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 |
|
|
7726 |
1kwj   |
5279 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
1 1H ALA 1 H1 ALA 1 -10.567 -6.324 -2.883
2 2H ALA 1 H2 ALA 1 -12.153 -6.609 -2.841
3 3H ALA 1 H3 ALA 1 -11.295 -6.532 -1.464
4 HA ALA 1 HA ALA 1 -10.685 -8.627 -3.426
5 1HB ALA 1 HB1 ALA 1 -12.121 -10.177 -2.141
6 2HB ALA 1 HB2 ALA 1 -12.661 -8.832 -1.113
7 3HB ALA 1 HB3 ALA 1 -13.068 -8.851 -2.844
8 H ASP 2 H ASP 2 -9.752 -10.626 -2.043
9 HA ASP 2 HA ASP 2 -8.186 -9.780 0.260
10 1HB ASP 2 HB2 ASP 2 -8.184 -12.340 -1.387
11 2HB ASP 2 HB3 ASP 2 -7.363 -12.096 0.171
12 H VAL 3 H VAL 3 -5.918 -11.560 -1.267
13 HA VAL 3 HA VAL 3 -4.203 -9.309 -1.535
14 HB VAL 3 HB VAL 3 -3.784 -12.130 -2.588
15 1HG1 VAL 3 HG11 VAL 3 -1.828 -9.883 -1.934
16 2HG1 VAL 3 HG12 VAL 3 -1.369 -11.546 -2.347
17 3HG1 VAL 3 HG13 VAL 3 -2.162 -10.531 -3.556
18 1HG2 VAL 3 HG21 VAL 3 -4.240 -12.167 -0.157
19 2HG2 VAL 3 HG22 VAL 3 -2.528 -12.463 -0.466
20 3HG2 VAL 3 HG23 VAL 3 -3.056 -10.868 0.098
21 H VAL 4 H VAL 4 -4.170 -7.803 -3.096
22 HA VAL 4 HA VAL 4 -4.934 -8.539 -5.918
23 HB VAL 4 HB VAL 4 -5.113 -5.829 -4.557
24 1HG1 VAL 4 HG11 VAL 4 -6.273 -5.151 -6.638
25 2HG1 VAL 4 HG12 VAL 4 -4.607 -5.619 -6.970
26 3HG1 VAL 4 HG13 VAL 4 -5.931 -6.739 -7.352
27 1HG2 VAL 4 HG21 VAL 4 -7.260 -7.833 -5.371
28 2HG2 VAL 4 HG22 VAL 4 -6.903 -7.219 -3.742
29 3HG2 VAL 4 HG23 VAL 4 -7.578 -6.135 -4.949
30 H THR 5 H THR 5 -3.312 -8.556 -7.367
31 HA THR 5 HA THR 5 -0.732 -7.196 -6.696
32 HB THR 5 HB THR 5 -1.442 -9.773 -8.042
33 HG1 THR 5 HG1 THR 5 0.798 -9.137 -6.473
34 1HG2 THR 5 HG21 THR 5 0.024 -8.799 -9.711
35 2HG2 THR 5 HG22 THR 5 1.163 -8.270 -8.437
36 3HG2 THR 5 HG23 THR 5 0.914 -9.994 -8.775
37 H TYR 6 H TYR 6 -0.456 -5.310 -7.585
38 HA TYR 6 HA TYR 6 -1.707 -4.494 -10.093
39 1HB TYR 6 HB2 TYR 6 -0.181 -3.219 -7.874
40 2HB TYR 6 HB3 TYR 6 0.004 -2.492 -9.452
41 HD1 TYR 6 HD1 TYR 6 -3.045 -4.103 -7.939
42 HD2 TYR 6 HD2 TYR 6 -1.184 -0.484 -9.337
43 HE1 TYR 6 HE1 TYR 6 -5.032 -2.772 -7.194
44 HE2 TYR 6 HE2 TYR 6 -3.219 0.799 -8.749
45 HH TYR 6 HH TYR 6 -6.144 -0.680 -7.409
46 H GLU 7 H GLU 7 -0.855 -5.693 -11.752
47 HA GLU 7 HA GLU 7 1.981 -5.931 -12.157
48 1HB GLU 7 HB2 GLU 7 -0.306 -6.755 -13.953
49 2HB GLU 7 HB3 GLU 7 1.383 -7.309 -14.011
50 1HG GLU 7 HG2 GLU 7 0.887 -7.730 -11.414
51 2HG GLU 7 HG3 GLU 7 -0.785 -7.866 -11.945
52 H ASN 8 H ASN 8 2.778 -3.947 -12.188
53 HA ASN 8 HA ASN 8 2.342 -2.188 -14.564
54 1HB ASN 8 HB2 ASN 8 3.402 -0.475 -13.220
55 2HB ASN 8 HB3 ASN 8 2.090 -1.180 -12.311
56 1HD2 ASN 8 HD21 ASN 8 2.690 -2.818 -10.528
57 2HD2 ASN 8 HD22 ASN 8 4.365 -2.811 -9.974
58 H ALA 9 H ALA 9 4.457 -1.051 -15.230
59 HA ALA 9 HA ALA 9 6.095 -3.130 -16.360
60 1HB ALA 9 HB1 ALA 9 5.562 -0.959 -17.437
61 2HB ALA 9 HB2 ALA 9 6.596 -0.141 -16.240
62 3HB ALA 9 HB3 ALA 9 7.311 -1.299 -17.383
63 H ALA 10 H ALA 10 6.468 -1.259 -13.388
64 HA ALA 10 HA ALA 10 9.412 -1.623 -13.379
65 1HB ALA 10 HB1 ALA 10 9.360 -0.021 -11.558
66 2HB ALA 10 HB2 ALA 10 8.388 0.560 -12.924
67 3HB ALA 10 HB3 ALA 10 7.586 -0.108 -11.485
68 H GLY 11 H GLY 11 7.262 -3.838 -12.744
69 1HA GLY 11 HA2 GLY 11 7.910 -5.841 -11.315
70 2HA GLY 11 HA3 GLY 11 8.464 -4.714 -10.116
71 H ASN 12 H ASN 12 6.083 -6.802 -10.475
72 HA ASN 12 HA ASN 12 3.811 -5.082 -9.832
