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 |
|
|
3971 |
1ehj   |
4743 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
1 1H ALA 1 H1 ALA 1 11.022 4.025 -6.275
2 2H ALA 1 H2 ALA 1 9.852 4.551 -7.306
3 3H ALA 1 H3 ALA 1 9.852 4.551 -7.306
4 HA ALA 1 HA ALA 1 11.259 2.224 -7.485
5 1HB ALA 1 HB1 ALA 1 12.009 2.384 -9.834
6 2HB ALA 1 HB2 ALA 1 11.591 4.110 -9.874
7 3HB ALA 1 HB3 ALA 1 12.910 3.534 -8.831
8 H ASP 2 H ASP 2 10.059 1.202 -9.756
9 HA ASP 2 HA ASP 2 7.346 2.142 -9.909
10 1HB ASP 2 HB2 ASP 2 7.409 0.455 -11.830
11 2HB ASP 2 HB3 ASP 2 8.667 1.688 -12.005
12 H VAL 3 H VAL 3 9.333 -0.659 -8.954
13 HA VAL 3 HA VAL 3 7.030 -1.399 -7.169
14 HB VAL 3 HB VAL 3 7.377 -3.120 -8.850
15 1HG1 VAL 3 HG11 VAL 3 10.173 -3.488 -7.689
16 2HG1 VAL 3 HG12 VAL 3 9.380 -4.513 -8.899
17 3HG1 VAL 3 HG13 VAL 3 9.796 -2.842 -9.302
18 1HG2 VAL 3 HG21 VAL 3 6.572 -3.705 -6.586
19 2HG2 VAL 3 HG22 VAL 3 7.482 -5.021 -7.342
20 3HG2 VAL 3 HG23 VAL 3 8.243 -4.036 -6.078
21 H VAL 4 H VAL 4 7.417 -1.523 -5.019
22 HA VAL 4 HA VAL 4 10.231 -1.372 -4.008
23 HB VAL 4 HB VAL 4 7.883 0.232 -3.040
24 1HG1 VAL 4 HG11 VAL 4 10.705 -0.122 -1.883
25 2HG1 VAL 4 HG12 VAL 4 9.573 1.131 -1.354
26 3HG1 VAL 4 HG13 VAL 4 9.202 -0.565 -1.064
27 1HG2 VAL 4 HG21 VAL 4 8.986 1.274 -4.949
28 2HG2 VAL 4 HG22 VAL 4 9.360 2.162 -3.462
29 3HG2 VAL 4 HG23 VAL 4 10.573 1.065 -4.164
30 H THR 5 H THR 5 10.378 -2.310 -1.842
31 HA THR 5 HA THR 5 7.905 -3.365 -0.901
32 HB THR 5 HB THR 5 8.876 -5.375 -2.001
33 HG1 THR 5 HG1 THR 5 7.982 -5.182 0.271
34 1HG2 THR 5 HG21 THR 5 11.295 -5.033 -0.167
35 2HG2 THR 5 HG22 THR 5 10.967 -6.395 -1.249
36 3HG2 THR 5 HG23 THR 5 11.295 -4.793 -1.929
37 H TYR 6 H TYR 6 7.609 -3.315 1.200
38 HA TYR 6 HA TYR 6 9.730 -2.267 3.001
39 1HB TYR 6 HB2 TYR 6 6.897 -3.212 3.567
40 2HB TYR 6 HB3 TYR 6 8.039 -2.642 4.774
41 HD1 TYR 6 HD1 TYR 6 5.813 -1.652 2.022
42 HD2 TYR 6 HD2 TYR 6 8.717 -0.258 4.884
43 HE1 TYR 6 HE1 TYR 6 5.333 0.672 1.386
44 HE2 TYR 6 HE2 TYR 6 8.113 2.087 4.343
45 HH TYR 6 HH TYR 6 5.977 2.876 1.689
46 H GLU 7 H GLU 7 11.346 -3.829 3.129
47 HA GLU 7 HA GLU 7 10.719 -6.629 3.513
48 1HB GLU 7 HB2 GLU 7 13.130 -6.794 4.095
49 2HB GLU 7 HB3 GLU 7 12.695 -6.396 2.433
50 1HG GLU 7 HG2 GLU 7 13.334 -4.070 2.711
51 2HG GLU 7 HG3 GLU 7 13.529 -4.282 4.466
52 H ASN 8 H ASN 8 9.269 -6.337 5.061
53 HA ASN 8 HA ASN 8 9.998 -5.604 7.849
54 1HB ASN 8 HB2 ASN 8 7.644 -5.765 8.318
55 2HB ASN 8 HB3 ASN 8 7.840 -4.850 6.818
56 1HD2 ASN 8 HD21 ASN 8 6.433 -7.427 4.739
57 2HD2 ASN 8 HD22 ASN 8 7.330 -5.907 4.758
58 H LYS 9 H LYS 9 9.100 -7.195 9.583
59 HA LYS 9 HA LYS 9 10.796 -9.424 9.268
60 1HB LYS 9 HB2 LYS 9 10.178 -8.148 11.420
61 2HB LYS 9 HB3 LYS 9 8.627 -8.975 11.370
62 1HG LYS 9 HG2 LYS 9 9.663 -10.414 12.758
63 2HG LYS 9 HG3 LYS 9 10.227 -11.178 11.274
64 1HD LYS 9 HD2 LYS 9 11.668 -9.102 12.958
65 2HD LYS 9 HD3 LYS 9 12.006 -10.848 12.928
66 1HE LYS 9 HE2 LYS 9 12.605 -10.604 10.460
67 2HE LYS 9 HE3 LYS 9 12.448 -8.844 10.656
68 1HZ LYS 9 HZ1 LYS 9 14.368 -10.546 12.085
69 2HZ LYS 9 HZ2 LYS 9 14.699 -9.524 10.841
70 3HZ LYS 9 HZ3 LYS 9 14.194 -8.918 12.281
71 H LYS 10 H LYS 10 7.280 -9.209 9.333
72 HA LYS 10 HA LYS 10 6.576 -11.911 9.484
73 1HB LYS 10 HB2 LYS 10 5.296 -9.839 7.632
74 2HB LYS 10 HB3 LYS 10 4.543 -11.358 8.049
75 1HG LYS 10 HG2 LYS 10 5.292 -9.428 10.226
76 2HG LYS 10 HG3 LYS 10 3.944 -9.055 9.154
