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 |
|
|
9169 |
1ngl   |
4267 | cing | 1-original | 1 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
1 1H MET 1 1H MET 1 168.072 -19.907 -21.847
2 2H MET 1 2H MET 1 169.007 -18.545 -21.462
3 3H MET 1 3H MET 1 167.834 -19.105 -20.368
4 HA MET 1 HA MET 1 166.053 -18.442 -21.776
5 1HB MET 1 1HB MET 1 168.309 -16.417 -21.581
6 2HB MET 1 2HB MET 1 166.617 -16.002 -21.859
7 1HG MET 1 1HG MET 1 165.999 -17.070 -19.723
8 2HG MET 1 2HG MET 1 167.689 -17.484 -19.440
9 1HE MET 1 1HE MET 1 165.891 -16.140 -17.523
10 2HE MET 1 2HE MET 1 167.578 -16.080 -16.994
11 3HE MET 1 3HE MET 1 166.584 -14.626 -16.948
12 H GLN 2 H GLN 2 166.883 -16.124 -23.641
13 HA GLN 2 HA GLN 2 167.102 -15.837 -25.974
14 1HB GLN 2 1HB GLN 2 168.914 -18.197 -25.403
15 2HB GLN 2 2HB GLN 2 168.836 -17.410 -26.979
16 1HG GLN 2 1HG GLN 2 169.557 -15.307 -26.047
17 2HG GLN 2 2HG GLN 2 169.420 -15.930 -24.402
18 1HE2 GLN 2 2HE2 GLN 2 170.762 -17.848 -27.080
19 2HE2 GLN 2 1HE2 GLN 2 172.352 -17.878 -26.485
20 H ASP 3 H ASP 3 164.843 -17.344 -25.028
21 HA ASP 3 HA ASP 3 164.191 -18.819 -27.501
22 1HB ASP 3 1HB ASP 3 165.311 -20.177 -25.398
23 2HB ASP 3 2HB ASP 3 163.593 -20.327 -25.025
24 H SER 4 H SER 4 161.765 -19.702 -27.133
25 HA SER 4 HA SER 4 160.010 -17.562 -26.778
26 1HB SER 4 1HB SER 4 159.359 -19.713 -27.713
27 2HB SER 4 2HB SER 4 159.674 -20.520 -26.180
28 HG SER 4 HG SER 4 157.428 -19.982 -26.599
29 H THR 5 H THR 5 159.420 -16.378 -25.007
30 HA THR 5 HA THR 5 159.898 -17.551 -22.286
31 HB THR 5 HB THR 5 160.724 -15.239 -21.713
32 HG1 THR 5 HG1 THR 5 161.179 -13.887 -23.482
33 1HG2 THR 5 1HG2 THR 5 162.007 -17.305 -23.166
34 2HG2 THR 5 2HG2 THR 5 162.562 -15.781 -23.858
35 3HG2 THR 5 3HG2 THR 5 162.760 -16.090 -22.133
36 H SER 6 H SER 6 158.981 -15.421 -20.780
37 HA SER 6 HA SER 6 156.073 -15.541 -21.421
38 1HB SER 6 1HB SER 6 156.000 -14.975 -18.907
39 2HB SER 6 2HB SER 6 156.652 -16.549 -19.351
40 HG SER 6 HG SER 6 157.836 -14.569 -18.026
41 H ASP 7 H ASP 7 156.471 -13.641 -22.958
42 HA ASP 7 HA ASP 7 156.202 -11.089 -21.409
43 1HB ASP 7 1HB ASP 7 158.116 -11.784 -23.344
44 2HB ASP 7 2HB ASP 7 156.954 -10.779 -24.210
45 H LEU 8 H LEU 8 154.254 -13.116 -22.237
46 HA LEU 8 HA LEU 8 152.905 -12.476 -24.650
47 1HB LEU 8 1HB LEU 8 151.919 -13.732 -22.069
48 2HB LEU 8 2HB LEU 8 151.136 -13.894 -23.641
49 HG LEU 8 HG LEU 8 154.029 -14.659 -23.248
50 1HD1 LEU 8 1HD1 LEU 8 151.742 -15.915 -22.059
51 2HD1 LEU 8 2HD1 LEU 8 152.366 -16.969 -23.328
52 3HD1 LEU 8 3HD1 LEU 8 153.424 -16.443 -22.020
53 1HD2 LEU 8 1HD2 LEU 8 153.168 -14.386 -25.552
54 2HD2 LEU 8 2HD2 LEU 8 153.551 -16.073 -25.213
55 3HD2 LEU 8 3HD2 LEU 8 151.873 -15.530 -25.200
56 H ILE 9 H ILE 9 152.300 -11.368 -21.318
57 HA ILE 9 HA ILE 9 149.732 -10.322 -21.720
58 HB ILE 9 HB ILE 9 151.978 -9.553 -19.839
59 1HG1 ILE 9 1HG1 ILE 9 149.478 -11.125 -19.219
60 2HG1 ILE 9 2HG1 ILE 9 150.896 -11.918 -19.907
61 1HG2 ILE 9 1HG2 ILE 9 149.557 -8.158 -20.319
62 2HG2 ILE 9 2HG2 ILE 9 149.341 -9.032 -18.803
63 3HG2 ILE 9 3HG2 ILE 9 150.690 -7.912 -18.992
64 1HD1 ILE 9 1HD1 ILE 9 152.095 -10.506 -17.945
65 2HD1 ILE 9 2HD1 ILE 9 150.511 -10.739 -17.205
66 3HD1 ILE 9 3HD1 ILE 9 151.468 -12.136 -17.697
67 HA PRO 10 HA PRO 10 150.574 -6.599 -23.978
68 1HB PRO 10 1HB PRO 10 147.998 -5.701 -24.048
69 2HB PRO 10 2HB PRO 10 148.566 -7.051 -25.048
70 1HG PRO 10 1HG PRO 10 146.878 -7.079 -22.636
71 2HG PRO 10 2HG PRO 10 146.954 -8.228 -23.977
72 1HD PRO 10 1HD PRO 10 148.110 -8.526 -21.421
73 2HD PRO 10 2HD PRO 10 148.374 -9.561 -22.839
74 H ALA 11 H ALA 11 149.592 -4.153 -23.619
75 HA ALA 11 HA ALA 11 150.483 -3.258 -21.017
76 1HB ALA 11 1HB ALA 11 150.531 -1.952 -23.142
77 2HB ALA 11 2HB ALA 11 148.768 -1.895 -23.124
78 3HB ALA 11 3HB ALA 11 149.690 -1.086 -21.856
79 HA PRO 12 HA PRO 12 146.620 -4.214 -18.994
80 1HB PRO 12 1HB PRO 12 147.343 -3.287 -16.525
81 2HB PRO 12 2HB PRO 12 147.884 -4.848 -17.174
82 1HG PRO 12 1HG PRO 12 149.342 -2.264 -17.006
83 2HG PRO 12 2HG PRO 12 149.939 -3.916 -16.787
84 1HD PRO 12 1HD PRO 12 150.303 -2.442 -19.069
85 2HD PRO 12 2HD PRO 12 150.294 -4.219 -19.020
86 HA PRO 13 HA PRO 13 144.905 -0.127 -19.429
87 1HB PRO 13 1HB PRO 13 142.296 -0.873 -19.136
88 2HB PRO 13 2HB PRO 13 143.213 -1.113 -20.633
89 1HG PRO 13 1HG PRO 13 142.478 -3.066 -18.531
90 2HG PRO 13 2HG PRO 13 142.657 -3.297 -20.275
91 1HD PRO 13 1HD PRO 13 144.521 -4.043 -18.369
92 2HD PRO 13 2HD PRO 13 144.863 -3.800 -20.095
93 H LEU 14 H LEU 14 143.195 1.162 -18.140
94 HA LEU 14 HA LEU 14 143.959 1.246 -15.357
95 1HB LEU 14 1HB LEU 14 142.795 3.258 -15.445
96 2HB LEU 14 2HB LEU 14 143.162 3.023 -17.146
97 HG LEU 14 HG LEU 14 140.784 1.637 -16.841
98 1HD1 LEU 14 1HD1 LEU 14 140.846 4.062 -15.039
99 2HD1 LEU 14 2HD1 LEU 14 139.341 3.476 -15.750
100 3HD1 LEU 14 3HD1 LEU 14 140.268 2.438 -14.666
101 1HD2 LEU 14 1HD2 LEU 14 141.663 4.257 -17.936
102 2HD2 LEU 14 2HD2 LEU 14 140.840 2.921 -18.740
103 3HD2 LEU 14 3HD2 LEU 14 139.923 4.045 -17.738
104 H SER 15 H SER 15 141.893 -0.852 -16.914
105 HA SER 15 HA SER 15 139.458 -0.851 -15.621
106 1HB SER 15 1HB SER 15 139.887 -2.395 -17.376
107 2HB SER 15 2HB SER 15 141.276 -3.077 -16.534
108 HG SER 15 HG SER 15 139.100 -4.208 -16.500
109 H LYS 16 H LYS 16 142.520 -1.832 -14.275
110 HA LYS 16 HA LYS 16 141.217 -2.779 -11.767
111 1HB LYS 16 1HB LYS 16 143.449 -3.465 -11.169
112 2HB LYS 16 2HB LYS 16 143.149 -3.993 -12.820
113 1HG LYS 16 1HG LYS 16 144.379 -2.065 -13.686
114 2HG LYS 16 2HG LYS 16 144.611 -1.452 -12.048
115 1HD LYS 16 1HD LYS 16 145.484 -4.239 -12.411
116 2HD LYS 16 2HD LYS 16 146.395 -3.073 -13.370
117 1HE LYS 16 1HE LYS 16 147.601 -2.857 -11.420
118 2HE LYS 16 2HE LYS 16 146.273 -1.767 -10.972
119 1HZ LYS 16 1HZ LYS 16 146.145 -4.700 -10.559
120 2HZ LYS 16 2HZ LYS 16 146.728 -3.639 -9.366
121 3HZ LYS 16 3HZ LYS 16 145.124 -3.511 -9.910
122 H VAL 17 H VAL 17 141.248 0.041 -12.758
123 HA VAL 17 HA VAL 17 142.659 1.353 -10.468
124 HB VAL 17 HB VAL 17 142.774 2.218 -13.363
125 1HG1 VAL 17 1HG1 VAL 17 143.524 3.512 -11.063
126 2HG1 VAL 17 2HG1 VAL 17 145.024 2.707 -11.525
127 3HG1 VAL 17 3HG1 VAL 17 144.228 3.806 -12.653
128 1HG2 VAL 17 1HG2 VAL 17 143.635 -0.089 -13.185
129 2HG2 VAL 17 2HG2 VAL 17 144.950 1.050 -13.487
130 3HG2 VAL 17 3HG2 VAL 17 144.696 0.407 -11.865
131 HA PRO 18 HA PRO 18 138.647 3.469 -11.830
132 1HB PRO 18 1HB PRO 18 136.734 2.257 -10.298
133 2HB PRO 18 2HB PRO 18 137.138 1.724 -11.941
134 1HG PRO 18 1HG PRO 18 137.864 0.527 -9.340
135 2HG PRO 18 2HG PRO 18 137.597 -0.243 -10.906
136 1HD PRO 18 1HD PRO 18 140.084 0.286 -9.763
137 2HD PRO 18 2HD PRO 18 139.777 -0.101 -11.468
138 H LEU 19 H LEU 19 137.130 4.726 -10.209
139 HA LEU 19 HA LEU 19 138.580 5.141 -7.622
140 1HB LEU 19 1HB LEU 19 139.214 7.231 -8.267
141 2HB LEU 19 2HB LEU 19 138.906 6.647 -9.898
142 HG LEU 19 HG LEU 19 136.413 7.401 -9.314
143 1HD1 LEU 19 1HD1 LEU 19 137.253 8.045 -6.961
144 2HD1 LEU 19 2HD1 LEU 19 138.034 9.415 -7.750
145 3HD1 LEU 19 3HD1 LEU 19 136.281 9.241 -7.817
146 1HD2 LEU 19 1HD2 LEU 19 138.475 8.373 -10.867
147 2HD2 LEU 19 2HD2 LEU 19 136.832 9.016 -10.857
148 3HD2 LEU 19 3HD2 LEU 19 138.079 9.766 -9.860
149 H GLN 20 H GLN 20 137.299 6.042 -5.944
150 HA GLN 20 HA GLN 20 134.610 5.147 -5.847
151 1HB GLN 20 1HB GLN 20 136.308 5.624 -4.001
152 2HB GLN 20 2HB GLN 20 135.855 7.320 -4.148
153 1HG GLN 20 1HG GLN 20 134.558 6.216 -2.365
154 2HG GLN 20 2HG GLN 20 133.503 6.727 -3.684
155 1HE2 GLN 20 2HE2 GLN 20 132.063 4.921 -2.731
156 2HE2 GLN 20 1HE2 GLN 20 132.333 3.338 -3.280
157 H GLN 21 H GLN 21 132.630 6.258 -5.990
158 HA GLN 21 HA GLN 21 132.386 8.491 -7.772
159 1HB GLN 21 1HB GLN 21 130.521 7.294 -5.698
160 2HB GLN 21 2HB GLN 21 130.022 8.393 -6.984
161 1HG GLN 21 1HG GLN 21 131.543 5.903 -7.687
162 2HG GLN 21 2HG GLN 21 129.816 5.798 -7.346
163 1HE2 GLN 21 2HE2 GLN 21 130.783 8.848 -8.666
164 2HE2 GLN 21 1HE2 GLN 21 130.265 8.566 -10.256
165 H ASN 22 H ASN 22 130.431 9.940 -6.185
166 HA ASN 22 HA ASN 22 132.270 11.858 -4.928
167 1HB ASN 22 1HB ASN 22 129.976 13.065 -4.637
168 2HB ASN 22 2HB ASN 22 130.591 12.823 -6.269
169 1HD2 ASN 22 2HD2 ASN 22 129.185 10.175 -4.322
170 2HD2 ASN 22 1HD2 ASN 22 127.815 9.974 -5.296
171 H PHE 23 H PHE 23 131.867 9.258 -3.533
172 HA PHE 23 HA PHE 23 130.076 9.248 -1.392
173 1HB PHE 23 1HB PHE 23 132.034 7.676 -2.276
174 2HB PHE 23 2HB PHE 23 132.940 8.460 -0.985
175 HD1 PHE 23 HD1 PHE 23 131.715 8.603 1.344
176 HD2 PHE 23 HD2 PHE 23 130.693 5.833 -1.776
177 HE1 PHE 23 HE1 PHE 23 130.574 7.154 3.004
178 HE2 PHE 23 HE2 PHE 23 129.549 4.386 -0.118
179 HZ PHE 23 HZ PHE 23 129.489 5.047 2.272
180 H GLN 24 H GLN 24 130.252 10.028 0.830
181 HA GLN 24 HA GLN 24 131.678 12.630 0.941
182 1HB GLN 24 1HB GLN 24 129.882 11.835 3.141
183 2HB GLN 24 2HB GLN 24 129.913 13.322 2.200
184 1HG GLN 24 1HG GLN 24 128.664 10.683 1.442
185 2HG GLN 24 2HG GLN 24 127.867 12.228 1.692
186 1HE2 GLN 24 2HE2 GLN 24 128.601 10.241 -0.753
187 2HE2 GLN 24 1HE2 GLN 24 128.954 11.353 -1.982
188 H ASP 25 H ASP 25 132.792 13.280 2.818
189 HA ASP 25 HA ASP 25 134.487 11.271 4.044
190 1HB ASP 25 1HB ASP 25 135.096 13.425 5.440
191 2HB ASP 25 2HB ASP 25 135.547 13.328 3.750
192 H ASN 26 H ASN 26 131.765 13.208 5.056
193 HA ASN 26 HA ASN 26 132.050 12.935 7.825
194 1HB ASN 26 1HB ASN 26 129.907 13.933 7.903
195 2HB ASN 26 2HB ASN 26 130.550 14.436 6.340
196 1HD2 ASN 26 2HD2 ASN 26 129.605 13.497 4.405
197 2HD2 ASN 26 1HD2 ASN 26 128.170 12.592 4.459
198 H GLN 27 H GLN 27 130.702 10.630 5.536
199 HA GLN 27 HA GLN 27 129.804 8.935 7.838
200 1HB GLN 27 1HB GLN 27 127.974 9.387 6.424
201 2HB GLN 27 2HB GLN 27 128.960 9.265 4.967
202 1HG GLN 27 1HG GLN 27 129.198 6.883 5.250
203 2HG GLN 27 2HG GLN 27 128.393 6.941 6.817
204 1HE2 GLN 27 2HE2 GLN 27 127.386 5.321 4.660
205 2HE2 GLN 27 1HE2 GLN 27 125.893 5.962 4.170
206 H PHE 28 H PHE 28 132.040 9.217 5.261
207 HA PHE 28 HA PHE 28 132.523 6.441 4.735
208 1HB PHE 28 1HB PHE 28 133.120 8.379 3.280
209 2HB PHE 28 2HB PHE 28 134.366 8.826 4.447
210 HD1 PHE 28 HD1 PHE 28 136.367 7.429 4.757
211 HD2 PHE 28 HD2 PHE 28 133.340 6.397 1.890
212 HE1 PHE 28 HE1 PHE 28 137.913 5.794 3.712
213 HE2 PHE 28 HE2 PHE 28 134.881 4.765 0.848
214 HZ PHE 28 HZ PHE 28 137.170 4.460 1.757
215 H GLN 29 H GLN 29 133.744 8.654 7.124
216 HA GLN 29 HA GLN 29 136.174 7.420 7.803
217 1HB GLN 29 1HB GLN 29 135.886 8.654 9.927
218 2HB GLN 29 2HB GLN 29 135.371 9.635 8.559
219 1HG GLN 29 1HG GLN 29 133.325 9.837 9.466
220 2HG GLN 29 2HG GLN 29 133.133 8.084 9.438
221 1HE2 GLN 29 2HE2 GLN 29 135.185 7.355 11.289
222 2HE2 GLN 29 1HE2 GLN 29 134.761 7.945 12.824
223 H GLY 30 H GLY 30 136.588 5.409 8.627
224 1HA GLY 30 1HA GLY 30 134.830 4.173 10.626
225 2HA GLY 30 2HA GLY 30 134.749 3.438 9.044
226 H LYS 31 H LYS 31 135.606 1.491 10.006
227 HA LYS 31 HA LYS 31 138.568 1.575 10.501
228 1HB LYS 31 1HB LYS 31 137.356 1.465 12.610
229 2HB LYS 31 2HB LYS 31 136.345 0.157 11.998
230 1HG LYS 31 1HG LYS 31 138.390 -1.254 11.741
231 2HG LYS 31 2HG LYS 31 139.335 0.035 12.486
232 1HD LYS 31 1HD LYS 31 137.981 -0.116 14.526
233 2HD LYS 31 2HD LYS 31 136.980 -1.365 13.784
234 1HE LYS 31 1HE LYS 31 138.922 -2.863 13.613
235 2HE LYS 31 2HE LYS 31 139.966 -1.605 14.304
236 1HZ LYS 31 1HZ LYS 31 137.516 -2.625 15.633
237 2HZ LYS 31 2HZ LYS 31 139.075 -3.207 15.972
238 3HZ LYS 31 3HZ LYS 31 138.683 -1.585 16.292
239 H TRP 32 H TRP 32 139.333 0.438 8.662
240 HA TRP 32 HA TRP 32 137.734 -1.881 7.665
241 1HB TRP 32 1HB TRP 32 140.328 -0.896 6.511
242 2HB TRP 32 2HB TRP 32 138.971 -1.646 5.699
243 HD1 TRP 32 HD1 TRP 32 140.272 1.154 4.829
244 HE1 TRP 32 HE1 TRP 32 138.732 3.212 4.659
245 HE3 TRP 32 HE3 TRP 32 136.431 -0.357 7.830
246 HZ2 TRP 32 HZ2 TRP 32 136.210 4.093 5.657
247 HZ3 TRP 32 HZ3 TRP 32 134.482 1.112 8.208
248 HH2 TRP 32 HH2 TRP 32 134.366 3.337 7.123
249 H TYR 33 H TYR 33 138.886 -3.864 7.116
250 HA TYR 33 HA TYR 33 141.124 -4.541 9.006
251 1HB TYR 33 1HB TYR 33 138.849 -5.953 7.671
252 2HB TYR 33 2HB TYR 33 140.306 -6.878 8.013
253 HD1 TYR 33 HD1 TYR 33 138.743 -4.037 9.864
254 HD2 TYR 33 HD2 TYR 33 139.846 -8.190 9.916
255 HE1 TYR 33 HE1 TYR 33 138.088 -4.182 12.254
256 HE2 TYR 33 HE2 TYR 33 139.200 -8.331 12.305
257 HH TYR 33 HH TYR 33 139.024 -6.191 14.294
258 H VAL 34 H VAL 34 143.128 -4.570 8.012
259 HA VAL 34 HA VAL 34 143.461 -4.143 5.200
260 HB VAL 34 HB VAL 34 145.416 -5.215 7.259
261 1HG1 VAL 34 1HG1 VAL 34 145.635 -4.451 4.485
262 2HG1 VAL 34 2HG1 VAL 34 146.577 -3.342 5.481
263 3HG1 VAL 34 3HG1 VAL 34 146.887 -5.077 5.558
264 1HG2 VAL 34 1HG2 VAL 34 143.907 -2.959 7.544
265 2HG2 VAL 34 2HG2 VAL 34 145.539 -3.126 8.189
266 3HG2 VAL 34 3HG2 VAL 34 145.280 -2.319 6.642
267 H VAL 35 H VAL 35 143.179 -5.637 3.625
268 HA VAL 35 HA VAL 35 143.352 -8.526 4.391
269 HB VAL 35 HB VAL 35 141.499 -6.999 2.543
270 1HG1 VAL 35 1HG1 VAL 35 142.067 -9.454 1.950
271 2HG1 VAL 35 2HG1 VAL 35 141.179 -9.867 3.415
272 3HG1 VAL 35 3HG1 VAL 35 140.366 -9.021 2.099
273 1HG2 VAL 35 1HG2 VAL 35 141.522 -7.337 5.345
274 2HG2 VAL 35 2HG2 VAL 35 140.198 -6.714 4.361
275 3HG2 VAL 35 3HG2 VAL 35 140.282 -8.434 4.739
276 H GLY 36 H GLY 36 144.870 -6.307 2.343
277 1HA GLY 36 1HA GLY 36 146.360 -8.422 1.116
278 2HA GLY 36 2HA GLY 36 145.263 -7.752 -0.085
279 H LEU 37 H LEU 37 148.118 -7.557 -0.332
280 HA LEU 37 HA LEU 37 148.475 -4.601 -0.128
281 1HB LEU 37 1HB LEU 37 149.258 -5.391 1.976
282 2HB LEU 37 2HB LEU 37 150.024 -6.800 1.247
283 HG LEU 37 HG LEU 37 151.546 -4.831 1.954
284 1HD1 LEU 37 1HD1 LEU 37 151.694 -6.771 -0.026
285 2HD1 LEU 37 2HD1 LEU 37 152.151 -5.288 -0.867
286 3HD1 LEU 37 3HD1 LEU 37 153.043 -5.798 0.568
287 1HD2 LEU 37 1HD2 LEU 37 149.790 -3.350 0.484
288 2HD2 LEU 37 2HD2 LEU 37 151.455 -2.861 0.800
289 3HD2 LEU 37 3HD2 LEU 37 151.042 -3.657 -0.719
290 H ALA 38 H ALA 38 149.328 -3.927 -2.064
291 HA ALA 38 HA ALA 38 151.388 -5.611 -3.417
292 1HB ALA 38 1HB ALA 38 148.650 -4.817 -4.397
293 2HB ALA 38 2HB ALA 38 149.954 -5.078 -5.556
294 3HB ALA 38 3HB ALA 38 149.443 -6.390 -4.493
295 H GLY 39 H GLY 39 152.982 -4.281 -4.346
296 1HA GLY 39 1HA GLY 39 152.337 -1.799 -5.594
297 2HA GLY 39 2HA GLY 39 153.076 -1.460 -4.025
298 H ASN 40 H ASN 40 154.393 -0.592 -6.238
299 HA ASN 40 HA ASN 40 156.250 -2.538 -7.348
300 1HB ASN 40 1HB ASN 40 157.151 -0.560 -8.451
301 2HB ASN 40 2HB ASN 40 155.393 -0.430 -8.427
302 1HD2 ASN 40 2HD2 ASN 40 157.519 1.764 -8.426
303 2HD2 ASN 40 1HD2 ASN 40 157.146 2.721 -7.082
304 H ALA 41 H ALA 41 156.264 -0.394 -4.586
305 HA ALA 41 HA ALA 41 159.180 -0.912 -4.146
306 1HB ALA 41 1HB ALA 41 157.418 1.345 -3.967
307 2HB ALA 41 2HB ALA 41 158.065 1.016 -2.359
308 3HB ALA 41 3HB ALA 41 159.162 1.307 -3.709
309 H ILE 42 H ILE 42 156.648 -2.579 -3.492
310 HA ILE 42 HA ILE 42 156.680 -2.579 -0.537
311 HB ILE 42 HB ILE 42 155.073 -4.033 -2.656
312 1HG1 ILE 42 1HG1 ILE 42 154.654 -1.518 -1.042
313 2HG1 ILE 42 2HG1 ILE 42 154.514 -1.748 -2.786
314 1HG2 ILE 42 1HG2 ILE 42 155.396 -4.784 -0.019
315 2HG2 ILE 42 2HG2 ILE 42 153.954 -3.770 0.050
316 3HG2 ILE 42 3HG2 ILE 42 153.998 -5.173 -1.018
317 1HD1 ILE 42 1HD1 ILE 42 152.634 -3.483 -2.043
318 2HD1 ILE 42 2HD1 ILE 42 152.574 -2.437 -0.626
319 3HD1 ILE 42 3HD1 ILE 42 152.276 -1.766 -2.228
320 H LEU 43 H LEU 43 157.595 -4.234 0.675
321 HA LEU 43 HA LEU 43 159.230 -6.217 -0.812
322 1HB LEU 43 1HB LEU 43 159.086 -5.232 2.050
323 2HB LEU 43 2HB LEU 43 160.187 -6.508 1.530
324 HG LEU 43 HG LEU 43 160.099 -3.814 0.164
325 1HD1 LEU 43 1HD1 LEU 43 160.795 -4.152 2.811
326 2HD1 LEU 43 2HD1 LEU 43 162.343 -4.350 1.990
327 3HD1 LEU 43 3HD1 LEU 43 161.407 -2.872 1.764
328 1HD2 LEU 43 1HD2 LEU 43 161.222 -6.108 -0.671
329 2HD2 LEU 43 2HD2 LEU 43 161.981 -4.542 -0.956
330 3HD2 LEU 43 3HD2 LEU 43 162.517 -5.550 0.388
331 H ARG 44 H ARG 44 157.673 -7.846 -1.377
332 HA ARG 44 HA ARG 44 156.335 -9.229 0.918
333 1HB ARG 44 1HB ARG 44 154.998 -8.622 -1.088
334 2HB ARG 44 2HB ARG 44 156.096 -9.570 -2.091
335 1HG ARG 44 1HG ARG 44 155.408 -11.349 -0.085
336 2HG ARG 44 2HG ARG 44 153.903 -10.473 -0.369
337 1HD ARG 44 1HD ARG 44 153.647 -11.981 -2.083
338 2HD ARG 44 2HD ARG 44 154.770 -10.905 -2.941
339 HE ARG 44 HE ARG 44 156.036 -12.910 -1.194
340 1HH1 ARG 44 1HH1 ARG 44 154.959 -12.008 -4.354
341 2HH1 ARG 44 2HH1 ARG 44 156.023 -13.106 -5.164
342 1HH2 ARG 44 1HH2 ARG 44 157.418 -14.338 -2.241
343 2HH2 ARG 44 2HH2 ARG 44 157.414 -14.423 -3.971
344 H GLU 45 H GLU 45 157.909 -10.572 1.830
345 HA GLU 45 HA GLU 45 159.498 -12.279 -0.056
346 1HB GLU 45 1HB GLU 45 159.990 -11.169 2.709
347 2HB GLU 45 2HB GLU 45 160.936 -12.522 2.089
348 1HG GLU 45 1HG GLU 45 161.414 -11.076 0.039
349 2HG GLU 45 2HG GLU 45 160.738 -9.727 0.952
350 H ASP 46 H ASP 46 159.202 -14.475 0.077
351 HA ASP 46 HA ASP 46 157.050 -15.662 1.541
352 1HB ASP 46 1HB ASP 46 158.314 -16.469 -0.536
353 2HB ASP 46 2HB ASP 46 159.587 -17.001 0.562
354 H LYS 47 H LYS 47 160.529 -15.362 2.204
355 HA LYS 47 HA LYS 47 160.640 -16.936 4.576
356 1HB LYS 47 1HB LYS 47 162.194 -14.523 3.620
357 2HB LYS 47 2HB LYS 47 162.701 -15.553 4.959
358 1HG LYS 47 1HG LYS 47 162.747 -17.502 3.447
359 2HG LYS 47 2HG LYS 47 162.245 -16.473 2.106
360 1HD LYS 47 1HD LYS 47 164.788 -16.134 3.725
361 2HD LYS 47 2HD LYS 47 164.692 -16.798 2.094
362 1HE LYS 47 1HE LYS 47 163.769 -14.656 1.265
363 2HE LYS 47 2HE LYS 47 163.875 -13.982 2.903
364 1HZ LYS 47 1HZ LYS 47 166.306 -15.247 2.249
365 2HZ LYS 47 2HZ LYS 47 165.913 -14.156 1.008
366 3HZ LYS 47 3HZ LYS 47 166.033 -13.614 2.613
367 H ASP 48 H ASP 48 159.940 -13.531 4.057
368 HA ASP 48 HA ASP 48 159.144 -13.302 6.941
369 1HB ASP 48 1HB ASP 48 161.310 -12.204 6.128
370 2HB ASP 48 2HB ASP 48 160.291 -11.122 5.178
371 HA PRO 49 HA PRO 49 155.474 -12.276 4.329
372 1HB PRO 49 1HB PRO 49 153.687 -13.485 6.023
373 2HB PRO 49 2HB PRO 49 154.545 -14.357 4.736