73 1HB ASN 12 HB2 ASN 12 2.498 -7.008 -9.547
74 2HB ASN 12 HB3 ASN 12 3.392 -7.115 -11.052
75 1HD2 ASN 12 HD21 ASN 12 2.713 -9.550 -10.849
76 2HD2 ASN 12 HD22 ASN 12 3.892 -10.487 -9.952
77 H VAL 13 H VAL 13 2.641 -5.329 -7.791
78 HA VAL 13 HA VAL 13 4.677 -4.834 -5.668
79 HB VAL 13 HB VAL 13 4.257 -2.864 -6.808
80 1HG1 VAL 13 HG11 VAL 13 1.304 -3.331 -6.318
81 2HG1 VAL 13 HG12 VAL 13 2.013 -1.867 -7.049
82 3HG1 VAL 13 HG13 VAL 13 2.123 -3.389 -7.906
83 1HG2 VAL 13 HG21 VAL 13 4.281 -2.821 -4.255
84 2HG2 VAL 13 HG22 VAL 13 3.543 -1.420 -5.055
85 3HG2 VAL 13 HG23 VAL 13 2.512 -2.670 -4.336
86 H THR 14 H THR 14 1.461 -6.158 -6.063
87 HA THR 14 HA THR 14 0.161 -7.295 -4.609
88 HB THR 14 HB THR 14 2.886 -7.765 -3.421
89 HG1 THR 14 HG1 THR 14 1.127 -9.510 -4.768
90 1HG2 THR 14 HG21 THR 14 1.374 -8.277 -1.596
91 2HG2 THR 14 HG22 THR 14 0.229 -9.074 -2.697
92 3HG2 THR 14 HG23 THR 14 1.825 -9.789 -2.380
93 H PHE 15 H PHE 15 -1.256 -5.880 -3.976
94 HA PHE 15 HA PHE 15 -1.100 -4.447 -1.381
95 1HB PHE 15 HB2 PHE 15 -3.346 -4.970 -3.376
96 2HB PHE 15 HB3 PHE 15 -3.528 -4.036 -1.909
97 HD1 PHE 15 HD1 PHE 15 -0.401 -3.340 -3.759
98 HD2 PHE 15 HD2 PHE 15 -4.629 -2.491 -3.504
99 HE1 PHE 15 HE1 PHE 15 -0.160 -1.559 -5.424
100 HE2 PHE 15 HE2 PHE 15 -4.331 -0.606 -5.073
101 HZ PHE 15 HZ PHE 15 -2.100 -0.154 -6.057
102 H ASP 16 H ASP 16 -0.924 -6.112 0.317
103 HA ASP 16 HA ASP 16 -2.584 -8.500 0.069
104 1HB ASP 16 HB2 ASP 16 -1.255 -7.860 2.651
105 2HB ASP 16 HB3 ASP 16 -1.390 -9.380 1.757
106 H HIS 17 HN HIS 17 -4.454 -7.078 -0.268
107 HA HIS 17 HA HIS 17 -5.575 -5.242 1.419
108 1HB HIS 17 HB2 HIS 17 -6.293 -6.473 -0.858
109 2HB HIS 17 HB3 HIS 17 -7.363 -7.361 0.236
110 HD1 HIS 17 HND HIS 17 -8.195 -5.295 -2.118
111 HD2 HIS 17 HD HIS 17 -7.810 -4.477 1.961
112 HE1 HIS 17 HE HIS 17 -9.421 -3.142 -1.738
113 H LYS 18 H LYS 18 -5.875 -8.727 1.555
114 HA LYS 18 HA LYS 18 -7.133 -8.922 4.136
115 1HB LYS 18 HB2 LYS 18 -7.088 -10.670 2.301
116 2HB LYS 18 HB3 LYS 18 -5.421 -11.044 2.757
117 1HG LYS 18 HG2 LYS 18 -6.217 -11.433 5.135
118 2HG LYS 18 HG3 LYS 18 -7.853 -11.057 4.567
119 1HD LYS 18 HD2 LYS 18 -7.646 -13.027 2.968
120 2HD LYS 18 HD3 LYS 18 -6.069 -13.386 3.667
121 1HE LYS 18 HE2 LYS 18 -8.010 -14.766 4.561
122 2HE LYS 18 HE3 LYS 18 -7.016 -13.968 5.797
123 1HZ LYS 18 HZ1 LYS 18 -9.465 -12.715 4.788
124 2HZ LYS 18 HZ2 LYS 18 -9.475 -13.743 6.090
125 3HZ LYS 18 HZ3 LYS 18 -8.579 -12.376 6.158
126 H ALA 19 H ALA 19 -3.694 -9.878 3.313
127 HA ALA 19 HA ALA 19 -3.126 -10.418 5.972
128 1HB ALA 19 HB1 ALA 19 -0.982 -9.558 4.029
129 2HB ALA 19 HB2 ALA 19 -0.880 -10.724 5.344
130 3HB ALA 19 HB3 ALA 19 -1.820 -11.128 3.891
131 H HIS 20 HN HIS 20 -2.591 -7.325 4.264
132 HA HIS 20 HA HIS 20 -1.276 -5.989 6.443
133 1HB HIS 20 HB2 HIS 20 -2.830 -5.055 4.019
134 2HB HIS 20 HB3 HIS 20 -2.499 -3.958 5.330
135 HD1 HIS 20 HND HIS 20 -0.288 -6.163 2.916
136 HD2 HIS 20 HD HIS 20 -0.375 -2.556 5.114
137 HE1 HIS 20 HE HIS 20 1.764 -4.972 2.358
138 H ALA 21 H ALA 21 -4.774 -6.330 5.560
139 HA ALA 21 HA ALA 21 -5.797 -4.826 7.768
140 1HB ALA 21 HB1 ALA 21 -7.907 -5.863 7.263
141 2HB ALA 21 HB2 ALA 21 -7.100 -5.369 5.752
142 3HB ALA 21 HB3 ALA 21 -7.151 -7.075 6.226
143 H GLU 22 H GLU 22 -5.035 -8.334 7.466
144 HA GLU 22 HA GLU 22 -6.175 -9.193 9.889