77 1HD LYS 10 HD2 LYS 10 3.189 -10.197 11.212
78 2HD LYS 10 HD3 LYS 10 2.756 -11.060 9.727
79 1HE LYS 10 HE2 LYS 10 4.569 -12.680 10.091
80 2HE LYS 10 HE3 LYS 10 5.172 -11.747 11.481
81 1HZ LYS 10 HZ1 LYS 10 2.576 -13.130 11.306
82 2HZ LYS 10 HZ2 LYS 10 3.894 -13.648 12.137
83 3HZ LYS 10 HZ3 LYS 10 3.119 -12.280 12.612
84 H GLY 11 H GLY 11 7.164 -10.028 6.575
85 1HA GLY 11 HA2 GLY 11 7.970 -11.999 4.704
86 2HA GLY 11 HA3 GLY 11 6.185 -11.976 4.825
87 H ASN 12 H ASN 12 8.591 -10.655 3.113
88 HA ASN 12 HA ASN 12 8.409 -7.892 3.482
89 1HB ASN 12 HB2 ASN 12 9.187 -9.355 0.941
90 2HB ASN 12 HB3 ASN 12 9.602 -7.693 1.370
91 1HD2 ASN 12 HD21 ASN 12 11.622 -9.508 4.211
92 2HD2 ASN 12 HD22 ASN 12 9.987 -8.931 4.392
93 H VAL 13 H VAL 13 7.171 -6.263 2.606
94 HA VAL 13 HA VAL 13 4.628 -7.157 1.309
95 HB VAL 13 HB VAL 13 5.344 -4.721 2.947
96 1HG1 VAL 13 HG11 VAL 13 3.093 -5.166 0.975
97 2HG1 VAL 13 HG12 VAL 13 2.793 -4.223 2.442
98 3HG1 VAL 13 HG13 VAL 13 4.027 -3.692 1.289
99 1HG2 VAL 13 HG21 VAL 13 4.624 -6.940 3.979
100 2HG2 VAL 13 HG22 VAL 13 3.651 -5.532 4.413
101 3HG2 VAL 13 HG23 VAL 13 3.048 -6.697 3.217
102 H THR 14 H THR 14 5.068 -7.268 -0.834
103 HA THR 14 HA THR 14 6.597 -5.289 -2.267
104 HB THR 14 HB THR 14 4.500 -7.261 -3.272
105 HG1 THR 14 HG1 THR 14 6.376 -8.566 -3.587
106 1HG2 THR 14 HG21 THR 14 6.860 -5.900 -4.662
107 2HG2 THR 14 HG22 THR 14 5.856 -7.182 -5.370
108 3HG2 THR 14 HG23 THR 14 5.136 -5.614 -5.001
109 H PHE 15 H PHE 15 5.860 -3.471 -3.354
110 HA PHE 15 HA PHE 15 2.987 -3.212 -3.816
111 1HB PHE 15 HB2 PHE 15 2.782 -0.931 -3.084
112 2HB PHE 15 HB3 PHE 15 3.120 -2.017 -1.751
113 HD1 PHE 15 HD1 PHE 15 5.558 -2.217 -0.914
114 HD2 PHE 15 HD2 PHE 15 4.076 1.057 -3.308
115 HE1 PHE 15 HE1 PHE 15 7.273 -0.727 0.046
116 HE2 PHE 15 HE2 PHE 15 5.752 2.565 -2.272
117 HZ PHE 15 HZ PHE 15 7.295 1.671 -0.522
118 H ASP 16 H ASP 16 3.026 -3.269 -5.915
119 HA ASP 16 HA ASP 16 4.830 -2.067 -7.683
120 1HB ASP 16 HB2 ASP 16 1.883 -2.725 -8.054
121 2HB ASP 16 HB3 ASP 16 3.138 -2.593 -9.314
122 H HIS 17 HN HIS 17 5.095 -0.100 -6.463
123 HA HIS 17 HA HIS 17 3.508 2.072 -6.018
124 1HB HIS 17 HB2 HIS 17 5.966 1.784 -5.594
125 2HB HIS 17 HB3 HIS 17 6.293 2.019 -7.295
126 HD1 HIS 17 HND HIS 17 6.999 4.386 -7.857
127 HD2 HIS 17 HD HIS 17 4.441 4.080 -4.533
128 HE1 HIS 17 HE HIS 17 6.605 6.781 -6.975
129 H LYS 18 H LYS 18 5.223 1.525 -9.073
130 HA LYS 18 HA LYS 18 4.134 3.507 -10.739
131 1HB LYS 18 HB2 LYS 18 6.015 2.404 -11.495
132 2HB LYS 18 HB3 LYS 18 5.317 0.770 -11.216
133 1HG LYS 18 HG2 LYS 18 3.858 1.030 -13.035
134 2HG LYS 18 HG3 LYS 18 4.277 2.768 -13.197
135 1HD LYS 18 HD2 LYS 18 6.605 2.039 -13.786
136 2HD LYS 18 HD3 LYS 18 6.038 0.359 -13.832
137 1HE LYS 18 HE2 LYS 18 4.963 2.697 -15.503
138 2HE LYS 18 HE3 LYS 18 6.051 1.449 -16.122
139 1HZ LYS 18 HZ1 LYS 18 3.487 0.592 -14.965
140 2HZ LYS 18 HZ2 LYS 18 3.385 1.378 -16.302
141 3HZ LYS 18 HZ3 LYS 18 4.297 -0.023 -16.260
142 H ALA 19 H ALA 19 3.063 0.091 -10.306
143 HA ALA 19 HA ALA 19 0.939 0.142 -12.146
144 1HB ALA 19 HB1 ALA 19 1.760 -1.896 -11.002
145 2HB ALA 19 HB2 ALA 19 0.990 -1.281 -9.503
146 3HB ALA 19 HB3 ALA 19 -0.011 -1.704 -10.899
147 H HIS 20 HN HIS 20 0.836 0.743 -8.598
148 HA HIS 20 HA HIS 20 -1.942 1.417 -8.454
149 1HB HIS 20 HB2 HIS 20 0.469 2.225 -6.772
150 2HB HIS 20 HB3 HIS 20 -1.181 2.723 -6.421
151 HD1 HIS 20 HND HIS 20 0.782 -0.604 -6.742