374 1HG PRO 49 1HG PRO 49 155.138 -14.231 7.654
375 2HG PRO 49 2HG PRO 49 155.214 -15.611 6.546
376 1HD PRO 49 1HD PRO 49 157.416 -14.252 7.350
377 2HD PRO 49 2HD PRO 49 157.294 -15.035 5.758
378 H GLN 50 H GLN 50 153.918 -10.621 4.803
379 HA GLN 50 HA GLN 50 154.544 -9.017 7.211
380 1HB GLN 50 1HB GLN 50 154.406 -8.027 4.937
381 2HB GLN 50 2HB GLN 50 152.722 -8.540 4.827
382 1HG GLN 50 1HG GLN 50 152.185 -7.165 6.820
383 2HG GLN 50 2HG GLN 50 153.860 -6.619 6.879
384 1HE2 GLN 50 2HE2 GLN 50 154.552 -5.037 5.311
385 2HE2 GLN 50 1HE2 GLN 50 153.468 -4.277 4.249
386 H LYS 51 H LYS 51 153.278 -9.150 9.025
387 HA LYS 51 HA LYS 51 150.782 -10.648 9.137
388 1HB LYS 51 1HB LYS 51 152.055 -8.601 10.992
389 2HB LYS 51 2HB LYS 51 150.738 -9.688 11.430
390 1HG LYS 51 1HG LYS 51 152.179 -11.633 10.991
391 2HG LYS 51 2HG LYS 51 153.501 -10.559 10.531
392 1HD LYS 51 1HD LYS 51 153.433 -9.543 12.798
393 2HD LYS 51 2HD LYS 51 152.166 -10.682 13.253
394 1HE LYS 51 1HE LYS 51 154.875 -11.576 12.217
395 2HE LYS 51 2HE LYS 51 154.505 -11.395 13.944
396 1HZ LYS 51 1HZ LYS 51 152.437 -12.761 13.403
397 2HZ LYS 51 2HZ LYS 51 153.243 -13.200 11.972
398 3HZ LYS 51 3HZ LYS 51 153.919 -13.588 13.478
399 H MET 52 H MET 52 148.673 -9.797 8.971
400 HA MET 52 HA MET 52 148.384 -7.198 7.670
401 1HB MET 52 1HB MET 52 146.146 -7.906 7.369
402 2HB MET 52 2HB MET 52 147.057 -9.415 7.394
403 1HG MET 52 1HG MET 52 146.438 -9.860 9.665
404 2HG MET 52 2HG MET 52 145.784 -8.238 9.876
405 1HE MET 52 1HE MET 52 144.121 -7.272 8.201
406 2HE MET 52 2HE MET 52 142.571 -8.094 7.983
407 3HE MET 52 3HE MET 52 143.174 -7.762 9.604
408 H TYR 53 H TYR 53 147.242 -5.377 8.561
409 HA TYR 53 HA TYR 53 146.754 -5.474 11.511
410 1HB TYR 53 1HB TYR 53 147.614 -3.074 11.492
411 2HB TYR 53 2HB TYR 53 148.832 -4.308 11.210
412 HD1 TYR 53 HD1 TYR 53 146.639 -1.815 9.556
413 HD2 TYR 53 HD2 TYR 53 150.009 -4.445 9.128
414 HE1 TYR 53 HE1 TYR 53 147.187 -0.758 7.380
415 HE2 TYR 53 HE2 TYR 53 150.555 -3.389 6.950
416 HH TYR 53 HH TYR 53 149.689 -2.062 5.287
417 H ALA 54 H ALA 54 145.794 -2.854 11.709
418 HA ALA 54 HA ALA 54 143.475 -2.830 9.820
419 1HB ALA 54 1HB ALA 54 143.617 -3.373 12.674
420 2HB ALA 54 2HB ALA 54 142.527 -2.031 12.325
421 3HB ALA 54 3HB ALA 54 142.268 -3.601 11.563
422 H THR 55 H THR 55 142.488 -0.721 9.576
423 HA THR 55 HA THR 55 143.960 1.562 10.809
424 HB THR 55 HB THR 55 143.655 0.881 7.889
425 HG1 THR 55 HG1 THR 55 145.516 0.193 8.987
426 1HG2 THR 55 1HG2 THR 55 142.974 3.307 8.497
427 2HG2 THR 55 2HG2 THR 55 144.680 3.535 8.879
428 3HG2 THR 55 3HG2 THR 55 144.194 3.086 7.245
429 H ILE 56 H ILE 56 142.577 3.175 11.366
430 HA ILE 56 HA ILE 56 139.738 2.943 10.464
431 HB ILE 56 HB ILE 56 141.067 4.129 12.919
432 1HG1 ILE 56 1HG1 ILE 56 139.154 1.804 12.751
433 2HG1 ILE 56 2HG1 ILE 56 140.893 1.575 12.567
434 1HG2 ILE 56 1HG2 ILE 56 138.601 4.828 11.783
435 2HG2 ILE 56 2HG2 ILE 56 138.196 3.691 13.069
436 3HG2 ILE 56 3HG2 ILE 56 139.121 5.148 13.437
437 1HD1 ILE 56 1HD1 ILE 56 140.758 3.161 14.810
438 2HD1 ILE 56 2HD1 ILE 56 139.321 2.154 14.986
439 3HD1 ILE 56 3HD1 ILE 56 140.909 1.404 14.830
440 H TYR 57 H TYR 57 138.871 4.597 9.292
441 HA TYR 57 HA TYR 57 140.574 6.997 8.799
442 1HB TYR 57 1HB TYR 57 138.165 5.741 7.438
443 2HB TYR 57 2HB TYR 57 138.941 7.225 6.878
444 HD1 TYR 57 HD1 TYR 57 139.506 3.614 7.559
445 HD2 TYR 57 HD2 TYR 57 141.008 7.174 5.678
446 HE1 TYR 57 HE1 TYR 57 141.253 2.272 6.418
447 HE2 TYR 57 HE2 TYR 57 142.754 5.831 4.533
448 HH TYR 57 HH TYR 57 142.836 3.122 3.846
449 H GLU 58 H GLU 58 140.099 8.675 10.158
450 HA GLU 58 HA GLU 58 137.255 9.087 10.986
451 1HB GLU 58 1HB GLU 58 138.826 8.380 12.757
452 2HB GLU 58 2HB GLU 58 139.883 9.735 12.361
453 1HG GLU 58 1HG GLU 58 138.079 11.316 12.947
454 2HG GLU 58 2HG GLU 58 137.024 9.959 13.347
455 H LEU 59 H LEU 59 136.447 10.805 9.840
456 HA LEU 59 HA LEU 59 138.202 12.872 8.743
457 1HB LEU 59 1HB LEU 59 136.360 12.319 7.397
458 2HB LEU 59 2HB LEU 59 135.246 12.265 8.757
459 HG LEU 59 HG LEU 59 135.716 14.783 9.017
460 1HD1 LEU 59 1HD1 LEU 59 137.705 14.377 7.285
461 2HD1 LEU 59 2HD1 LEU 59 136.429 14.733 6.118
462 3HD1 LEU 59 3HD1 LEU 59 136.847 15.918 7.356
463 1HD2 LEU 59 1HD2 LEU 59 134.114 13.395 6.942
464 2HD2 LEU 59 2HD2 LEU 59 133.591 14.484 8.223
465 3HD2 LEU 59 3HD2 LEU 59 134.301 15.136 6.748
466 H LYS 60 H LYS 60 137.890 15.169 9.247
467 HA LYS 60 HA LYS 60 136.826 15.692 11.999
468 1HB LYS 60 1HB LYS 60 139.279 15.681 11.980
469 2HB LYS 60 2HB LYS 60 139.296 16.786 10.605
470 1HG LYS 60 1HG LYS 60 138.442 18.583 11.898
471 2HG LYS 60 2HG LYS 60 137.939 17.509 13.204
472 1HD LYS 60 1HD LYS 60 139.996 18.719 13.818
473 2HD LYS 60 2HD LYS 60 140.308 16.988 13.684
474 1HE LYS 60 1HE LYS 60 141.034 17.457 11.261
475 2HE LYS 60 2HE LYS 60 141.053 19.171 11.724
476 1HZ LYS 60 1HZ LYS 60 142.300 18.192 13.800
477 2HZ LYS 60 2HZ LYS 60 142.717 16.965 12.701
478 3HZ LYS 60 3HZ LYS 60 143.143 18.578 12.380
479 H GLU 61 H GLU 61 135.857 17.857 12.201
480 HA GLU 61 HA GLU 61 134.300 18.651 9.956
481 1HB GLU 61 1HB GLU 61 135.049 19.911 12.585
482 2HB GLU 61 2HB GLU 61 133.926 20.695 11.476
483 1HG GLU 61 1HG GLU 61 132.487 18.691 11.507
484 2HG GLU 61 2HG GLU 61 133.607 17.902 12.618
485 H ASP 62 H ASP 62 137.080 18.693 9.189
486 HA ASP 62 HA ASP 62 137.166 21.409 8.037
487 1HB ASP 62 1HB ASP 62 139.475 21.745 8.785
488 2HB ASP 62 2HB ASP 62 138.456 21.428 10.189
489 H LYS 63 H LYS 63 136.471 19.340 6.522
490 HA LYS 63 HA LYS 63 137.156 17.637 4.973
491 1HB LYS 63 1HB LYS 63 138.532 18.943 3.192
492 2HB LYS 63 2HB LYS 63 136.926 19.540 3.606
493 1HG LYS 63 1HG LYS 63 137.741 21.415 4.627
494 2HG LYS 63 2HG LYS 63 139.151 20.577 5.267
495 1HD LYS 63 1HD LYS 63 139.490 20.525 2.487
496 2HD LYS 63 2HD LYS 63 138.924 22.156 2.855
497 1HE LYS 63 1HE LYS 63 140.734 22.584 4.324
498 2HE LYS 63 2HE LYS 63 141.121 20.858 4.480
499 1HZ LYS 63 1HZ LYS 63 141.602 20.826 2.084
500 2HZ LYS 63 2HZ LYS 63 141.348 22.501 2.013
501 3HZ LYS 63 3HZ LYS 63 142.637 21.876 2.926
502 H SER 64 H SER 64 138.602 16.800 7.010
503 HA SER 64 HA SER 64 141.200 16.091 5.785
504 1HB SER 64 1HB SER 64 142.359 17.591 7.002
505 2HB SER 64 2HB SER 64 140.883 18.139 7.791
506 HG SER 64 HG SER 64 142.761 16.219 8.582
507 H TYR 65 H TYR 65 142.085 14.231 6.710
508 HA TYR 65 HA TYR 65 140.226 12.700 8.499
509 1HB TYR 65 1HB TYR 65 142.139 11.892 6.298
510 2HB TYR 65 2HB TYR 65 141.374 10.726 7.370
511 HD1 TYR 65 HD1 TYR 65 138.799 10.738 7.506
512 HD2 TYR 65 HD2 TYR 65 141.030 12.677 4.390
513 HE1 TYR 65 HE1 TYR 65 136.790 10.711 6.051
514 HE2 TYR 65 HE2 TYR 65 139.023 12.657 2.939
515 HH TYR 65 HH TYR 65 136.856 12.190 2.809
516 H ASN 66 H ASN 66 141.073 11.855 10.342
517 HA ASN 66 HA ASN 66 144.059 11.857 10.626
518 1HB ASN 66 1HB ASN 66 142.328 13.043 12.318
519 2HB ASN 66 2HB ASN 66 142.239 11.403 12.962
520 1HD2 ASN 66 2HD2 ASN 66 144.381 10.389 13.619
521 2HD2 ASN 66 1HD2 ASN 66 145.639 11.408 14.127
522 H VAL 67 H VAL 67 144.709 9.842 9.998
523 HA VAL 67 HA VAL 67 142.783 7.603 10.198
524 HB VAL 67 HB VAL 67 145.521 7.754 8.900
525 1HG1 VAL 67 1HG1 VAL 67 143.392 5.754 9.057
526 2HG1 VAL 67 2HG1 VAL 67 143.810 6.159 7.393
527 3HG1 VAL 67 3HG1 VAL 67 145.055 5.579 8.498
528 1HG2 VAL 67 1HG2 VAL 67 143.399 9.408 8.310
529 2HG2 VAL 67 2HG2 VAL 67 144.655 8.938 7.163
530 3HG2 VAL 67 3HG2 VAL 67 143.128 8.057 7.209
531 H THR 68 H THR 68 142.973 6.033 11.724
532 HA THR 68 HA THR 68 145.472 5.869 13.329
533 HB THR 68 HB THR 68 142.561 5.226 13.745
534 HG1 THR 68 HG1 THR 68 144.396 6.359 15.539
535 1HG2 THR 68 1HG2 THR 68 144.885 4.119 15.346
536 2HG2 THR 68 2HG2 THR 68 143.202 4.083 15.872
537 3HG2 THR 68 3HG2 THR 68 143.697 3.186 14.437
538 H SER 69 H SER 69 146.788 4.239 12.811
539 HA SER 69 HA SER 69 145.676 1.842 11.429
540 1HB SER 69 1HB SER 69 148.447 3.017 11.765
541 2HB SER 69 2HB SER 69 148.187 1.414 11.084
542 HG SER 69 HG SER 69 146.906 2.377 9.479
543 H VAL 70 H VAL 70 145.261 0.120 12.686
544 HA VAL 70 HA VAL 70 146.368 0.030 15.438
545 HB VAL 70 HB VAL 70 144.260 -1.552 13.939
546 1HG1 VAL 70 1HG1 VAL 70 145.645 -2.283 16.264
547 2HG1 VAL 70 2HG1 VAL 70 144.115 -1.619 16.840
548 3HG1 VAL 70 3HG1 VAL 70 144.119 -2.960 15.694
549 1HG2 VAL 70 1HG2 VAL 70 144.266 1.038 15.120
550 2HG2 VAL 70 2HG2 VAL 70 142.887 0.157 14.463
551 3HG2 VAL 70 3HG2 VAL 70 143.309 -0.009 16.167
552 H LEU 71 H LEU 71 147.914 -1.455 16.063
553 HA LEU 71 HA LEU 71 148.658 -3.554 14.060
554 1HB LEU 71 1HB LEU 71 150.811 -2.935 15.861
555 2HB LEU 71 2HB LEU 71 150.752 -2.720 14.115
556 HG LEU 71 HG LEU 71 149.384 -0.565 14.668
557 1HD1 LEU 71 1HD1 LEU 71 149.852 -1.582 17.263
558 2HD1 LEU 71 2HD1 LEU 71 150.895 -0.169 17.099
559 3HD1 LEU 71 3HD1 LEU 71 149.158 -0.016 16.841
560 1HD2 LEU 71 1HD2 LEU 71 152.175 -1.153 14.403
561 2HD2 LEU 71 2HD2 LEU 71 151.326 0.325 13.950
562 3HD2 LEU 71 3HD2 LEU 71 151.997 0.155 15.572
563 H PHE 72 H PHE 72 149.715 -5.463 15.058
564 HA PHE 72 HA PHE 72 148.210 -6.250 17.503
565 1HB PHE 72 1HB PHE 72 147.820 -7.515 15.484
566 2HB PHE 72 2HB PHE 72 149.550 -7.707 15.213
567 HD1 PHE 72 HD1 PHE 72 150.884 -9.252 16.549
568 HD2 PHE 72 HD2 PHE 72 146.660 -8.817 17.204
569 HE1 PHE 72 HE1 PHE 72 150.880 -11.334 17.898
570 HE2 PHE 72 HE2 PHE 72 146.655 -10.900 18.553
571 HZ PHE 72 HZ PHE 72 148.765 -12.158 18.899
572 H ARG 73 H ARG 73 149.279 -6.818 19.354
573 HA ARG 73 HA ARG 73 152.234 -7.253 19.241
574 1HB ARG 73 1HB ARG 73 150.373 -6.275 21.435
575 2HB ARG 73 2HB ARG 73 152.053 -6.721 21.724
576 1HG ARG 73 1HG ARG 73 152.798 -5.029 20.098
577 2HG ARG 73 2HG ARG 73 151.119 -4.581 19.789
578 1HD ARG 73 1HD ARG 73 150.897 -4.042 22.256
579 2HD ARG 73 2HD ARG 73 152.654 -4.260 22.389
580 HE ARG 73 HE ARG 73 151.920 -2.508 20.183
581 1HH1 ARG 73 1HH1 ARG 73 152.476 -2.760 23.581
582 2HH1 ARG 73 2HH1 ARG 73 152.903 -1.092 23.766
583 1HH2 ARG 73 1HH2 ARG 73 152.474 -0.329 20.412
584 2HH2 ARG 73 2HH2 ARG 73 152.906 0.282 21.974
585 H LYS 74 H LYS 74 152.731 -8.835 21.220
586 HA LYS 74 HA LYS 74 151.783 -11.359 20.484
587 1HB LYS 74 1HB LYS 74 153.019 -10.275 23.014
588 2HB LYS 74 2HB LYS 74 152.717 -12.000 22.797
589 1HG LYS 74 1HG LYS 74 154.082 -11.983 20.740
590 2HG LYS 74 2HG LYS 74 154.390 -10.260 20.958
591 1HD LYS 74 1HD LYS 74 155.475 -10.729 23.128
592 2HD LYS 74 2HD LYS 74 155.174 -12.452 22.903
593 1HE LYS 74 1HE LYS 74 156.547 -11.117 20.636
594 2HE LYS 74 2HE LYS 74 157.491 -11.247 22.133
595 1HZ LYS 74 1HZ LYS 74 155.936 -13.595 21.533
596 2HZ LYS 74 2HZ LYS 74 157.118 -13.261 20.358
597 3HZ LYS 74 3HZ LYS 74 157.566 -13.465 21.984
598 H LYS 75 H LYS 75 150.613 -9.258 23.045
599 HA LYS 75 HA LYS 75 148.002 -10.574 22.772
600 1HB LYS 75 1HB LYS 75 149.492 -10.266 25.393
601 2HB LYS 75 2HB LYS 75 147.767 -10.616 25.301
602 1HG LYS 75 1HG LYS 75 148.270 -12.657 23.978
603 2HG LYS 75 2HG LYS 75 149.994 -12.322 24.149
604 1HD LYS 75 1HD LYS 75 149.455 -12.239 26.713
605 2HD LYS 75 2HD LYS 75 148.012 -13.143 26.256
606 1HE LYS 75 1HE LYS 75 149.224 -15.047 26.091
607 2HE LYS 75 2HE LYS 75 150.329 -14.273 24.937
608 1HZ LYS 75 1HZ LYS 75 150.435 -13.656 27.827
609 2HZ LYS 75 2HZ LYS 75 151.293 -14.973 27.181
610 3HZ LYS 75 3HZ LYS 75 151.629 -13.399 26.646
611 H LYS 76 H LYS 76 148.954 -8.012 21.882
612 HA LYS 76 HA LYS 76 146.944 -6.366 23.229
613 1HB LYS 76 1HB LYS 76 149.900 -5.751 23.206
614 2HB LYS 76 2HB LYS 76 148.679 -4.520 23.526
615 1HG LYS 76 1HG LYS 76 147.831 -5.854 25.423
616 2HG LYS 76 2HG LYS 76 149.059 -7.082 25.108
617 1HD LYS 76 1HD LYS 76 150.834 -5.411 25.485
618 2HD LYS 76 2HD LYS 76 149.611 -4.182 25.804
619 1HE LYS 76 1HE LYS 76 149.162 -6.565 27.432
620 2HE LYS 76 2HE LYS 76 150.768 -5.867 27.715
621 1HZ LYS 76 1HZ LYS 76 149.268 -3.664 27.507
622 2HZ LYS 76 2HZ LYS 76 148.148 -4.725 28.219
623 3HZ LYS 76 3HZ LYS 76 149.629 -4.416 28.986
624 H CYS 77 H CYS 77 146.240 -4.640 21.945
625 HA CYS 77 HA CYS 77 147.422 -4.452 19.194
626 1HB CYS 77 1HB CYS 77 144.884 -5.209 19.945
627 2HB CYS 77 2HB CYS 77 144.670 -3.485 19.645
628 H ASP 78 H ASP 78 148.320 -2.461 18.782
629 HA ASP 78 HA ASP 78 147.672 -0.237 20.679
630 1HB ASP 78 1HB ASP 78 150.032 -1.532 20.099
631 2HB ASP 78 2HB ASP 78 150.131 -0.109 19.061
632 H TYR 79 H TYR 79 148.164 1.998 19.621
633 HA TYR 79 HA TYR 79 146.977 2.010 16.865
634 1HB TYR 79 1HB TYR 79 146.515 3.814 19.259
635 2HB TYR 79 2HB TYR 79 145.762 4.029 17.678
636 HD1 TYR 79 HD1 TYR 79 145.944 1.883 20.676
637 HD2 TYR 79 HD2 TYR 79 144.020 2.532 16.890
638 HE1 TYR 79 HE1 TYR 79 144.190 0.240 21.287
639 HE2 TYR 79 HE2 TYR 79 142.266 0.887 17.500
640 HH TYR 79 HH TYR 79 141.886 -0.298 20.684
641 H TRP 80 H TRP 80 147.838 3.453 15.404
642 HA TRP 80 HA TRP 80 149.627 5.619 16.359
643 1HB TRP 80 1HB TRP 80 150.760 3.331 15.496
644 2HB TRP 80 2HB TRP 80 150.475 4.090 13.930
645 HD1 TRP 80 HD1 TRP 80 152.316 4.668 17.244
646 HE1 TRP 80 HE1 TRP 80 154.205 6.377 16.849
647 HE3 TRP 80 HE3 TRP 80 151.317 5.985 12.411
648 HZ2 TRP 80 HZ2 TRP 80 155.165 8.080 14.759
649 HZ3 TRP 80 HZ3 TRP 80 152.733 7.652 11.243
650 HH2 TRP 80 HH2 TRP 80 154.654 8.700 12.411
651 H ILE 81 H ILE 81 149.439 7.468 14.924
652 HA ILE 81 HA ILE 81 147.228 7.080 12.951
653 HB ILE 81 HB ILE 81 147.154 9.732 13.765
654 1HG1 ILE 81 1HG1 ILE 81 148.821 9.035 15.579
655 2HG1 ILE 81 2HG1 ILE 81 147.329 9.773 16.150
656 1HG2 ILE 81 1HG2 ILE 81 145.698 7.294 14.809
657 2HG2 ILE 81 2HG2 ILE 81 145.142 8.960 14.998
658 3HG2 ILE 81 3HG2 ILE 81 145.265 8.245 13.387
659 1HD1 ILE 81 1HD1 ILE 81 147.154 6.854 15.835
660 2HD1 ILE 81 2HD1 ILE 81 148.324 7.371 17.048
661 3HD1 ILE 81 3HD1 ILE 81 146.639 7.874 17.177
662 H ARG 82 H ARG 82 147.326 7.937 11.008
663 HA ARG 82 HA ARG 82 149.399 10.002 10.396
664 1HB ARG 82 1HB ARG 82 148.517 7.587 8.795
665 2HB ARG 82 2HB ARG 82 149.298 8.969 8.028
666 1HG ARG 82 1HG ARG 82 151.257 8.703 9.472
667 2HG ARG 82 2HG ARG 82 150.474 7.369 10.321
668 1HD ARG 82 1HD ARG 82 150.500 5.987 8.340
669 2HD ARG 82 2HD ARG 82 151.029 7.350 7.334
670 HE ARG 82 HE ARG 82 152.916 7.138 9.409
671 1HH1 ARG 82 1HH1 ARG 82 151.663 5.217 6.829
672 2HH1 ARG 82 2HH1 ARG 82 153.146 4.362 6.570
673 1HH2 ARG 82 1HH2 ARG 82 154.861 6.032 9.078
674 2HH2 ARG 82 2HH2 ARG 82 154.955 4.825 7.840
675 H THR 83 H THR 83 148.550 11.674 8.979
676 HA THR 83 HA THR 83 145.582 11.804 9.065
677 HB THR 83 HB THR 83 147.891 13.693 8.970
678 HG1 THR 83 HG1 THR 83 145.440 13.799 10.369
679 1HG2 THR 83 1HG2 THR 83 145.075 14.373 8.089
680 2HG2 THR 83 2HG2 THR 83 146.292 15.574 8.522
681 3HG2 THR 83 3HG2 THR 83 146.546 14.522 7.129
682 H PHE 84 H PHE 84 144.333 12.224 7.233
683 HA PHE 84 HA PHE 84 145.724 12.237 4.568
684 1HB PHE 84 1HB PHE 84 143.284 10.706 5.526
685 2HB PHE 84 2HB PHE 84 143.634 10.940 3.818
686 HD1 PHE 84 HD1 PHE 84 146.808 10.857 4.717
687 HD2 PHE 84 HD2 PHE 84 143.415 8.234 4.962
688 HE1 PHE 84 HE1 PHE 84 148.326 8.902 4.771
689 HE2 PHE 84 HE2 PHE 84 144.935 6.276 5.011
690 HZ PHE 84 HZ PHE 84 147.391 6.610 4.916
691 H VAL 85 H VAL 85 144.804 13.777 3.134
692 HA VAL 85 HA VAL 85 142.308 15.136 4.057
693 HB VAL 85 HB VAL 85 144.145 16.410 4.954
694 1HG1 VAL 85 1HG1 VAL 85 145.502 15.413 2.672
695 2HG1 VAL 85 2HG1 VAL 85 145.549 17.173 2.567
696 3HG1 VAL 85 3HG1 VAL 85 146.173 16.356 4.002
697 1HG2 VAL 85 1HG2 VAL 85 142.347 17.430 3.045
698 2HG2 VAL 85 2HG2 VAL 85 143.206 18.338 4.288
699 3HG2 VAL 85 3HG2 VAL 85 143.902 18.176 2.675
700 HA PRO 86 HA PRO 86 141.349 14.536 -0.192
701 1HB PRO 86 1HB PRO 86 139.312 16.364 -0.399
702 2HB PRO 86 2HB PRO 86 139.128 14.768 0.360
703 1HG PRO 86 1HG PRO 86 139.613 17.424 1.645
704 2HG PRO 86 2HG PRO 86 138.490 16.136 2.118
705 1HD PRO 86 1HD PRO 86 140.833 16.463 3.376
706 2HD PRO 86 2HD PRO 86 140.166 14.842 3.073
707 H GLY 87 H GLY 87 142.055 15.441 -2.085
708 1HA GLY 87 1HA GLY 87 143.851 17.634 -1.983
709 2HA GLY 87 2HA GLY 87 143.263 16.891 -3.458
710 H CYS 88 H CYS 88 141.411 17.706 -4.436
711 HA CYS 88 HA CYS 88 140.593 20.453 -3.549
712 1HB CYS 88 1HB CYS 88 140.438 19.134 -6.277
713 2HB CYS 88 2HB CYS 88 140.133 20.834 -5.922
714 HG CYS 88 HG CYS 88 142.962 19.530 -5.594
715 H GLN 89 H GLN 89 139.578 17.273 -4.378
716 HA GLN 89 HA GLN 89 136.794 17.854 -3.561
717 1HB GLN 89 1HB GLN 89 136.374 16.341 -5.750
718 2HB GLN 89 2HB GLN 89 136.457 18.093 -5.798
719 1HG GLN 89 1HG GLN 89 138.722 18.069 -6.549
720 2HG GLN 89 2HG GLN 89 138.892 16.352 -6.178
721 1HE2 GLN 89 2HE2 GLN 89 137.877 14.802 -7.647
722 2HE2 GLN 89 1HE2 GLN 89 137.343 15.269 -9.189
723 HA PRO 90 HA PRO 90 136.896 13.804 -1.952
724 1HB PRO 90 1HB PRO 90 134.526 12.691 -2.727
725 2HB PRO 90 2HB PRO 90 134.644 13.956 -1.490
726 1HG PRO 90 1HG PRO 90 133.795 14.153 -4.322
727 2HG PRO 90 2HG PRO 90 133.251 15.072 -2.911
728 1HD PRO 90 1HD PRO 90 135.021 15.995 -4.823
729 2HD PRO 90 2HD PRO 90 134.862 16.664 -3.193
730 H GLY 91 H GLY 91 137.773 11.835 -2.503
731 1HA GLY 91 1HA GLY 91 137.922 9.915 -4.118
732 2HA GLY 91 2HA GLY 91 137.737 11.108 -5.403
733 H GLU 92 H GLU 92 139.477 13.030 -3.814
734 HA GLU 92 HA GLU 92 142.112 11.667 -4.285
735 1HB GLU 92 1HB GLU 92 141.516 13.208 -6.109
736 2HB GLU 92 2HB GLU 92 141.247 14.503 -4.940
737 1HG GLU 92 1HG GLU 92 143.607 14.364 -4.237
738 2HG GLU 92 2HG GLU 92 143.882 13.072 -5.407
739 H PHE 93 H PHE 93 143.477 11.799 -2.539
740 HA PHE 93 HA PHE 93 143.115 14.063 -0.621
741 1HB PHE 93 1HB PHE 93 143.563 11.193 0.228
742 2HB PHE 93 2HB PHE 93 143.061 12.549 1.230
743 HD1 PHE 93 HD1 PHE 93 141.937 10.625 -1.799
744 HD2 PHE 93 HD2 PHE 93 140.793 12.831 1.708
745 HE1 PHE 93 HE1 PHE 93 139.556 10.086 -2.235
746 HE2 PHE 93 HE2 PHE 93 138.411 12.291 1.266
747 HZ PHE 93 HZ PHE 93 137.794 10.920 -0.703
748 H THR 94 H THR 94 145.089 14.144 0.863
749 HA THR 94 HA THR 94 147.502 12.892 -0.358