145 1HB GLU 22 HB2 GLU 22 -3.597 -10.164 8.637
146 2HB GLU 22 HB3 GLU 22 -4.559 -11.035 9.834
147 1HG GLU 22 HG2 GLU 22 -5.607 -10.289 7.067
148 2HG GLU 22 HG3 GLU 22 -4.828 -11.820 7.444
149 H LYS 23 H LYS 23 -3.244 -7.273 9.431
150 HA LYS 23 HA LYS 23 -2.719 -7.152 12.371
151 1HB LYS 23 HB2 LYS 23 -1.269 -6.288 9.871
152 2HB LYS 23 HB3 LYS 23 -1.002 -5.383 11.363
153 1HG LYS 23 HG2 LYS 23 -0.285 -7.345 12.556
154 2HG LYS 23 HG3 LYS 23 -0.677 -8.395 11.177
155 1HD LYS 23 HD2 LYS 23 1.046 -7.387 9.812
156 2HD LYS 23 HD3 LYS 23 1.343 -6.095 10.986
157 1HE LYS 23 HE2 LYS 23 2.279 -7.623 12.605
158 2HE LYS 23 HE3 LYS 23 1.763 -9.035 11.664
159 1HZ LYS 23 HZ1 LYS 23 4.140 -8.558 11.314
160 2HZ LYS 23 HZ2 LYS 23 3.908 -7.102 10.818
161 3HZ LYS 23 HZ3 LYS 23 3.337 -8.300 9.912
162 H LEU 24 H LEU 24 -3.608 -5.004 9.685
163 HA LEU 24 HA LEU 24 -3.704 -2.652 11.421
164 1HB LEU 24 HB2 LEU 24 -4.028 -2.991 8.429
165 2HB LEU 24 HB3 LEU 24 -3.744 -1.492 9.308
166 HG LEU 24 HG LEU 24 -1.727 -3.749 9.161
167 1HD1 LEU 24 HD11 LEU 24 -2.132 -2.561 7.021
168 2HD1 LEU 24 HD12 LEU 24 -1.847 -1.016 7.826
169 3HD1 LEU 24 HD13 LEU 24 -0.527 -2.203 7.683
170 1HD2 LEU 24 HD21 LEU 24 -1.450 -2.507 11.251
171 2HD2 LEU 24 HD22 LEU 24 -0.195 -2.023 10.106
172 3HD2 LEU 24 HD23 LEU 24 -1.588 -0.958 10.384
173 H GLY 25 H GLY 25 -6.182 -4.757 10.388
174 1HA GLY 25 HA2 GLY 25 -8.434 -4.669 10.671
175 2HA GLY 25 HA3 GLY 25 -8.087 -3.442 11.886
176 H CYS 26 HN CYS 26 -7.845 -3.335 8.369
177 HA CYS 26 HA CYS 26 -8.713 -2.076 6.705
178 1HB CYS 26 HB2 CYS 26 -11.163 -1.776 8.397
179 2HB CYS 26 HB3 CYS 26 -11.027 -1.613 6.635
180 H ASP 27 H ASP 27 -9.841 -0.420 9.671
181 HA ASP 27 HA ASP 27 -10.233 2.112 8.852
182 1HB ASP 27 HB2 ASP 27 -9.013 1.070 11.445
183 2HB ASP 27 HB3 ASP 27 -9.611 2.721 11.221
184 H ALA 28 H ALA 28 -7.164 0.693 9.791
185 HA ALA 28 HA ALA 28 -5.294 2.706 9.683
186 1HB ALA 28 HB1 ALA 28 -3.779 0.872 8.842
187 2HB ALA 28 HB2 ALA 28 -4.815 0.389 10.201
188 3HB ALA 28 HB3 ALA 28 -5.251 -0.100 8.543
189 H CYS 29 HN CYS 29 -6.973 1.358 6.848
190 HA CYS 29 HA CYS 29 -5.395 3.140 4.998
191 1HB CYS 29 HB2 CYS 29 -6.794 0.495 4.564
192 2HB CYS 29 HB3 CYS 29 -6.122 1.526 3.289
193 H HIS 30 HN HIS 30 -8.296 3.106 6.622
194 HA HIS 30 HA HIS 30 -9.903 4.272 4.418
195 1HB HIS 30 HB2 HIS 30 -10.337 1.584 5.784
196 2HB HIS 30 HB3 HIS 30 -11.629 2.424 4.960
197 HD1 HIS 30 HND HIS 30 -10.105 3.209 2.289
198 HD2 HIS 30 HD HIS 30 -9.933 -0.449 4.266
199 HE1 HIS 30 HE HIS 30 -9.770 1.410 0.465
200 H GLU 31 H GLU 31 -10.291 6.153 5.486
201 HA GLU 31 HA GLU 31 -10.890 6.258 8.203
202 1HB GLU 31 HB2 GLU 31 -11.472 8.257 5.985
203 2HB GLU 31 HB3 GLU 31 -11.591 8.601 7.717
204 1HG GLU 31 HG2 GLU 31 -9.189 7.995 8.014
205 2HG GLU 31 HG3 GLU 31 -9.037 7.733 6.269
206 H GLY 32 H GLY 32 -12.458 4.557 8.455
207 1HA GLY 32 HA2 GLY 32 -14.554 4.132 9.390
208 2HA GLY 32 HA3 GLY 32 -15.159 5.683 8.798
209 H THR 33 H THR 33 -15.069 5.677 6.194
210 HA THR 33 HA THR 33 -16.826 3.418 5.362
211 HB THR 33 HB THR 33 -16.317 6.069 3.985
212 HG1 THR 33 HG1 THR 33 -18.354 5.146 5.731
213 1HG2 THR 33 HG21 THR 33 -17.164 4.317 2.434
214 2HG2 THR 33 HG22 THR 33 -18.447 3.903 3.594
215 3HG2 THR 33 HG23 THR 33 -18.432 5.494 2.812
216 HA PRO 34 HA PRO 34 -13.023 2.177 3.111
217 1HB PRO 34 HB2 PRO 34 -13.595 -0.405 2.623