152 HD2 HIS 20 HD HIS 20 -2.626 1.121 -4.989
153 HE1 HIS 20 HE HIS 20 -0.215 -2.361 -5.158
154 H ALA 21 H ALA 21 0.976 3.240 -9.238
155 HA ALA 21 HA ALA 21 -0.260 5.852 -9.203
156 1HB ALA 21 HB1 ALA 21 2.162 5.058 -10.859
157 2HB ALA 21 HB2 ALA 21 1.677 6.669 -10.325
158 3HB ALA 21 HB3 ALA 21 2.208 5.452 -9.136
159 H GLU 22 H GLU 22 0.345 3.650 -11.927
160 HA GLU 22 HA GLU 22 -0.838 5.509 -13.829
161 1HB GLU 22 HB2 GLU 22 -0.325 3.908 -15.547
162 2HB GLU 22 HB3 GLU 22 1.043 4.122 -14.454
163 1HG GLU 22 HG2 GLU 22 0.171 1.979 -13.275
164 2HG GLU 22 HG3 GLU 22 -0.782 1.718 -14.741
165 H LYS 23 H LYS 23 -1.911 2.471 -12.272
166 HA LYS 23 HA LYS 23 -4.451 2.244 -13.467
167 1HB LYS 23 HB2 LYS 23 -3.473 1.605 -10.655
168 2HB LYS 23 HB3 LYS 23 -4.980 0.997 -11.329
169 1HG LYS 23 HG2 LYS 23 -2.336 0.499 -12.784
170 2HG LYS 23 HG3 LYS 23 -2.786 -0.464 -11.387
171 1HD LYS 23 HD2 LYS 23 -4.990 -0.187 -13.317
172 2HD LYS 23 HD3 LYS 23 -3.512 -0.806 -14.075
173 1HE LYS 23 HE2 LYS 23 -3.312 -2.587 -12.353
174 2HE LYS 23 HE3 LYS 23 -4.700 -1.930 -11.477
175 1HZ LYS 23 HZ1 LYS 23 -4.798 -3.218 -14.123
176 2HZ LYS 23 HZ2 LYS 23 -5.271 -3.811 -12.655
177 3HZ LYS 23 HZ3 LYS 23 -6.095 -2.564 -13.310
178 H LEU 24 H LEU 24 -3.454 4.018 -10.471
179 HA LEU 24 HA LEU 24 -6.231 4.965 -10.136
180 1HB LEU 24 HB2 LEU 24 -3.835 5.371 -8.331
181 2HB LEU 24 HB3 LEU 24 -5.530 5.633 -7.945
182 HG LEU 24 HG LEU 24 -4.449 2.867 -8.692
183 1HD1 LEU 24 HD11 LEU 24 -4.673 4.195 -5.983
184 2HD1 LEU 24 HD12 LEU 24 -4.411 2.450 -6.242
185 3HD1 LEU 24 HD13 LEU 24 -3.209 3.637 -6.777
186 1HD2 LEU 24 HD21 LEU 24 -6.870 3.075 -8.923
187 2HD2 LEU 24 HD22 LEU 24 -6.486 2.120 -7.484
188 3HD2 LEU 24 HD23 LEU 24 -6.997 3.814 -7.314
189 H GLY 25 H GLY 25 -2.897 6.475 -10.281
190 1HA GLY 25 HA2 GLY 25 -3.120 8.474 -11.869
191 2HA GLY 25 HA3 GLY 25 -4.115 9.159 -10.561
192 H CYS 26 HN CYS 26 -3.172 9.305 -8.447
193 HA CYS 26 HA CYS 26 -0.468 8.890 -7.724
194 1HB CYS 26 HB2 CYS 26 -0.307 10.796 -9.693
195 2HB CYS 26 HB3 CYS 26 -0.745 11.831 -8.363
196 H ASP 27 H ASP 27 -3.022 11.102 -7.774
197 HA ASP 27 HA ASP 27 -3.257 12.566 -5.427
198 1HB ASP 27 HB2 ASP 27 -5.675 12.378 -6.019
199 2HB ASP 27 HB3 ASP 27 -4.672 12.837 -7.398
200 H ALA 28 H ALA 28 -4.304 9.335 -6.277
201 HA ALA 28 HA ALA 28 -5.645 8.304 -4.211
202 1HB ALA 28 HB1 ALA 28 -3.295 7.014 -5.662
203 2HB ALA 28 HB2 ALA 28 -4.530 6.130 -4.735
204 3HB ALA 28 HB3 ALA 28 -4.990 7.050 -6.190
205 H CYS 29 HN CYS 29 -2.123 8.794 -4.173
206 HA CYS 29 HA CYS 29 -2.070 8.144 -1.232
207 1HB CYS 29 HB2 CYS 29 0.081 7.616 -3.257
208 2HB CYS 29 HB3 CYS 29 0.073 7.147 -1.545
209 H HIS 30 HN HIS 30 -0.848 10.254 -3.850
210 HA HIS 30 HA HIS 30 0.619 11.903 -1.818
211 1HB HIS 30 HB2 HIS 30 1.164 11.452 -4.762
212 2HB HIS 30 HB3 HIS 30 2.052 12.544 -3.712
213 HD1 HIS 30 HND HIS 30 3.427 11.236 -1.654
214 HD2 HIS 30 HD HIS 30 2.199 9.150 -5.041
215 HE1 HIS 30 HE HIS 30 5.079 9.217 -1.980
216 H GLU 31 H GLU 31 -1.147 13.211 -1.375
217 HA GLU 31 HA GLU 31 -2.795 14.394 -3.427
218 1HB GLU 31 HB2 GLU 31 -2.484 15.539 -0.589
219 2HB GLU 31 HB3 GLU 31 -3.841 15.626 -1.710
220 1HG GLU 31 HG2 GLU 31 -3.974 13.138 -1.546
221 2HG GLU 31 HG3 GLU 31 -2.810 13.175 -0.213
222 H GLY 32 H GLY 32 -0.608 15.858 -1.165
223 1HA GLY 32 HA2 GLY 32 -0.520 18.423 -2.490
224 2HA GLY 32 HA3 GLY 32 0.463 17.946 -1.098
225 H THR 33 H THR 33 2.219 16.204 -1.724