750 HB THR 94 HB THR 94 148.005 14.991 -1.085
751 HG1 THR 94 HG1 THR 94 148.360 15.483 1.678
752 1HG2 THR 94 1HG2 THR 94 146.019 15.956 0.979
753 2HG2 THR 94 2HG2 THR 94 146.993 17.066 0.014
754 3HG2 THR 94 3HG2 THR 94 145.855 15.976 -0.776
755 H LEU 95 H LEU 95 149.369 13.006 1.262
756 HA LEU 95 HA LEU 95 148.285 12.529 4.021
757 1HB LEU 95 1HB LEU 95 149.093 10.476 3.242
758 2HB LEU 95 2HB LEU 95 150.370 11.230 2.294
759 HG LEU 95 HG LEU 95 150.463 11.631 5.240
760 1HD1 LEU 95 1HD1 LEU 95 150.224 9.017 4.132
761 2HD1 LEU 95 2HD1 LEU 95 151.909 9.239 4.607
762 3HD1 LEU 95 3HD1 LEU 95 150.622 9.460 5.793
763 1HD2 LEU 95 1HD2 LEU 95 152.091 12.084 3.001
764 2HD2 LEU 95 2HD2 LEU 95 152.551 12.284 4.692
765 3HD2 LEU 95 3HD2 LEU 95 152.866 10.757 3.867
766 H GLY 96 H GLY 96 149.381 13.451 5.757
767 1HA GLY 96 1HA GLY 96 151.071 14.621 6.903
768 2HA GLY 96 2HA GLY 96 152.079 14.394 5.495
769 H ASN 97 H ASN 97 152.795 16.272 4.834
770 HA ASN 97 HA ASN 97 150.903 18.343 4.019
771 1HB ASN 97 1HB ASN 97 152.885 18.588 6.247
772 2HB ASN 97 2HB ASN 97 152.655 19.985 5.201
773 1HD2 ASN 97 2HD2 ASN 97 150.947 21.334 5.765
774 2HD2 ASN 97 1HD2 ASN 97 149.636 20.888 6.747
775 H ILE 98 H ILE 98 152.151 16.723 2.381
776 HA ILE 98 HA ILE 98 154.844 16.825 1.933
777 HB ILE 98 HB ILE 98 153.447 15.283 0.780
778 1HG1 ILE 98 1HG1 ILE 98 155.479 16.360 -0.464
779 2HG1 ILE 98 2HG1 ILE 98 154.364 15.348 -1.374
780 1HG2 ILE 98 1HG2 ILE 98 152.043 17.765 -0.176
781 2HG2 ILE 98 2HG2 ILE 98 151.889 16.251 -1.068
782 3HG2 ILE 98 3HG2 ILE 98 151.366 16.342 0.614
783 1HD1 ILE 98 1HD1 ILE 98 153.474 18.125 -1.289
784 2HD1 ILE 98 2HD1 ILE 98 155.082 17.974 -1.993
785 3HD1 ILE 98 3HD1 ILE 98 153.730 17.077 -2.682
786 H LYS 99 H LYS 99 152.586 19.356 1.273
787 HA LYS 99 HA LYS 99 154.180 20.900 -0.578
788 1HB LYS 99 1HB LYS 99 151.640 20.938 0.327
789 2HB LYS 99 2HB LYS 99 152.337 22.148 1.405
790 1HG LYS 99 1HG LYS 99 153.229 23.364 -0.551
791 2HG LYS 99 2HG LYS 99 152.497 22.165 -1.615
792 1HD LYS 99 1HD LYS 99 150.264 22.731 -0.572
793 2HD LYS 99 2HD LYS 99 151.063 24.073 0.248
794 1HE LYS 99 1HE LYS 99 151.099 23.686 -2.765
795 2HE LYS 99 2HE LYS 99 149.975 24.763 -1.913
796 1HZ LYS 99 1HZ LYS 99 152.584 25.146 -0.917
797 2HZ LYS 99 2HZ LYS 99 152.621 25.292 -2.609
798 3HZ LYS 99 3HZ LYS 99 151.577 26.268 -1.698
799 H SER 100 H SER 100 153.779 20.811 2.958
800 HA SER 100 HA SER 100 155.849 22.868 3.338
801 1HB SER 100 1HB SER 100 153.894 21.383 5.088
802 2HB SER 100 2HB SER 100 155.113 22.456 5.767
803 HG SER 100 HG SER 100 154.215 23.992 4.098
804 H TYR 101 H TYR 101 155.887 19.569 2.911
805 HA TYR 101 HA TYR 101 157.571 18.891 5.185
806 1HB TYR 101 1HB TYR 101 155.960 17.594 3.111
807 2HB TYR 101 2HB TYR 101 157.411 16.687 3.533
808 HD1 TYR 101 HD1 TYR 101 155.168 18.894 5.572
809 HD2 TYR 101 HD2 TYR 101 156.799 14.961 4.996
810 HE1 TYR 101 HE1 TYR 101 154.101 18.141 7.682
811 HE2 TYR 101 HE2 TYR 101 155.734 14.210 7.107
812 HH TYR 101 HH TYR 101 153.322 15.566 8.529
813 HA PRO 102 HA PRO 102 161.455 19.202 3.172
814 1HB PRO 102 1HB PRO 102 162.881 17.525 4.783
815 2HB PRO 102 2HB PRO 102 162.365 19.140 5.281
816 1HG PRO 102 1HG PRO 102 161.242 16.502 6.004
817 2HG PRO 102 2HG PRO 102 161.340 17.989 6.952
818 1HD PRO 102 1HD PRO 102 159.066 17.062 5.681
819 2HD PRO 102 2HD PRO 102 159.339 18.738 6.200
820 H GLY 103 H GLY 103 161.523 15.926 4.359
821 1HA GLY 103 1HA GLY 103 162.576 15.027 1.782
822 2HA GLY 103 2HA GLY 103 162.519 14.074 3.252
823 H LEU 104 H LEU 104 159.508 15.446 2.736
824 HA LEU 104 HA LEU 104 158.508 12.963 1.399
825 1HB LEU 104 1HB LEU 104 157.645 13.938 3.668
826 2HB LEU 104 2HB LEU 104 156.843 15.145 2.664
827 HG LEU 104 HG LEU 104 156.418 12.484 1.595
828 1HD1 LEU 104 1HD1 LEU 104 156.527 12.566 4.413
829 2HD1 LEU 104 2HD1 LEU 104 154.812 12.578 4.001
830 3HD1 LEU 104 3HD1 LEU 104 155.851 11.280 3.414
831 1HD2 LEU 104 1HD2 LEU 104 155.033 14.974 2.058
832 2HD2 LEU 104 2HD2 LEU 104 154.623 13.677 0.934
833 3HD2 LEU 104 3HD2 LEU 104 154.025 13.630 2.598
834 H THR 105 H THR 105 158.091 13.169 -0.756
835 HA THR 105 HA THR 105 158.290 15.878 -1.887
836 HB THR 105 HB THR 105 158.527 13.063 -2.967
837 HG1 THR 105 HG1 THR 105 160.221 15.024 -1.987
838 1HG2 THR 105 1HG2 THR 105 158.716 15.731 -4.354
839 2HG2 THR 105 2HG2 THR 105 159.561 14.308 -4.963
840 3HG2 THR 105 3HG2 THR 105 157.801 14.303 -4.845
841 H SER 106 H SER 106 156.089 13.041 -2.310
842 HA SER 106 HA SER 106 153.900 14.891 -3.034
843 1HB SER 106 1HB SER 106 155.502 13.250 -4.944
844 2HB SER 106 2HB SER 106 153.766 13.352 -5.221
845 HG SER 106 HG SER 106 155.243 15.676 -4.660
846 H TYR 107 H TYR 107 152.408 13.968 -1.642
847 HA TYR 107 HA TYR 107 152.128 10.974 -1.693
848 1HB TYR 107 1HB TYR 107 152.707 12.737 0.364
849 2HB TYR 107 2HB TYR 107 150.973 12.483 0.548
850 HD1 TYR 107 HD1 TYR 107 150.235 9.907 0.179
851 HD2 TYR 107 HD2 TYR 107 154.114 11.247 1.451
852 HE1 TYR 107 HE1 TYR 107 150.677 7.680 1.181
853 HE2 TYR 107 HE2 TYR 107 154.555 9.022 2.454
854 HH TYR 107 HH TYR 107 153.650 6.588 1.994
855 H LEU 108 H LEU 108 150.404 10.633 -3.131
856 HA LEU 108 HA LEU 108 147.906 12.225 -2.643
857 1HB LEU 108 1HB LEU 108 149.104 12.554 -4.835
858 2HB LEU 108 2HB LEU 108 148.845 10.846 -5.181
859 HG LEU 108 HG LEU 108 147.145 12.539 -6.151
860 1HD1 LEU 108 1HD1 LEU 108 146.927 9.974 -5.806
861 2HD1 LEU 108 2HD1 LEU 108 145.872 10.398 -4.458
862 3HD1 LEU 108 3HD1 LEU 108 145.458 10.905 -6.095
863 1HD2 LEU 108 1HD2 LEU 108 147.003 13.447 -3.583
864 2HD2 LEU 108 2HD2 LEU 108 145.710 13.648 -4.762
865 3HD2 LEU 108 3HD2 LEU 108 145.646 12.322 -3.605
866 H VAL 109 H VAL 109 146.074 11.042 -2.190
867 HA VAL 109 HA VAL 109 146.266 8.051 -2.334
868 HB VAL 109 HB VAL 109 144.704 9.736 -0.358
869 1HG1 VAL 109 1HG1 VAL 109 145.358 6.836 -0.704
870 2HG1 VAL 109 2HG1 VAL 109 145.202 7.469 0.935
871 3HG1 VAL 109 3HG1 VAL 109 143.849 7.590 -0.191
872 1HG2 VAL 109 1HG2 VAL 109 147.563 8.790 -0.327
873 2HG2 VAL 109 2HG2 VAL 109 146.917 10.377 0.095
874 3HG2 VAL 109 3HG2 VAL 109 146.673 9.008 1.180
875 H ARG 110 H ARG 110 144.569 7.059 -3.389
876 HA ARG 110 HA ARG 110 142.001 8.519 -3.687
877 1HB ARG 110 1HB ARG 110 143.243 9.168 -5.662
878 2HB ARG 110 2HB ARG 110 143.748 7.501 -5.949
879 1HG ARG 110 1HG ARG 110 141.333 6.877 -6.223
880 2HG ARG 110 2HG ARG 110 140.922 8.588 -6.100
881 1HD ARG 110 1HD ARG 110 143.033 7.873 -8.084
882 2HD ARG 110 2HD ARG 110 141.364 7.417 -8.481
883 HE ARG 110 HE ARG 110 141.227 10.040 -7.486
884 1HH1 ARG 110 1HH1 ARG 110 142.754 8.330 -10.069
885 2HH1 ARG 110 2HH1 ARG 110 142.729 9.683 -11.150
886 1HH2 ARG 110 1HH2 ARG 110 141.183 11.806 -8.887
887 2HH2 ARG 110 2HH2 ARG 110 141.841 11.649 -10.482
888 H VAL 111 H VAL 111 140.799 6.934 -2.592
889 HA VAL 111 HA VAL 111 141.268 4.114 -2.797
890 HB VAL 111 HB VAL 111 139.334 5.973 -1.648
891 1HG1 VAL 111 1HG1 VAL 111 138.337 3.327 -2.747
892 2HG1 VAL 111 2HG1 VAL 111 137.501 4.242 -1.493
893 3HG1 VAL 111 3HG1 VAL 111 137.701 4.931 -3.102
894 1HG2 VAL 111 1HG2 VAL 111 140.423 3.221 -1.055
895 2HG2 VAL 111 2HG2 VAL 111 140.836 4.745 -0.262
896 3HG2 VAL 111 3HG2 VAL 111 139.250 4.016 0.002
897 H VAL 112 H VAL 112 140.469 2.621 -4.259
898 HA VAL 112 HA VAL 112 139.661 3.692 -6.850
899 HB VAL 112 HB VAL 112 140.446 1.084 -5.632
900 1HG1 VAL 112 1HG1 VAL 112 138.754 1.396 -8.104
901 2HG1 VAL 112 2HG1 VAL 112 139.902 0.065 -7.962
902 3HG1 VAL 112 3HG1 VAL 112 138.586 0.223 -6.800
903 1HG2 VAL 112 1HG2 VAL 112 141.940 2.831 -6.801
904 2HG2 VAL 112 2HG2 VAL 112 142.111 1.157 -7.333
905 3HG2 VAL 112 3HG2 VAL 112 141.177 2.300 -8.306
906 H SER 113 H SER 113 138.154 1.022 -5.011
907 HA SER 113 HA SER 113 135.511 2.335 -5.324
908 1HB SER 113 1HB SER 113 135.968 0.900 -7.332
909 2HB SER 113 2HB SER 113 136.136 -0.486 -6.258
910 HG SER 113 HG SER 113 133.845 1.182 -6.297
911 H THR 114 H THR 114 134.390 2.068 -3.434
912 HA THR 114 HA THR 114 135.453 0.102 -1.484
913 HB THR 114 HB THR 114 134.166 1.545 0.107
914 HG1 THR 114 HG1 THR 114 133.495 3.593 -1.014
915 1HG2 THR 114 1HG2 THR 114 136.541 2.017 -0.562
916 2HG2 THR 114 2HG2 THR 114 135.924 3.135 -1.777
917 3HG2 THR 114 3HG2 THR 114 135.646 3.451 -0.067
918 H ASN 115 H ASN 115 134.086 -1.368 -0.460
919 HA ASN 115 HA ASN 115 131.251 -1.462 -1.326
920 1HB ASN 115 1HB ASN 115 132.817 -3.132 -2.519
921 2HB ASN 115 2HB ASN 115 132.960 -3.927 -0.954
922 1HD2 ASN 115 2HD2 ASN 115 131.799 -5.828 -1.868
923 2HD2 ASN 115 1HD2 ASN 115 130.115 -5.773 -2.077
924 H TYR 116 H TYR 116 131.641 -0.216 0.803
925 HA TYR 116 HA TYR 116 132.747 -1.103 3.091
926 1HB TYR 116 1HB TYR 116 130.880 0.286 4.237
927 2HB TYR 116 2HB TYR 116 131.853 1.078 2.998
928 HD1 TYR 116 HD1 TYR 116 128.786 -1.086 3.209
929 HD2 TYR 116 HD2 TYR 116 130.704 2.296 1.381
930 HE1 TYR 116 HE1 TYR 116 126.737 -0.639 1.885
931 HE2 TYR 116 HE2 TYR 116 128.655 2.742 0.056
932 HH TYR 116 HH TYR 116 126.329 0.624 -0.498
933 H ASN 117 H ASN 117 130.069 -2.775 1.726
934 HA ASN 117 HA ASN 117 129.308 -3.971 4.342
935 1HB ASN 117 1HB ASN 117 127.623 -5.141 2.911
936 2HB ASN 117 2HB ASN 117 127.538 -3.386 2.743
937 1HD2 ASN 117 2HD2 ASN 117 129.125 -6.233 1.195
938 2HD2 ASN 117 1HD2 ASN 117 129.079 -5.589 -0.374
939 H GLN 118 H GLN 118 131.592 -4.355 1.908
940 HA GLN 118 HA GLN 118 132.147 -7.134 2.824
941 1HB GLN 118 1HB GLN 118 130.864 -6.603 0.481
942 2HB GLN 118 2HB GLN 118 132.544 -6.564 -0.057
943 1HG GLN 118 1HG GLN 118 131.775 -8.840 -0.275
944 2HG GLN 118 2HG GLN 118 132.873 -8.785 1.105
945 1HE2 GLN 118 2HE2 GLN 118 132.022 -10.162 2.679
946 2HE2 GLN 118 1HE2 GLN 118 130.394 -10.202 3.156
947 H HIS 119 H HIS 119 133.497 -4.948 0.330
948 HA HIS 119 HA HIS 119 136.065 -4.800 1.838
949 1HB HIS 119 1HB HIS 119 137.258 -5.929 0.108
950 2HB HIS 119 2HB HIS 119 135.823 -6.909 0.408
951 HD1 HIS 119 HD1 HIS 119 133.885 -6.770 -1.372
952 HD2 HIS 119 HD2 HIS 119 137.351 -4.712 -2.436
953 HE1 HIS 119 HE1 HIS 119 133.673 -6.236 -3.839
954 H ALA 120 H ALA 120 137.636 -3.351 0.755
955 HA ALA 120 HA ALA 120 136.553 -1.596 -1.381
956 1HB ALA 120 1HB ALA 120 136.994 -0.931 1.433
957 2HB ALA 120 2HB ALA 120 137.841 0.163 0.340
958 3HB ALA 120 3HB ALA 120 136.093 -0.041 0.211
959 H MET 121 H MET 121 138.311 -0.534 -2.575
960 HA MET 121 HA MET 121 140.979 -1.810 -2.081
961 1HB MET 121 1HB MET 121 139.445 -1.095 -4.590
962 2HB MET 121 2HB MET 121 141.148 -1.554 -4.622
963 1HG MET 121 1HG MET 121 140.589 -3.696 -3.522
964 2HG MET 121 2HG MET 121 138.888 -3.237 -3.493
965 1HE MET 121 1HE MET 121 137.541 -2.687 -5.229
966 2HE MET 121 2HE MET 121 138.356 -1.949 -6.605
967 3HE MET 121 3HE MET 121 137.509 -3.480 -6.810
968 H VAL 122 H VAL 122 142.750 -0.487 -1.980
969 HA VAL 122 HA VAL 122 142.293 2.451 -2.363
970 HB VAL 122 HB VAL 122 143.638 0.720 -0.362
971 1HG1 VAL 122 1HG1 VAL 122 144.905 3.194 -1.496
972 2HG1 VAL 122 2HG1 VAL 122 145.025 2.896 0.238
973 3HG1 VAL 122 3HG1 VAL 122 145.671 1.719 -0.906
974 1HG2 VAL 122 1HG2 VAL 122 141.568 2.041 0.040
975 2HG2 VAL 122 2HG2 VAL 122 142.880 2.490 1.129
976 3HG2 VAL 122 3HG2 VAL 122 142.489 3.519 -0.251
977 H PHE 123 H PHE 123 143.667 3.569 -3.688
978 HA PHE 123 HA PHE 123 146.073 2.139 -4.780
979 1HB PHE 123 1HB PHE 123 144.486 2.807 -6.502
980 2HB PHE 123 2HB PHE 123 144.395 4.439 -5.836
981 HD1 PHE 123 HD1 PHE 123 146.659 1.987 -7.478
982 HD2 PHE 123 HD2 PHE 123 146.036 6.086 -6.354
983 HE1 PHE 123 HE1 PHE 123 148.617 2.659 -8.846
984 HE2 PHE 123 HE2 PHE 123 147.992 6.760 -7.722
985 HZ PHE 123 HZ PHE 123 149.284 5.046 -8.966
986 H PHE 124 H PHE 124 147.683 2.724 -3.302
987 HA PHE 124 HA PHE 124 147.785 5.531 -2.291
988 1HB PHE 124 1HB PHE 124 148.692 2.841 -1.483
989 2HB PHE 124 2HB PHE 124 149.855 4.120 -1.146
990 HD1 PHE 124 HD1 PHE 124 148.422 6.423 -0.375
991 HD2 PHE 124 HD2 PHE 124 147.402 2.315 0.367
992 HE1 PHE 124 HE1 PHE 124 147.092 7.110 1.604
993 HE2 PHE 124 HE2 PHE 124 146.070 3.002 2.344
994 HZ PHE 124 HZ PHE 124 145.915 5.399 2.962
995 H LYS 125 H LYS 125 149.116 6.978 -3.346
996 HA LYS 125 HA LYS 125 151.608 5.918 -4.630
997 1HB LYS 125 1HB LYS 125 149.808 6.385 -6.276
998 2HB LYS 125 2HB LYS 125 149.703 8.039 -5.673
999 1HG LYS 125 1HG LYS 125 151.897 8.569 -6.443
1000 2HG LYS 125 2HG LYS 125 152.282 6.871 -6.731
1001 1HD LYS 125 1HD LYS 125 151.765 8.038 -8.848
1002 2HD LYS 125 2HD LYS 125 150.578 6.777 -8.509
1003 1HE LYS 125 1HE LYS 125 149.086 8.533 -7.496
1004 2HE LYS 125 2HE LYS 125 150.240 9.761 -8.053
1005 1HZ LYS 125 1HZ LYS 125 150.058 8.517 -10.282
1006 2HZ LYS 125 2HZ LYS 125 148.610 7.895 -9.656
1007 3HZ LYS 125 3HZ LYS 125 148.802 9.573 -9.842
1008 H LYS 126 H LYS 126 153.426 7.025 -3.969
1009 HA LYS 126 HA LYS 126 153.263 9.863 -3.171
1010 1HB LYS 126 1HB LYS 126 154.171 9.265 -0.883
1011 2HB LYS 126 2HB LYS 126 152.506 8.754 -1.166
1012 1HG LYS 126 1HG LYS 126 154.661 6.832 -1.911
1013 2HG LYS 126 2HG LYS 126 154.355 7.074 -0.190
1014 1HD LYS 126 1HD LYS 126 151.896 6.685 -0.676
1015 2HD LYS 126 2HD LYS 126 152.372 6.189 -2.300
1016 1HE LYS 126 1HE LYS 126 152.894 4.125 -1.537
1017 2HE LYS 126 2HE LYS 126 154.026 4.824 -0.366
1018 1HZ LYS 126 1HZ LYS 126 151.100 4.919 0.046
1019 2HZ LYS 126 2HZ LYS 126 152.025 3.601 0.577
1020 3HZ LYS 126 3HZ LYS 126 152.333 5.156 1.190
1021 H VAL 127 H VAL 127 155.395 10.777 -2.783
1022 HA VAL 127 HA VAL 127 157.700 9.065 -3.644
1023 HB VAL 127 HB VAL 127 156.949 11.874 -4.519
1024 1HG1 VAL 127 1HG1 VAL 127 159.535 10.694 -4.223
1025 2HG1 VAL 127 2HG1 VAL 127 159.185 10.794 -5.948
1026 3HG1 VAL 127 3HG1 VAL 127 159.129 12.246 -4.951
1027 1HG2 VAL 127 1HG2 VAL 127 156.827 9.158 -5.722
1028 2HG2 VAL 127 2HG2 VAL 127 155.801 10.565 -6.009
1029 3HG2 VAL 127 3HG2 VAL 127 157.384 10.458 -6.777
1030 H SER 128 H SER 128 159.583 9.468 -2.491
1031 HA SER 128 HA SER 128 159.441 11.517 -0.321
1032 1HB SER 128 1HB SER 128 160.184 8.892 -0.267
1033 2HB SER 128 2HB SER 128 161.741 9.655 -0.576
1034 HG SER 128 HG SER 128 161.743 10.216 1.439
1035 H GLN 129 H GLN 129 161.564 12.738 -0.063
1036 HA GLN 129 HA GLN 129 162.212 14.582 -1.751
1037 1HB GLN 129 1HB GLN 129 163.560 13.641 0.260
1038 2HB GLN 129 2HB GLN 129 164.527 12.835 -0.977
1039 1HG GLN 129 1HG GLN 129 164.750 15.120 -2.092
1040 2HG GLN 129 2HG GLN 129 164.086 15.797 -0.605
1041 1HE2 GLN 129 2HE2 GLN 129 166.990 14.811 -2.104
1042 2HE2 GLN 129 1HE2 GLN 129 167.972 14.772 -0.720
1043 H ASN 130 H ASN 130 163.555 11.369 -2.380
1044 HA ASN 130 HA ASN 130 163.281 11.861 -5.277
1045 1HB ASN 130 1HB ASN 130 165.661 11.148 -5.618
1046 2HB ASN 130 2HB ASN 130 165.523 12.656 -4.713
1047 1HD2 ASN 130 2HD2 ASN 130 167.149 12.609 -3.147
1048 2HD2 ASN 130 1HD2 ASN 130 167.476 11.289 -2.130
1049 H ARG 131 H ARG 131 161.841 10.057 -3.506
1050 HA ARG 131 HA ARG 131 162.719 7.461 -4.740
1051 1HB ARG 131 1HB ARG 131 161.491 7.971 -2.007
1052 2HB ARG 131 2HB ARG 131 161.888 6.381 -2.664
1053 1HG ARG 131 1HG ARG 131 164.260 7.042 -2.838
1054 2HG ARG 131 2HG ARG 131 163.865 8.627 -2.175
1055 1HD ARG 131 1HD ARG 131 162.970 7.453 -0.115
1056 2HD ARG 131 2HD ARG 131 163.653 5.948 -0.766
1057 HE ARG 131 HE ARG 131 165.752 7.719 -0.979
1058 1HH1 ARG 131 1HH1 ARG 131 163.612 6.742 1.547
1059 2HH1 ARG 131 2HH1 ARG 131 164.750 7.065 2.812
1060 1HH2 ARG 131 1HH2 ARG 131 167.241 8.149 0.657
1061 2HH2 ARG 131 2HH2 ARG 131 166.804 7.863 2.308
1062 H GLU 132 H GLU 132 161.065 6.386 -5.829
1063 HA GLU 132 HA GLU 132 158.335 7.618 -5.640
1064 1HB GLU 132 1HB GLU 132 159.635 8.058 -7.721
1065 2HB GLU 132 2HB GLU 132 159.747 6.318 -7.993
1066 1HG GLU 132 1HG GLU 132 157.284 6.171 -8.077
1067 2HG GLU 132 2HG GLU 132 157.173 7.912 -7.812
1068 H TYR 133 H TYR 133 157.050 6.180 -4.543
1069 HA TYR 133 HA TYR 133 157.045 3.337 -5.465
1070 1HB TYR 133 1HB TYR 133 156.874 2.734 -2.997
1071 2HB TYR 133 2HB TYR 133 158.440 3.374 -3.497
1072 HD1 TYR 133 HD1 TYR 133 158.795 5.938 -3.240
1073 HD2 TYR 133 HD2 TYR 133 155.693 3.740 -1.240
1074 HE1 TYR 133 HE1 TYR 133 158.570 7.767 -1.579
1075 HE2 TYR 133 HE2 TYR 133 155.470 5.571 0.422
1076 HH TYR 133 HH TYR 133 157.747 7.984 0.816
1077 H PHE 134 H PHE 134 154.973 2.333 -5.238
1078 HA PHE 134 HA PHE 134 152.791 3.983 -4.063
1079 1HB PHE 134 1HB PHE 134 151.445 3.703 -6.069
1080 2HB PHE 134 2HB PHE 134 152.993 4.412 -6.525
1081 HD1 PHE 134 HD1 PHE 134 151.274 1.099 -6.179
1082 HD2 PHE 134 HD2 PHE 134 154.300 3.398 -8.184
1083 HE1 PHE 134 HE1 PHE 134 151.672 -0.787 -7.741
1084 HE2 PHE 134 HE2 PHE 134 154.700 1.511 -9.744
1085 HZ PHE 134 HZ PHE 134 153.385 -0.581 -9.523
1086 H LYS 135 H LYS 135 151.000 2.705 -3.347
1087 HA LYS 135 HA LYS 135 151.408 -0.251 -3.416
1088 1HB LYS 135 1HB LYS 135 152.343 0.435 -1.361
1089 2HB LYS 135 2HB LYS 135 151.140 1.707 -1.141
1090 1HG LYS 135 1HG LYS 135 149.397 0.027 -0.803
1091 2HG LYS 135 2HG LYS 135 150.572 -1.264 -1.049
1092 1HD LYS 135 1HD LYS 135 151.763 -0.699 0.938
1093 2HD LYS 135 2HD LYS 135 150.921 0.843 1.090
1094 1HE LYS 135 1HE LYS 135 149.137 -0.113 2.139
1095 2HE LYS 135 2HE LYS 135 149.120 -1.497 1.028
1096 1HZ LYS 135 1HZ LYS 135 151.491 -1.430 2.619
1097 2HZ LYS 135 2HZ LYS 135 150.102 -1.496 3.590
1098 3HZ LYS 135 3HZ LYS 135 150.369 -2.690 2.413
1099 H ILE 136 H ILE 136 149.468 -1.424 -3.441
1100 HA ILE 136 HA ILE 136 146.928 0.160 -3.330
1101 HB ILE 136 HB ILE 136 147.618 -2.248 -5.043
1102 1HG1 ILE 136 1HG1 ILE 136 147.109 0.509 -6.115
1103 2HG1 ILE 136 2HG1 ILE 136 148.708 0.128 -5.472
1104 1HG2 ILE 136 1HG2 ILE 136 145.155 -1.484 -4.238
1105 2HG2 ILE 136 2HG2 ILE 136 145.341 -0.436 -5.644
1106 3HG2 ILE 136 3HG2 ILE 136 145.463 -2.186 -5.826
1107 1HD1 ILE 136 1HD1 ILE 136 148.726 -1.908 -6.966
1108 2HD1 ILE 136 2HD1 ILE 136 147.249 -1.298 -7.711
1109 3HD1 ILE 136 3HD1 ILE 136 148.746 -0.372 -7.831
1110 H THR 137 H THR 137 145.508 -0.623 -1.766