218 2HB PRO 34 HB3 PRO 34 -13.138 0.149 4.260
219 1HG PRO 34 HG2 PRO 34 -15.941 -0.299 3.172
220 2HG PRO 34 HG3 PRO 34 -15.257 -0.912 4.705
221 1HD PRO 34 HD2 PRO 34 -16.755 1.349 4.599
222 2HD PRO 34 HD3 PRO 34 -15.349 1.212 5.700
223 H ALA 35 H ALA 35 -12.651 2.425 0.963
224 HA ALA 35 HA ALA 35 -14.573 1.676 -1.088
225 1HB ALA 35 HB1 ALA 35 -14.005 4.625 -0.525
226 2HB ALA 35 HB2 ALA 35 -14.908 3.993 -1.919
227 3HB ALA 35 HB3 ALA 35 -15.561 3.808 -0.284
228 H LYS 36 H LYS 36 -13.707 2.476 -3.294
229 HA LYS 36 HA LYS 36 -10.964 1.616 -3.376
230 1HB LYS 36 HB2 LYS 36 -11.118 1.791 -5.780
231 2HB LYS 36 HB3 LYS 36 -12.327 0.746 -5.036
232 1HG LYS 36 HG2 LYS 36 -14.094 2.364 -5.412
233 2HG LYS 36 HG3 LYS 36 -12.937 3.601 -5.940
234 1HD LYS 36 HD2 LYS 36 -12.222 2.170 -7.817
235 2HD LYS 36 HD3 LYS 36 -13.369 0.916 -7.314
236 1HE LYS 36 HE2 LYS 36 -15.264 2.494 -7.673
237 2HE LYS 36 HE3 LYS 36 -14.126 3.776 -8.122
238 1HZ LYS 36 HZ1 LYS 36 -15.056 2.692 -10.061
239 2HZ LYS 36 HZ2 LYS 36 -13.433 2.432 -9.991
240 3HZ LYS 36 HZ3 LYS 36 -14.474 1.230 -9.577
241 H ILE 37 H ILE 37 -9.605 3.002 -2.447
242 HA ILE 37 HA ILE 37 -9.305 5.795 -3.168
243 HB ILE 37 HB ILE 37 -7.356 3.795 -1.954
244 1HG1 ILE 37 HG12 ILE 37 -8.935 6.002 -0.562
245 2HG1 ILE 37 HG13 ILE 37 -9.533 4.343 -0.682
246 1HG2 ILE 37 HG21 ILE 37 -6.091 5.831 -1.213
247 2HG2 ILE 37 HG22 ILE 37 -6.128 5.691 -2.963
248 3HG2 ILE 37 HG23 ILE 37 -7.206 6.842 -2.149
249 1HD1 ILE 37 HD11 ILE 37 -6.950 5.129 0.707
250 2HD1 ILE 37 HD12 ILE 37 -8.484 4.670 1.451
251 3HD1 ILE 37 HD13 ILE 37 -7.576 3.476 0.502
252 H ALA 38 H ALA 38 -8.327 6.647 -5.007
253 HA ALA 38 HA ALA 38 -7.406 4.824 -7.065
254 1HB ALA 38 HB1 ALA 38 -8.567 6.859 -7.665
255 2HB ALA 38 HB2 ALA 38 -7.238 7.841 -6.983
256 3HB ALA 38 HB3 ALA 38 -6.932 6.751 -8.363
257 H ILE 39 H ILE 39 -5.699 3.740 -6.708
258 HA ILE 39 HA ILE 39 -3.187 4.975 -5.740
259 HB ILE 39 HB ILE 39 -3.804 2.067 -6.328
260 1HG1 ILE 39 HG12 ILE 39 -5.167 2.866 -4.445
261 2HG1 ILE 39 HG13 ILE 39 -3.918 1.752 -3.951
262 1HG2 ILE 39 HG21 ILE 39 -1.451 2.428 -6.511
263 2HG2 ILE 39 HG22 ILE 39 -1.438 3.535 -5.122
264 3HG2 ILE 39 HG23 ILE 39 -1.700 1.803 -4.867
265 1HD1 ILE 39 HD11 ILE 39 -3.801 4.788 -3.608
266 2HD1 ILE 39 HD12 ILE 39 -4.142 3.606 -2.345
267 3HD1 ILE 39 HD13 ILE 39 -2.540 3.643 -3.089
268 H ASP 40 H ASP 40 -1.468 5.334 -6.931
269 HA ASP 40 HA ASP 40 -1.034 4.384 -9.641
270 1HB ASP 40 HB2 ASP 40 -2.695 6.185 -9.988
271 2HB ASP 40 HB3 ASP 40 -1.717 7.266 -8.959
272 H LYS 41 H LYS 41 0.906 5.420 -10.360
273 HA LYS 41 HA LYS 41 3.111 5.534 -8.519
274 1HB LYS 41 HB2 LYS 41 4.455 6.270 -10.473
275 2HB LYS 41 HB3 LYS 41 3.478 4.821 -10.696
276 1HG LYS 41 HG2 LYS 41 1.736 6.385 -11.875
277 2HG LYS 41 HG3 LYS 41 3.051 7.568 -11.930
278 1HD LYS 41 HD2 LYS 41 4.480 5.865 -13.076
279 2HD LYS 41 HD3 LYS 41 3.168 4.668 -12.874
280 1HE LYS 41 HE2 LYS 41 1.688 5.937 -14.317
281 2HE LYS 41 HE3 LYS 41 2.972 7.121 -14.633
282 1HZ LYS 41 HZ1 LYS 41 4.283 5.348 -15.619
283 2HZ LYS 41 HZ2 LYS 41 3.277 4.195 -15.196
284 3HZ LYS 41 HZ3 LYS 41 2.799 5.285 -16.325
285 H LYS 42 H LYS 42 0.794 7.964 -9.171
286 HA LYS 42 HA LYS 42 2.380 10.146 -8.035
287 1HB LYS 42 HB2 LYS 42 0.446 10.204 -9.733
288 2HB LYS 42 HB3 LYS 42 -0.643 9.838 -8.399