226 HA THR 33 HA THR 33 3.234 16.224 -4.381
227 HB THR 33 HB THR 33 3.951 18.523 -3.512
228 HG1 THR 33 HG1 THR 33 6.009 18.279 -4.352
229 1HG2 THR 33 HG21 THR 33 5.923 16.939 -1.807
230 2HG2 THR 33 HG22 THR 33 5.787 18.696 -1.956
231 3HG2 THR 33 HG23 THR 33 4.500 17.781 -1.150
232 HA PRO 34 HA PRO 34 4.830 12.602 -2.203
233 1HB PRO 34 HB2 PRO 34 6.577 11.553 -3.959
234 2HB PRO 34 HB3 PRO 34 4.820 11.531 -4.277
235 1HG PRO 34 HG2 PRO 34 6.838 13.468 -5.351
236 2HG PRO 34 HG3 PRO 34 5.506 12.614 -6.204
237 1HD PRO 34 HD2 PRO 34 5.297 15.204 -5.318
238 2HD PRO 34 HD3 PRO 34 3.896 14.097 -5.381
239 H ALA 35 H ALA 35 6.423 12.316 -0.685
240 HA ALA 35 HA ALA 35 9.142 13.299 -1.095
241 1HB ALA 35 HB1 ALA 35 8.028 15.358 -0.311
242 2HB ALA 35 HB2 ALA 35 7.351 14.484 1.079
243 3HB ALA 35 HB3 ALA 35 9.110 14.715 0.942
244 H LYS 36 H LYS 36 8.609 10.870 -1.144
245 HA LYS 36 HA LYS 36 8.347 8.806 -0.303
246 1HB LYS 36 HB2 LYS 36 9.165 9.855 2.442
247 2HB LYS 36 HB3 LYS 36 9.045 8.188 1.918
248 1HG LYS 36 HG2 LYS 36 10.816 9.429 0.060
249 2HG LYS 36 HG3 LYS 36 11.306 9.953 1.674
250 1HD LYS 36 HD2 LYS 36 10.764 7.088 0.776
251 2HD LYS 36 HD3 LYS 36 12.362 7.795 0.932
252 1HE LYS 36 HE2 LYS 36 12.343 7.800 3.235
253 2HE LYS 36 HE3 LYS 36 10.616 7.939 3.410
254 1HZ LYS 36 HZ1 LYS 36 11.444 5.425 2.238
255 2HZ LYS 36 HZ2 LYS 36 11.722 5.643 3.881
256 3HZ LYS 36 HZ3 LYS 36 10.243 5.801 3.147
257 H ILE 37 H ILE 37 7.154 7.742 1.765
258 HA ILE 37 HA ILE 37 5.074 9.513 2.863
259 HB ILE 37 HB ILE 37 4.254 6.707 2.055
260 1HG1 ILE 37 HG12 ILE 37 3.848 9.289 0.529
261 2HG1 ILE 37 HG13 ILE 37 4.661 7.788 0.024
262 1HG2 ILE 37 HG21 ILE 37 2.634 9.158 2.885
263 2HG2 ILE 37 HG22 ILE 37 2.002 7.524 2.599
264 3HG2 ILE 37 HG23 ILE 37 3.062 7.821 3.970
265 1HD1 ILE 37 HD11 ILE 37 1.676 8.258 0.457
266 2HD1 ILE 37 HD12 ILE 37 2.495 7.854 -1.051
267 3HD1 ILE 37 HD13 ILE 37 2.379 6.640 0.237
268 H ALA 38 H ALA 38 6.460 6.321 2.873
269 HA ALA 38 HA ALA 38 7.404 4.975 4.406
270 1HB ALA 38 HB1 ALA 38 8.490 6.997 5.297
271 2HB ALA 38 HB2 ALA 38 7.154 7.198 6.460
272 3HB ALA 38 HB3 ALA 38 8.167 5.747 6.528
273 H ILE 39 H ILE 39 5.409 3.894 3.884
274 HA ILE 39 HA ILE 39 3.212 4.106 5.851
275 HB ILE 39 HB ILE 39 3.554 2.624 3.234
276 1HG1 ILE 39 HG12 ILE 39 3.049 5.013 3.042
277 2HG1 ILE 39 HG13 ILE 39 1.697 4.001 2.544
278 1HG2 ILE 39 HG21 ILE 39 1.457 2.290 5.372
279 2HG2 ILE 39 HG22 ILE 39 1.040 2.070 3.666
280 3HG2 ILE 39 HG23 ILE 39 2.305 1.071 4.388
281 1HD1 ILE 39 HD11 ILE 39 1.891 5.666 5.072
282 2HD1 ILE 39 HD12 ILE 39 0.745 5.805 3.737
283 3HD1 ILE 39 HD13 ILE 39 0.646 4.419 4.826
284 H ASP 40 H ASP 40 3.519 3.196 7.655
285 HA ASP 40 HA ASP 40 5.265 0.828 7.977
286 1HB ASP 40 HB2 ASP 40 5.459 1.391 10.241
287 2HB ASP 40 HB3 ASP 40 5.510 2.943 9.445
288 H LYS 41 H LYS 41 4.464 -0.520 9.794
289 HA LYS 41 HA LYS 41 2.221 -2.062 9.400
290 1HB LYS 41 HB2 LYS 41 2.202 -1.863 12.208
291 2HB LYS 41 HB3 LYS 41 3.026 -3.055 11.229
292 1HG LYS 41 HG2 LYS 41 5.038 -1.717 11.266
293 2HG LYS 41 HG3 LYS 41 4.253 -0.412 12.146
294 1HD LYS 41 HD2 LYS 41 4.101 -1.740 14.112
295 2HD LYS 41 HD3 LYS 41 4.384 -3.260 13.248
296 1HE LYS 41 HE2 LYS 41 6.441 -1.011 13.412
297 2HE LYS 41 HE3 LYS 41 6.395 -2.373 14.541
298 1HZ LYS 41 HZ1 LYS 41 6.725 -2.777 11.588
299 2HZ LYS 41 HZ2 LYS 41 7.953 -2.696 12.670
300 3HZ LYS 41 HZ3 LYS 41 6.864 -3.878 12.769