1111 HA THR 137 HA THR 137 146.104 -3.390 -0.737
1112 HB THR 137 HB THR 137 144.916 -1.385 1.085
1113 HG1 THR 137 HG1 THR 137 146.327 0.064 0.500
1114 1HG2 THR 137 1HG2 THR 137 147.228 -3.331 1.222
1115 2HG2 THR 137 2HG2 THR 137 146.685 -2.337 2.573
1116 3HG2 THR 137 3HG2 THR 137 145.614 -3.562 1.894
1117 H LEU 138 H LEU 138 144.296 -4.503 0.256
1118 HA LEU 138 HA LEU 138 141.588 -3.413 -0.401
1119 1HB LEU 138 1HB LEU 138 142.076 -5.146 -2.027
1120 2HB LEU 138 2HB LEU 138 142.661 -6.239 -0.775
1121 HG LEU 138 HG LEU 138 140.327 -6.082 0.256
1122 1HD1 LEU 138 1HD1 LEU 138 140.033 -4.093 -1.692
1123 2HD1 LEU 138 2HD1 LEU 138 139.079 -5.449 -2.294
1124 3HD1 LEU 138 3HD1 LEU 138 138.751 -4.781 -0.696
1125 1HD2 LEU 138 1HD2 LEU 138 141.098 -8.037 -1.069
1126 2HD2 LEU 138 2HD2 LEU 138 139.379 -7.727 -1.309
1127 3HD2 LEU 138 3HD2 LEU 138 140.540 -7.241 -2.541
1128 H TYR 139 H TYR 139 140.340 -3.365 1.452
1129 HA TYR 139 HA TYR 139 141.145 -5.176 3.690
1130 1HB TYR 139 1HB TYR 139 140.759 -3.163 5.190
1131 2HB TYR 139 2HB TYR 139 142.173 -3.073 4.148
1132 HD1 TYR 139 HD1 TYR 139 138.492 -2.330 3.753
1133 HD2 TYR 139 HD2 TYR 139 142.541 -0.970 3.281
1134 HE1 TYR 139 HE1 TYR 139 137.667 -0.179 2.839
1135 HE2 TYR 139 HE2 TYR 139 141.712 1.178 2.365
1136 HH TYR 139 HH TYR 139 138.292 1.984 2.379
1137 H GLY 140 H GLY 140 139.398 -4.980 5.519
1138 1HA GLY 140 1HA GLY 140 136.744 -5.137 4.148
1139 2HA GLY 140 2HA GLY 140 137.242 -6.271 5.393
1140 H ARG 141 H ARG 141 135.624 -3.404 4.764
1141 HA ARG 141 HA ARG 141 135.896 -2.122 7.374
1142 1HB ARG 141 1HB ARG 141 135.383 -0.635 5.700
1143 2HB ARG 141 2HB ARG 141 134.418 -1.807 4.810
1144 1HG ARG 141 1HG ARG 141 132.526 -1.485 6.193
1145 2HG ARG 141 2HG ARG 141 133.477 -0.727 7.465
1146 1HD ARG 141 1HD ARG 141 131.980 0.670 5.643
1147 2HD ARG 141 2HD ARG 141 133.391 1.343 6.460
1148 HE ARG 141 HE ARG 141 134.000 -0.177 4.018
1149 1HH1 ARG 141 1HH1 ARG 141 133.350 2.869 5.508
1150 2HH1 ARG 141 2HH1 ARG 141 134.033 3.788 4.210
1151 1HH2 ARG 141 1HH2 ARG 141 134.877 1.005 2.315
1152 2HH2 ARG 141 2HH2 ARG 141 134.888 2.736 2.399
1153 H THR 142 H THR 142 134.462 -4.968 6.487
1154 HA THR 142 HA THR 142 132.217 -4.632 8.450
1155 HB THR 142 HB THR 142 131.171 -6.476 7.257
1156 HG1 THR 142 HG1 THR 142 132.254 -7.668 5.816
1157 1HG2 THR 142 1HG2 THR 142 131.610 -3.998 6.186
1158 2HG2 THR 142 2HG2 THR 142 132.209 -5.043 4.898
1159 3HG2 THR 142 3HG2 THR 142 130.550 -5.215 5.473
1160 H LYS 143 H LYS 143 131.798 -6.811 9.651
1161 HA LYS 143 HA LYS 143 134.180 -7.549 11.119
1162 1HB LYS 143 1HB LYS 143 132.622 -9.005 12.287
1163 2HB LYS 143 2HB LYS 143 131.779 -7.499 11.916
1164 1HG LYS 143 1HG LYS 143 130.857 -8.572 9.857
1165 2HG LYS 143 2HG LYS 143 131.609 -10.089 10.348
1166 1HD LYS 143 1HD LYS 143 130.322 -9.905 12.524
1167 2HD LYS 143 2HD LYS 143 129.441 -8.557 11.803
1168 1HE LYS 143 1HE LYS 143 129.276 -10.473 9.820
1169 2HE LYS 143 2HE LYS 143 129.153 -11.441 11.302
1170 1HZ LYS 143 1HZ LYS 143 127.711 -8.910 11.264
1171 2HZ LYS 143 2HZ LYS 143 127.084 -10.144 10.280
1172 3HZ LYS 143 3HZ LYS 143 127.269 -10.397 11.950
1173 H GLU 144 H GLU 144 132.489 -8.880 8.337
1174 HA GLU 144 HA GLU 144 134.658 -10.902 8.049
1175 1HB GLU 144 1HB GLU 144 132.947 -12.639 7.644
1176 2HB GLU 144 2HB GLU 144 132.754 -11.935 9.249
1177 1HG GLU 144 1HG GLU 144 130.971 -10.473 8.428
1178 2HG GLU 144 2HG GLU 144 131.192 -11.091 6.790
1179 H LEU 145 H LEU 145 134.913 -11.611 5.840
1180 HA LEU 145 HA LEU 145 133.426 -9.951 3.840
1181 1HB LEU 145 1HB LEU 145 136.140 -10.005 4.435
1182 2HB LEU 145 2HB LEU 145 136.020 -11.063 3.028
1183 HG LEU 145 HG LEU 145 134.549 -8.455 2.980
1184 1HD1 LEU 145 1HD1 LEU 145 137.493 -8.800 3.065
1185 2HD1 LEU 145 2HD1 LEU 145 136.874 -7.745 1.794
1186 3HD1 LEU 145 3HD1 LEU 145 136.508 -7.397 3.485
1187 1HD2 LEU 145 1HD2 LEU 145 136.014 -10.140 0.924
1188 2HD2 LEU 145 2HD2 LEU 145 134.266 -10.030 1.130
1189 3HD2 LEU 145 3HD2 LEU 145 135.177 -8.631 0.566
1190 H THR 146 H THR 146 134.851 -11.691 1.749
1191 HA THR 146 HA THR 146 133.126 -14.128 2.094
1192 HB THR 146 HB THR 146 132.805 -14.024 -0.293
1193 HG1 THR 146 HG1 THR 146 134.454 -13.349 -1.381
1194 1HG2 THR 146 1HG2 THR 146 131.643 -12.296 1.222
1195 2HG2 THR 146 2HG2 THR 146 132.791 -11.131 0.563
1196 3HG2 THR 146 3HG2 THR 146 131.662 -11.959 -0.509
1197 H SER 147 H SER 147 134.100 -16.150 1.565
1198 HA SER 147 HA SER 147 136.972 -16.330 1.834
1199 1HB SER 147 1HB SER 147 136.522 -18.730 1.499
1200 2HB SER 147 2HB SER 147 135.325 -18.032 2.586
1201 HG SER 147 HG SER 147 135.070 -18.634 -0.174
1202 H GLU 148 H GLU 148 134.838 -15.899 -0.818
1203 HA GLU 148 HA GLU 148 136.594 -16.811 -2.952
1204 1HB GLU 148 1HB GLU 148 134.103 -16.473 -3.089
1205 2HB GLU 148 2HB GLU 148 134.382 -14.737 -2.956
1206 1HG GLU 148 1HG GLU 148 135.724 -14.765 -5.007
1207 2HG GLU 148 2HG GLU 148 135.526 -16.514 -5.132
1208 H LEU 149 H LEU 149 136.213 -13.937 -1.051
1209 HA LEU 149 HA LEU 149 137.311 -11.961 -2.674
1210 1HB LEU 149 1HB LEU 149 137.079 -10.764 -0.758
1211 2HB LEU 149 2HB LEU 149 136.481 -12.260 -0.048
1212 HG LEU 149 HG LEU 149 138.992 -12.796 0.386
1213 1HD1 LEU 149 1HD1 LEU 149 139.300 -10.420 -1.012
1214 2HD1 LEU 149 2HD1 LEU 149 139.500 -9.921 0.668
1215 3HD1 LEU 149 3HD1 LEU 149 140.533 -11.181 -0.006
1216 1HD2 LEU 149 1HD2 LEU 149 137.239 -12.174 2.104
1217 2HD2 LEU 149 2HD2 LEU 149 138.880 -11.696 2.537
1218 3HD2 LEU 149 3HD2 LEU 149 137.746 -10.495 1.920
1219 H LYS 150 H LYS 150 138.959 -14.600 -1.075
1220 HA LYS 150 HA LYS 150 141.631 -13.501 -1.116
1221 1HB LYS 150 1HB LYS 150 140.515 -16.323 -1.102
1222 2HB LYS 150 2HB LYS 150 142.208 -15.931 -0.806
1223 1HG LYS 150 1HG LYS 150 141.560 -14.537 1.119
1224 2HG LYS 150 2HG LYS 150 139.861 -14.910 0.822
1225 1HD LYS 150 1HD LYS 150 140.394 -16.497 2.443
1226 2HD LYS 150 2HD LYS 150 140.690 -17.407 0.962
1227 1HE LYS 150 1HE LYS 150 142.834 -17.717 1.612
1228 2HE LYS 150 2HE LYS 150 143.082 -15.960 1.576
1229 1HZ LYS 150 1HZ LYS 150 141.628 -16.210 3.787
1230 2HZ LYS 150 2HZ LYS 150 142.453 -17.694 3.826
1231 3HZ LYS 150 3HZ LYS 150 143.324 -16.236 3.791
1232 H GLU 151 H GLU 151 140.176 -16.038 -3.186
1233 HA GLU 151 HA GLU 151 142.227 -15.986 -5.170
1234 1HB GLU 151 1HB GLU 151 139.317 -16.810 -5.169
1235 2HB GLU 151 2HB GLU 151 140.407 -17.134 -6.518
1236 1HG GLU 151 1HG GLU 151 141.869 -18.451 -5.092
1237 2HG GLU 151 2HG GLU 151 140.916 -18.031 -3.668
1238 H ASN 152 H ASN 152 139.168 -14.309 -4.875
1239 HA ASN 152 HA ASN 152 139.049 -13.137 -7.455
1240 1HB ASN 152 1HB ASN 152 137.094 -13.108 -6.155
1241 2HB ASN 152 2HB ASN 152 137.943 -12.542 -4.718
1242 1HD2 ASN 152 2HD2 ASN 152 138.914 -10.230 -4.983
1243 2HD2 ASN 152 1HD2 ASN 152 137.958 -9.098 -5.807
1244 H PHE 153 H PHE 153 140.559 -11.908 -4.446
1245 HA PHE 153 HA PHE 153 141.285 -9.339 -5.524
1246 1HB PHE 153 1HB PHE 153 141.211 -10.028 -3.102
1247 2HB PHE 153 2HB PHE 153 142.669 -10.985 -3.378
1248 HD1 PHE 153 HD1 PHE 153 141.402 -7.530 -4.140
1249 HD2 PHE 153 HD2 PHE 153 144.702 -9.963 -2.854
1250 HE1 PHE 153 HE1 PHE 153 142.793 -5.494 -3.867
1251 HE2 PHE 153 HE2 PHE 153 146.097 -7.927 -2.586
1252 HZ PHE 153 HZ PHE 153 145.142 -5.692 -3.092
1253 H ILE 154 H ILE 154 142.962 -12.481 -5.422
1254 HA ILE 154 HA ILE 154 145.434 -11.524 -6.602
1255 HB ILE 154 HB ILE 154 144.443 -14.341 -6.922
1256 1HG1 ILE 154 1HG1 ILE 154 144.629 -12.836 -4.366
1257 2HG1 ILE 154 2HG1 ILE 154 143.683 -14.263 -4.772
1258 1HG2 ILE 154 1HG2 ILE 154 146.780 -13.423 -7.520
1259 2HG2 ILE 154 2HG2 ILE 154 147.056 -13.351 -5.779
1260 3HG2 ILE 154 3HG2 ILE 154 146.713 -14.897 -6.555
1261 1HD1 ILE 154 1HD1 ILE 154 145.977 -15.494 -4.804
1262 2HD1 ILE 154 2HD1 ILE 154 146.550 -14.102 -3.885
1263 3HD1 ILE 154 3HD1 ILE 154 145.244 -15.101 -3.246
1264 H ARG 155 H ARG 155 142.620 -13.289 -7.951
1265 HA ARG 155 HA ARG 155 143.616 -13.502 -10.599
1266 1HB ARG 155 1HB ARG 155 141.384 -14.210 -11.096
1267 2HB ARG 155 2HB ARG 155 141.661 -14.668 -9.416
1268 1HG ARG 155 1HG ARG 155 140.529 -12.595 -8.674
1269 2HG ARG 155 2HG ARG 155 140.209 -12.182 -10.360
1270 1HD ARG 155 1HD ARG 155 139.003 -14.397 -10.589
1271 2HD ARG 155 2HD ARG 155 139.150 -14.576 -8.829
1272 HE ARG 155 HE ARG 155 138.140 -11.972 -9.354
1273 1HH1 ARG 155 1HH1 ARG 155 137.285 -15.303 -9.637
1274 2HH1 ARG 155 2HH1 ARG 155 135.585 -15.015 -9.485
1275 1HH2 ARG 155 1HH2 ARG 155 135.924 -11.580 -9.153
1276 2HH2 ARG 155 2HH2 ARG 155 134.814 -12.908 -9.211
1277 H PHE 156 H PHE 156 141.485 -11.021 -9.149
1278 HA PHE 156 HA PHE 156 141.043 -9.479 -11.516
1279 1HB PHE 156 1HB PHE 156 140.106 -9.467 -9.020
1280 2HB PHE 156 2HB PHE 156 141.347 -8.235 -8.804
1281 HD1 PHE 156 HD1 PHE 156 141.397 -6.293 -10.537
1282 HD2 PHE 156 HD2 PHE 156 138.031 -8.901 -9.962
1283 HE1 PHE 156 HE1 PHE 156 139.913 -4.614 -11.603
1284 HE2 PHE 156 HE2 PHE 156 136.548 -7.223 -11.027
1285 HZ PHE 156 HZ PHE 156 137.489 -5.079 -11.847
1286 H SER 157 H SER 157 143.375 -8.926 -8.849
1287 HA SER 157 HA SER 157 144.866 -6.838 -10.103
1288 1HB SER 157 1HB SER 157 145.612 -8.974 -8.079
1289 2HB SER 157 2HB SER 157 146.582 -7.542 -8.413
1290 HG SER 157 HG SER 157 144.987 -7.458 -6.616
1291 H LYS 158 H LYS 158 145.285 -10.393 -10.170
1292 HA LYS 158 HA LYS 158 147.770 -10.432 -11.556
1293 1HB LYS 158 1HB LYS 158 146.670 -12.324 -10.355
1294 2HB LYS 158 2HB LYS 158 145.473 -12.409 -11.648
1295 1HG LYS 158 1HG LYS 158 147.193 -12.929 -13.283
1296 2HG LYS 158 2HG LYS 158 148.460 -12.690 -12.079
1297 1HD LYS 158 1HD LYS 158 146.272 -14.710 -11.624
1298 2HD LYS 158 2HD LYS 158 147.696 -15.123 -12.581
1299 1HE LYS 158 1HE LYS 158 147.731 -14.079 -9.724
1300 2HE LYS 158 2HE LYS 158 148.086 -15.742 -10.232
1301 1HZ LYS 158 1HZ LYS 158 149.661 -14.435 -11.888
1302 2HZ LYS 158 2HZ LYS 158 149.658 -13.309 -10.616
1303 3HZ LYS 158 3HZ LYS 158 150.180 -14.902 -10.342
1304 H SER 159 H SER 159 144.430 -10.615 -12.813
1305 HA SER 159 HA SER 159 145.102 -10.913 -15.544
1306 1HB SER 159 1HB SER 159 142.755 -9.733 -14.065
1307 2HB SER 159 2HB SER 159 142.757 -9.890 -15.819
1308 HG SER 159 HG SER 159 143.173 -12.140 -15.497
1309 H LEU 160 H LEU 160 144.629 -8.032 -13.618
1310 HA LEU 160 HA LEU 160 145.131 -6.249 -15.893
1311 1HB LEU 160 1HB LEU 160 144.600 -5.862 -12.936
1312 2HB LEU 160 2HB LEU 160 144.738 -4.537 -14.093
1313 HG LEU 160 HG LEU 160 142.936 -6.598 -15.042
1314 1HD1 LEU 160 1HD1 LEU 160 142.745 -5.800 -12.235
1315 2HD1 LEU 160 2HD1 LEU 160 141.275 -5.437 -13.140
1316 3HD1 LEU 160 3HD1 LEU 160 141.897 -7.087 -13.093
1317 1HD2 LEU 160 1HD2 LEU 160 142.994 -3.627 -14.625
1318 2HD2 LEU 160 2HD2 LEU 160 142.717 -4.542 -16.108
1319 3HD2 LEU 160 3HD2 LEU 160 141.435 -4.404 -14.906
1320 H GLY 161 H GLY 161 146.580 -6.952 -12.740
1321 1HA GLY 161 1HA GLY 161 148.933 -5.322 -13.492
1322 2HA GLY 161 2HA GLY 161 148.520 -5.838 -11.863
1323 H LEU 162 H LEU 162 148.158 -8.496 -13.823
1324 HA LEU 162 HA LEU 162 149.390 -10.533 -13.719
1325 1HB LEU 162 1HB LEU 162 151.787 -9.030 -14.657
1326 2HB LEU 162 2HB LEU 162 151.003 -10.429 -15.369
1327 HG LEU 162 HG LEU 162 150.606 -8.744 -16.933
1328 1HD1 LEU 162 1HD1 LEU 162 148.458 -9.790 -15.578
1329 2HD1 LEU 162 2HD1 LEU 162 148.121 -8.059 -15.537
1330 3HD1 LEU 162 3HD1 LEU 162 148.360 -8.876 -17.081
1331 1HD2 LEU 162 1HD2 LEU 162 151.069 -7.052 -14.741
1332 2HD2 LEU 162 2HD2 LEU 162 150.842 -6.576 -16.425
1333 3HD2 LEU 162 3HD2 LEU 162 149.459 -6.631 -15.332
1334 HA PRO 163 HA PRO 163 152.471 -10.484 -10.477
1335 1HB PRO 163 1HB PRO 163 154.542 -12.021 -11.390
1336 2HB PRO 163 2HB PRO 163 152.933 -12.685 -11.048
1337 1HG PRO 163 1HG PRO 163 154.251 -12.289 -13.611
1338 2HG PRO 163 2HG PRO 163 152.814 -13.241 -13.224
1339 1HD PRO 163 1HD PRO 163 152.980 -10.582 -14.379
1340 2HD PRO 163 2HD PRO 163 151.559 -11.630 -14.194
1341 H GLU 164 H GLU 164 152.751 -8.077 -11.888
1342 HA GLU 164 HA GLU 164 155.176 -7.537 -13.146
1343 1HB GLU 164 1HB GLU 164 153.505 -5.703 -11.421
1344 2HB GLU 164 2HB GLU 164 154.600 -5.192 -12.705
1345 1HG GLU 164 1HG GLU 164 152.600 -7.226 -13.483
1346 2HG GLU 164 2HG GLU 164 151.946 -5.639 -13.082
1347 H ASN 165 H ASN 165 154.386 -6.918 -9.771
1348 HA ASN 165 HA ASN 165 157.315 -6.916 -9.112
1349 1HB ASN 165 1HB ASN 165 156.216 -4.647 -9.649
1350 2HB ASN 165 2HB ASN 165 155.341 -4.847 -8.131
1351 1HD2 ASN 165 2HD2 ASN 165 158.720 -4.940 -9.398
1352 2HD2 ASN 165 1HD2 ASN 165 159.420 -4.304 -7.988
1353 H HIS 166 H HIS 166 155.889 -5.634 -6.508
1354 HA HIS 166 HA HIS 166 155.676 -8.259 -5.127
1355 1HB HIS 166 1HB HIS 166 155.823 -5.391 -4.137
1356 2HB HIS 166 2HB HIS 166 155.947 -6.834 -3.128
1357 HD1 HIS 166 HD1 HIS 166 157.899 -8.602 -4.348
1358 HD2 HIS 166 HD2 HIS 166 158.365 -4.471 -4.663
1359 HE1 HIS 166 HE1 HIS 166 160.343 -8.195 -4.871
1360 H ILE 167 H ILE 167 153.497 -7.989 -6.673
1361 HA ILE 167 HA ILE 167 151.398 -6.492 -5.204
1362 HB ILE 167 HB ILE 167 151.501 -7.872 -7.904
1363 1HG1 ILE 167 1HG1 ILE 167 151.601 -4.910 -7.285
1364 2HG1 ILE 167 2HG1 ILE 167 153.054 -5.888 -7.489
1365 1HG2 ILE 167 1HG2 ILE 167 149.290 -6.891 -6.404
1366 2HG2 ILE 167 2HG2 ILE 167 149.576 -5.752 -7.720
1367 3HG2 ILE 167 3HG2 ILE 167 149.297 -7.457 -8.075
1368 1HD1 ILE 167 1HD1 ILE 167 151.469 -6.571 -9.682
1369 2HD1 ILE 167 2HD1 ILE 167 151.247 -4.829 -9.517
1370 3HD1 ILE 167 3HD1 ILE 167 152.869 -5.498 -9.705
1371 H VAL 168 H VAL 168 151.174 -8.114 -3.430
1372 HA VAL 168 HA VAL 168 149.591 -10.499 -4.287
1373 HB VAL 168 HB VAL 168 151.865 -10.495 -2.290
1374 1HG1 VAL 168 1HG1 VAL 168 150.043 -12.587 -3.455
1375 2HG1 VAL 168 2HG1 VAL 168 151.654 -13.029 -2.891
1376 3HG1 VAL 168 3HG1 VAL 168 150.489 -12.322 -1.768
1377 1HG2 VAL 168 1HG2 VAL 168 151.767 -11.015 -5.249
1378 2HG2 VAL 168 2HG2 VAL 168 152.989 -10.157 -4.311
1379 3HG2 VAL 168 3HG2 VAL 168 152.904 -11.917 -4.247
1380 H PHE 169 H PHE 169 148.762 -11.651 -2.176
1381 HA PHE 169 HA PHE 169 147.927 -9.561 -0.192
1382 1HB PHE 169 1HB PHE 169 145.746 -10.365 -0.312
1383 2HB PHE 169 2HB PHE 169 146.273 -10.671 -1.963
1384 HD1 PHE 169 HD1 PHE 169 147.532 -13.036 -2.268
1385 HD2 PHE 169 HD2 PHE 169 144.711 -12.094 0.832
1386 HE1 PHE 169 HE1 PHE 169 147.080 -15.454 -1.943
1387 HE2 PHE 169 HE2 PHE 169 144.261 -14.510 1.158
1388 HZ PHE 169 HZ PHE 169 145.445 -16.190 -0.229
1389 HA PRO 170 HA PRO 170 150.138 -12.935 1.997
1390 1HB PRO 170 1HB PRO 170 151.985 -11.352 3.231
1391 2HB PRO 170 2HB PRO 170 152.220 -11.992 1.594
1392 1HG PRO 170 1HG PRO 170 151.515 -9.265 2.463
1393 2HG PRO 170 2HG PRO 170 152.366 -9.809 1.017
1394 1HD PRO 170 1HD PRO 170 149.680 -9.007 1.173
1395 2HD PRO 170 2HD PRO 170 150.471 -9.809 -0.200
1396 H VAL 171 H VAL 171 147.772 -11.347 2.639
1397 HA VAL 171 HA VAL 171 148.210 -10.596 5.484
1398 HB VAL 171 HB VAL 171 146.274 -9.866 3.290
1399 1HG1 VAL 171 1HG1 VAL 171 145.823 -9.814 6.207
1400 2HG1 VAL 171 2HG1 VAL 171 145.516 -8.284 5.388
1401 3HG1 VAL 171 3HG1 VAL 171 144.660 -9.742 4.887
1402 1HG2 VAL 171 1HG2 VAL 171 148.088 -8.260 5.119
1403 2HG2 VAL 171 2HG2 VAL 171 148.430 -8.674 3.439
1404 3HG2 VAL 171 3HG2 VAL 171 147.090 -7.594 3.826
1405 HA PRO 172 HA PRO 172 145.877 -14.382 6.230
1406 1HB PRO 172 1HB PRO 172 146.600 -14.571 8.863
1407 2HB PRO 172 2HB PRO 172 147.640 -15.125 7.536
1408 1HG PRO 172 1HG PRO 172 147.795 -12.637 9.150
1409 2HG PRO 172 2HG PRO 172 149.094 -13.637 8.483
1410 1HD PRO 172 1HD PRO 172 148.247 -11.262 7.389
1411 2HD PRO 172 2HD PRO 172 149.074 -12.547 6.483
1412 H ILE 173 H ILE 173 144.675 -14.657 8.778
1413 HA ILE 173 HA ILE 173 142.706 -12.429 8.670
1414 HB ILE 173 HB ILE 173 142.691 -15.086 10.145
1415 1HG1 ILE 173 1HG1 ILE 173 141.237 -14.333 7.596
1416 2HG1 ILE 173 2HG1 ILE 173 142.801 -15.148 7.594
1417 1HG2 ILE 173 1HG2 ILE 173 141.175 -13.248 11.017
1418 2HG2 ILE 173 2HG2 ILE 173 140.383 -13.251 9.442
1419 3HG2 ILE 173 3HG2 ILE 173 140.330 -14.691 10.458
1420 1HD1 ILE 173 1HD1 ILE 173 140.865 -16.400 9.402
1421 2HD1 ILE 173 2HD1 ILE 173 140.343 -16.411 7.717
1422 3HD1 ILE 173 3HD1 ILE 173 141.888 -17.134 8.167
1423 H ASP 174 H ASP 174 143.448 -14.279 11.600
1424 HA ASP 174 HA ASP 174 144.149 -13.524 13.734
1425 1HB ASP 174 1HB ASP 174 146.129 -13.527 12.075
1426 2HB ASP 174 2HB ASP 174 145.956 -11.771 12.062
1427 H GLN 175 H GLN 175 141.840 -12.076 12.913
1428 HA GLN 175 HA GLN 175 142.085 -9.247 12.969
1429 1HB GLN 175 1HB GLN 175 139.705 -9.434 13.666
1430 2HB GLN 175 2HB GLN 175 140.083 -10.504 12.326
1431 1HG GLN 175 1HG GLN 175 140.454 -12.340 14.027
1432 2HG GLN 175 2HG GLN 175 139.813 -11.244 15.251
1433 1HE2 GLN 175 2HE2 GLN 175 137.623 -11.564 15.608
1434 2HE2 GLN 175 1HE2 GLN 175 136.501 -12.072 14.439
1435 H CYS 176 H CYS 176 142.284 -7.810 14.685
1436 HA CYS 176 HA CYS 176 143.545 -8.828 17.059
1437 1HB CYS 176 1HB CYS 176 143.436 -6.472 15.610
1438 2HB CYS 176 2HB CYS 176 142.613 -6.043 17.110
1439 H ILE 177 H ILE 177 140.233 -8.375 16.330
1440 HA ILE 177 HA ILE 177 139.335 -7.642 19.008
1441 HB ILE 177 HB ILE 177 137.146 -7.970 18.071
1442 1HG1 ILE 177 1HG1 ILE 177 137.760 -9.078 15.488
1443 2HG1 ILE 177 2HG1 ILE 177 138.401 -10.144 16.740
1444 1HG2 ILE 177 1HG2 ILE 177 139.229 -6.829 16.253
1445 2HG2 ILE 177 2HG2 ILE 177 137.591 -7.010 15.630
1446 3HG2 ILE 177 3HG2 ILE 177 137.886 -6.028 17.064
1447 1HD1 ILE 177 1HD1 ILE 177 136.074 -9.775 17.882
1448 2HD1 ILE 177 2HD1 ILE 177 135.558 -9.279 16.271
1449 3HD1 ILE 177 3HD1 ILE 177 136.192 -10.903 16.533
1450 H ASP 178 H ASP 178 140.516 -10.517 17.606
1451 HA ASP 178 HA ASP 178 139.031 -12.305 19.402
1452 1HB ASP 178 1HB ASP 178 141.031 -12.592 17.158
1453 2HB ASP 178 2HB ASP 178 140.449 -13.968 18.081
1454 H GLY 179 H GLY 179 141.686 -10.331 19.656
1455 1HA GLY 179 1HA GLY 179 143.118 -12.231 21.468
1456 2HA GLY 179 2HA GLY 179 143.915 -10.915 20.606
!
! Distance Restraints
!