289 1HG LYS 42 HG2 LYS 42 0.119 11.988 -7.310
290 2HG LYS 42 HG3 LYS 42 1.156 12.277 -8.723
291 1HD LYS 42 HD2 LYS 42 -1.470 11.562 -9.701
292 2HD LYS 42 HD3 LYS 42 -1.715 12.751 -8.423
293 1HE LYS 42 HE2 LYS 42 -0.221 14.341 -9.580
294 2HE LYS 42 HE3 LYS 42 0.205 13.110 -10.784
295 1HZ LYS 42 HZ1 LYS 42 -2.069 13.087 -11.520
296 2HZ LYS 42 HZ2 LYS 42 -2.507 14.207 -10.401
297 3HZ LYS 42 HZ3 LYS 42 -1.477 14.615 -11.616
298 H SER 43 H SER 43 -0.627 8.393 -6.939
299 HA SER 43 HA SER 43 -0.497 9.319 -4.402
300 1HB SER 43 HB2 SER 43 -1.713 6.606 -4.995
301 2HB SER 43 HB3 SER 43 -2.332 7.891 -3.950
302 HG SER 43 HG SER 43 -3.435 7.736 -6.002
303 H ALA 44 H ALA 44 0.577 6.145 -5.532
304 HA ALA 44 HA ALA 44 1.218 4.911 -3.066
305 1HB ALA 44 HB1 ALA 44 0.818 3.702 -5.185
306 2HB ALA 44 HB2 ALA 44 2.307 4.395 -5.867
307 3HB ALA 44 HB3 ALA 44 2.401 3.306 -4.474
308 H HIS 45 HN HIS 45 3.046 7.194 -4.959
309 HA HIS 45 HA HIS 45 5.572 6.567 -3.503
310 1HB HIS 45 HB2 HIS 45 5.025 8.294 -5.917
311 2HB HIS 45 HB3 HIS 45 6.610 8.003 -5.208
312 HD1 HIS 45 HND HIS 45 5.471 7.216 -8.163
313 HD2 HIS 45 HD HIS 45 6.189 4.685 -4.892
314 HE1 HIS 45 HE HIS 45 6.069 4.965 -9.134
315 H LYS 46 H LYS 46 2.958 8.878 -3.578
316 HA LYS 46 HA LYS 46 4.588 11.085 -2.537
317 1HB LYS 46 HB2 LYS 46 2.560 11.256 -4.070
318 2HB LYS 46 HB3 LYS 46 1.545 10.921 -2.677
319 1HG LYS 46 HG2 LYS 46 2.531 12.885 -1.501
320 2HG LYS 46 HG3 LYS 46 3.575 13.192 -2.907
321 1HD LYS 46 HD2 LYS 46 1.577 13.446 -4.356
322 2HD LYS 46 HD3 LYS 46 0.511 13.218 -2.968
323 1HE LYS 46 HE2 LYS 46 2.598 15.450 -3.248
324 2HE LYS 46 HE3 LYS 46 0.890 15.631 -3.659
325 1HZ LYS 46 HZ1 LYS 46 0.327 15.148 -1.370
326 2HZ LYS 46 HZ2 LYS 46 1.905 14.963 -0.965
327 3HZ LYS 46 HZ3 LYS 46 1.348 16.433 -1.441
328 H ASP 47 H ASP 47 1.852 9.170 -1.384
329 HA ASP 47 HA ASP 47 2.609 9.664 1.462
330 1HB ASP 47 HB2 ASP 47 1.252 11.566 0.290
331 2HB ASP 47 HB3 ASP 47 -0.135 10.477 0.401
332 H ALA 48 H ALA 48 -0.108 8.387 -0.515
333 HA ALA 48 HA ALA 48 -0.996 6.401 1.284
334 1HB ALA 48 HB1 ALA 48 -2.249 7.096 -0.717
335 2HB ALA 48 HB2 ALA 48 -1.012 6.357 -1.761
336 3HB ALA 48 HB3 ALA 48 -2.003 5.338 -0.697
337 H CYS 49 HN CYS 49 -0.328 4.386 1.770
338 HA CYS 49 HA CYS 49 1.065 2.663 2.176
339 1HB CYS 49 HB2 CYS 49 2.508 3.099 -0.409
340 2HB CYS 49 HB3 CYS 49 2.356 1.604 0.482
341 H LYS 50 H LYS 50 3.044 5.067 0.446
342 HA LYS 50 HA LYS 50 5.486 4.728 1.642
343 1HB LYS 50 HB2 LYS 50 4.009 7.201 0.706
344 2HB LYS 50 HB3 LYS 50 5.673 7.289 1.256
345 1HG LYS 50 HG2 LYS 50 5.243 5.087 -0.690
346 2HG LYS 50 HG3 LYS 50 4.763 6.670 -1.277
347 1HD LYS 50 HD2 LYS 50 7.070 6.251 -1.896
348 2HD LYS 50 HD3 LYS 50 6.967 7.614 -0.773
349 1HE LYS 50 HE2 LYS 50 7.716 6.151 1.084
350 2HE LYS 50 HE3 LYS 50 7.711 4.749 0.004
351 1HZ LYS 50 HZ1 LYS 50 9.925 5.729 0.266
352 2HZ LYS 50 HZ2 LYS 50 9.425 5.801 -1.299
353 3HZ LYS 50 HZ3 LYS 50 9.393 7.150 -0.373
354 H THR 51 H THR 51 3.105 7.166 2.921
355 HA THR 51 HA THR 51 4.828 7.947 4.998
356 HB THR 51 HB THR 51 1.811 8.172 4.787
357 HG1 THR 51 HG1 THR 51 2.304 9.974 3.762
358 1HG2 THR 51 HG21 THR 51 3.797 9.621 6.610
359 2HG2 THR 51 HG22 THR 51 2.115 10.114 6.334
360 3HG2 THR 51 HG23 THR 51 2.458 8.578 7.146
361 H CYS 52 HN CYS 52 2.363 5.371 5.065
362 HA CYS 52 HA CYS 52 2.644 4.770 7.888