301 H LYS 42 H LYS 42 2.256 0.801 11.544
302 HA LYS 42 HA LYS 42 -0.497 0.645 12.292
303 1HB LYS 42 HB2 LYS 42 1.293 3.103 12.119
304 2HB LYS 42 HB3 LYS 42 -0.239 2.983 12.987
305 1HG LYS 42 HG2 LYS 42 0.684 1.562 14.661
306 2HG LYS 42 HG3 LYS 42 2.067 1.120 13.654
307 1HD LYS 42 HD2 LYS 42 2.813 2.643 15.366
308 2HD LYS 42 HD3 LYS 42 3.000 3.335 13.748
309 1HE LYS 42 HE2 LYS 42 0.886 4.663 14.091
310 2HE LYS 42 HE3 LYS 42 0.749 3.987 15.724
311 1HZ LYS 42 HZ1 LYS 42 2.946 5.665 14.699
312 2HZ LYS 42 HZ2 LYS 42 1.751 6.157 15.714
313 3HZ LYS 42 HZ3 LYS 42 2.860 5.056 16.228
314 H SER 43 H SER 43 1.121 2.909 9.959
315 HA SER 43 HA SER 43 -1.265 4.070 9.047
316 1HB SER 43 HB2 SER 43 1.286 3.658 7.430
317 2HB SER 43 HB3 SER 43 0.056 4.921 7.215
318 HG SER 43 HG SER 43 1.894 4.530 9.352
319 H ALA 44 H ALA 44 0.633 1.487 7.551
320 HA ALA 44 HA ALA 44 -0.747 0.771 5.287
321 1HB ALA 44 HB1 ALA 44 0.303 -1.387 5.545
322 2HB ALA 44 HB2 ALA 44 1.435 -0.099 6.035
323 3HB ALA 44 HB3 ALA 44 0.626 -1.077 7.263
324 H HIS 45 HN HIS 45 -1.130 -0.717 8.538
325 HA HIS 45 HA HIS 45 -3.361 -2.327 7.665
326 1HB HIS 45 HB2 HIS 45 -2.060 -1.805 10.346
327 2HB HIS 45 HB3 HIS 45 -3.550 -2.700 10.186
328 HD1 HIS 45 HND HIS 45 -2.744 -4.940 10.921
329 HD2 HIS 45 HD HIS 45 -0.556 -3.355 7.685
330 HE1 HIS 45 HE HIS 45 -1.285 -6.794 10.054
331 H LYS 46 H LYS 46 -3.063 0.911 9.078
332 HA LYS 46 HA LYS 46 -5.733 0.782 10.296
333 1HB LYS 46 HB2 LYS 46 -3.857 1.818 11.430
334 2HB LYS 46 HB3 LYS 46 -3.679 3.031 10.157
335 1HG LYS 46 HG2 LYS 46 -6.153 2.687 11.909
336 2HG LYS 46 HG3 LYS 46 -4.781 3.749 12.279
337 1HD LYS 46 HD2 LYS 46 -5.165 4.876 10.027
338 2HD LYS 46 HD3 LYS 46 -6.703 3.979 9.960
339 1HE LYS 46 HE2 LYS 46 -7.416 5.024 12.083
340 2HE LYS 46 HE3 LYS 46 -5.924 5.990 12.107
341 1HZ LYS 46 HZ1 LYS 46 -7.940 6.019 9.951
342 2HZ LYS 46 HZ2 LYS 46 -7.833 7.168 11.130
343 3HZ LYS 46 HZ3 LYS 46 -6.626 6.975 10.019
344 H ASP 47 H ASP 47 -4.184 3.104 8.043
345 HA ASP 47 HA ASP 47 -6.428 3.019 6.223
346 1HB ASP 47 HB2 ASP 47 -6.048 5.485 7.945
347 2HB ASP 47 HB3 ASP 47 -6.671 5.585 6.308
348 H ALA 48 H ALA 48 -4.441 2.088 5.338
349 HA ALA 48 HA ALA 48 -3.801 4.085 3.360
350 1HB ALA 48 HB1 ALA 48 -1.360 3.472 3.212
351 2HB ALA 48 HB2 ALA 48 -1.819 4.442 4.624
352 3HB ALA 48 HB3 ALA 48 -1.516 2.716 4.815
353 H CYS 49 HN CYS 49 -2.208 0.929 3.844
354 HA CYS 49 HA CYS 49 -3.097 0.061 1.235
355 1HB CYS 49 HB2 CYS 49 -1.971 -1.693 3.394
356 2HB CYS 49 HB3 CYS 49 -1.860 -1.913 1.657
357 H LYS 50 H LYS 50 -3.778 -1.136 4.543
358 HA LYS 50 HA LYS 50 -5.769 -2.982 3.512
359 1HB LYS 50 HB2 LYS 50 -3.995 -3.235 5.465
360 2HB LYS 50 HB3 LYS 50 -5.210 -2.406 6.412
361 1HG LYS 50 HG2 LYS 50 -6.814 -4.349 5.391
362 2HG LYS 50 HG3 LYS 50 -5.262 -5.108 5.050
363 1HD LYS 50 HD2 LYS 50 -5.645 -5.988 7.134
364 2HD LYS 50 HD3 LYS 50 -4.737 -4.555 7.604
365 1HE LYS 50 HE2 LYS 50 -7.766 -5.009 7.641
366 2HE LYS 50 HE3 LYS 50 -6.704 -4.784 9.037
367 1HZ LYS 50 HZ1 LYS 50 -7.342 -2.699 7.024
368 2HZ LYS 50 HZ2 LYS 50 -7.961 -2.795 8.541
369 3HZ LYS 50 HZ3 LYS 50 -6.373 -2.487 8.321
370 H THR 51 H THR 51 -6.552 -0.363 2.998
371 HA THR 51 HA THR 51 -9.137 -0.361 4.370
372 HB THR 51 HB THR 51 -7.575 1.377 5.438
373 HG1 THR 51 HG1 THR 51 -9.310 2.641 5.867
374 1HG2 THR 51 HG21 THR 51 -8.512 3.016 3.025
375 2HG2 THR 51 HG22 THR 51 -7.718 3.649 4.454