!! Intra-residue
assign (resid 8 and name HN )(resid 8 and name HD++ ) 0.0 0.0 5.5
assign (resid 26 and name HD21 )(resid 26 and name HN ) 0.0 0.0 5.0
assign (resid 27 and name HE22 )(resid 27 and name HB2 ) 0.0 0.0 5.0
assign (resid 59 and name HN )(resid 59 and name HD1+ ) 0.0 0.0 5.8
assign (resid 59 and name HN )(resid 59 and name HD2+ ) 0.0 0.0 5.0
assign (resid 80 and name HE1 )(resid 80 and name HA ) 0.0 0.0 5.0
assign (resid 80 and name HE1 )(resid 80 and name HB2 ) 0.0 0.0 5.0
assign (resid 80 and name HE1 )(resid 80 and name HD1 ) 0.0 0.0 3.3
assign (resid 117 and name HD21 )(resid 117 and name HB2 ) 0.0 0.0 4.2
assign (resid 117 and name HD21 )(resid 117 and name HB2 ) 0.0 0.0 4.2
assign (resid 118 and name HE22 )(resid 118 and name HB2 ) 0.0 0.0 5.0
assign (resid 118 and name HE22 )(resid 118 and name HG+ ) 0.0 0.0 5.8
assign (resid 125 and name HN )(resid 125 and name HE+ ) 0.0 0.0 5.0
assign (resid 148 and name HN )(resid 148 and name HB1 ) 0.0 0.0 2.8
assign (resid 3 and name HN )(resid 3 and name HB+ ) 0.0 0.0 5.0
assign (resid 4 and name HN )(resid 4 and name HA ) 0.0 0.0 4.2
assign (resid 4 and name HN )(resid 4 and name HB+ ) 0.0 0.0 5.0
assign (resid 5 and name HN )(resid 5 and name HG+ ) 0.0 0.0 5.0
assign (resid 6 and name HN )(resid 6 and name HB+ ) 0.0 0.0 5.0
assign (resid 7 and name HN )(resid 7 and name HB+ ) 0.0 0.0 5.0
assign (resid 8 and name HN )(resid 8 and name HD++ ) 0.0 0.0 5.5
assign (resid 9 and name HN )(resid 9 and name HB ) 0.0 0.0 2.8
assign (resid 9 and name HN )(resid 9 and name HG11 ) 0.0 0.0 3.3
assign (resid 11 and name HN )(resid 11 and name HA ) 0.0 0.0 4.2
assign (resid 11 and name HN )(resid 11 and name HB+ ) 0.0 0.0 3.6
assign (resid 14 and name HN )(resid 14 and name HA ) 0.0 0.0 3.3
assign (resid 14 and name HN )(resid 14 and name HB2 ) 0.0 0.0 3.3
assign (resid 14 and name HN )(resid 14 and name HD1+ ) 0.0 0.0 5.0
assign (resid 14 and name HN )(resid 14 and name HD2+ ) 0.0 0.0 5.0
assign (resid 15 and name HN )(resid 15 and name HA ) 0.0 0.0 4.2
assign (resid 15 and name HN )(resid 15 and name HB+ ) 0.0 0.0 5.0
assign (resid 16 and name HN )(resid 16 and name HA ) 0.0 0.0 3.3
assign (resid 16 and name HN )(resid 16 and name HB1 ) 0.0 0.0 3.3
assign (resid 16 and name HN )(resid 16 and name HG+ ) 0.0 0.0 5.8
assign (resid 17 and name HN )(resid 17 and name HA ) 0.0 0.0 4.2
assign (resid 17 and name HN )(resid 17 and name HB ) 0.0 0.0 2.8
assign (resid 17 and name HN )(resid 17 and name HG1+ ) 0.0 0.0 5.0
assign (resid 17 and name HN )(resid 17 and name HG2+ ) 0.0 0.0 4.1
assign (resid 19 and name HN )(resid 19 and name HA ) 0.0 0.0 4.2
assign (resid 19 and name HN )(resid 19 and name HB1 ) 0.0 0.0 3.3
assign (resid 19 and name HN )(resid 19 and name HB2 ) 0.0 0.0 4.2
assign (resid 19 and name HN )(resid 19 and name HD++ ) 0.0 0.0 5.5
assign (resid 20 and name HE21 )(resid 20 and name HA ) 0.0 0.0 4.2
assign (resid 20 and name HE21 )(resid 20 and name HG+ ) 0.0 0.0 3.6
assign (resid 20 and name HE22 )(resid 20 and name HA ) 0.0 0.0 5.0
assign (resid 20 and name HE22 )(resid 20 and name HA ) 0.0 0.0 5.0
assign (resid 20 and name HE22 )(resid 20 and name HA ) 0.0 0.0 5.0
assign (resid 20 and name HE22 )(resid 20 and name HA ) 0.0 0.0 5.0
assign (resid 20 and name HE22 )(resid 20 and name HG+ ) 0.0 0.0 5.0
assign (resid 20 and name HN )(resid 20 and name HA ) 0.0 0.0 3.3
assign (resid 20 and name HN )(resid 20 and name HB1 ) 0.0 0.0 2.8
assign (resid 20 and name HN )(resid 20 and name HB2 ) 0.0 0.0 2.8
assign (resid 20 and name HN )(resid 20 and name HG+ ) 0.0 0.0 5.0
assign (resid 21 and name HE21 )(resid 21 and name HA ) 0.0 0.0 5.0
assign (resid 21 and name HE21 )(resid 21 and name HB+ ) 0.0 0.0 5.0
assign (resid 21 and name HE21 )(resid 21 and name HB+ ) 0.0 0.0 5.0
assign (resid 21 and name HE21 )(resid 21 and name HG+ ) 0.0 0.0 5.0
assign (resid 21 and name HE22 )(resid 21 and name HA ) 0.0 0.0 5.0
assign (resid 21 and name HE22 )(resid 21 and name HB+ ) 0.0 0.0 5.8
assign (resid 21 and name HE22 )(resid 21 and name HG+ ) 0.0 0.0 5.0
assign (resid 21 and name HN )(resid 21 and name HA ) 0.0 0.0 5.0
assign (resid 21 and name HN )(resid 21 and name HB+ ) 0.0 0.0 3.6
assign (resid 21 and name HN )(resid 21 and name HG+ ) 0.0 0.0 4.1
assign (resid 22 and name HD21 )(resid 22 and name HB1 ) 0.0 0.0 5.0
assign (resid 22 and name HD21 )(resid 22 and name HB2 ) 0.0 0.0 5.0
assign (resid 22 and name HD22 )(resid 22 and name HB1 ) 0.0 0.0 5.0
assign (resid 22 and name HD22 )(resid 22 and name HB2 ) 0.0 0.0 5.0
assign (resid 22 and name HN )(resid 22 and name HA ) 0.0 0.0 3.3
assign (resid 22 and name HN )(resid 22 and name HB1 ) 0.0 0.0 5.0
assign (resid 23 and name HN )(resid 23 and name HA ) 0.0 0.0 3.3
assign (resid 23 and name HN )(resid 23 and name HB1 ) 0.0 0.0 2.8
assign (resid 23 and name HN )(resid 23 and name HB2 ) 0.0 0.0 2.8
assign (resid 23 and name HN )(resid 23 and name HD+ ) 0.0 0.0 5.5
assign (resid 24 and name HE21 )(resid 24 and name HA ) 0.0 0.0 5.0
assign (resid 24 and name HE21 )(resid 24 and name HB2 ) 0.0 0.0 5.0
assign (resid 24 and name HE21 )(resid 24 and name HG1 ) 0.0 0.0 4.2
assign (resid 24 and name HE21 )(resid 24 and name HG2 ) 0.0 0.0 4.2
assign (resid 24 and name HE22 )(resid 24 and name HA ) 0.0 0.0 5.0
assign (resid 24 and name HE22 )(resid 24 and name HG1 ) 0.0 0.0 5.0
assign (resid 24 and name HE22 )(resid 24 and name HG2 ) 0.0 0.0 4.2
assign (resid 24 and name HN )(resid 24 and name HA ) 0.0 0.0 3.3
assign (resid 24 and name HN )(resid 24 and name HB1 ) 0.0 0.0 4.2
assign (resid 24 and name HN )(resid 24 and name HB2 ) 0.0 0.0 3.3
assign (resid 24 and name HN )(resid 24 and name HE21 ) 0.0 0.0 2.8
assign (resid 24 and name HN )(resid 24 and name HE22 ) 0.0 0.0 3.3
assign (resid 24 and name HN )(resid 24 and name HG1 ) 0.0 0.0 3.3
assign (resid 25 and name HN )(resid 25 and name HA ) 0.0 0.0 2.8
assign (resid 25 and name HN )(resid 25 and name HB1 ) 0.0 0.0 3.3
assign (resid 25 and name HN )(resid 25 and name HB2 ) 0.0 0.0 4.2
assign (resid 26 and name HD21 )(resid 26 and name HA ) 0.0 0.0 5.0
assign (resid 26 and name HD21 )(resid 26 and name HD22 ) 0.0 0.0 2.8
assign (resid 26 and name HD22 )(resid 26 and name HB+ ) 0.0 0.0 5.8
assign (resid 26 and name HD22 )(resid 26 and name HD21 ) 0.0 0.0 2.8
assign (resid 26 and name HN )(resid 26 and name HA ) 0.0 0.0 3.3
assign (resid 26 and name HN )(resid 26 and name HB+ ) 0.0 0.0 4.1
assign (resid 27 and name HN )(resid 27 and name HA ) 0.0 0.0 3.3
assign (resid 27 and name HN )(resid 27 and name HB1 ) 0.0 0.0 3.3
assign (resid 27 and name HN )(resid 27 and name HB2 ) 0.0 0.0 3.3
assign (resid 27 and name HN )(resid 27 and name HG+ ) 0.0 0.0 4.1
assign (resid 28 and name HN )(resid 28 and name HA ) 0.0 0.0 3.3
assign (resid 28 and name HN )(resid 28 and name HB1 ) 0.0 0.0 3.3
assign (resid 28 and name HN )(resid 28 and name HB2 ) 0.0 0.0 2.8
assign (resid 29 and name HN )(resid 29 and name HB+ ) 0.0 0.0 3.7
assign (resid 30 and name HN )(resid 30 and name HA2 ) 0.0 0.0 3.3
assign (resid 30 and name HN )(resid 30 and name HA1 ) 0.0 0.0 2.8
assign (resid 31 and name HN )(resid 31 and name HB+ ) 0.0 0.0 3.6
assign (resid 32 and name HE1 )(resid 32 and name HB1 ) 0.0 0.0 5.0
assign (resid 32 and name HE1 )(resid 32 and name HB2 ) 0.0 0.0 5.0
assign (resid 32 and name HE1 )(resid 32 and name HD1 ) 0.0 0.0 2.8
assign (resid 32 and name HN )(resid 32 and name HA ) 0.0 0.0 5.0
assign (resid 32 and name HN )(resid 32 and name HB1 ) 0.0 0.0 5.0
assign (resid 32 and name HN )(resid 32 and name HB2 ) 0.0 0.0 5.0
assign (resid 32 and name HN )(resid 32 and name HE3 ) 0.0 0.0 5.0
assign (resid 33 and name HN )(resid 33 and name HB1 ) 0.0 0.0 3.3
assign (resid 33 and name HN )(resid 33 and name HB2 ) 0.0 0.0 3.3
assign (resid 33 and name HN )(resid 33 and name HD+ ) 0.0 0.0 4.2
assign (resid 34 and name HN )(resid 34 and name HA ) 0.0 0.0 4.2
assign (resid 34 and name HN )(resid 34 and name HB ) 0.0 0.0 3.3
assign (resid 34 and name HN )(resid 34 and name HG1+ ) 0.0 0.0 5.0
assign (resid 34 and name HN )(resid 34 and name HG2+ ) 0.0 0.0 4.1
assign (resid 35 and name HN )(resid 35 and name HB ) 0.0 0.0 2.8
assign (resid 35 and name HN )(resid 35 and name HG++ ) 0.0 0.0 4.2
assign (resid 36 and name HN )(resid 36 and name HA1 ) 0.0 0.0 3.3
assign (resid 36 and name HN )(resid 36 and name HA2 ) 0.0 0.0 3.3
assign (resid 37 and name HN )(resid 37 and name HA ) 0.0 0.0 3.3
assign (resid 37 and name HN )(resid 37 and name HD1+ ) 0.0 0.0 4.1
assign (resid 37 and name HN )(resid 37 and name HD2+ ) 0.0 0.0 5.0
assign (resid 38 and name HN )(resid 38 and name HA ) 0.0 0.0 4.2
assign (resid 38 and name HN )(resid 38 and name HB+ ) 0.0 0.0 4.1
assign (resid 39 and name HN )(resid 39 and name HA1 ) 0.0 0.0 3.3
assign (resid 39 and name HN )(resid 39 and name HA2 ) 0.0 0.0 3.3
assign (resid 40 and name HD21 )(resid 40 and name HB1 ) 0.0 0.0 5.0
assign (resid 40 and name HD22 )(resid 40 and name HB2 ) 0.0 0.0 4.2
assign (resid 40 and name HN )(resid 40 and name HA ) 0.0 0.0 3.3
assign (resid 40 and name HN )(resid 40 and name HB1 ) 0.0 0.0 4.2
assign (resid 40 and name HN )(resid 40 and name HB2 ) 0.0 0.0 4.2
assign (resid 41 and name HN )(resid 41 and name HB+ ) 0.0 0.0 3.6
assign (resid 42 and name HN )(resid 42 and name HA ) 0.0 0.0 3.3
assign (resid 42 and name HN )(resid 42 and name HB ) 0.0 0.0 2.8
assign (resid 42 and name HN )(resid 42 and name HG11 ) 0.0 0.0 3.3
assign (resid 43 and name HN )(resid 43 and name HA ) 0.0 0.0 4.2
assign (resid 43 and name HN )(resid 43 and name HD++ ) 0.0 0.0 4.7
assign (resid 44 and name HN )(resid 44 and name HA ) 0.0 0.0 3.3
assign (resid 44 and name HN )(resid 44 and name HB+ ) 0.0 0.0 3.6
assign (resid 44 and name HN )(resid 44 and name HD+ ) 0.0 0.0 5.0
assign (resid 46 and name HN )(resid 46 and name HB+ ) 0.0 0.0 3.6
assign (resid 47 and name HN )(resid 47 and name HA ) 0.0 0.0 3.3
assign (resid 48 and name HN )(resid 48 and name HA ) 0.0 0.0 3.3
assign (resid 48 and name HN )(resid 48 and name HB1 ) 0.0 0.0 3.3
assign (resid 48 and name HN )(resid 48 and name HB2 ) 0.0 0.0 3.3
assign (resid 52 and name HN )(resid 52 and name HA ) 0.0 0.0 4.2
assign (resid 52 and name HN )(resid 52 and name HB+ ) 0.0 0.0 3.6
assign (resid 52 and name HN )(resid 52 and name HG+ ) 0.0 0.0 3.6
assign (resid 53 and name HN )(resid 53 and name HA ) 0.0 0.0 4.2
assign (resid 54 and name HN )(resid 54 and name HA ) 0.0 0.0 4.2
assign (resid 54 and name HN )(resid 54 and name HB+ ) 0.0 0.0 3.6
assign (resid 55 and name HN )(resid 55 and name HB ) 0.0 0.0 3.3
assign (resid 55 and name HN )(resid 55 and name HG+ ) 0.0 0.0 5.0
assign (resid 56 and name HN )(resid 56 and name HA ) 0.0 0.0 4.2
assign (resid 56 and name HN )(resid 56 and name HG11 ) 0.0 0.0 3.3
assign (resid 57 and name HN )(resid 57 and name HA ) 0.0 0.0 4.2
assign (resid 57 and name HN )(resid 57 and name HB1 ) 0.0 0.0 4.2
assign (resid 57 and name HN )(resid 57 and name HB2 ) 0.0 0.0 4.2
assign (resid 57 and name HN )(resid 57 and name HD+ ) 0.0 0.0 4.7
assign (resid 58 and name HN )(resid 58 and name HA ) 0.0 0.0 3.3
assign (resid 58 and name HN )(resid 58 and name HB2 ) 0.0 0.0 3.3
assign (resid 59 and name HN )(resid 59 and name HA ) 0.0 0.0 4.2
assign (resid 59 and name HN )(resid 59 and name HB2 ) 0.0 0.0 3.3
assign (resid 59 and name HN )(resid 59 and name HB1 ) 0.0 0.0 4.2
assign (resid 60 and name HN )(resid 60 and name HB+ ) 0.0 0.0 4.1
assign (resid 61 and name HN )(resid 61 and name HA ) 0.0 0.0 3.3
assign (resid 61 and name HN )(resid 61 and name HG+ ) 0.0 0.0 4.1
assign (resid 62 and name HN )(resid 62 and name HA ) 0.0 0.0 3.3
assign (resid 62 and name HN )(resid 62 and name HB1 ) 0.0 0.0 4.2
assign (resid 62 and name HN )(resid 62 and name HB2 ) 0.0 0.0 4.2
assign (resid 63 and name HN )(resid 63 and name HA ) 0.0 0.0 2.8
assign (resid 63 and name HN )(resid 63 and name HB2 ) 0.0 0.0 4.2
assign (resid 63 and name HN )(resid 63 and name HG1 ) 0.0 0.0 4.2
assign (resid 63 and name HN )(resid 63 and name HG2 ) 0.0 0.0 4.2
assign (resid 64 and name HN )(resid 64 and name HA ) 0.0 0.0 3.3
assign (resid 64 and name HN )(resid 64 and name HB+ ) 0.0 0.0 4.1
assign (resid 65 and name HN )(resid 65 and name HA ) 0.0 0.0 4.2
assign (resid 65 and name HN )(resid 65 and name HB1 ) 0.0 0.0 4.2
assign (resid 65 and name HN )(resid 65 and name HB2 ) 0.0 0.0 3.3
assign (resid 65 and name HN )(resid 65 and name HD+ ) 0.0 0.0 5.5
assign (resid 66 and name HD21 )(resid 66 and name HB1 ) 0.0 0.0 4.2
assign (resid 66 and name HD21 )(resid 66 and name HB2 ) 0.0 0.0 4.2
assign (resid 66 and name HD22 )(resid 66 and name HB1 ) 0.0 0.0 4.2
assign (resid 66 and name HD22 )(resid 66 and name HB2 ) 0.0 0.0 5.0
assign (resid 66 and name HN )(resid 66 and name HB1 ) 0.0 0.0 3.3
assign (resid 66 and name HN )(resid 66 and name HB2 ) 0.0 0.0 3.3
assign (resid 67 and name HN )(resid 67 and name HB ) 0.0 0.0 2.8
assign (resid 67 and name HN )(resid 67 and name HG2+ ) 0.0 0.0 4.1
assign (resid 68 and name HN )(resid 68 and name HA ) 0.0 0.0 4.2
assign (resid 68 and name HN )(resid 68 and name HB ) 0.0 0.0 5.0
assign (resid 69 and name HN )(resid 69 and name HA ) 0.0 0.0 4.2
assign (resid 69 and name HN )(resid 69 and name HB+ ) 0.0 0.0 4.1
assign (resid 70 and name HN )(resid 70 and name HB ) 0.0 0.0 2.8
assign (resid 71 and name HN )(resid 71 and name HA ) 0.0 0.0 3.3
assign (resid 71 and name HN )(resid 71 and name HD1+ ) 0.0 0.0 4.1
assign (resid 71 and name HN )(resid 71 and name HD2+ ) 0.0 0.0 5.0
assign (resid 72 and name HN )(resid 72 and name HB1 ) 0.0 0.0 2.8
assign (resid 72 and name HN )(resid 72 and name HB2 ) 0.0 0.0 2.8
assign (resid 73 and name HN )(resid 73 and name HA ) 0.0 0.0 3.3
assign (resid 74 and name HN )(resid 74 and name HA ) 0.0 0.0 2.8
assign (resid 75 and name HN )(resid 75 and name HA ) 0.0 0.0 2.8
assign (resid 75 and name HN )(resid 75 and name HB+ ) 0.0 0.0 5.0
assign (resid 76 and name HN )(resid 76 and name HA ) 0.0 0.0 2.8
assign (resid 77 and name HN )(resid 77 and name HA ) 0.0 0.0 4.2
assign (resid 77 and name HN )(resid 77 and name HB+ ) 0.0 0.0 3.6
assign (resid 78 and name HN )(resid 78 and name HA ) 0.0 0.0 3.3
assign (resid 78 and name HN )(resid 78 and name HB+ ) 0.0 0.0 4.1
assign (resid 79 and name HN )(resid 79 and name HA ) 0.0 0.0 3.3
assign (resid 79 and name HN )(resid 79 and name HB2 ) 0.0 0.0 2.8
assign (resid 80 and name HN )(resid 80 and name HA ) 0.0 0.0 3.3
assign (resid 80 and name HN )(resid 80 and name HB1 ) 0.0 0.0 3.3
assign (resid 80 and name HN )(resid 80 and name HB2 ) 0.0 0.0 3.3
assign (resid 80 and name HN )(resid 80 and name HD1 ) 0.0 0.0 5.0
assign (resid 81 and name HN )(resid 81 and name HA ) 0.0 0.0 4.2
assign (resid 82 and name HN )(resid 82 and name HA ) 0.0 0.0 3.3
assign (resid 83 and name HN )(resid 83 and name HA ) 0.0 0.0 3.3
assign (resid 83 and name HN )(resid 83 and name HB ) 0.0 0.0 2.8
assign (resid 84 and name HN )(resid 84 and name HA ) 0.0 0.0 4.2
assign (resid 84 and name HN )(resid 84 and name HB2 ) 0.0 0.0 3.3
assign (resid 84 and name HN )(resid 84 and name HD+ ) 0.0 0.0 5.5
assign (resid 85 and name HN )(resid 85 and name HB ) 0.0 0.0 3.3
assign (resid 85 and name HN )(resid 85 and name HG1+ ) 0.0 0.0 3.6
assign (resid 87 and name HN )(resid 87 and name HA1 ) 0.0 0.0 2.8
assign (resid 87 and name HN )(resid 87 and name HA2 ) 0.0 0.0 3.3
assign (resid 88 and name HN )(resid 88 and name HA ) 0.0 0.0 4.2
assign (resid 88 and name HN )(resid 88 and name HB2 ) 0.0 0.0 2.8
assign (resid 89 and name HE21 )(resid 89 and name HG+ ) 0.0 0.0 5.0
assign (resid 89 and name HE22 )(resid 89 and name HG+ ) 0.0 0.0 5.8
assign (resid 89 and name HN )(resid 89 and name HA ) 0.0 0.0 4.2
assign (resid 89 and name HN )(resid 89 and name HB1 ) 0.0 0.0 3.3
assign (resid 89 and name HN )(resid 89 and name HB2 ) 0.0 0.0 4.2
assign (resid 89 and name HN )(resid 89 and name HG+ ) 0.0 0.0 4.1
assign (resid 91 and name HN )(resid 91 and name HA1 ) 0.0 0.0 3.3
assign (resid 91 and name HN )(resid 91 and name HA2 ) 0.0 0.0 2.8
assign (resid 92 and name HN )(resid 92 and name HA ) 0.0 0.0 3.3
assign (resid 92 and name HN )(resid 92 and name HG+ ) 0.0 0.0 5.8
assign (resid 93 and name HN )(resid 93 and name HA ) 0.0 0.0 4.2
assign (resid 93 and name HN )(resid 93 and name HB2 ) 0.0 0.0 5.0
assign (resid 93 and name HN )(resid 93 and name HD+ ) 0.0 0.0 5.5
assign (resid 94 and name HN )(resid 94 and name HA ) 0.0 0.0 3.3
assign (resid 94 and name HN )(resid 94 and name HB ) 0.0 0.0 4.2
assign (resid 94 and name HN )(resid 94 and name HG+ ) 0.0 0.0 4.1
assign (resid 95 and name HN )(resid 95 and name HA ) 0.0 0.0 4.2
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assign (resid 126 and name HN )(resid 126 and name HB+ ) 0.0 0.0 5.8
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assign (resid 89 and name HA )(resid 89 and name HB1 ) 0.0 0.0 2.8
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assign (resid 134 and name HA )(resid 134 and name HB1 ) 0.0 0.0 2.8
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assign (resid 160 and name HA )(resid 160 and name HD2+ ) 0.0 0.0 3.6
!! Sequential
assign (resid 26 and name HD21 )(resid 27 and name HB1 ) 0.0 0.0 5.0
assign (resid 92 and name HN )(resid 93 and name HE+ ) 0.0 0.0 5.5
assign (resid 126 and name HN )(resid 125 and name HD+ ) 0.0 0.0 5.8
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assign (resid 126 and name HN )(resid 127 and name HN ) 0.0 0.0 5.0
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assign (resid 3 and name HN )(resid 2 and name HA ) 0.0 0.0 4.2
assign (resid 4 and name HN )(resid 3 and name HA ) 0.0 0.0 2.8
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assign (resid 8 and name HN )(resid 7 and name HB+ ) 0.0 0.0 5.0
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assign (resid 19 and name HN )(resid 18 and name HA ) 0.0 0.0 3.3
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assign (resid 158 and name HN )(resid 157 and name HB2 ) 0.0 0.0 4.2
assign (resid 159 and name HN )(resid 158 and name HA ) 0.0 0.0 4.2
assign (resid 159 and name HN )(resid 158 and name HB+ ) 0.0 0.0 4.1
assign (resid 160 and name HN )(resid 159 and name HA ) 0.0 0.0 3.3
assign (resid 160 and name HN )(resid 159 and name HB+ ) 0.0 0.0 5.8
assign (resid 161 and name HN )(resid 160 and name HA ) 0.0 0.0 4.2
assign (resid 161 and name HN )(resid 160 and name HB1 ) 0.0 0.0 3.3
assign (resid 161 and name HN )(resid 160 and name HB2 ) 0.0 0.0 4.2
assign (resid 161 and name HN )(resid 160 and name HG ) 0.0 0.0 4.2
assign (resid 161 and name HN )(resid 162 and name HD2+ ) 0.0 0.0 5.0
assign (resid 162 and name HN )(resid 161 and name HA1 ) 0.0 0.0 3.3
assign (resid 162 and name HN )(resid 161 and name HA2 ) 0.0 0.0 3.3
assign (resid 162 and name HN )(resid 163 and name HD+ ) 0.0 0.0 5.8
assign (resid 164 and name HN )(resid 163 and name HA ) 0.0 0.0 2.8
assign (resid 165 and name HN )(resid 164 and name HA ) 0.0 0.0 3.3
assign (resid 165 and name HN )(resid 164 and name HB+ ) 0.0 0.0 4.1
assign (resid 165 and name HN )(resid 164 and name HG+ ) 0.0 0.0 4.1
assign (resid 166 and name HN )(resid 165 and name HA ) 0.0 0.0 3.3
assign (resid 166 and name HN )(resid 167 and name HD1+ ) 0.0 0.0 5.0
assign (resid 167 and name HN )(resid 166 and name HA ) 0.0 0.0 3.3
assign (resid 168 and name HN )(resid 167 and name HA ) 0.0 0.0 2.8
assign (resid 169 and name HN )(resid 168 and name HA ) 0.0 0.0 2.8
assign (resid 169 and name HN )(resid 168 and name HB ) 0.0 0.0 3.3
assign (resid 169 and name HN )(resid 168 and name HG++ ) 0.0 0.0 4.7
assign (resid 171 and name HN )(resid 170 and name HA ) 0.0 0.0 2.8
assign (resid 171 and name HN )(resid 170 and name HB1 ) 0.0 0.0 5.0
assign (resid 171 and name HN )(resid 170 and name HB2 ) 0.0 0.0 5.0
assign (resid 171 and name HN )(resid 170 and name HD1 ) 0.0 0.0 4.2
assign (resid 171 and name HN )(resid 170 and name HD2 ) 0.0 0.0 4.2
assign (resid 171 and name HN )(resid 170 and name HG1 ) 0.0 0.0 5.0
assign (resid 173 and name HN )(resid 172 and name HA ) 0.0 0.0 2.8
assign (resid 174 and name HN )(resid 173 and name HB ) 0.0 0.0 2.8
assign (resid 174 and name HN )(resid 173 and name HG2+ ) 0.0 0.0 3.6
assign (resid 175 and name HN )(resid 174 and name HA ) 0.0 0.0 3.3
assign (resid 176 and name HN )(resid 175 and name HA ) 0.0 0.0 2.8
assign (resid 176 and name HN )(resid 175 and name HB1 ) 0.0 0.0 4.2
assign (resid 176 and name HN )(resid 175 and name HB2 ) 0.0 0.0 3.3
assign (resid 177 and name HN )(resid 176 and name HB1 ) 0.0 0.0 4.2
assign (resid 177 and name HN )(resid 176 and name HB2 ) 0.0 0.0 4.2
assign (resid 178 and name HN )(resid 177 and name HA ) 0.0 0.0 4.2
assign (resid 178 and name HN )(resid 177 and name HB ) 0.0 0.0 5.0
assign (resid 178 and name HN )(resid 177 and name HD1+ ) 0.0 0.0 5.0
assign (resid 178 and name HN )(resid 177 and name HG11 ) 0.0 0.0 4.2
assign (resid 178 and name HN )(resid 177 and name HG2+ ) 0.0 0.0 5.0
assign (resid 178 and name HN )(resid 179 and name HA+ ) 0.0 0.0 5.8
assign (resid 179 and name HN )(resid 178 and name HA ) 0.0 0.0 3.3
assign (resid 179 and name HN )(resid 178 and name HB1 ) 0.0 0.0 4.2
assign (resid 179 and name HN )(resid 178 and name HB1 ) 0.0 0.0 5.0
assign (resid 179 and name HN )(resid 178 and name HB2 ) 0.0 0.0 5.0
assign (resid 7 and name HN )(resid 8 and name HN ) 0.0 0.0 3.3
assign (resid 8 and name HN )(resid 9 and name HN ) 0.0 0.0 4.2
assign (resid 14 and name HN )(resid 15 and name HN ) 0.0 0.0 3.3
assign (resid 15 and name HN )(resid 16 and name HN ) 0.0 0.0 3.3
assign (resid 16 and name HN )(resid 17 and name HN ) 0.0 0.0 2.8
assign (resid 19 and name HN )(resid 20 and name HN ) 3.2 0.0 1.8
assign (resid 20 and name HN )(resid 21 and name HN ) 3.2 0.0 1.8
assign (resid 21 and name HN )(resid 22 and name HN ) 0.0 0.0 4.2
assign (resid 22 and name HN )(resid 23 and name HN ) 0.0 0.0 4.2
assign (resid 23 and name HN )(resid 24 and name HN ) 3.2 0.0 1.8
assign (resid 24 and name HN )(resid 25 and name HN ) 3.2 0.0 1.8
assign (resid 25 and name HN )(resid 26 and name HN ) 0.0 0.0 3.3
assign (resid 26 and name HN )(resid 27 and name HN ) 0.0 0.0 2.8
assign (resid 27 and name HN )(resid 28 and name HN ) 0.0 0.0 2.8
assign (resid 28 and name HN )(resid 29 and name HN ) 0.0 0.0 2.8
assign (resid 29 and name HN )(resid 30 and name HN ) 3.2 0.0 1.8
assign (resid 30 and name HN )(resid 31 and name HN ) 3.2 0.0 1.8
assign (resid 31 and name HN )(resid 32 and name HN ) 3.2 0.0 1.8
assign (resid 33 and name HN )(resid 32 and name HN ) 3.2 0.0 1.8
assign (resid 33 and name HN )(resid 34 and name HN ) 3.2 0.0 1.8
assign (resid 35 and name HN )(resid 36 and name HN ) 0.0 0.0 3.3
assign (resid 36 and name HN )(resid 37 and name HN ) 3.2 0.0 1.8
assign (resid 39 and name HN )(resid 38 and name HN ) 3.2 0.0 1.8