363 1HB CYS 52 HB2 CYS 52 0.762 4.028 6.523
364 2HB CYS 52 HB3 CYS 52 1.848 2.958 5.607
365 H HIS 53 HN HIS 53 4.112 3.301 4.942
366 HA HIS 53 HA HIS 53 5.920 1.563 6.249
367 1HB HIS 53 HB2 HIS 53 5.895 3.025 3.601
368 2HB HIS 53 HB3 HIS 53 7.282 2.050 4.068
369 HD1 HIS 53 HND HIS 53 6.636 0.489 1.958
370 HD2 HIS 53 HD HIS 53 3.843 0.642 5.082
371 HE1 HIS 53 HE HIS 53 5.004 -1.425 1.578
372 H LYS 54 H LYS 54 6.536 4.964 5.311
373 HA LYS 54 HA LYS 54 9.134 5.490 6.327
374 1HB LYS 54 HB2 LYS 54 6.743 7.257 6.213
375 2HB LYS 54 HB3 LYS 54 8.407 7.685 6.648
376 1HG LYS 54 HG2 LYS 54 9.147 6.691 4.424
377 2HG LYS 54 HG3 LYS 54 7.433 6.729 3.962
378 1HD LYS 54 HD2 LYS 54 7.530 9.131 5.064
379 2HD LYS 54 HD3 LYS 54 9.279 8.917 4.867
380 1HE LYS 54 HE2 LYS 54 9.023 8.910 2.418
381 2HE LYS 54 HE3 LYS 54 7.272 8.644 2.552
382 1HZ LYS 54 HZ1 LYS 54 7.727 10.921 1.987
383 2HZ LYS 54 HZ2 LYS 54 7.017 10.829 3.459
384 3HZ LYS 54 HZ3 LYS 54 8.630 11.131 3.348
385 H SER 55 H SER 55 5.922 5.657 7.973
386 HA SER 55 HA SER 55 6.937 6.631 10.455
387 1HB SER 55 HB2 SER 55 4.579 6.849 9.659
388 2HB SER 55 HB3 SER 55 4.351 5.113 9.950
389 HG SER 55 HG SER 55 5.199 5.687 12.171
390 H ASN 56 H ASN 56 7.277 3.438 9.180
391 HA ASN 56 HA ASN 56 7.996 2.418 11.883
392 1HB ASN 56 HB2 ASN 56 6.599 0.839 9.675
393 2HB ASN 56 HB3 ASN 56 7.086 0.227 11.262
394 1HD2 ASN 56 HD21 ASN 56 5.986 2.926 12.506
395 2HD2 ASN 56 HD22 ASN 56 4.284 2.487 12.603
396 H ASN 57 H ASN 57 9.096 0.097 11.113
397 HA ASN 57 HA ASN 57 11.486 0.892 9.563
398 1HB ASN 57 HB2 ASN 57 10.775 -1.790 10.810
399 2HB ASN 57 HB3 ASN 57 12.353 -1.278 10.190
400 1HD2 ASN 57 HD21 ASN 57 10.173 -1.168 12.936
401 2HD2 ASN 57 HD22 ASN 57 11.219 -0.154 13.921
402 H GLY 58 H GLY 58 9.476 1.261 7.834
403 1HA GLY 58 HA2 GLY 58 8.547 -1.098 6.493
404 2HA GLY 58 HA3 GLY 58 8.457 0.559 5.880
405 HA PRO 59 HA PRO 59 11.804 -1.847 3.520
406 1HB PRO 59 HB2 PRO 59 10.504 -2.805 1.353
407 2HB PRO 59 HB3 PRO 59 10.468 -3.648 2.916
408 1HG PRO 59 HG2 PRO 59 8.382 -1.730 1.833
409 2HG PRO 59 HG3 PRO 59 8.124 -3.392 2.440
410 1HD PRO 59 HD2 PRO 59 7.776 -1.232 4.068
411 2HD PRO 59 HD3 PRO 59 8.524 -2.733 4.684
412 H THR 60 H THR 60 12.030 0.577 3.752
413 HA THR 60 HA THR 60 11.101 2.416 1.818
414 HB THR 60 HB THR 60 13.518 2.531 3.665
415 HG1 THR 60 HG1 THR 60 12.055 3.114 5.164
416 1HG2 THR 60 HG21 THR 60 11.835 4.777 2.450
417 2HG2 THR 60 HG22 THR 60 13.031 4.976 3.745
418 3HG2 THR 60 HG23 THR 60 13.564 4.490 2.135
419 H LYS 61 H LYS 61 11.649 0.785 -0.019
420 HA LYS 61 HA LYS 61 13.900 1.857 -1.570
421 1HB LYS 61 HB2 LYS 61 14.752 0.034 0.054
422 2HB LYS 61 HB3 LYS 61 13.789 -1.112 -0.882
423 1HG LYS 61 HG2 LYS 61 15.167 -0.654 -2.876
424 2HG LYS 61 HG3 LYS 61 16.009 0.656 -2.009
425 1HD LYS 61 HD2 LYS 61 16.778 -0.983 -0.296
426 2HD LYS 61 HD3 LYS 61 15.989 -2.292 -1.196
427 1HE LYS 61 HE2 LYS 61 17.481 -1.868 -3.136
428 2HE LYS 61 HE3 LYS 61 18.218 -0.497 -2.289
429 1HZ LYS 61 HZ1 LYS 61 18.328 -3.307 -1.381
430 2HZ LYS 61 HZ2 LYS 61 19.006 -2.028 -0.606
431 3HZ LYS 61 HZ3 LYS 61 19.563 -2.480 -2.084
432 H CYS 62 HN CYS 62 13.600 1.400 -3.831
433 HA CYS 62 HA CYS 62 10.976 1.044 -4.746
434 1HB CYS 62 HB2 CYS 62 13.417 0.299 -6.359
435 2HB CYS 62 HB3 CYS 62 11.869 0.910 -6.945
436 H GLY 63 H GLY 63 13.569 -1.379 -4.975