376 3HG2 THR 51 HG23 THR 51 -6.817 2.579 3.377
377 H CYS 52 HN CYS 52 -7.126 1.202 1.834
378 HA CYS 52 HA CYS 52 -9.055 1.733 -0.088
379 1HB CYS 52 HB2 CYS 52 -6.164 1.419 0.070
380 2HB CYS 52 HB3 CYS 52 -6.766 0.601 -1.358
381 H HIS 53 HN HIS 53 -7.183 -1.313 0.311
382 HA HIS 53 HA HIS 53 -8.230 -2.481 -1.986
383 1HB HIS 53 HB2 HIS 53 -7.255 -3.906 0.500
384 2HB HIS 53 HB3 HIS 53 -7.516 -4.642 -1.085
385 HD1 HIS 53 HND HIS 53 -4.709 -4.906 0.034
386 HD2 HIS 53 HD HIS 53 -5.976 -1.828 -2.553
387 HE1 HIS 53 HE HIS 53 -2.672 -4.024 -1.181
388 H LYS 54 H LYS 54 -9.852 -2.189 1.101
389 HA LYS 54 HA LYS 54 -11.406 -4.434 1.373
390 1HB LYS 54 HB2 LYS 54 -12.094 -1.554 1.879
391 2HB LYS 54 HB3 LYS 54 -13.163 -2.891 2.327
392 1HG LYS 54 HG2 LYS 54 -11.610 -3.848 3.851
393 2HG LYS 54 HG3 LYS 54 -10.257 -2.935 3.171
394 1HD LYS 54 HD2 LYS 54 -10.743 -1.916 5.224
395 2HD LYS 54 HD3 LYS 54 -11.272 -0.836 3.918
396 1HE LYS 54 HE2 LYS 54 -13.636 -1.612 4.272
397 2HE LYS 54 HE3 LYS 54 -13.077 -2.521 5.689
398 1HZ LYS 54 HZ1 LYS 54 -12.853 0.400 5.288
399 2HZ LYS 54 HZ2 LYS 54 -13.923 -0.352 6.284
400 3HZ LYS 54 HZ3 LYS 54 -12.310 -0.404 6.610
401 H SER 55 H SER 55 -12.285 -1.551 -0.591
402 HA SER 55 HA SER 55 -14.702 -2.828 -1.595
403 1HB SER 55 HB2 SER 55 -13.436 -0.201 -2.432
404 2HB SER 55 HB3 SER 55 -15.131 -0.702 -2.599
405 HG SER 55 HG SER 55 -14.802 0.638 -0.749
406 H ASN 56 H ASN 56 -11.490 -3.139 -2.546
407 HA ASN 56 HA ASN 56 -12.024 -3.077 -5.485
408 1HB ASN 56 HB2 ASN 56 -9.456 -2.920 -3.859
409 2HB ASN 56 HB3 ASN 56 -9.519 -3.143 -5.605
410 1HD2 ASN 56 HD21 ASN 56 -10.159 0.596 -4.143
411 2HD2 ASN 56 HD22 ASN 56 -9.915 -0.699 -3.002
412 H ASN 57 H ASN 57 -10.521 -5.117 -2.892
413 HA ASN 57 HA ASN 57 -11.352 -7.514 -4.307
414 1HB ASN 57 HB2 ASN 57 -9.091 -6.977 -5.339
415 2HB ASN 57 HB3 ASN 57 -8.377 -7.087 -3.721
416 1HD2 ASN 57 HD21 ASN 57 -7.751 -10.448 -4.979
417 2HD2 ASN 57 HD22 ASN 57 -7.003 -8.875 -4.964
418 H GLY 58 H GLY 58 -10.830 -9.444 -2.800
419 1HA GLY 58 HA2 GLY 58 -11.258 -8.534 0.043
420 2HA GLY 58 HA3 GLY 58 -11.955 -9.944 -0.734
421 HA PRO 59 HA PRO 59 -7.567 -11.315 0.647
422 1HB PRO 59 HB2 PRO 59 -5.892 -9.527 1.821
423 2HB PRO 59 HB3 PRO 59 -5.911 -9.775 0.050
424 1HG PRO 59 HG2 PRO 59 -7.227 -7.556 1.620
425 2HG PRO 59 HG3 PRO 59 -6.301 -7.438 0.098
426 1HD PRO 59 HD2 PRO 59 -9.065 -7.547 0.277
427 2HD PRO 59 HD3 PRO 59 -8.150 -8.092 -1.169
428 H THR 60 H THR 60 -8.470 -12.367 2.431
429 HA THR 60 HA THR 60 -10.408 -10.866 4.025
430 HB THR 60 HB THR 60 -10.742 -13.303 4.874
431 HG1 THR 60 HG1 THR 60 -9.737 -14.586 2.882
432 1HG2 THR 60 HG21 THR 60 -11.063 -12.774 1.886
433 2HG2 THR 60 HG22 THR 60 -11.947 -13.976 2.847
434 3HG2 THR 60 HG23 THR 60 -12.189 -12.248 3.151
435 H LYS 61 H LYS 61 -7.813 -13.145 4.624
436 HA LYS 61 HA LYS 61 -7.342 -12.064 7.355
437 1HB LYS 61 HB2 LYS 61 -6.202 -14.571 6.039
438 2HB LYS 61 HB3 LYS 61 -6.082 -14.081 7.744
439 1HG LYS 61 HG2 LYS 61 -8.638 -14.087 7.792
440 2HG LYS 61 HG3 LYS 61 -8.601 -14.782 6.161
441 1HD LYS 61 HD2 LYS 61 -7.244 -16.699 7.051
442 2HD LYS 61 HD3 LYS 61 -7.459 -16.030 8.687
443 1HE LYS 61 HE2 LYS 61 -9.969 -16.143 8.343
444 2HE LYS 61 HE3 LYS 61 -9.692 -16.896 6.765
445 1HZ LYS 61 HZ1 LYS 61 -8.916 -18.030 9.371
446 2HZ LYS 61 HZ2 LYS 61 -10.168 -18.519 8.428
447 3HZ LYS 61 HZ3 LYS 61 -8.624 -18.729 7.907
448 H CYS 62 HN CYS 62 -4.844 -13.376 5.215