assign (resid 39 and name HN )(resid 40 and name HN ) 3.2 0.0 1.8
assign (resid 41 and name HN )(resid 40 and name HN ) 0.0 0.0 3.3
assign (resid 41 and name HN )(resid 42 and name HN ) 0.0 0.0 3.3
assign (resid 42 and name HN )(resid 43 and name HN ) 3.2 0.0 1.8
assign (resid 43 and name HN )(resid 44 and name HN ) 0.0 0.0 4.2
assign (resid 48 and name HN )(resid 47 and name HN ) 0.0 0.0 3.3
assign (resid 52 and name HN )(resid 53 and name HN ) 3.2 0.0 1.8
assign (resid 53 and name HN )(resid 54 and name HN ) 3.2 0.0 1.8
assign (resid 54 and name HN )(resid 55 and name HN ) 3.2 0.0 1.8
assign (resid 56 and name HN )(resid 57 and name HN ) 3.2 0.0 1.8
assign (resid 57 and name HN )(resid 58 and name HN ) 3.2 0.0 1.8
assign (resid 58 and name HN )(resid 59 and name HN ) 0.0 0.0 4.2
assign (resid 61 and name HN )(resid 62 and name HN ) 0.0 0.0 4.2
assign (resid 62 and name HN )(resid 63 and name HN ) 0.0 0.0 2.8
assign (resid 64 and name HN )(resid 65 and name HN ) 3.2 0.0 1.8
assign (resid 67 and name HN )(resid 68 and name HN ) 3.2 0.0 1.8
assign (resid 68 and name HN )(resid 69 and name HN ) 0.0 0.0 4.2
assign (resid 69 and name HN )(resid 70 and name HN ) 3.2 0.0 1.8
assign (resid 70 and name HN )(resid 71 and name HN ) 3.2 0.0 1.8
assign (resid 73 and name HN )(resid 72 and name HN ) 3.2 0.0 1.8
assign (resid 73 and name HN )(resid 74 and name HN ) 0.0 0.0 4.2
assign (resid 74 and name HN )(resid 75 and name HN ) 0.0 0.0 4.2
assign (resid 75 and name HN )(resid 76 and name HN ) 0.0 0.0 2.8
assign (resid 77 and name HN )(resid 76 and name HN ) 0.0 0.0 4.2
assign (resid 77 and name HN )(resid 78 and name HN ) 3.2 0.0 1.8
assign (resid 78 and name HN )(resid 79 and name HN ) 3.2 0.0 1.8
assign (resid 79 and name HN )(resid 80 and name HN ) 3.2 0.0 1.8
assign (resid 82 and name HN )(resid 83 and name HN ) 3.2 0.0 1.8
assign (resid 83 and name HN )(resid 84 and name HN ) 3.2 0.0 1.8
assign (resid 87 and name HN )(resid 88 and name HN ) 0.0 0.0 3.3
assign (resid 88 and name HN )(resid 89 and name HN ) 0.0 0.0 2.8
assign (resid 91 and name HN )(resid 92 and name HN ) 0.0 0.0 2.8
assign (resid 92 and name HN )(resid 93 and name HN ) 3.2 0.0 1.8
assign (resid 94 and name HN )(resid 95 and name HN ) 3.2 0.0 1.8
assign (resid 96 and name HN )(resid 95 and name HN ) 3.2 0.0 1.8
assign (resid 96 and name HN )(resid 97 and name HN ) 3.2 0.0 1.8
assign (resid 97 and name HN )(resid 98 and name HN ) 0.0 0.0 4.2
assign (resid 98 and name HN )(resid 99 and name HN ) 0.0 0.0 4.2
assign (resid 100 and name HN )(resid 99 and name HN ) 0.0 0.0 2.8
assign (resid 100 and name HN )(resid 101 and name HN ) 0.0 0.0 2.8
assign (resid 103 and name HN )(resid 104 and name HN ) 0.0 0.0 2.8
assign (resid 104 and name HN )(resid 105 and name HN ) 3.2 0.0 1.8
assign (resid 105 and name HN )(resid 106 and name HN ) 0.0 0.0 2.8
assign (resid 107 and name HN )(resid 106 and name HN ) 3.2 0.0 1.8
assign (resid 107 and name HN )(resid 108 and name HN ) 0.0 0.0 4.2
assign (resid 108 and name HN )(resid 109 and name HN ) 3.2 0.0 1.8
assign (resid 109 and name HN )(resid 110 and name HN ) 3.2 0.0 1.8
assign (resid 110 and name HN )(resid 111 and name HN ) 0.0 0.0 4.2
assign (resid 111 and name HN )(resid 112 and name HN ) 3.2 0.0 1.8
assign (resid 112 and name HN )(resid 113 and name HN ) 0.0 0.0 3.3
assign (resid 113 and name HN )(resid 114 and name HN ) 0.0 0.0 4.2
assign (resid 115 and name HN )(resid 114 and name HN ) 3.2 0.0 1.8
assign (resid 115 and name HN )(resid 116 and name HN ) 0.0 0.0 2.8
assign (resid 117 and name HN )(resid 116 and name HN ) 3.2 0.0 1.8
assign (resid 117 and name HN )(resid 118 and name HN ) 0.0 0.0 2.8
assign (resid 118 and name HN )(resid 119 and name HN ) 0.0 0.0 2.8
assign (resid 119 and name HN )(resid 120 and name HN ) 3.2 0.0 1.8
assign (resid 121 and name HN )(resid 120 and name HN ) 3.2 0.0 1.8
assign (resid 122 and name HN )(resid 121 and name HN ) 3.2 0.0 1.8
assign (resid 123 and name HN )(resid 122 and name HN ) 3.2 0.0 1.8
assign (resid 126 and name HN )(resid 125 and name HN ) 3.2 0.0 1.8
assign (resid 127 and name HN )(resid 126 and name HN ) 3.2 0.0 1.8
assign (resid 128 and name HN )(resid 127 and name HN ) 3.2 0.0 1.8
assign (resid 128 and name HN )(resid 129 and name HN ) 3.2 0.0 1.8
assign (resid 129 and name HN )(resid 130 and name HN ) 0.0 0.0 4.2
assign (resid 130 and name HN )(resid 131 and name HN ) 0.0 0.0 2.8
assign (resid 131 and name HN )(resid 132 and name HN ) 3.2 0.0 1.8
assign (resid 132 and name HN )(resid 133 and name HN ) 3.2 0.0 1.8
assign (resid 134 and name HN )(resid 135 and name HN ) 3.2 0.0 1.8
assign (resid 135 and name HN )(resid 136 and name HN ) 3.2 0.0 1.8
assign (resid 136 and name HN )(resid 137 and name HN ) 3.2 0.0 1.8
assign (resid 137 and name HN )(resid 138 and name HN ) 3.2 0.0 1.8
assign (resid 139 and name HN )(resid 138 and name HN ) 3.2 0.0 1.8
assign (resid 139 and name HN )(resid 140 and name HN ) 3.2 0.0 1.8
assign (resid 140 and name HN )(resid 141 and name HN ) 3.2 0.0 1.8
assign (resid 142 and name HN )(resid 141 and name HN ) 0.0 0.0 3.3
assign (resid 143 and name HN )(resid 144 and name HN ) 0.0 0.0 3.3
assign (resid 145 and name HN )(resid 144 and name HN ) 3.2 0.0 1.8
assign (resid 146 and name HN )(resid 145 and name HN ) 3.2 0.0 1.8
assign (resid 146 and name HN )(resid 147 and name HN ) 3.2 0.0 1.8
assign (resid 148 and name HN )(resid 147 and name HN ) 0.0 0.0 3.3
assign (resid 148 and name HN )(resid 149 and name HN ) 0.0 0.0 2.8
assign (resid 149 and name HN )(resid 150 and name HN ) 0.0 0.0 2.8
assign (resid 150 and name HN )(resid 151 and name HN ) 0.0 0.0 2.8
assign (resid 151 and name HN )(resid 152 and name HN ) 0.0 0.0 2.8
assign (resid 153 and name HN )(resid 154 and name HN ) 0.0 0.0 3.3
assign (resid 154 and name HN )(resid 155 and name HN ) 0.0 0.0 2.8
assign (resid 155 and name HN )(resid 156 and name HN ) 0.0 0.0 2.8
assign (resid 158 and name HN )(resid 159 and name HN ) 0.0 0.0 2.8
assign (resid 159 and name HN )(resid 160 and name HN ) 0.0 0.0 2.8
assign (resid 160 and name HN )(resid 161 and name HN ) 0.0 0.0 2.8
assign (resid 161 and name HN )(resid 162 and name HN ) 0.0 0.0 3.3
assign (resid 164 and name HN )(resid 165 and name HN ) 0.0 0.0 3.3
assign (resid 167 and name HN )(resid 166 and name HN ) 0.0 0.0 3.3
assign (resid 167 and name HN )(resid 168 and name HN ) 3.2 0.0 1.8
assign (resid 169 and name HN )(resid 168 and name HN ) 3.2 0.0 1.8
assign (resid 173 and name HN )(resid 174 and name HN ) 3.2 0.0 1.8
assign (resid 175 and name HN )(resid 174 and name HN ) 0.0 0.0 3.3
assign (resid 176 and name HN )(resid 175 and name HN ) 3.2 0.0 1.8
assign (resid 177 and name HN )(resid 178 and name HN ) 0.0 0.0 3.3
assign (resid 178 and name HN )(resid 179 and name HN ) 0.0 0.0 2.8
assign (resid 9 and name HA )(resid 10 and name HD+ ) 0.0 0.0 3.6
assign (resid 9 and name HG2+ )(resid 10 and name HD1 ) 0.0 0.0 3.6
assign (resid 12 and name HA )(resid 13 and name HD+ ) 0.0 0.0 3.6
assign (resid 12 and name HD+ )(resid 11 and name HB+ ) 0.0 0.0 5.0
assign (resid 12 and name HD1 )(resid 11 and name HA ) 0.0 0.0 3.3
assign (resid 12 and name HD2 )(resid 11 and name HA ) 0.0 0.0 3.3
assign (resid 13 and name HD1 )(resid 12 and name HA ) 0.0 0.0 2.8
assign (resid 13 and name HD2 )(resid 12 and name HA ) 0.0 0.0 2.8
assign (resid 18 and name HD+ )(resid 17 and name HA ) 0.0 0.0 5.0
assign (resid 49 and name HD+ )(resid 48 and name HA ) 0.0 0.0 3.6
assign (resid 85 and name HA )(resid 86 and name HD+ ) 0.0 0.0 3.6
assign (resid 89 and name HA )(resid 90 and name HD1 ) 0.0 0.0 2.8
assign (resid 89 and name HA )(resid 90 and name HD2 ) 0.0 0.0 2.8
assign (resid 89 and name HB1 )(resid 90 and name HD1 ) 0.0 0.0 3.3
assign (resid 89 and name HB2 )(resid 90 and name HD2 ) 0.0 0.0 3.3
assign (resid 89 and name HB1 )(resid 90 and name HD1 ) 0.0 0.0 3.3
assign (resid 89 and name HB2 )(resid 90 and name HD2 ) 0.0 0.0 3.3
assign (resid 101 and name HA )(resid 102 and name HD+ ) 0.0 0.0 3.6
assign (resid 114 and name HG2+ )(resid 113 and name HN ) 0.0 0.0 5.0
assign (resid 162 and name HA )(resid 163 and name HD+ ) 0.0 0.0 3.6
assign (resid 162 and name HD2+ )(resid 163 and name HD1 ) 0.0 0.0 5.0
assign (resid 162 and name HD2+ )(resid 163 and name HD2 ) 0.0 0.0 5.0
assign (resid 169 and name HA )(resid 170 and name HD+ ) 0.0 0.0 3.6
assign (resid 171 and name HA )(resid 172 and name HD1 ) 0.0 0.0 2.8
assign (resid 171 and name HA )(resid 172 and name HD2 ) 0.0 0.0 2.8
!! Medium-range (2-5 residues)
assign (resid 115 and name HN )(resid 120 and name HB+ ) 0.0 0.0 5.0
assign (resid 30 and name HN )(resid 32 and name HH2 ) 0.0 0.0 5.0
assign (resid 60 and name HN )(resid 65 and name HA ) 0.0 0.0 4.2
assign (resid 60 and name HN )(resid 65 and name HD+ ) 0.0 0.0 5.5
assign (resid 64 and name HN )(resid 59 and name HA ) 0.0 0.0 5.0
assign (resid 64 and name HN )(resid 59 and name HB2 ) 0.0 0.0 5.0
assign (resid 64 and name HN )(resid 59 and name HD1+ ) 0.0 0.0 5.8
assign (resid 87 and name HN )(resid 92 and name HN ) 0.0 0.0 4.2
assign (resid 128 and name HN )(resid 133 and name HD+ ) 0.0 0.0 5.5
assign (resid 128 and name HN )(resid 133 and name HE+ ) 0.0 0.0 5.5
assign (resid 77 and name HA )(resid 72 and name HA ) 0.0 0.0 2.8
assign (resid 132 and name HA )(resid 127 and name HA ) 0.0 0.0 3.3
assign (resid 42 and name HD1+ )(resid 37 and name HD1+ ) 0.0 0.0 4.3
assign (resid 42 and name HG2+ )(resid 37 and name HD1+ ) 0.0 0.0 4.3
assign (resid 127 and name HG2+ )(resid 132 and name HA ) 0.0 0.0 3.6
assign (resid 140 and name HA1 )(resid 145 and name HG ) 0.0 0.0 4.2
assign (resid 140 and name HA2 )(resid 145 and name HG ) 0.0 0.0 4.2
assign (resid 140 and name HA1 )(resid 145 and name HD1+) ) 0.0 4.1 0.0
assign (resid 140 and name HA2 )(resid 145 and name HD1+ ) 0.0 0.0 5.0
assign (resid 67 and name HG2+ )(resid 65 and name HD+ ) 0.0 0.0 6.6
assign (resid 15 and name HN )(resid 13 and name HA ) 0.0 0.0 4.2
assign (resid 23 and name HN )(resid 21 and name HB+ ) 0.0 0.0 5.0
assign (resid 27 and name HN )(resid 24 and name HB2 ) 0.0 0.0 5.0
assign (resid 27 and name HN )(resid 24 and name HB2 ) 0.0 0.0 5.0
assign (resid 27 and name HN )(resid 24 and name HG2 ) 0.0 0.0 5.0
assign (resid 40 and name HN )(resid 42 and name HN ) 0.0 0.0 5.0
assign (resid 72 and name HN )(resid 70 and name HG++ ) 0.0 0.0 6.5
assign (resid 73 and name HN )(resid 77 and name HB+ ) 0.0 0.0 5.0
assign (resid 76 and name HN )(resid 72 and name HA ) 0.0 0.0 5.0
assign (resid 76 and name HN )(resid 72 and name HD+ ) 0.0 0.0 5.5
assign (resid 116 and name HN )(resid 120 and name HB+ ) 0.0 0.0 5.0
assign (resid 119 and name HN )(resid 115 and name HB2 ) 0.0 0.0 5.8
assign (resid 142 and name HN )(resid 145 and name HD++ ) 0.0 0.0 5.5
assign (resid 149 and name HB1 )(resid 145 and name HD2+ ) 0.0 0.0 5.8
assign (resid 149 and name HB2 )(resid 145 and name HD2+ ) 0.0 0.0 5.8
assign (resid 152 and name HN )(resid 150 and name HB+ ) 0.0 0.0 5.8
assign (resid 168 and name HN )(resid 170 and name HD2 ) 0.0 0.0 5.0
assign (resid 14 and name HN )(resid 16 and name HN ) 0.0 0.0 5.0
assign (resid 15 and name HN )(resid 13 and name HA ) 0.0 0.0 4.2
assign (resid 15 and name HN )(resid 13 and name HB1 ) 0.0 0.0 4.2
assign (resid 15 and name HN )(resid 17 and name HG2+ ) 0.0 0.0 5.8
assign (resid 16 and name HN )(resid 14 and name HA ) 0.0 0.0 4.2
assign (resid 17 and name HN )(resid 14 and name HA ) 0.0 0.0 4.2
assign (resid 24 and name HE21 )(resid 22 and name HB2 ) 0.0 0.0 5.0
assign (resid 24 and name HE22 )(resid 22 and name HB2 ) 0.0 0.0 5.0
assign (resid 25 and name HN )(resid 27 and name HN ) 0.0 0.0 5.0
assign (resid 27 and name HN )(resid 24 and name HB2 ) 0.0 0.0 4.2
assign (resid 27 and name HN )(resid 24 and name HG+ ) 0.0 0.0 5.5
assign (resid 29 and name HN )(resid 27 and name HN ) 0.0 0.0 4.2
assign (resid 33 and name HN )(resid 35 and name HG++ ) 0.0 0.0 5.5
assign (resid 39 and name HN )(resid 42 and name HB ) 0.0 0.0 2.8
assign (resid 39 and name HN )(resid 42 and name HG1+ ) 0.0 0.0 3.6
assign (resid 39 and name HN )(resid 42 and name HN ) 0.0 0.0 5.0
assign (resid 41 and name HN )(resid 39 and name HA1 ) 0.0 0.0 5.0
assign (resid 42 and name HN )(resid 39 and name HA1 ) 0.0 0.0 5.0
assign (resid 42 and name HN )(resid 40 and name HN ) 0.0 0.0 5.0
assign (resid 60 and name HN )(resid 64 and name HN ) 0.0 0.0 4.2
assign (resid 60 and name HN )(resid 63 and name HN ) 0.0 0.0 5.0
assign (resid 63 and name HN )(resid 59 and name HD1+ ) 0.0 0.0 5.0
assign (resid 63 and name HN )(resid 61 and name HA ) 0.0 0.0 4.2
assign (resid 64 and name HN )(resid 60 and name HB+ ) 0.0 0.0 5.0
assign (resid 65 and name HN )(resid 67 and name HG2+ ) 0.0 0.0 5.8
assign (resid 75 and name HN )(resid 73 and name HN ) 0.0 0.0 5.0
assign (resid 76 and name HN )(resid 73 and name HN ) 0.0 0.0 2.8
assign (resid 76 and name HN )(resid 74 and name HN ) 0.0 0.0 5.0
assign (resid 87 and name HN )(resid 92 and name HG+ ) 0.0 0.0 5.0
assign (resid 89 and name HN )(resid 87 and name HA1 ) 0.0 0.0 4.2
assign (resid 89 and name HN )(resid 87 and name HN ) 0.0 0.0 5.0
assign (resid 91 and name HN )(resid 93 and name HE+ ) 0.0 0.0 5.5
assign (resid 92 and name HN )(resid 88 and name HN ) 0.0 0.0 5.0
assign (resid 92 and name HN )(resid 90 and name HA ) 0.0 0.0 3.3
assign (resid 92 and name HN )(resid 90 and name HB2 ) 0.0 0.0 5.0
assign (resid 98 and name HN )(resid 95 and name HD2+ ) 0.0 0.0 5.8
assign (resid 98 and name HN )(resid 96 and name HA2 ) 0.0 0.0 5.0
assign (resid 99 and name HN )(resid 97 and name HA ) 0.0 0.0 4.2
assign (resid 99 and name HN )(resid 97 and name HB1 ) 0.0 0.0 5.0
assign (resid 99 and name HN )(resid 97 and name HB2 ) 0.0 0.0 5.0
assign (resid 99 and name HN )(resid 97 and name HN ) 0.0 0.0 5.0
assign (resid 100 and name HN )(resid 97 and name HB1 ) 0.0 0.0 5.0
assign (resid 100 and name HN )(resid 97 and name HB2 ) 0.0 0.0 4.2
assign (resid 100 and name HN )(resid 98 and name HA ) 0.0 0.0 4.2
assign (resid 100 and name HN )(resid 98 and name HG2+ ) 0.0 0.0 5.8
assign (resid 101 and name HN )(resid 98 and name HA ) 0.0 0.0 4.2
assign (resid 101 and name HN )(resid 99 and name HA ) 0.0 0.0 4.2
assign (resid 104 and name HN )(resid 101 and name HB1 ) 0.0 0.0 5.0
assign (resid 104 and name HN )(resid 101 and name HB2 ) 0.0 0.0 4.2
assign (resid 106 and name HN )(resid 104 and name HA ) 0.0 0.0 5.0
assign (resid 106 and name HN )(resid 104 and name HD2+ ) 0.0 0.0 4.1
assign (resid 110 and name HN )(resid 108 and name HD++ ) 0.0 0.0 5.5
assign (resid 115 and name HD21 )(resid 118 and name HB1 ) 0.0 0.0 5.0
assign (resid 115 and name HD21 )(resid 118 and name HB2 ) 0.0 0.0 5.0
assign (resid 115 and name HD22 )(resid 118 and name HB1 ) 0.0 0.0 4.2
assign (resid 115 and name HD22 )(resid 118 and name HB2 ) 0.0 0.0 3.3
assign (resid 115 and name HN )(resid 119 and name HN ) 0.0 0.0 4.2
assign (resid 116 and name HN )(resid 114 and name HB ) 0.0 0.0 5.0
assign (resid 116 and name HN )(resid 114 and name HG+ ) 0.0 0.0 5.0
assign (resid 117 and name HN )(resid 119 and name HN ) 0.0 0.0 4.2
assign (resid 119 and name HN )(resid 117 and name HN ) 0.0 0.0 5.0
assign (resid 124 and name HN )(resid 122 and name HG1+ ) 0.0 0.0 5.8
assign (resid 128 and name HN )(resid 131 and name HN ) 0.0 0.0 4.2
assign (resid 128 and name HN )(resid 132 and name HA ) 0.0 0.0 4.2
assign (resid 129 and name HN )(resid 127 and name HG1+ ) 0.0 0.0 5.8
assign (resid 130 and name HN )(resid 127 and name HG++ ) 0.0 0.0 5.5
assign (resid 130 and name HN )(resid 128 and name HA ) 0.0 0.0 5.0
assign (resid 131 and name HN )(resid 127 and name HG1+ ) 0.0 0.0 4.1
assign (resid 131 and name HN )(resid 127 and name HA ) 0.0 0.0 4.2
assign (resid 131 and name HN )(resid 129 and name HA ) 0.0 0.0 5.0
assign (resid 131 and name HN )(resid 129 and name HN ) 0.0 0.0 5.0
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assign (resid 146 and name HN )(resid 149 and name HA ) 0.0 0.0 5.0
assign (resid 146 and name HN )(resid 149 and name HD2+ ) 0.0 0.0 5.8
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assign (resid 153 and name HN )(resid 150 and name HA ) 0.0 0.0 4.2
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assign (resid 155 and name HN )(resid 152 and name HA ) 0.0 0.0 4.2
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assign (resid 162 and name HN )(resid 159 and name HA ) 0.0 0.0 4.2
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assign (resid 165 and name HN )(resid 167 and name HG11 ) 0.0 0.0 5.0
assign (resid 165 and name HN )(resid 167 and name HN ) 0.0 0.0 4.2
assign (resid 167 and name HN )(resid 165 and name HB1 ) 0.0 0.0 4.2
assign (resid 171 and name HN )(resid 168 and name HG++ ) 0.0 0.0 6.5
assign (resid 17 and name HB )(resid 14 and name HA ) 0.0 0.0 5.0
assign (resid 17 and name HG1+ )(resid 14 and name HA ) 0.0 0.0 4.1
assign (resid 17 and name HG1+ )(resid 14 and name HD1+ ) 0.0 0.0 5.0
assign (resid 24 and name HA )(resid 27 and name HN ) 0.0 0.0 5.0
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assign (resid 127 and name HG1+ )(resid 130 and name HA ) 0.0 0.0 4.1
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assign (resid 152 and name HB+ )(resid 149 and name HA ) 0.0 0.0 5.0
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assign (resid 156 and name HA )(resid 159 and name HB+ ) 0.0 0.0 4.1
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assign (resid 167 and name HD1+ )(resid 164 and name HB+ ) 0.0 0.0 5.4
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assign (resid 167 and name HG2+ )(resid 164 and name HG+ ) 0.0 0.0 6.4
!! Long-range (>5 residues)
assign (resid 67 and name HG1+ )(resid 84 and name HE+ ) 0.0 0.0 5.6
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assign (resid 70 and name HN )(resid 55 and name HB ) 0.0 0.0 5.0
assign (resid 80 and name HN )(resid 69 and name HB+ ) 0.0 0.0 5.0
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assign (resid 140 and name HN )(resid 119 and name HA ) 0.0 0.0 5.0
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assign (resid 29 and name HN )(resid 59 and name HD2+ ) 0.0 0.0 5.8
assign (resid 30 and name HN )(resid 56 and name HA ) 0.0 0.0 5.0
assign (resid 30 and name HN )(resid 57 and name HA ) 0.0 0.0 5.0
assign (resid 30 and name HN )(resid 56 and name HG2+ ) 0.0 0.0 5.0
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assign (resid 30 and name HN )(resid 32 and name HH2 ) 0.0 0.0 5.0
assign (resid 30 and name HN )(resid 58 and name HN ) 0.0 0.0 5.0
assign (resid 31 and name HN )(resid 56 and name HA ) 0.0 0.0 5.0
assign (resid 31 and name HN )(resid 56 and name HG2+ ) 0.0 0.0 5.0
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assign (resid 32 and name HN )(resid 55 and name HN ) 0.0 0.0 5.0
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assign (resid 54 and name HN )(resid 71 and name HA ) 0.0 0.0 4.2
assign (resid 55 and name HN )(resid 31 and name HA ) 0.0 0.0 5.0
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assign (resid 55 and name HN )(resid 69 and name HA ) 0.0 0.0 5.0
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assign (resid 56 and name HN )(resid 69 and name HA ) 0.0 0.0 3.3
assign (resid 30 and name HN )(resid 57 and name HN ) 0.0 0.0 3.3
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assign (resid 57 and name HN )(resid 31 and name HA ) 0.0 0.0 3.3
assign (resid 57 and name HN )(resid 31 and name HN ) 0.0 0.0 5.0
assign (resid 58 and name HN )(resid 66 and name HN ) 0.0 0.0 3.3
assign (resid 58 and name HN )(resid 65 and name HA ) 0.0 0.0 5.0
assign (resid 58 and name HN )(resid 67 and name HA ) 0.0 0.0 4.2
assign (resid 58 and name HN )(resid 67 and name HG2+ ) 0.0 0.0 5.0
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assign (resid 65 and name HN )(resid 59 and name HA ) 0.0 0.0 5.0
assign (resid 65 and name HN )(resid 59 and name HD1+ ) 0.0 0.0 5.0
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assign (resid 67 and name HN )(resid 83 and name HA ) 0.0 0.0 4.2
assign (resid 67 and name HN )(resid 83 and name HB ) 0.0 0.0 5.0
assign (resid 67 and name HN )(resid 84 and name HN ) 0.0 0.0 5.0
assign (resid 68 and name HN )(resid 56 and name HN ) 0.0 0.0 4.2
assign (resid 68 and name HN )(resid 56 and name HB ) 0.0 0.0 5.0
assign (resid 69 and name HN )(resid 80 and name HN ) 0.0 0.0 3.3
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assign (resid 69 and name HN )(resid 81 and name HG2+ ) 0.0 0.0 5.0
assign (resid 71 and name HN )(resid 78 and name HN ) 0.0 0.0 3.3
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assign (resid 80 and name HN )(resid 68 and name HG+ ) 0.0 0.0 5.0
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assign (resid 80 and name HN )(resid 70 and name HA ) 0.0 0.0 4.2
assign (resid 80 and name HN )(resid 71 and name HD1+ ) 0.0 0.0 5.0
assign (resid 82 and name HN )(resid 67 and name HG2+ ) 0.0 0.0 5.8
assign (resid 83 and name HN )(resid 66 and name HA ) 0.0 0.0 5.0
assign (resid 83 and name HN )(resid 95 and name HD1+ ) 0.0 0.0 5.0
assign (resid 83 and name HN )(resid 96 and name HN ) 0.0 0.0 4.2
assign (resid 84 and name HN )(resid 65 and name HB1 ) 0.0 0.0 5.0
assign (resid 84 and name HN )(resid 65 and name HB2 ) 0.0 0.0 5.0
assign (resid 84 and name HN )(resid 65 and name HN ) 0.0 0.0 3.3
assign (resid 84 and name HN )(resid 66 and name HA ) 0.0 0.0 3.3
assign (resid 84 and name HN )(resid 67 and name HG2+ ) 0.0 0.0 5.0
assign (resid 85 and name HN )(resid 93 and name HA ) 0.0 0.0 4.2
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assign (resid 87 and name HN )(resid 92 and name HN ) 0.0 0.0 4.2
assign (resid 87 and name HN )(resid 93 and name HA ) 0.0 0.0 3.3
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assign (resid 87 and name HN )(resid 94 and name HG2+ ) 0.0 0.0 5.8
assign (resid 93 and name HN )(resid 108 and name HD++ ) 0.0 0.0 5.5
assign (resid 93 and name HN )(resid 109 and name HB ) 0.0 0.0 4.2
assign (resid 93 and name HN )(resid 109 and name HG++ ) 0.0 0.0 5.5
assign (resid 93 and name HN )(resid 109 and name HN ) 0.0 0.0 4.2
assign (resid 94 and name HN )(resid 84 and name HA ) 0.0 0.0 4.2
assign (resid 94 and name HN )(resid 87 and name HN ) 0.0 0.0 5.0
assign (resid 94 and name HN )(resid 108 and name HD++ ) 0.0 0.0 5.5
assign (resid 94 and name HN )(resid 109 and name HG2+ ) 0.0 0.0 5.0
assign (resid 95 and name HN )(resid 107 and name HB1 ) 0.0 0.0 4.2
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assign (resid 95 and name HN )(resid 107 and name HD+ ) 0.0 0.0 5.5
assign (resid 96 and name HN )(resid 83 and name HG2+ ) 0.0 0.0 5.0
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assign (resid 104 and name HN )(resid 128 and name HA ) 0.0 0.0 5.0
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assign (resid 106 and name HN )(resid 126 and name HA ) 0.0 0.0 4.2