437 1HA GLY 63 HA2 GLY 63 11.978 -3.618 -5.625
438 2HA GLY 63 HA3 GLY 63 13.576 -3.667 -4.883
439 H GLY 64 H GLY 64 12.025 -1.894 -2.647
440 1HA GLY 64 HA2 GLY 64 11.480 -4.045 -0.782
441 2HA GLY 64 HA3 GLY 64 11.266 -2.292 -0.596
442 H CYS 65 HN CYS 65 9.660 -2.092 -3.110
443 HA CYS 65 HA CYS 65 7.074 -3.370 -2.208
444 1HB CYS 65 HB2 CYS 65 7.663 -0.848 -3.744
445 2HB CYS 65 HB3 CYS 65 6.076 -1.621 -3.700
446 H HIS 66 HN HIS 66 9.018 -2.528 -5.103
447 HA HIS 66 HA HIS 66 7.265 -4.101 -6.865
448 1HB HIS 66 HB2 HIS 66 9.827 -2.505 -7.290
449 2HB HIS 66 HB3 HIS 66 8.871 -3.240 -8.535
450 HD1 HIS 66 HND HIS 66 6.553 -2.282 -9.114
451 HD2 HIS 66 HD HIS 66 8.833 -0.088 -6.375
452 HE1 HIS 66 HE HIS 66 5.531 0.038 -9.039
453 H ILE 67 H ILE 67 7.518 -6.271 -7.279
454 HA ILE 67 HA ILE 67 9.857 -7.790 -6.601
455 HB ILE 67 HB ILE 67 7.856 -8.333 -8.825
456 1HG1 ILE 67 HG12 ILE 67 6.622 -8.097 -6.788
457 2HG1 ILE 67 HG13 ILE 67 6.690 -9.786 -7.255
458 1HG2 ILE 67 HG21 ILE 67 9.825 -10.162 -7.389
459 2HG2 ILE 67 HG22 ILE 67 8.510 -10.725 -8.440
460 3HG2 ILE 67 HG23 ILE 67 9.808 -9.736 -9.109
461 1HD1 ILE 67 HD11 ILE 67 8.451 -10.192 -5.527
462 2HD1 ILE 67 HD12 ILE 67 8.334 -8.483 -5.035
463 3HD1 ILE 67 HD13 ILE 67 6.946 -9.560 -4.842
464 H LYS 68 H LYS 68 11.875 -7.890 -7.514
465 HA LYS 68 HA LYS 68 12.298 -7.469 -10.341
466 1HB LYS 68 HB2 LYS 68 13.888 -5.635 -10.109
467 2HB LYS 68 HB3 LYS 68 12.267 -5.149 -9.625
468 1HG LYS 68 HG2 LYS 68 12.984 -4.517 -7.658
469 2HG LYS 68 HG3 LYS 68 13.488 -6.144 -7.257
470 1HD LYS 68 HD2 LYS 68 15.286 -4.169 -8.777
471 2HD LYS 68 HD3 LYS 68 15.209 -4.280 -7.024
472 1HE LYS 68 HE2 LYS 68 17.062 -5.585 -7.470
473 2HE LYS 68 HE3 LYS 68 15.780 -6.776 -7.227
474 1HZ LYS 68 HZ1 LYS 68 17.104 -7.320 -9.130
475 2HZ LYS 68 HZ2 LYS 68 15.620 -6.987 -9.625
476 3HZ LYS 68 HZ3 LYS 68 16.801 -5.868 -9.864
477 HHA HEC 130 HCM HEM 30 -10.543 -0.606 -2.915
478 HHB HEC 130 HDM HEM 30 -13.426 -2.877 2.168
479 HHC HEC 130 HAM HEM 30 -7.823 -3.468 4.897
480 HHD HEC 130 HBM HEM 30 -5.442 0.133 0.497
481 1HMA HEC 130 HM81 HEM 30 -15.227 -1.665 -0.929
482 2HMA HEC 130 HM82 HEM 30 -14.931 -3.128 0.032
483 3HMA HEC 130 HM83 HEM 30 -15.019 -1.526 0.818
484 1HAA HEC 130 HP71 HEM 30 -12.362 -1.505 -3.578
485 2HAA HEC 130 HP72 HEM 30 -13.912 -0.949 -2.951
486 1HBA HEC 130 HP73 HEM 30 -14.024 -3.059 -4.203
487 2HBA HEC 130 HP74 HEM 30 -14.597 -3.245 -2.552
488 1HMB HEC 130 HM11 HEM 30 -13.526 -4.676 3.855
489 2HMB HEC 130 HM12 HEM 30 -12.973 -4.499 5.521
490 3HMB HEC 130 HM13 HEM 30 -13.703 -3.120 4.706
491 HAB HEC 130 HT2A HEM 30 -9.152 -4.355 6.203
492 1HBB HEC 130 HT21 HEM 30 -11.440 -6.214 5.498
493 2HBB HEC 130 HT22 HEM 30 -9.749 -6.395 4.995
494 3HBB HEC 130 HT23 HEM 30 -10.188 -6.504 6.712
495 1HMC HEC 130 HM31 HEM 30 -5.712 -2.988 5.574
496 2HMC HEC 130 HM32 HEM 30 -4.945 -3.883 4.220
497 3HMC HEC 130 HM33 HEM 30 -4.253 -2.369 4.823
498 HAC HEC 130 HT4A HEM 30 -4.327 0.517 2.211
499 1HBC HEC 130 HT41 HEM 30 -2.918 -2.019 3.080
500 2HBC HEC 130 HT42 HEM 30 -2.965 -1.244 1.478
501 3HBC HEC 130 HT43 HEM 30 -2.156 -0.438 2.841
502 1HMD HEC 130 HM51 HEM 30 -5.464 0.391 -3.136
503 2HMD HEC 130 HM52 HEM 30 -5.379 1.661 -1.889
504 3HMD HEC 130 HM53 HEM 30 -4.767 0.016 -1.565
505 1HAD HEC 130 HP61 HEM 30 -7.346 0.991 -4.183