449 HA CYS 62 HA CYS 62 -3.405 -10.812 5.218
450 1HB CYS 62 HB2 CYS 62 -1.997 -13.376 5.960
451 2HB CYS 62 HB3 CYS 62 -1.440 -11.697 6.142
452 H GLY 63 H GLY 63 -0.978 -12.032 4.186
453 1HA GLY 63 HA2 GLY 63 -0.085 -13.188 2.404
454 2HA GLY 63 HA3 GLY 63 -1.694 -13.760 1.950
455 H GLY 64 H GLY 64 -3.003 -11.327 1.692
456 1HA GLY 64 HA2 GLY 64 -2.914 -10.423 -0.812
457 2HA GLY 64 HA3 GLY 64 -3.231 -9.343 0.565
458 H CYS 65 HN CYS 65 -0.747 -9.181 1.727
459 HA CYS 65 HA CYS 65 0.771 -7.568 -0.295
460 1HB CYS 65 HB2 CYS 65 0.391 -6.999 2.621
461 2HB CYS 65 HB3 CYS 65 1.054 -5.910 1.398
462 H HIS 66 HN HIS 66 1.106 -9.116 2.958
463 HA HIS 66 HA HIS 66 3.985 -9.250 2.856
464 1HB HIS 66 HB2 HIS 66 2.030 -10.944 4.470
465 2HB HIS 66 HB3 HIS 66 3.768 -10.900 4.655
466 HD1 HIS 66 HND HIS 66 4.842 -8.625 5.679
467 HD2 HIS 66 HD HIS 66 0.634 -8.914 5.612
468 HE1 HIS 66 HE HIS 66 3.883 -6.810 7.253
469 H ILE 67 H ILE 67 5.010 -10.456 1.231
470 HA ILE 67 HA ILE 67 3.685 -12.803 0.090
471 HB ILE 67 HB ILE 67 6.560 -11.906 -0.262
472 1HG1 ILE 67 HG12 ILE 67 5.207 -10.003 -0.863
473 2HG1 ILE 67 HG13 ILE 67 5.804 -10.778 -2.319
474 1HG2 ILE 67 HG21 ILE 67 4.718 -13.671 -1.942
475 2HG2 ILE 67 HG22 ILE 67 6.321 -13.099 -2.446
476 3HG2 ILE 67 HG23 ILE 67 6.165 -14.184 -1.062
477 1HD1 ILE 67 HD11 ILE 67 2.971 -11.022 -1.204
478 2HD1 ILE 67 HD12 ILE 67 3.490 -10.064 -2.593
479 3HD1 ILE 67 HD13 ILE 67 3.566 -11.830 -2.674
480 H LYS 68 H LYS 68 3.270 -13.796 2.276
481 HA LYS 68 HA LYS 68 5.106 -15.925 2.750
482 1HB LYS 68 HB2 LYS 68 6.166 -14.168 4.143
483 2HB LYS 68 HB3 LYS 68 4.586 -13.753 4.823
484 1HG LYS 68 HG2 LYS 68 5.780 -14.915 6.449
485 2HG LYS 68 HG3 LYS 68 4.492 -15.972 5.961
486 1HD LYS 68 HD2 LYS 68 7.321 -16.100 4.787
487 2HD LYS 68 HD3 LYS 68 6.966 -16.834 6.347
488 1HE LYS 68 HE2 LYS 68 5.981 -17.711 3.610
489 2HE LYS 68 HE3 LYS 68 6.929 -18.606 4.792
490 1HZ LYS 68 HZ1 LYS 68 4.101 -17.848 4.958
491 2HZ LYS 68 HZ2 LYS 68 4.686 -19.356 4.804
492 3HZ LYS 68 HZ3 LYS 68 4.908 -18.538 6.225
493 HHA HEC1030 HCM HEC 30 8.300 7.002 -1.818
494 HHB HEC1030 HDM HEC 30 6.745 10.551 -6.873
495 HHC HEC1030 HAM HEC 30 1.335 7.135 -7.472
496 HHD HEC1030 HBM HEC 30 2.458 4.637 -1.730
497 1HMA HEC1030 HM81 HEC 30 10.191 10.440 -5.358
498 2HMA HEC1030 HM82 HEC 30 9.022 10.560 -6.667
499 3HMA HEC1030 HM83 HEC 30 8.869 11.622 -5.244
500 1HAA HEC1030 HP71 HEC 30 9.777 8.700 -2.020
501 2HAA HEC1030 HP72 HEC 30 10.386 9.868 -3.169
502 1HBA HEC1030 HP73 HEC 30 11.113 8.021 -4.651
503 2HBA HEC1030 HP74 HEC 30 10.490 6.846 -3.481
504 1HMB HEC1030 HM11 HEC 30 6.031 10.913 -8.854
505 2HMB HEC1030 HM12 HEC 30 4.904 10.285 -10.031
506 3HMB HEC1030 HM13 HEC 30 4.394 11.595 -8.932
507 HAB HEC1030 HT2A HEC 30 1.328 8.621 -8.975
508 1HBB HEC1030 HT21 HEC 30 2.960 9.031 -10.888
509 2HBB HEC1030 HT22 HEC 30 1.365 9.780 -10.963
510 3HBB HEC1030 HT23 HEC 30 2.752 10.767 -10.517
511 1HMC HEC1030 HM31 HEC 30 -0.177 5.120 -6.978
512 2HMC HEC1030 HM32 HEC 30 -1.189 5.128 -5.527
513 3HMC HEC1030 HM33 HEC 30 -0.759 6.659 -6.291
514 HAC HEC1030 HT4A HEC 30 0.419 4.547 -2.034
515 1HBC HEC1030 HT41 HEC 30 0.421 2.605 -3.692
516 2HBC HEC1030 HT42 HEC 30 -0.967 2.765 -2.606
517 3HBC HEC1030 HT43 HEC 30 -1.116 3.270 -4.284
518 1HMD HEC1030 HM51 HEC 30 4.460 3.226 -0.081
519 2HMD HEC1030 HM52 HEC 30 4.827 4.469 1.142
520 3HMD HEC1030 HM53 HEC 30 3.284 4.490 0.321