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assign (resid 106 and name HN )(resid 127 and name HB ) 0.0 0.0 2.8
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assign (resid 107 and name HN )(resid 98 and name HB ) 0.0 0.0 5.0
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assign (resid 112 and name HN )(resid 122 and name HA ) 0.0 0.0 2.8
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assign (resid 120 and name HN )(resid 138 and name HA ) 0.0 0.0 4.2
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assign (resid 121 and name HN )(resid 112 and name HG1+ ) 0.0 0.0 5.0
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assign (resid 123 and name HN )(resid 110 and name HN ) 0.0 0.0 4.2
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assign (resid 124 and name HN )(resid 135 and name HB+ ) 0.0 0.0 5.0
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assign (resid 125 and name HN )(resid 109 and name HA ) 0.0 0.0 4.2
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assign (resid 126 and name HN )(resid 134 and name HA ) 0.0 0.0 5.0
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assign (resid 127 and name HN )(resid 106 and name HB1 ) 0.0 0.0 5.0
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assign (resid 128 and name HN )(resid 133 and name HD+ ) 0.0 0.0 5.5
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assign (resid 129 and name HN )(resid 104 and name HA ) 0.0 0.0 3.3
assign (resid 129 and name HN )(resid 104 and name HN ) 0.0 0.0 5.0
assign (resid 129 and name HN )(resid 105 and name HB ) 0.0 0.0 4.2
assign (resid 129 and name HN )(resid 105 and name HN ) 0.0 0.0 5.0
assign (resid 129 and name HN )(resid 105 and name HG2+ ) 0.0 0.0 5.8
assign (resid 129 and name HN )(resid 104 and name HA ) 0.0 0.0 5.0
assign (resid 133 and name HN )(resid 127 and name HA ) 0.0 0.0 3.3
assign (resid 134 and name HN )(resid 40 and name HN ) 0.0 0.0 4.2
assign (resid 135 and name HN )(resid 124 and name HN ) 0.0 0.0 3.3
assign (resid 136 and name HN )(resid 37 and name HA ) 0.0 0.0 5.0
assign (resid 136 and name HN )(resid 38 and name HN ) 0.0 0.0 3.3
assign (resid 136 and name HN )(resid 39 and name HA1 ) 0.0 0.0 4.2
assign (resid 136 and name HN )(resid 39 and name HA2 ) 0.0 0.0 4.2
assign (resid 136 and name HN )(resid 42 and name HD1+ ) 0.0 0.0 5.0
assign (resid 137 and name HN )(resid 122 and name HB ) 0.0 0.0 4.2
assign (resid 137 and name HN )(resid 122 and name HG1+ ) 0.0 0.0 5.0
assign (resid 137 and name HN )(resid 122 and name HG2+ ) 0.0 0.0 5.0
assign (resid 137 and name HN )(resid 122 and name HN ) 0.0 0.0 3.3
assign (resid 137 and name HN )(resid 123 and name HA ) 0.0 0.0 4.2
assign (resid 137 and name HN )(resid 124 and name HN ) 0.0 0.0 4.2
assign (resid 138 and name HN )(resid 36 and name HA1 ) 0.0 0.0 5.0
assign (resid 138 and name HN )(resid 37 and name HA ) 0.0 0.0 4.2
assign (resid 139 and name HN )(resid 119 and name HA ) 0.0 0.0 5.0
assign (resid 139 and name HN )(resid 120 and name HN ) 0.0 0.0 3.3
assign (resid 139 and name HN )(resid 120 and name HB+ ) 0.0 0.0 5.0
assign (resid 139 and name HN )(resid 121 and name HA ) 0.0 0.0 4.2
assign (resid 140 and name HN )(resid 35 and name HG++ ) 0.0 0.0 4.2
assign (resid 141 and name HN )(resid 119 and name HA ) 0.0 0.0 3.3
assign (resid 168 and name HN )(resid 38 and name HA ) 0.0 0.0 4.2
assign (resid 19 and name HA )(resid 112 and name HA ) 0.0 0.0 5.0
assign (resid 31 and name HA )(resid 56 and name HA ) 0.0 0.0 3.3
assign (resid 33 and name HA )(resid 54 and name HA ) 0.0 0.0 3.3
assign (resid 38 and name HA )(resid 167 and name HA ) 0.0 0.0 3.3
assign (resid 169 and name HA )(resid 36 and name HA1 ) 0.0 0.0 4.2
assign (resid 169 and name HA )(resid 36 and name HA2 ) 0.0 0.0 3.3
assign (resid 65 and name HA )(resid 59 and name HA ) 0.0 0.0 4.2
assign (resid 69 and name HA )(resid 55 and name HA ) 0.0 0.0 3.3
assign (resid 66 and name HA )(resid 83 and name HA ) 0.0 0.0 3.3
assign (resid 77 and name HA )(resid 72 and name HA ) 0.0 0.0 2.8
assign (resid 79 and name HA )(resid 70 and name HA ) 0.0 0.0 3.3
assign (resid 84 and name HA )(resid 95 and name HA ) 0.0 0.0 3.3
assign (resid 93 and name HA )(resid 86 and name HA ) 0.0 0.0 3.3
assign (resid 92 and name HA )(resid 110 and name HA ) 0.0 0.0 3.3
assign (resid 128 and name HA )(resid 104 and name HA ) 0.0 0.0 3.3
assign (resid 109 and name HA )(resid 124 and name HA ) 0.0 0.0 3.3
assign (resid 111 and name HA )(resid 122 and name HA ) 0.0 0.0 3.3
assign (resid 120 and name HA )(resid 114 and name HA ) 0.0 0.0 3.3
assign (resid 119 and name HA )(resid 140 and name HA1 ) 0.0 0.0 4.2
assign (resid 119 and name HA )(resid 140 and name HA2 ) 0.0 0.0 3.3
assign (resid 121 and name HA )(resid 138 and name HA ) 0.0 0.0 3.3
assign (resid 123 and name HA )(resid 136 and name HA ) 0.0 0.0 2.8
assign (resid 134 and name HA )(resid 125 and name HA ) 0.0 0.0 3.3
assign (resid 132 and name HA )(resid 127 and name HA ) 0.0 0.0 3.3
assign (resid 135 and name HA )(resid 39 and name HA1 ) 0.0 0.0 3.3
assign (resid 135 and name HA )(resid 39 and name HA2 ) 0.0 0.0 3.3
assign (resid 137 and name HA )(resid 37 and name HA ) 0.0 0.0 3.3
assign (resid 139 and name HA )(resid 34 and name HA ) 0.0 0.0 3.3
assign (resid 9 and name HD1+ )(resid 163 and name HD1 ) 0.0 0.0 4.1
assign (resid 9 and name HD1+ )(resid 163 and name HD1 ) 0.0 0.0 4.1
assign (resid 9 and name HD1+ )(resid 162 and name HD2+ ) 0.0 0.0 5.0
assign (resid 9 and name HG2+ )(resid 162 and name HD2+ ) 0.0 0.0 5.0
assign (resid 18 and name HA )(resid 112 and name HG2+ ) 0.0 0.0 5.0
assign (resid 18 and name HD+ )(resid 113 and name HN ) 0.0 0.0 5.8
assign (resid 18 and name HG1 )(resid 112 and name HG1+ ) 0.0 0.0 5.0
assign (resid 25 and name HB1 )(resid 59 and name HD1+ ) 0.0 0.0 3.6
assign (resid 25 and name HB1 )(resid 59 and name HD2+ ) 0.0 0.0 5.0
assign (resid 25 and name HB2 )(resid 59 and name HD1+ ) 0.0 0.0 5.0
assign (resid 25 and name HB2 )(resid 59 and name HD2+ ) 0.0 0.0 5.8
assign (resid 25 and name HB1 )(resid 59 and name HB1 ) 0.0 0.0 5.0
assign (resid 25 and name HB2 )(resid 59 and name HB1 ) 0.0 0.0 4.2
assign (resid 26 and name HA )(resid 59 and name HD2+ ) 0.0 0.0 4.1
assign (resid 26 and name HA )(resid 59 and name HD1+ ) 0.0 0.0 5.8
assign (resid 26 and name HB1 )(resid 59 and name HD2+ ) 0.0 0.0 4.1
assign (resid 26 and name HB2 )(resid 59 and name HD2+ ) 0.0 0.0 4.1
assign (resid 29 and name HA )(resid 57 and name HB2 ) 0.0 0.0 3.3
assign (resid 30 and name HA2 )(resid 56 and name HG1+ ) 0.0 0.0 5.8
assign (resid 30 and name HA2 )(resid 56 and name HG2+ ) 0.0 0.0 5.0
assign (resid 30 and name HA1 )(resid 56 and name HG2+ ) 0.0 0.0 5.8
assign (resid 34 and name HG1+ )(resid 52 and name HA ) 0.0 0.0 4.1
assign (resid 34 and name HG2+ )(resid 52 and name HA ) 0.0 0.0 5.8
assign (resid 34 and name HG2+ )(resid 139 and name HA ) 0.0 0.0 5.8
assign (resid 35 and name HG++ )(resid 139 and name HA ) 0.0 0.0 4.7
assign (resid 38 and name HA )(resid 167 and name HB ) 0.0 0.0 5.0
assign (resid 38 and name HA )(resid 167 and name HG2+ ) 0.0 0.0 5.0
assign (resid 38 and name HA )(resid 168 and name HN ) 0.0 0.0 5.0
assign (resid 38 and name HB+ )(resid 136 and name HN ) 0.0 0.0 5.8
assign (resid 38 and name HB+ )(resid 167 and name HA ) 0.0 0.0 4.1
assign (resid 38 and name HB+ )(resid 168 and name HN ) 0.0 0.0 5.0
assign (resid 42 and name HD1+ )(resid 37 and name HD1+ ) 0.0 0.0 4.3
assign (resid 42 and name HG2+ )(resid 37 and name HD1+ ) 0.0 0.0 4.3
assign (resid 52 and name HE+ )(resid 35 and name HG++ ) 0.0 0.0 5.0
assign (resid 54 and name HB+ )(resid 33 and name HA ) 0.0 0.0 5.0
assign (resid 54 and name HB+ )(resid 70 and name HG++ ) 0.0 0.0 4.7
assign (resid 54 and name HB+ )(resid 34 and name HG2+ ) 0.0 0.0 5.0
assign (resid 56 and name HG2+ )(resid 68 and name HB ) 0.0 0.0 5.0
assign (resid 56 and name HG2+ )(resid 31 and name HB+ ) 0.0 0.0 5.9
assign (resid 56 and name HG2+ )(resid 31 and name HA ) 0.0 0.0 4.1
assign (resid 56 and name HB )(resid 68 and name HB ) 0.0 0.0 2.8
assign (resid 64 and name HA )(resid 84 and name HN ) 0.0 0.0 5.0
assign (resid 64 and name HA )(resid 85 and name HG2+ ) 0.0 0.0 5.8
assign (resid 65 and name HA )(resid 59 and name HD1+ ) 0.0 0.0 5.8
assign (resid 79 and name HA )(resid 70 and name HG++ ) 0.0 0.0 5.5
assign (resid 83 and name HA )(resid 67 and name HG2+ ) 0.0 0.0 4.1
assign (resid 85 and name HG2+ )(resid 64 and name HN ) 0.0 0.0 5.8
assign (resid 96 and name HA2 )(resid 104 and name HD2+ ) 0.0 0.0 5.8
assign (resid 96 and name HA1 )(resid 104 and name HD2+ ) 0.0 0.0 4.1
assign (resid 96 and name HA2 )(resid 104 and name HD1+ ) 0.0 0.0 5.8
assign (resid 96 and name HA1 )(resid 104 and name HD1+ ) 0.0 0.0 5.0
assign (resid 96 and name HA2 )(resid 83 and name HG2+ ) 0.0 0.0 5.8
assign (resid 104 and name HD1+ )(resid 128 and name HA ) 0.0 0.0 5.8
assign (resid 106 and name HA )(resid 98 and name HD1+ ) 0.0 0.0 4.1
assign (resid 106 and name HA )(resid 98 and name HG2+ ) 0.0 0.0 5.0
assign (resid 109 and name HG2+ )(resid 93 and name HN ) 0.0 0.0 5.0
assign (resid 109 and name HG2+ )(resid 93 and name HB1 ) 0.0 0.0 5.8
assign (resid 109 and name HG1+ )(resid 93 and name HB2 ) 0.0 0.0 5.0
assign (resid 109 and name HG1+ )(resid 93 and name HB1 ) 0.0 0.0 5.8
assign (resid 109 and name HG2+ )(resid 93 and name HB2 ) 0.0 0.0 5.0
assign (resid 109 and name HG2+ )(resid 94 and name HA ) 0.0 0.0 5.0
assign (resid 112 and name HG1+ )(resid 18 and name HB2 ) 0.0 0.0 5.0
assign (resid 112 and name HG1+ )(resid 18 and name HD+ ) 0.0 0.0 4.3
assign (resid 112 and name HG1+ )(resid 121 and name HE+ ) 0.0 0.0 4.3
assign (resid 111 and name HG2+ )(resid 122 and name HA ) 0.0 0.0 5.0
assign (resid 114 and name HG2+ )(resid 120 and name HB+ ) 0.0 0.0 5.0
assign (resid 119 and name HA )(resid 138 and name HG ) 0.0 0.0 5.0
assign (resid 119 and name HA )(resid 138 and name HG ) 0.0 0.0 5.0
assign (resid 120 and name HA )(resid 114 and name HB ) 0.0 0.0 4.2
assign (resid 120 and name HB+ )(resid 114 and name HB ) 0.0 0.0 3.6
assign (resid 121 and name HA )(resid 137 and name HN ) 0.0 0.0 5.0
assign (resid 121 and name HA )(resid 138 and name HB2 ) 0.0 0.0 5.0
assign (resid 121 and name HB2 )(resid 112 and name HN ) 0.0 0.0 5.0
assign (resid 121 and name HE+ )(resid 112 and name HG1+ ) 0.0 0.0 4.2
assign (resid 122 and name HG1+ )(resid 110 and name HN ) 0.0 0.0 5.8
assign (resid 122 and name HG1+ )(resid 111 and name HA ) 0.0 0.0 5.0
assign (resid 122 and name HG2+ )(resid 139 and name HD+ ) 0.0 0.0 5.5
assign (resid 122 and name HG2+ )(resid 139 and name HE+ ) 0.0 0.0 5.5
assign (resid 122 and name HG1+ )(resid 136 and name HA ) 0.0 0.0 5.8
assign (resid 123 and name HB1 )(resid 112 and name HG2+ ) 0.0 0.0 5.8
assign (resid 123 and name HB2 )(resid 112 and name HG2+ ) 0.0 0.0 5.8
assign (resid 127 and name HG2+ )(resid 105 and name HG2+ ) 0.0 0.0 5.0
assign (resid 127 and name HG2+ )(resid 106 and name HB1 ) 0.0 0.0 4.1
assign (resid 127 and name HG2+ )(resid 106 and name HB2 ) 0.0 0.0 4.1
assign (resid 127 and name HG2+ )(resid 133 and name HN ) 0.0 0.0 4.1
assign (resid 127 and name HG2+ )(resid 132 and name HA ) 0.0 0.0 3.6
assign (resid 136 and name HA )(resid 124 and name HN ) 0.0 0.0 5.0
assign (resid 136 and name HD1+ )(resid 123 and name HA ) 0.0 0.0 5.0
assign (resid 136 and name HG12 )(resid 123 and name HA ) 0.0 0.0 5.0
assign (resid 136 and name HG2+ )(resid 123 and name HA ) 0.0 0.0 5.0
assign (resid 139 and name HA )(resid 35 and name HG++ ) 0.0 0.0 5.5
assign (resid 140 and name HA1 )(resid 145 and name HG ) 0.0 0.0 4.2
assign (resid 140 and name HA2 )(resid 145 and name HG ) 0.0 0.0 4.2
assign (resid 140 and name HA1 )(resid 145 and name HD1+) ) 0.0 4.1 0.0
assign (resid 140 and name HA2 )(resid 145 and name HD1+ ) 0.0 0.0 5.0
assign (resid 145 and name HG )(resid 118 and name HG+ ) 0.0 0.0 5.8
assign (resid 145 and name HG )(resid 118 and name HB1 ) 0.0 0.0 4.2
assign (resid 145 and name HG )(resid 118 and name HE21 ) 0.0 0.0 5.0
assign (resid 145 and name HG )(resid 119 and name HB2 ) 0.0 0.0 5.0
assign (resid 145 and name HG )(resid 119 and name HA ) 0.0 0.0 5.0
assign (resid 153 and name HB2 )(resid 138 and name HD2+ ) 0.0 0.0 5.8
assign (resid 167 and name HA )(resid 38 and name HB+ ) 0.0 0.0 5.8
assign (resid 167 and name HG2+ )(resid 38 and name HA ) 0.0 0.0 5.8
assign (resid 167 and name HG2+ )(resid 38 and name HB+ ) 0.0 0.0 4.3
assign (resid 141 and name HH2+ )(resid 32 and name HE1 ) 0.0 0.0 5.0
assign (resid 141 and name HH1+ )(resid 32 and name HE1 ) 0.0 0.0 5.0
assign (resid 141 and name HH2+ )(resid 32 and name HZ2 ) 0.0 0.0 5.0
assign (resid 141 and name HH2+ )(resid 32 and name HH2 ) 0.0 0.0 5.0
assign (resid 141 and name HH2+ )(resid 114 and name HN ) 0.0 0.0 5.8
assign (resid 141 and name HH2+ )(resid 115 and name HN ) 0.0 0.0 4.1
assign (resid 141 and name HH2+ )(resid 116 and name HN ) 0.0 0.0 4.1
assign (resid 141 and name HE )(resid 32 and name HH2 ) 0.0 0.0 5.0
assign (resid 141 and name HE )(resid 32 and name HZ2 ) 0.0 0.0 5.0
assign (resid 30 and name HA1 )(resid 141 and name HH1+ ) 0.0 0.0 5.0
assign (resid 30 and name HA2 )(resid 141 and name HH1+ ) 0.0 0.0 5.8
assign (resid 120 and name HN )(resid 141 and name HH2+ ) 0.0 0.0 5.8
assign (resid 120 and name HA )(resid 141 and name HH2+ ) 0.0 0.0 5.8
assign (resid 120 and name HB+ )(resid 141 and name HH2+ ) 0.0 0.0 5.0
assign (resid 114 and name HB )(resid 141 and name HH2+ ) 0.0 0.0 5.6
assign (resid 114 and name HG+ )(resid 141 and name HH2+ ) 0.0 0.0 5.9
assign (resid 160 and name HD2+ )(resid 17 and name HG2+ ) 0.0 0.0 5.0
assign (resid 167 and name HD1+ )(resid 16 and name HE+ ) 0.0 0.0 5.9
assign (resid 67 and name HG1+ )(resid 84 and name HE+ ) 0.0 0.0 5.6
assign (resid 67 and name HG2+ )(resid 84 and name HE+ ) 0.0 0.0 6.6
assign (resid 67 and name HG2+ )(resid 65 and name HD+ ) 0.0 0.0 6.6
assign (resid 67 and name HG2+ )(resid 84 and name HD+ ) 0.0 0.0 5.6
assign (resid 67 and name HG1+ )(resid 84 and name HD+ ) 0.0 0.0 7.3
assign (resid 67 and name HG2+ )(resid 57 and name HD+ ) 0.0 0.0 5.1
assign (resid 67 and name HG1+ )(resid 57 and name HD+ ) 0.0 0.0 5.6
assign (resid 67 and name HG2+ )(resid 84 and name HB1 ) 0.0 0.0 6.0
assign (resid 67 and name HG2+ )(resid 84 and name HB2 ) 0.0 0.0 5.1
assign (resid 67 and name HG1+ )(resid 55 and name HG2+ ) 0.0 0.0 4.4
assign (resid 138 and name HB1 )(resid 153 and name HD+ ) 0.0 0.0 5.8
assign (resid 20 and name HE21 )(resid 114 and name HN ) 0.0 0.0 5.0
!! H-bond restraints
!!
!strand 1a-2
assign (resid 30 and name HN )(resid 57 and name O ) 2.1 0.4 0.4
assign (resid 30 and name N )(resid 57 and name O ) 3.1 0.5 0.4
assign (resid 57 and name HN )(resid 30 and name O ) 2.1 0.4 0.4
assign (resid 57 and name N )(resid 30 and name O ) 3.1 0.5 0.4
assign (resid 32 and name HN )(resid 55 and name O ) 2.1 0.4 0.4
assign (resid 32 and name N )(resid 55 and name O ) 3.1 0.5 0.4
assign (resid 55 and name HN )(resid 32 and name O ) 2.1 0.4 0.4
assign (resid 55 and name N )(resid 32 and name O ) 3.1 0.5 0.4
!strand 1b-8
assign (resid 38 and name HN )(resid 136 and name O ) 2.1 0.4 0.4
assign (resid 38 and name N )(resid 136 and name O ) 3.1 0.5 0.4
assign (resid 136 and name HN )(resid 38 and name O ) 2.1 0.4 0.4
assign (resid 136 and name N )(resid 38 and name O ) 3.1 0.5 0.4
assign (resid 40 and name HN )(resid 134 and name O ) 2.1 0.4 0.4
assign (resid 40 and name N )(resid 134 and name O ) 3.1 0.5 0.4
! b-bulge
assign (resid 35 and name HN )(resid 138 and name O ) 2.1 0.4 0.4
assign (resid 35 and name N )(resid 138 and name O ) 3.1 0.5 0.4
assign (resid 36 and name HN )(resid 138 and name O ) 2.1 0.4 0.4
assign (resid 36 and name N )(resid 138 and name O ) 3.1 0.5 0.4
assign (resid 138 and name HN )(resid 36 and name O ) 2.1 0.4 0.4
assign (resid 138 and name N )(resid 36 and name O ) 3.1 0.5 0.4
assign (resid 33 and name HN )(resid 140 and name O ) 2.1 0.4 0.4
assign (resid 33 and name N )(resid 140 and name O ) 3.1 0.5 0.4
assign (resid 140 and name HN )(resid 33 and name O ) 2.1 0.4 0.4
assign (resid 140 and name N )(resid 33 and name O ) 3.1 0.5 0.4
!strand 1b-9
assign (resid 37 and name HN )(resid 168 and name O ) 2.1 0.4 0.4
assign (resid 37 and name N )(resid 168 and name O ) 3.1 0.5 0.4
assign (resid 168 and name HN )(resid 37 and name O ) 2.1 0.4 0.4
assign (resid 168 and name N )(resid 37 and name O ) 3.1 0.5 0.4
!strand 2-3
assign (resid 56 and name HN )(resid 68 and name O ) 2.1 0.4 0.4
assign (resid 56 and name N )(resid 68 and name O ) 3.1 0.5 0.4
assign (resid 68 and name HN )(resid 56 and name O ) 2.1 0.4 0.4
assign (resid 68 and name N )(resid 56 and name O ) 3.1 0.5 0.4
assign (resid 58 and name HN )(resid 66 and name O ) 2.1 0.4 0.4
assign (resid 58 and name N )(resid 66 and name O ) 3.1 0.5 0.4
assign (resid 66 and name HN )(resid 58 and name O ) 2.1 0.4 0.4
assign (resid 66 and name N )(resid 58 and name O ) 3.1 0.5 0.4
!strand 3-4
assign (resid 71 and name HN )(resid 78 and name O ) 2.1 0.4 0.4
assign (resid 71 and name N )(resid 78 and name O ) 3.1 0.5 0.4
assign (resid 78 and name HN )(resid 71 and name O ) 2.1 0.4 0.4
assign (resid 78 and name N )(resid 71 and name O ) 3.1 0.5 0.4
assign (resid 69 and name HN )(resid 80 and name O ) 2.1 0.4 0.4
assign (resid 69 and name N )(resid 80 and name O ) 3.1 0.5 0.4
assign (resid 80 and name HN )(resid 69 and name O ) 2.1 0.4 0.4
assign (resid 80 and name N )(resid 69 and name O ) 3.1 0.5 0.4
assign (resid 67 and name HN )(resid 82 and name O ) 2.1 0.4 0.4
assign (resid 67 and name N )(resid 82 and name O ) 3.1 0.5 0.4
assign (resid 82 and name HN )(resid 67 and name O ) 2.1 0.4 0.4
assign (resid 82 and name N )(resid 67 and name O ) 3.1 0.5 0.4
assign (resid 65 and name HN )(resid 84 and name O ) 2.1 0.4 0.4
assign (resid 65 and name N )(resid 84 and name O ) 3.1 0.5 0.4
assign (resid 84 and name HN )(resid 65 and name O ) 2.1 0.4 0.4
assign (resid 84 and name N )(resid 65 and name O ) 3.1 0.5 0.4
!b-turn 3-4
assign (resid 76 and name HN )(resid 73 and name O ) 2.1 0.4 0.4
assign (resid 76 and name N )(resid 73 and name O ) 3.1 0.5 0.4
!strand 4-5
assign (resid 85 and name HN )(resid 94 and name O ) 2.1 0.4 0.4
assign (resid 85 and name N )(resid 94 and name O ) 3.1 0.5 0.4
assign (resid 94 and name HN )(resid 85 and name O ) 2.1 0.4 0.4
assign (resid 94 and name N )(resid 85 and name O ) 3.1 0.5 0.4
assign (resid 96 and name HN )(resid 83 and name O ) 2.1 0.4 0.4
assign (resid 96 and name N )(resid 83 and name O ) 3.1 0.5 0.4
!b-turn 5-4
assign (resid 92 and name HN )(resid 89 and name O ) 2.1 0.4 0.4
assign (resid 92 and name N )(resid 89 and name O ) 3.1 0.5 0.4
!strand 5-6
assign (resid 93 and name HN )(resid 109 and name O ) 2.1 0.4 0.4
assign (resid 93 and name N )(resid 109 and name O ) 3.1 0.5 0.4
assign (resid 109 and name HN )(resid 93 and name O ) 2.1 0.4 0.4
assign (resid 109 and name N )(resid 93 and name O ) 3.1 0.5 0.4
!strand 6-7
assign (resid 105 and name HN )(resid 127 and name O ) 2.1 0.4 0.4
assign (resid 105 and name N )(resid 127 and name O ) 3.1 0.5 0.4
assign (resid 129 and name HN )(resid 103 and name O ) 2.1 0.4 0.4
assign (resid 129 and name N )(resid 103 and name O ) 3.1 0.5 0.4
assign (resid 108 and name HN )(resid 125 and name O ) 2.1 0.4 0.4
assign (resid 108 and name N )(resid 125 and name O ) 3.1 0.5 0.4
assign (resid 125 and name HN )(resid 108 and name O ) 2.1 0.4 0.4
assign (resid 125 and name N )(resid 108 and name O ) 3.1 0.5 0.4
assign (resid 110 and name HN )(resid 123 and name O ) 2.1 0.4 0.4
assign (resid 110 and name N )(resid 123 and name O ) 3.1 0.5 0.4
assign (resid 123 and name HN )(resid 110 and name O ) 2.1 0.4 0.4
assign (resid 123 and name N )(resid 110 and name O ) 3.1 0.5 0.4
! strand 6 b-bulge
assign (resid 112 and name HN )(resid 121 and name O ) 2.1 0.4 0.4
assign (resid 112 and name N )(resid 121 and name O ) 3.1 0.5 0.4
assign (resid 121 and name HN )(resid 113 and name O ) 2.1 0.4 0.4
assign (resid 121 and name N )(resid 113 and name O ) 3.1 0.5 0.4
!strand 7-8
assign (resid 120 and name HN )(resid 139 and name O ) 2.1 0.4 0.4
assign (resid 120 and name N )(resid 139 and name O ) 3.1 0.5 0.4
assign (resid 139 and name HN )(resid 120 and name O ) 2.1 0.4 0.4
assign (resid 139 and name N )(resid 120 and name O ) 3.1 0.5 0.4
assign (resid 122 and name HN )(resid 137 and name O ) 2.1 0.4 0.4
assign (resid 122 and name N )(resid 137 and name O ) 3.1 0.5 0.4
assign (resid 137 and name HN )(resid 122 and name O ) 2.1 0.4 0.4
assign (resid 137 and name N )(resid 122 and name O ) 3.1 0.5 0.4
assign (resid 124 and name HN )(resid 135 and name O ) 2.1 0.4 0.4
assign (resid 124 and name N )(resid 135 and name O ) 3.1 0.5 0.4
assign (resid 135 and name HN )(resid 124 and name O ) 2.1 0.4 0.4
assign (resid 135 and name N )(resid 124 and name O ) 3.1 0.5 0.4
assign (resid 126 and name HN )(resid 133 and name O ) 2.1 0.4 0.4
assign (resid 126 and name N )(resid 133 and name O ) 3.1 0.5 0.4
assign (resid 133 and name HN )(resid 126 and name O ) 2.1 0.4 0.4
assign (resid 133 and name N )(resid 126 and name O ) 3.1 0.5 0.4
assign (resid 128 and name HN )(resid 131 and name O ) 2.1 0.4 0.4
assign (resid 128 and name N )(resid 131 and name O ) 3.1 0.5 0.4
assign (resid 131 and name HN )(resid 128 and name O ) 2.1 0.4 0.4
assign (resid 131 and name N )(resid 128 and name O ) 3.1 0.5 0.4
! helix 148-156
assign (resid 152 and name HN )(resid 148 and name O ) 2.1 0.4 0.4
assign (resid 152 and name N )(resid 148 and name O ) 3.1 0.5 0.4
assign (resid 153 and name HN )(resid 149 and name O ) 2.1 0.4 0.4
assign (resid 153 and name N )(resid 149 and name O ) 3.1 0.5 0.4
assign (resid 154 and name HN )(resid 150 and name O ) 2.1 0.4 0.4
assign (resid 154 and name N )(resid 150 and name O ) 3.1 0.5 0.4
assign (resid 155 and name HN )(resid 151 and name O ) 2.1 0.4 0.4
assign (resid 155 and name N )(resid 151 and name O ) 3.1 0.5 0.4
assign (resid 156 and name HN )(resid 152 and name O ) 2.1 0.4 0.4
assign (resid 156 and name N )(resid 152 and name O ) 3.1 0.5 0.4
assign (resid 157 and name HN )(resid 153 and name O ) 2.1 0.4 0.4
assign (resid 157 and name N )(resid 153 and name O ) 3.1 0.5 0.4
assign (resid 158 and name HN )(resid 154 and name O ) 2.1 0.4 0.4
assign (resid 158 and name N )(resid 154 and name O ) 3.1 0.5 0.4
assign (resid 159 and name HN )(resid 155 and name O ) 2.1 0.4 0.4
assign (resid 159 and name N )(resid 155 and name O ) 3.1 0.5 0.4
! sidechain
assign (resid 40 and name HD22 )(resid 132 and name O ) 2.1 0.4 0.4
assign (resid 40 and name ND2 )(resid 132 and name O ) 3.1 0.5 0.4
assign (resid 40 and name OD1 )(resid 134 and name HN ) 2.1 0.4 0.4
assign (resid 40 and name OD1 )(resid 134 and name N ) 3.1 0.5 0.4
!
! Dihedral Restraints
!