506 2HAD HEC 130 HP62 HEM 30 -9.069 0.836 -4.095
507 1HBD HEC 130 HP63 HEM 30 -8.773 -1.703 -4.212
508 2HBD HEC 130 HP64 HEM 30 -7.072 -1.393 -4.557
509 HHA HEC 153 HCM HEM 53 5.362 -5.181 4.922
510 HHB HEC 153 HDM HEM 53 3.254 -3.420 -0.657
511 HHC HEC 153 HAM HEM 53 -0.243 0.929 2.081
512 HHD HEC 153 HBM HEM 53 1.846 -0.802 7.663
513 1HMA HEC 153 HM81 HEM 53 5.676 -4.903 -0.808
514 2HMA HEC 153 HM82 HEM 53 5.390 -6.468 -0.021
515 3HMA HEC 153 HM83 HEM 53 4.046 -5.627 -0.783
516 1HAA HEC 153 HP71 HEM 53 7.023 -5.579 3.329
517 2HAA HEC 153 HP72 HEM 53 6.958 -6.171 1.681
518 1HBA HEC 153 HP73 HEM 53 5.470 -7.962 2.280
519 2HBA HEC 153 HP74 HEM 53 5.172 -7.277 3.878
520 1HMB HEC 153 HM11 HEM 53 1.157 -2.095 -2.413
521 2HMB HEC 153 HM12 HEM 53 1.829 -0.439 -2.394
522 3HMB HEC 153 HM13 HEM 53 2.891 -1.812 -2.133
523 HAB HEC 153 HT2A HEM 53 -1.057 0.679 0.198
524 1HBB HEC 153 HT21 HEM 53 -1.317 -1.087 -1.539
525 2HBB HEC 153 HT22 HEM 53 -1.837 0.552 -1.965
526 3HBB HEC 153 HT23 HEM 53 -0.331 -0.069 -2.610
527 1HMC HEC 153 HM31 HEM 53 -0.589 3.052 4.729
528 2HMC HEC 153 HM32 HEM 53 -1.289 2.189 3.368
529 3HMC HEC 153 HM33 HEM 53 -1.937 1.918 4.956
530 HAC HEC 153 HT4A HEM 53 0.021 0.366 8.004
531 1HBC HEC 153 HT41 HEM 53 -1.328 2.215 8.526
532 2HBC HEC 153 HT42 HEM 53 -1.184 2.922 6.928
533 3HBC HEC 153 HT43 HEM 53 -2.044 1.380 7.145
534 1HMD HEC 153 HM51 HEM 53 3.775 -2.036 9.414
535 2HMD HEC 153 HM52 HEM 53 2.062 -2.446 9.164
536 3HMD HEC 153 HM53 HEM 53 3.215 -3.720 9.502
537 1HAD HEC 153 HP61 HEM 53 5.157 -5.831 6.955
538 2HAD HEC 153 HP62 HEM 53 3.757 -5.667 7.978
539 1HBD HEC 153 HP63 HEM 53 5.392 -3.940 9.345
540 2HBD HEC 153 HP64 HEM 53 6.575 -4.707 8.366
541 HHA HEC 166 HCM HEM 66 3.582 2.393 -10.401
542 HHB HEC 166 HDM HEM 66 9.745 3.181 -10.337
543 HHC HEC 166 HAM HEM 66 9.626 3.009 -4.109
544 HHD HEC 166 HBM HEM 66 3.805 0.915 -4.348
545 1HMA HEC 166 HM81 HEM 66 9.059 2.745 -12.659
546 2HMA HEC 166 HM82 HEM 66 7.665 3.520 -13.421
547 3HMA HEC 166 HM83 HEM 66 8.633 4.423 -12.256
548 1HAA HEC 166 HP71 HEM 66 5.349 3.728 -13.163
549 2HAA HEC 166 HP72 HEM 66 4.103 2.726 -12.422
550 1HBA HEC 166 HP73 HEM 66 5.313 0.707 -13.128
551 2HBA HEC 166 HP74 HEM 66 6.483 1.700 -13.978
552 1HMB HEC 166 HM11 HEM 66 12.703 4.067 -8.263
553 2HMB HEC 166 HM12 HEM 66 12.099 2.874 -9.411
554 3HMB HEC 166 HM13 HEM 66 11.540 4.564 -9.487
555 HAB HEC 166 HT2A HEM 66 11.605 3.384 -4.581
556 1HBB HEC 166 HT21 HEM 66 13.085 5.265 -4.867
557 2HBB HEC 166 HT22 HEM 66 12.564 5.487 -6.541
558 3HBB HEC 166 HT23 HEM 66 11.414 5.748 -5.222
559 1HMC HEC 166 HM31 HEM 66 7.852 1.743 -1.129
560 2HMC HEC 166 HM32 HEM 66 9.186 1.333 -2.193
561 3HMC HEC 166 HM33 HEM 66 8.751 3.041 -1.919
562 HAC HEC 166 HT4A HEM 66 4.649 0.072 -2.596
563 1HBC HEC 166 HT41 HEM 66 5.761 1.984 -0.511
564 2HBC HEC 166 HT42 HEM 66 4.287 2.225 -1.458
565 3HBC HEC 166 HT43 HEM 66 4.419 0.843 -0.344
566 1HMD HEC 166 HM51 HEM 66 1.607 1.301 -4.789
567 2HMD HEC 166 HM52 HEM 66 0.602 1.135 -6.219
568 3HMD HEC 166 HM53 HEM 66 1.614 -0.213 -5.676
569 1HAD HEC 166 HP61 HEM 66 0.651 2.186 -8.704
570 2HAD HEC 166 HP62 HEM 66 0.873 0.484 -8.363
571 1HBD HEC 166 HP63 HEM 66 0.597 0.326 -10.540
572 2HBD HEC 166 HP64 HEM 66 2.343 0.368 -10.449
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