521 1HAD HEC1030 HP61 HEC 30 6.665 5.666 1.107
522 2HAD HEC1030 HP62 HEC 30 7.779 6.588 0.175
523 1HBD HEC1030 HP63 HEC 30 8.742 4.448 -0.723
524 2HBD HEC1030 HP64 HEC 30 7.692 3.587 0.429
525 HHA HEC1053 HCM HEC 53 -3.765 -5.148 -6.259
526 HHB HEC1053 HDM HEC 53 0.528 -4.193 -1.573
527 HHC HEC1053 HAM HEC 53 -2.173 1.467 -0.438
528 HHD HEC1053 HBM HEC 53 -6.424 0.511 -5.047
529 1HMA HEC1053 HM81 HEC 53 1.117 -6.439 -4.148
530 2HMA HEC1053 HM82 HEC 53 0.867 -6.196 -2.411
531 3HMA HEC1053 HM83 HEC 53 -0.038 -7.453 -3.256
532 1HAA HEC1053 HP71 HEC 53 -1.309 -7.740 -5.193
533 2HAA HEC1053 HP72 HEC 53 -2.375 -6.878 -6.280
534 1HBA HEC1053 HP73 HEC 53 -3.969 -6.778 -4.142
535 2HBA HEC1053 HP74 HEC 53 -2.987 -8.140 -3.606
536 1HMB HEC1053 HM11 HEC 53 1.921 -3.012 -0.169
537 2HMB HEC1053 HM12 HEC 53 1.571 -1.945 1.195
538 3HMB HEC1053 HM13 HEC 53 0.592 -3.392 0.934
539 HAB HEC1053 HT2A HEC 53 -0.648 1.253 0.913
540 1HBB HEC1053 HT21 HEC 53 1.516 1.368 -0.251
541 2HBB HEC1053 HT22 HEC 53 1.621 1.689 1.483
542 3HBB HEC1053 HT23 HEC 53 2.166 0.137 0.838
543 1HMC HEC1053 HM31 HEC 53 -2.946 3.570 -1.302
544 2HMC HEC1053 HM32 HEC 53 -4.589 4.082 -1.676
545 3HMC HEC1053 HM33 HEC 53 -4.290 3.093 -0.235
546 HAC HEC1053 HT4A HEC 53 -7.285 1.788 -3.477
547 1HBC HEC1053 HT41 HEC 53 -6.463 3.403 -5.018
548 2HBC HEC1053 HT42 HEC 53 -7.503 4.248 -3.871
549 3HBC HEC1053 HT43 HEC 53 -5.741 4.390 -3.717
550 1HMD HEC1053 HM51 HEC 53 -6.670 -0.439 -7.763
551 2HMD HEC1053 HM52 HEC 53 -7.671 -1.895 -7.675
552 3HMD HEC1053 HM53 HEC 53 -7.805 -0.666 -6.417
553 1HAD HEC1053 HP61 HEC 53 -7.002 -3.999 -7.689
554 2HAD HEC1053 HP62 HEC 53 -5.666 -5.065 -7.367
555 1HBD HEC1053 HP63 HEC 53 -4.257 -3.931 -8.984
556 2HBD HEC1053 HP64 HEC 53 -5.448 -2.640 -9.185
557 HHA HEC1066 HCM HEC 66 4.160 -4.077 9.205
558 HHB HEC1066 HDM HEC 66 0.948 -9.209 11.212
559 HHC HEC1066 HAM HEC 66 -2.704 -8.951 5.997
560 HHD HEC1066 HBM HEC 66 0.641 -4.000 3.834
561 1HMA HEC1066 HM81 HEC 66 2.973 -7.011 13.403
562 2HMA HEC1066 HM82 HEC 66 2.086 -8.448 12.917
563 3HMA HEC1066 HM83 HEC 66 3.850 -8.349 12.645
564 1HAA HEC1066 HP71 HEC 66 4.729 -5.717 12.502
565 2HAA HEC1066 HP72 HEC 66 4.931 -4.579 11.181
566 1HBA HEC1066 HP73 HEC 66 5.945 -6.392 9.800
567 2HBA HEC1066 HP74 HEC 66 5.767 -7.494 11.174
568 1HMB HEC1066 HM11 HEC 66 -1.350 -10.562 11.464
569 2HMB HEC1066 HM12 HEC 66 -1.526 -11.873 10.277
570 3HMB HEC1066 HM13 HEC 66 0.084 -11.359 10.766
571 HAB HEC1066 HT2A HEC 66 -3.626 -10.259 7.395
572 1HBB HEC1066 HT21 HEC 66 -4.209 -9.395 9.620
573 2HBB HEC1066 HT22 HEC 66 -5.003 -10.922 9.205
574 3HBB HEC1066 HT23 HEC 66 -3.647 -10.917 10.342
575 1HMC HEC1066 HM31 HEC 66 -4.023 -7.717 4.176
576 2HMC HEC1066 HM32 HEC 66 -3.154 -7.494 2.643
577 3HMC HEC1066 HM33 HEC 66 -2.729 -8.839 3.700
578 HAC HEC1066 HT4A HEC 66 -1.046 -4.182 2.612
579 1HBC HEC1066 HT41 HEC 66 -3.314 -3.898 3.446
580 2HBC HEC1066 HT42 HEC 66 -3.226 -3.931 1.685
581 3HBC HEC1066 HT43 HEC 66 -3.840 -5.342 2.568
582 1HMD HEC1066 HM51 HEC 66 3.040 -1.291 4.834
583 2HMD HEC1066 HM52 HEC 66 3.629 -2.618 3.834
584 3HMD HEC1066 HM53 HEC 66 1.902 -2.191 3.833
585 1HAD HEC1066 HP61 HEC 66 4.319 -1.511 7.434
586 2HAD HEC1066 HP62 HEC 66 4.986 -2.108 5.952
587 1HBD HEC1066 HP63 HEC 66 6.741 -2.770 7.029
588 2HBD HEC1066 HP64 HEC 66 5.796 -4.087 7.703
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