ARG 20 1HH2 ARG 20 15.041 0.119 6.680
159 HH22 ARG 20 2HH2 ARG 20 16.511 0.887 7.178
160 H CYS 21 H CYS 21 10.861 8.252 4.017
161 HA CYS 21 HA CYS 21 11.572 7.325 1.437
162 HB2 CYS 21 1HB CYS 21 10.126 9.342 2.238
163 HB3 CYS 21 2HB CYS 21 11.620 10.222 2.335
164 H LYS 22 H LYS 22 13.190 9.505 0.556
165 HA LYS 22 HA LYS 22 15.328 10.323 0.480
166 HB2 LYS 22 1HB LYS 22 15.969 8.804 3.002
167 HB3 LYS 22 2HB LYS 22 16.760 10.240 2.364
168 HG2 LYS 22 1HG LYS 22 14.330 11.254 2.696
169 HG3 LYS 22 2HG LYS 22 14.252 9.980 3.915
170 HD2 LYS 22 1HD LYS 22 16.727 11.576 3.911
171 HD3 LYS 22 2HD LYS 22 15.261 12.455 4.355
172 HE2 LYS 22 1HE LYS 22 14.902 10.257 5.832
173 HE3 LYS 22 2HE LYS 22 16.663 10.253 5.758
174 HZ1 LYS 22 1HZ LYS 22 14.902 12.382 6.825
175 HZ2 LYS 22 2HZ LYS 22 16.545 12.627 6.512
176 HZ3 LYS 22 3HZ LYS 22 16.064 11.482 7.660
177 H LEU 23 H LEU 23 17.435 8.429 1.845
178 HA LEU 23 HA LEU 23 18.621 7.296 -0.254
179 HB2 LEU 23 1HB LEU 23 18.217 5.879 2.376
180 HB3 LEU 23 2HB LEU 23 19.477 5.523 1.196
181 HG LEU 23 HG LEU 23 19.350 8.280 2.305
182 HD11 LEU 23 1HD1 LEU 23 19.080 6.502 4.176
183 HD12 LEU 23 2HD1 LEU 23 20.287 7.775 4.352
184 HD13 LEU 23 3HD1 LEU 23 20.779 6.159 3.849
185 HD21 LEU 23 1HD2 LEU 23 21.250 8.349 1.159
186 HD22 LEU 23 2HD2 LEU 23 21.169 6.619 0.826
187 HD23 LEU 23 3HD2 LEU 23 21.937 7.200 2.306
188 H TRP 24 H TRP 24 15.929 5.780 1.499
189 HA TRP 24 HA TRP 24 14.782 4.638 -0.789
190 HB2 TRP 24 1HB TRP 24 15.486 2.436 -0.835
191 HB3 TRP 24 2HB TRP 24 16.980 3.256 -0.395
192 HD1 TRP 24 HD1 TRP 24 14.305 0.937 1.037
193 HE1 TRP 24 HE1 TRP 24 15.176 -0.068 3.240
194 HE3 TRP 24 HE3 TRP 24 18.565 3.713 1.568
195 HZ2 TRP 24 HZ2 TRP 24 17.379 0.270 4.974
196 HZ3 TRP 24 HZ3 TRP 24 19.998 3.311 3.526
197 HH2 TRP 24 HH2 TRP 24 19.415 1.626 5.193
198 H CYS 25 H CYS 25 12.830 3.521 -0.370
199 HA CYS 25 HA CYS 25 11.859 4.020 2.365
200 HB2 CYS 25 1HB CYS 25 10.798 4.706 -0.145
201 HB3 CYS 25 2HB CYS 25 9.729 3.499 0.622
202 H ARG 26 H ARG 26 11.111 2.634 3.766
203 HA ARG 26 HA ARG 26 10.783 -0.125 3.131
204 HB2 ARG 26 1HB ARG 26 13.427 0.727 3.698
205 HB3 ARG 26 2HB ARG 26 12.864 -0.177 5.096
206 HG2 ARG 26 1HG ARG 26 12.921 -1.142 2.245
207 HG3 ARG 26 2HG ARG 26 13.992 -1.647 3.554
208 HD2 ARG 26 1HD ARG 26 11.008 -2.071 3.429
209 HD3 ARG 26 2HD ARG 26 12.245 -3.300 3.166
210 HE ARG 26 HE ARG 26 12.426 -1.994 5.722
211 HH11 ARG 26 1HH1 ARG 26 10.965 -4.591 3.924
212 HH12 ARG 26 2HH1 ARG 26 10.656 -5.561 5.326
213 HH21 ARG 26 1HH2 ARG 26 12.025 -3.261 7.575
214 HH22 ARG 26 2HH2 ARG 26 11.259 -4.802 7.402
215 H LYS 27 H LYS 27 9.909 -1.321 4.848
216 HA LYS 27 HA LYS 27 8.278 0.015 6.627
217 HB2 LYS 27 1HB LYS 27 9.166 -2.751 6.244
218 HB3 LYS 27 2HB LYS 27 8.728 -2.381 7.907
219 HG2 LYS 27 1HG LYS 27 6.915 -1.683 5.627
220 HG3 LYS 27 2HG LYS 27 6.914 -3.292 6.355
221 HD2 LYS 27 1HD LYS 27 6.483 -2.247 8.558
222 HD3 LYS 27 2HD LYS 27 6.382 -0.674 7.762
223 HE2 LYS 27 1HE LYS 27 4.173 -1.185 7.752
224 HE3 LYS 27 2HE LYS 27 4.626 -2.012 6.262
225 HZ1 LYS 27 1HZ LYS 27 3.245 -3.312 7.906
226 HZ2 LYS 27 2HZ LYS 27 4.621 -3.381 8.887
227 HZ3 LYS 27 3HZ LYS 27 4.647 -4.076 7.347
228 H GLU 28 H GLU 28 8.377 0.549 8.799
229 HA GLU 28 HA GLU 28 11.095 0.655 9.923
230 HB2 GLU 28 1HB GLU 28 9.108 2.658 9.595
231 HB3 GLU 28 2HB GLU 28 9.292 2.376 11.319
232 HG2 GLU 28 1HG GLU 28 11.871 2.508 10.623
233 HG3 GLU 28 2HG GLU 28 11.176 3.540 9.373
234 H ILE 29 H ILE 29 7.689 0.136 10.768
235 HA ILE 29 HA ILE 29 8.599 -1.456 13.074
236 HB ILE 29 HB ILE 29 7.611 0.667 13.842
237 HG12 ILE 29 1HG1 ILE 29 5.765 -1.655 14.422
238 HG13 ILE 29 2HG1 ILE 29 7.372 -1.492 15.121
239 HG21 ILE 29 1HG2 ILE 29 6.076 0.886 11.858
240 HG22 ILE 29 2HG2 ILE 29 5.018 -0.284 12.648
241 HG23 ILE 29 3HG2 ILE 29 5.355 1.264 13.421
242 HD11 ILE 29 1HD1 ILE 29 6.400 0.873 15.822
243 HD12 ILE 29 2HD1 ILE 29 4.881 -0.018 15.717
244 HD13 ILE 29 3HD1 ILE 29 6.160 -0.578 16.795
245 HXT ILE 29 HXT ILE 29 7.524 -3.267 13.291
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