!Backbone
assign (resid 18 and name C )(resid 19 and name N )
(resid 19 and name CA)(resid 19 and name C ) 1 -120 30 2 !! J = 9.2
assign (resid 24 and name C )(resid 25 and name N )
(resid 25 and name CA)(resid 25 and name C ) 1 -60 20 2 !! J = 2.6
assign (resid 25 and name C )(resid 26 and name N )
(resid 26 and name CA)(resid 26 and name C ) 1 -60 20 2 ! j=4.2
assign (resid 30 and name C )(resid 31 and name N )
(resid 31 and name CA)(resid 31 and name C ) 1 -130 30 2 !! J ~ 8.5
assign (resid 31 and name C )(resid 32 and name N )
(resid 32 and name CA)(resid 32 and name C ) 1 -130 30 2 !! J ~ 9.0
assign (resid 32 and name C )(resid 33 and name N )
(resid 33 and name CA)(resid 33 and name C ) 1 -130 30 2 ! J=8.5
assign (resid 33 and name C )(resid 34 and name N )
(resid 34 and name CA)(resid 34 and name C ) 5 -60 20 2 !! J < 5
assign (resid 34 and name C )(resid 35 and name N )
(resid 35 and name CA)(resid 35 and name C ) 1 -130 30 2 !
assign (resid 36 and name C )(resid 37 and name N )
(resid 37 and name CA)(resid 37 and name C ) 1 -130 30 2 ! J= 8.2
assign (resid 53 and name C )(resid 54 and name N )
(resid 54 and name CA)(resid 54 and name C ) 1 -130 30 2 ! J = 8.5
assign (resid 54 and name C )(resid 55 and name N )
(resid 55 and name CA)(resid 55 and name C ) 1 -130 30 2 ! J = 8.1
assign (resid 56 and name C )(resid 57 and name N )
(resid 57 and name CA)(resid 57 and name C ) 1 -120 20 2 ! J > 8
assign (resid 57 and name C )(resid 58 and name N )
(resid 58 and name CA)(resid 58 and name C ) 1 -120 20 2 ! J > 9
assign (resid 63 and name C )(resid 64 and name N )
(resid 64 and name CA)(resid 64 and name C ) 1 -130 30 2 ! J = 8.0
assign (resid 64 and name C )(resid 65 and name N )
(resid 65 and name CA)(resid 65 and name C ) 1 -130 30 2 ! J = 9.1
assign (resid 65 and name C )(resid 66 and name N )
(resid 66 and name CA)(resid 66 and name C ) 1 -120 20 2 ! J = 9.4
assign (resid 66 and name C )(resid 67 and name N )
(resid 67 and name CA)(resid 67 and name C ) 1 -130 30 2 ! J = 8.8
assign (resid 67 and name C )(resid 68 and name N )
(resid 68 and name CA)(resid 68 and name C ) 1 -130 30 2 ! J > 8.5
assign (resid 70 and name C )(resid 71 and name N )
(resid 71 and name CA)(resid 71 and name C ) 1 -120 20 2 ! J > 9.0
assign (resid 72 and name C )(resid 73 and name N )
(resid 73 and name CA)(resid 73 and name C ) 1 -120 20 2 ! J > 9
assign (resid 75 and name C )(resid 76 and name N )
(resid 76 and name CA)(resid 76 and name C ) 1 -130 30 2 ! J = 8.9
assign (resid 76 and name C )(resid 77 and name N )
(resid 77 and name CA)(resid 77 and name C ) 1 -130 30 2 ! J > 8 a little overlapped
assign (resid 77 and name C )(resid 78 and name N )
(resid 78 and name CA)(resid 78 and name C ) 1 -120 20 2 ! J=9.5
assign (resid 78 and name C )(resid 79 and name N )
(resid 79 and name CA)(resid 79 and name C ) 1 -130 30 2 ! J > 8.5 ol
assign (resid 79 and name C )(resid 80 and name N )
(resid 80 and name CA)(resid 80 and name C ) 1 -120 20 2 ! J = 11
assign (resid 81 and name C )(resid 82 and name N )
(resid 82 and name CA)(resid 82 and name C ) 1 -130 30 2 ! J ~ 8
assign (resid 82 and name C )(resid 83 and name N )
(resid 83 and name CA)(resid 83 and name C ) 1 -120 20 2 ! J > 9.5
assign (resid 83 and name C )(resid 84 and name N )
(resid 84 and name CA)(resid 84 and name C ) 1 -120 20 2 ! J > 9.5
assign (resid 84 and name C )(resid 85 and name N )
(resid 85 and name CA)(resid 85 and name C ) 1 -120 30 2 ! J = 9.4
assign (resid 91 and name C )(resid 92 and name N )
(resid 92 and name CA)(resid 92 and name C ) 1 -120 20 2 ! J = 9.0
assign (resid 92 and name C )(resid 93 and name N )
(resid 93 and name CA)(resid 93 and name C ) 1 -130 30 2 ! J > 8
assign (resid 93 and name C )(resid 94 and name N )
(resid 94 and name CA)(resid 94 and name C ) 1 -120 20 2 ! J=9.0
assign (resid 97 and name C )(resid 98 and name N )
(resid 98 and name CA)(resid 98 and name C ) 1 -60 20 2 ! J = 3.8
assign (resid 103 and name C )(resid 104 and name N )
(resid 104 and name CA)(resid 104 and name C ) 1 -130 30 2 ! J > 8.5
assign (resid 105 and name C )(resid 106 and name N )
(resid 106 and name CA)(resid 106 and name C ) 1 -130 30 2 ! J > 8.0
assign (resid 106 and name C )(resid 107 and name N )
(resid 107 and name CA)(resid 107 and name C ) 1 -130 30 2 ! J > 8.5
assign (resid 107 and name C )(resid 108 and name N )
(resid 108 and name CA)(resid 108 and name C ) 1 -120 20 2 ! J = 9.2
assign (resid 108 and name C )(resid 109 and name N )
(resid 109 and name CA)(resid 109 and name C ) 1 -120 20 2 ! J = 9.6
assign (resid 109 and name C )(resid 110 and name N )
(resid 110 and name CA)(resid 110 and name C ) 1 -130 30 2 ! J = 8.2
assign (resid 113 and name C )(resid 114 and name N )
(resid 114 and name CA)(resid 114 and name C ) 1 -120 20 2 ! J > 9
assign (resid 115 and name C )(resid 116 and name N )
(resid 116 and name CA)(resid 116 and name C ) 1 -60 30 2 ! J = 3.7
assign (resid 117 and name C )(resid 118 and name N )
(resid 118 and name CA)(resid 118 and name C ) 1 -120 20 2 ! J = 11.1
assign (resid 118 and name C )(resid 119 and name N )
(resid 119 and name CA)(resid 119 and name C ) 1 -120 30 2 ! J = 8.8
assign (resid 119 and name C )(resid 120 and name N )
(resid 120 and name CA)(resid 120 and name C ) 1 -130 30 2 ! J > 8.0
assign (resid 120 and name C )(resid 121 and name N )
(resid 121 and name CA)(resid 121 and name C ) 1 -130 30 2 ! J > 8.0
assign (resid 121 and name C )(resid 122 and name N )
(resid 122 and name CA)(resid 122 and name C ) 1 -120 20 2 ! J = 10.8
assign (resid 122 and name C )(resid 123 and name N )
(resid 123 and name CA)(resid 123 and name C ) 1 -120 20 2 ! J = 9.2
assign (resid 123 and name C )(resid 124 and name N )
(resid 124 and name CA)(resid 124 and name C ) 1 -120 20 2 ! J = 9.5
assign (resid 125 and name C )(resid 126 and name N )
(resid 126 and name CA)(resid 126 and name C ) 1 -130 30 2 ! J = 8.8
assign (resid 126 and name C )(resid 127 and name N )
(resid 127 and name CA)(resid 127 and name C ) 1 -120 20 2 ! J = 9.7
assign (resid 127 and name C )(resid 128 and name N )
(resid 128 and name CA)(resid 128 and name C ) 1 -120 20 2 ! J = 9.3
assign (resid 128 and name C )(resid 129 and name N )
(resid 129 and name CA)(resid 129 and name C ) 1 -30 30 2 ! J = 6.7??
assign (resid 130 and name C )(resid 131 and name N )
(resid 131 and name CA)(resid 131 and name C ) 1 -120 20 2 ! J = 9.6
assign (resid 131 and name C )(resid 132 and name N )
(resid 132 and name CA)(resid 132 and name C ) 1 -130 30 2 ! J = 8.4
assign (resid 132 and name C )(resid 133 and name N )
(resid 133 and name CA)(resid 133 and name C ) 1 -120 20 2 ! J = 9.3
assign (resid 135 and name C )(resid 136 and name N )
(resid 136 and name CA)(resid 136 and name C ) 1 -120 20 2 ! J = 9.2
assign (resid 136 and name C )(resid 137 and name N )
(resid 137 and name CA)(resid 137 and name C ) 1 -120 20 2 ! J = 10.5
assign (resid 137 and name C )(resid 138 and name N )
(resid 138 and name CA)(resid 138 and name C ) 1 -120 20 2 ! J = 9.6
assign (resid 138 and name C )(resid 139 and name N )
(resid 139 and name CA)(resid 139 and name C ) 1 -130 30 2 ! J = 8.8
assign (resid 146 and name C )(resid 147 and name N )
(resid 147 and name CA)(resid 147 and name C ) 1 -60 20 2 ! J = 2.6
assign (resid 147 and name C )(resid 148 and name N )
(resid 148 and name CA)(resid 148 and name C ) 1 -60 20 2 ! J = 3.7
assign (resid 148 and name C )(resid 149 and name N )
(resid 149 and name CA)(resid 149 and name C ) 1 -60 20 2
assign (resid 149 and name C )(resid 150 and name N )
(resid 150 and name CA)(resid 150 and name C ) 1 -60 20 2 ! J = 1.5
assign (resid 150 and name C )(resid 151 and name N )
(resid 151 and name CA)(resid 151 and name C ) 1 -60 20 2 ! J = 4.4
assign (resid 151 and name C )(resid 152 and name N )
(resid 152 and name CA)(resid 152 and name C ) 1 -60 20 2 ! J = 4.0
assign (resid 152 and name C )(resid 153 and name N )
(resid 153 and name CA)(resid 153 and name C ) 1 -60 20 2
assign (resid 153 and name C )(resid 154 and name N )
(resid 154 and name CA)(resid 154 and name C ) 1 -60 20 2 ! J = 3.9
assign (resid 154 and name C )(resid 155 and name N )
(resid 155 and name CA)(resid 155 and name C ) 1 -60 20 2 ! J = 4.1
assign (resid 155 and name C )(resid 156 and name N )
(resid 156 and name CA)(resid 156 and name C ) 1 -60 20 2 ! J = 3.7
assign (resid 156 and name C )(resid 157 and name N )
(resid 157 and name CA)(resid 157 and name C ) 1 -60 20 2
assign (resid 157 and name C )(resid 158 and name N )
(resid 158 and name CA)(resid 158 and name C ) 1 -60 30 2 ! J = 4.6
assign (resid 158 and name C )(resid 159 and name N )
(resid 159 and name CA)(resid 159 and name C ) 1 -60 30 2 ! J = 4.2
assign (resid 166 and name C )(resid 167 and name N )
(resid 167 and name CA)(resid 167 and name C ) 1 -120 20 2 ! J = 9.2
assign (resid 167 and name C )(resid 168 and name N )
(resid 168 and name CA)(resid 168 and name C ) 1 -120 20 2 ! J = 9.7
assign (resid 168 and name C )(resid 169 and name N )
(resid 169 and name CA)(resid 169 and name C ) 1 -120 20 2 ! J = 10.1
!! Sidechain
assign (resid 5 and name N )(resid 5 and name CA )
(resid 5 and name CB )(resid 5 and name OG1 ) 1 60 45 2
assign (resid 9 and name N )(resid 9 and name CA )
(resid 9 and name CB )(resid 9 and name CG1 ) 1 -60 45 2
assign (resid 10 and name N )(resid 10 and name CA )
(resid 10 and name CB )(resid 10 and name CG ) 1 60 45 2
assign (resid 14 and name N )(resid 14 and name CA )
(resid 14 and name CB )(resid 14 and name CG ) 1 60 45 2
assign (resid 16 and name N )(resid 16 and name CA )
(resid 16 and name CB )(resid 16 and name CG ) 1 60 45 2
assign (resid 17 and name N )(resid 17 and name CA )
(resid 17 and name CB )(resid 17 and name CG2 ) 1 -60 45 2
assign (resid 19 and name N )(resid 19 and name CA )
(resid 19 and name CB )(resid 19 and name CG ) 1 60 45 2
assign (resid 20 and name N )(resid 20 and name CA )
(resid 20 and name CB )(resid 20 and name CG ) 1 180 45 2
assign (resid 22 and name N )(resid 22 and name CA )
(resid 22 and name CB )(resid 22 and name CG ) 1 60 45 2
assign (resid 23 and name N )(resid 23 and name CA )
(resid 23 and name CB )(resid 23 and name CG ) 1 180 45 2
assign (resid 24 and name N )(resid 24 and name CA )
(resid 24 and name CB )(resid 24 and name CG ) 1 -60 45 2
assign (resid 25 and name N )(resid 25 and name CA )
(resid 25 and name CB )(resid 25 and name CG ) 1 60 45 2
assign (resid 26 and name N )(resid 26 and name CA )
(resid 26 and name CB )(resid 26 and name CG ) 1 60 45 2
assign (resid 31 and name N )(resid 31 and name CA )
(resid 31 and name CB )(resid 31 and name CG ) 1 180 45 2
assign (resid 34 and name N )(resid 34 and name CA )
(resid 34 and name CB )(resid 34 and name CG2 ) 1 -60 45 2
assign (resid 35 and name N )(resid 35 and name CA )
(resid 35 and name CB )(resid 35 and name CG2 ) 1 -60 45 2
assign (resid 40 and name N )(resid 40 and name CA )
(resid 40 and name CB )(resid 40 and name CG ) 1 60 45 2
assign (resid 42 and name N )(resid 42 and name CA )
(resid 42 and name CB )(resid 42 and name CG1 ) 1 -60 45 2
assign (resid 48 and name N )(resid 48 and name CA )
(resid 48 and name CB )(resid 48 and name CG ) 1 180 45 2
assign (resid 53 and name N )(resid 53 and name CA )
(resid 53 and name CB )(resid 53 and name CG ) 1 60 45 2
assign (resid 55 and name N )(resid 55 and name CA )
(resid 55 and name CB )(resid 55 and name OG1 ) 1 -60 45 2
assign (resid 56 and name N )(resid 56 and name CA )
(resid 56 and name CB )(resid 56 and name CG1 ) 1 -60 45 2
assign (resid 57 and name N )(resid 57 and name CA )
(resid 57 and name CB )(resid 57 and name CG ) 1 -60 45 2
assign (resid 58 and name N )(resid 58 and name CA )
(resid 58 and name CB )(resid 58 and name CG ) 1 180 45 2
assign (resid 59 and name N )(resid 59 and name CA )
(resid 59 and name CB )(resid 59 and name CG ) 1 180 45 2
assign (resid 61 and name N )(resid 61 and name CA )
(resid 61 and name CB )(resid 61 and name CG ) 1 -60 45 2
assign (resid 62 and name N )(resid 62 and name CA )
(resid 62 and name CB )(resid 62 and name CG ) 1 60 45 2
assign (resid 63 and name N )(resid 63 and name CA )
(resid 63 and name CB )(resid 63 and name CG ) 1 60 45 2
assign (resid 66 and name N )(resid 66 and name CA )
(resid 66 and name CB )(resid 66 and name CG ) 1 180 45 2
assign (resid 67 and name N )(resid 67 and name CA )
(resid 67 and name CB )(resid 67 and name CG2 ) 1 -60 45 2
assign (resid 68 and name N )(resid 68 and name CA )
(resid 68 and name CB )(resid 68 and name OG1 ) 1 -60 45 2
assign (resid 70 and name N )(resid 70 and name CA )
(resid 70 and name CB )(resid 70 and name CG2 ) 1 -60 45 2
assign (resid 72 and name N )(resid 72 and name CA )
(resid 72 and name CB )(resid 72 and name CG ) 1 180 45 2
assign (resid 77 and name N )(resid 77 and name CA )
(resid 77 and name CB )(resid 77 and name SG ) 1 180 45 2
assign (resid 78 and name N )(resid 78 and name CA )
(resid 78 and name CB )(resid 78 and name CG ) 1 180 45 2
assign (resid 80 and name N )(resid 80 and name CA )
(resid 80 and name CB )(resid 80 and name CG ) 1 180 45 2
assign (resid 83 and name N )(resid 83 and name CA )
(resid 83 and name CB )(resid 83 and name OG1 ) 1 -60 45 2
assign (resid 84 and name N )(resid 84 and name CA )
(resid 84 and name CB )(resid 84 and name CG ) 1 -60 45 2
assign (resid 85 and name N )(resid 85 and name CA )
(resid 85 and name CB )(resid 85 and name CG2 ) 1 180 45 2
assign (resid 88 and name N )(resid 88 and name CA )
(resid 88 and name CB )(resid 88 and name SG ) 1 -60 45 2
assign (resid 89 and name N )(resid 89 and name CA )
(resid 89 and name CB )(resid 89 and name CG ) 1 60 45 2
assign (resid 93 and name N )(resid 93 and name CA )
(resid 93 and name CB )(resid 93 and name CG ) 1 -60 45 2
assign (resid 94 and name N )(resid 94 and name CA )
(resid 94 and name CB )(resid 94 and name OG1 ) 1 180 45 2
assign (resid 95 and name N )(resid 95 and name CA )
(resid 95 and name CB )(resid 95 and name CG ) 1 180 45 2
assign (resid 101 and name N )(resid 101 and name CA )
(resid 101 and name CB )(resid 101 and name CG ) 1 -60 45 2
assign (resid 104 and name N )(resid 104 and name CA )
(resid 104 and name CB )(resid 104 and name CG ) 1 180 45 2
assign (resid 107 and name N )(resid 107 and name CA )
(resid 107 and name CB )(resid 107 and name CG ) 1 180 45 2
assign (resid 108 and name N )(resid 108 and name CA )
(resid 108 and name CB )(resid 108 and name CG ) 1 180 45 2
assign (resid 109 and name N )(resid 109 and name CA )
(resid 109 and name CB )(resid 109 and name CG2 ) 1 -60 45 2
assign (resid 110 and name N )(resid 110 and name CA )
(resid 110 and name CB )(resid 110 and name CG ) 1 180 45 2
assign (resid 111 and name N )(resid 111 and name CA )
(resid 111 and name CB )(resid 111 and name CG2 ) 1 -60 45 2
assign (resid 112 and name N )(resid 112 and name CA )
(resid 112 and name CB )(resid 112 and name CG2 ) 1 -60 45 2
assign (resid 113 and name N )(resid 113 and name CA )
(resid 113 and name CB )(resid 113 and name OG ) 1 180 45 2
assign (resid 117 and name N )(resid 117 and name CA )
(resid 117 and name CB )(resid 117 and name CG ) 1 60 45 2
assign (resid 118 and name N )(resid 118 and name CA )
(resid 118 and name CB )(resid 118 and name CG ) 1 180 45 2
assign (resid 119 and name N )(resid 119 and name CA )
(resid 119 and name CB )(resid 119 and name CG ) 1 60 45 2
assign (resid 121 and name N )(resid 121 and name CA )
(resid 121 and name CB )(resid 121 and name CG ) 1 -60 45 2
assign (resid 122 and name N )(resid 122 and name CA )
(resid 122 and name CB )(resid 122 and name CG2 ) 1 -60 45 2
assign (resid 123 and name N )(resid 123 and name CA )
(resid 123 and name CB )(resid 123 and name CG ) 1 180 45 2
assign (resid 124 and name N )(resid 124 and name CA )
(resid 124 and name CB )(resid 124 and name CG ) 1 -60 45 2
assign (resid 125 and name N )(resid 125 and name CA )
(resid 125 and name CB )(resid 125 and name CG ) 1 180 45 2
assign (resid 127 and name N )(resid 127 and name CA )
(resid 127 and name CB )(resid 127 and name CG2 ) 1 -60 45 2
assign (resid 128 and name N )(resid 128 and name CA )
(resid 128 and name CB )(resid 128 and name OG ) 1 180 45 2
assign (resid 130 and name N )(resid 130 and name CA )
(resid 130 and name CB )(resid 130 and name CG ) 1 60 45 2
assign (resid 133 and name N )(resid 133 and name CA )
(resid 133 and name CB )(resid 133 and name CG ) 1 60 45 2
assign (resid 134 and name N )(resid 134 and name CA )
(resid 134 and name CB )(resid 134 and name CG ) 1 60 45 2
assign (resid 135 and name N )(resid 135 and name CA )
(resid 135 and name CB )(resid 135 and name CG ) 1 180 45 2
assign (resid 136 and name N )(resid 136 and name CA )
(resid 136 and name CB )(resid 136 and name CG1 ) 1 -60 45 2
assign (resid 137 and name N )(resid 137 and name CA )
(resid 137 and name CB )(resid 137 and name OG1 ) 1 -60 45 2
assign (resid 138 and name N )(resid 138 and name CA )
(resid 138 and name CB )(resid 138 and name CG ) 1 180 45 2
assign (resid 139 and name N )(resid 139 and name CA )
(resid 139 and name CB )(resid 139 and name CG ) 1 60 45 2
assign (resid 142 and name N )(resid 142 and name CA )
(resid 142 and name CB )(resid 142 and name OG1 ) 1 60 45 2
assign (resid 143 and name N )(resid 143 and name CA )
(resid 143 and name CB )(resid 143 and name CG ) 1 60 45 2
assign (resid 144 and name N )(resid 144 and name CA )
(resid 144 and name CB )(resid 144 and name CG ) 1 60 45 2
assign (resid 145 and name N )(resid 145 and name CA )
(resid 145 and name CB )(resid 145 and name CG ) 1 180 45 2
assign (resid 146 and name N )(resid 146 and name CA )
(resid 146 and name CB )(resid 146 and name OG1 ) 1 60 45 2
assign (resid 149 and name N )(resid 149 and name CA )
(resid 149 and name CB )(resid 149 and name CG ) 1 60 45 2
assign (resid 153 and name N )(resid 153 and name CA )
(resid 153 and name CB )(resid 153 and name CG ) 1 180 45 2
assign (resid 154 and name N )(resid 154 and name CA )
(resid 154 and name CB )(resid 154 and name CG1 ) 1 -60 45 2
assign (resid 156 and name N )(resid 156 and name CA )
(resid 156 and name CB )(resid 156 and name CG ) 1 180 45 2
assign (resid 160 and name N )(resid 160 and name CA )
(resid 160 and name CB )(resid 160 and name CG ) 1 -60 45 2
assign (resid 162 and name N )(resid 162 and name CA )
(resid 162 and name CB )(resid 162 and name CG ) 1 -60 45 2
assign (resid 167 and name N )(resid 167 and name CA )
(resid 167 and name CB )(resid 167 and name CG1 ) 1 -60 45 2
assign (resid 168 and name N )(resid 168 and name CA )
(resid 168 and name CB )(resid 168 and name CG2 ) 1 -60 45 2
assign (resid 169 and name N )(resid 169 and name CA )
(resid 169 and name CB )(resid 169 and name CG ) 1 60 45 2
assign (resid 171 and name N )(resid 171 and name CA )
(resid 171 and name CB )(resid 171 and name CG2 ) 1 -60 45 2
assign (resid 173 and name N )(resid 173 and name CA )
(resid 173 and name CB )(resid 173 and name CG1 ) 1 -60 45 2
assign (resid 175 and name N )(resid 175 and name CA )
(resid 175 and name CB )(resid 175 and name CG ) 1 60 45 2
assign (resid 176 and name N )(resid 176 and name CA )
(resid 176 and name CB )(resid 176 and name SG ) 1 180 45 2
assign (resid 177 and name N )(resid 177 and name CA )
(resid 177 and name CB )(resid 177 and name CG1 ) 1 60 45 2
assign (resid 178 and name N )(resid 178 and name CA )
(resid 178 and name CB )(resid 178 and name CG ) 1 -60 45 2
!
! J-coupling restraints
!
! N-terminal strand
assign (resid 7 and name c ) (resid 8 and name n )
(resid 8 and name ca ) (resid 8 and name c ) 4.3 0.5
assign (resid 10 and name c ) (resid 11 and name n )
(resid 11 and name ca ) (resid 11 and name c ) 4.5 0.5
assign (resid 15 and name c ) (resid 16 and name n )
(resid 16 and name ca ) (resid 16 and name c ) 9.1 0.5
assign (resid 16 and name c ) (resid 17 and name n )
(resid 17 and name ca ) (resid 17 and name c ) 8.5 0.5
assign (resid 18 and name c ) (resid 19 and name n )
(resid 19 and name ca ) (resid 19 and name c ) 9.2 0.5
assign (resid 19 and name c ) (resid 20 and name n )
(resid 20 and name ca ) (resid 20 and name c ) 3.8 0.5
assign (resid 20 and name c ) (resid 21 and name n )
(resid 21 and name ca ) (resid 21 and name c ) 3.8 0.5
assign (resid 22 and name c ) (resid 23 and name n )
(resid 23 and name ca ) (resid 23 and name c ) 2.0 0.5
assign (resid 23 and name c ) (resid 24 and name n )
(resid 24 and name ca ) (resid 24 and name c ) 11.0 0.5
assign (resid 28 and name c ) (resid 29 and name n )
(resid 29 and name ca ) (resid 29 and name c ) 3.3 0.5
! omega-loop
assign (resid 37 and name c ) (resid 38 and name n )
(resid 38 and name ca ) (resid 38 and name c ) 8.6 0.5
assign (resid 40 and name c ) (resid 41 and name n )
(resid 41 and name ca ) (resid 41 and name c ) 9.8 0.5
assign (resid 41 and name c ) (resid 42 and name n )
(resid 42 and name ca ) (resid 42 and name c ) 9.1 0.5
assign (resid 42 and name c ) (resid 43 and name n )
(resid 43 and name ca ) (resid 43 and name c ) 9.4 0.5
assign (resid 43 and name c ) (resid 44 and name n )
(resid 44 and name ca ) (resid 44 and name c ) 9.5 0.5
! turn strands 2-3
assign (resid 59 and name c ) (resid 60 and name n )
(resid 60 and name ca ) (resid 60 and name c ) 9.4 0.5
assign (resid 60 and name c ) (resid 61 and name n )
(resid 61 and name ca ) (resid 61 and name c ) 3.3 0.5
assign (resid 61 and name c ) (resid 62 and name n )
(resid 62 and name ca ) (resid 62 and name c ) 8.9 0.5
assign (resid 62 and name c ) (resid 63 and name n )
(resid 63 and name ca ) (resid 63 and name c ) 6.0 0.5
! turn strands 3-4
assign (resid 73 and name c ) (resid 74 and name n )
(resid 74 and name ca ) (resid 74 and name c ) 3.5 1.5 ! J < 5.0
assign (resid 74 and name c ) (resid 75 and name n )
(resid 75 and name ca ) (resid 75 and name c ) 10.0 1.5 ! J < 8.5
! turn strands 4-5
assign (resid 88 and name c ) (resid 89 and name n )
(resid 89 and name ca ) (resid 89 and name c ) 8.3 0.5
! turn strands 5-6
assign (resid 96 and name c ) (resid 97 and name n )
(resid 97 and name ca ) (resid 97 and name c ) 7.5 0.5 ! ??
assign (resid 97 and name c ) (resid 98 and name n )
(resid 98 and name ca ) (resid 98 and name c ) 3.6 0.5
assign (resid 99 and name c ) (resid 100 and name n )
(resid 100 and name ca ) (resid 100 and name c ) 8.0 0.5
assign (resid 100 and name c ) (resid 101 and name n )
(resid 101 and name ca ) (resid 101 and name c ) 9.4 0.5
! turn strands 6-7
assign (resid 114 and name c ) (resid 115 and name n )
(resid 115 and name ca ) (resid 115 and name c ) 11.0 0.5
assign (resid 115 and name c ) (resid 116 and name n )
(resid 116 and name ca ) (resid 116 and name c ) 3.2 0.5
assign (resid 116 and name c ) (resid 117 and name n )
(resid 117 and name ca ) (resid 117 and name c ) 9.0 0.5
! turn strands 7-8
assign (resid 129 and name c ) (resid 130 and name n )
(resid 130 and name ca ) (resid 130 and name c ) 9.7 0.5
! loop strand8 - helix 1
assign (resid 141 and name c ) (resid 142 and name n )
(resid 142 and name ca ) (resid 142 and name c ) 10.5 1.5 ! J > 9
assign (resid 142 and name c ) (resid 143 and name n )
(resid 143 and name ca ) (resid 143 and name c ) 5.8 0.5
assign (resid 143 and name c ) (resid 144 and name n )
(resid 144 and name ca ) (resid 144 and name c ) 9.2 0.5
!end helix1
assign (resid 159 and name c ) (resid 160 and name n )
(resid 160 and name ca ) (resid 160 and name c ) 8.6 0.5
assign (resid 163 and name c ) (resid 164 and name n )
(resid 164 and name ca ) (resid 164 and name c ) 3.5 1.5 ! J < 5
assign (resid 164 and name c ) (resid 165 and name n )
(resid 165 and name ca ) (resid 165 and name c ) 10.0 1.5 ! J > 8.5
assign (resid 165 and name c ) (resid 166 and name n )
(resid 166 and name ca ) (resid 166 and name c ) 9.5 1.5 ! J > 8.0
assign (resid 174 and name c ) (resid 175 and name n )
(resid 175 and name ca ) (resid 175 and name c ) 3.5 1.5 ! J < 5
assign (resid 177 and name c ) (resid 178 and name n )
(resid 178 and name ca ) (resid 178 and name c ) 9.5 0.5 ! J > 8.5
!
! J-coupling restraints (Glycine)
!
assign (resid 30 and name ha1) (resid 30 and name ca )
(resid 30 and name n ) (resid 30 and name hn ) 2.0 1.5 ! J > 3.5
assign (resid 30 and name ha2) (resid 30 and name ca )
(resid 30 and name n ) (resid 30 and name hn ) 8.5 0.5
assign (resid 36 and name ha1) (resid 36 and name ca )
(resid 36 and name n ) (resid 36 and name hn ) 3.7 0.5
assign (resid 36 and name ha2) (resid 36 and name ca )
(resid 36 and name n ) (resid 36 and name hn ) 3.7 0.5
assign (resid 39 and name ha1) (resid 39 and name ca )
(resid 39 and name n ) (resid 39 and name hn ) 2.7 0.5
assign (resid 39 and name ha2) (resid 39 and name ca )
(resid 39 and name n ) (resid 39 and name hn ) 2.7 0.5
assign (resid 87 and name ha1) (resid 87 and name ca )
(resid 87 and name n ) (resid 87 and name hn ) 8.5 0.5
assign (resid 87 and name ha2) (resid 87 and name ca )
(resid 87 and name n ) (resid 87 and name hn ) 2.5 1.5 ! J < 4
assign (resid 91 and name ha1) (resid 91 and name ca )
(resid 91 and name n ) (resid 91 and name hn ) 10.0 1.5 ! > 8.5
assign (resid 91 and name ha2) (resid 91 and name ca )
(resid 91 and name n ) (resid 91 and name hn ) 2.0 1.5 ! < 3.5
assign (resid 96 and name ha2) (resid 96 and name ca )
(resid 96 and name n ) (resid 96 and name hn ) 5.6 0.5
assign (resid 96 and name ha1) (resid 96 and name ca )
(resid 96 and name n ) (resid 96 and name hn ) 4.3 0.5
assign (resid 103 and name ha1) (resid 103 and name ca )
(resid 103 and name n ) (resid 103 and name hn ) 5.6 0.5
assign (resid 103 and name ha2) (resid 103 and name ca )
(resid 103 and name n ) (resid 103 and name hn ) 6.7 0.5
assign (resid 140 and name ha1) (resid 140 and name ca )
(resid 140 and name n ) (resid 140 and name hn ) 2.0 1.5 ! J > 3.5
assign (resid 140 and name ha2) (resid 140 and name ca )
(resid 140 and name n ) (resid 140 and name hn ) 9.5 1.5 ! J > 8.0
assign (resid 161 and name ha1) (resid 161 and name ca )
(resid 161 and name n ) (resid 161 and name hn ) 5.7 0.5
assign (resid 161 and name ha2) (resid 161 and name ca )
(resid 161 and name n ) (resid 161 and name hn ) 8.4 0.5
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