NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
4349 |
1f5u   |
cing | 1-original | 11 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
1 1H5* G 1 1H5* G 1 0.743 18.856 5.025
2 2H5* G 1 2H5* G 1 -0.902 18.214 4.842
3 H4* G 1 H4* G 1 -1.229 20.531 4.991
4 H3* G 1 H3* G 1 -1.247 19.615 2.100
5 H2* G 1 H2* G 1 -1.232 21.865 1.300
6 2HO* G 1 2HO* G 1 -2.871 22.581 2.777
7 H1* G 1 H1* G 1 0.548 22.968 3.041
8 H8 G 1 H8 G 1 2.043 19.655 2.604
9 H1 G 1 H1 G 1 2.346 23.059 -2.825
10 1H2 G 1 1H2 G 1 0.952 24.794 -2.703
11 2H2 G 1 2H2 G 1 0.092 25.182 -1.230
12 H5T G 1 H5T G 1 0.291 17.230 3.303
13 1H5* G 2 1H5* G 2 -5.322 21.969 1.866
14 2H5* G 2 2H5* G 2 -6.041 20.931 0.617
15 H4* G 2 H4* G 2 -5.418 23.474 0.116
16 H3* G 2 H3* G 2 -5.055 21.100 -1.778
17 H2* G 2 H2* G 2 -4.110 22.631 -3.383
18 2HO* G 2 2HO* G 2 -5.385 24.393 -3.330
19 H1* G 2 H1* G 2 -2.562 24.065 -1.611
20 H8 G 2 H8 G 2 -2.253 20.577 -0.354
21 H1 G 2 H1 G 2 1.002 21.500 -5.811
22 1H2 G 2 1H2 G 2 0.339 23.382 -6.794
23 2H2 G 2 2H2 G 2 -0.752 24.498 -5.998
24 1H5* U 3 1H5* U 3 -7.342 24.009 -4.437
25 2H5* U 3 2H5* U 3 -8.310 22.889 -5.415
26 H4* U 3 H4* U 3 -6.655 24.396 -6.661
27 H3* U 3 H3* U 3 -6.554 21.350 -7.013
28 H2* U 3 H2* U 3 -4.875 21.778 -8.712
29 2HO* U 3 2HO* U 3 -5.221 23.516 -9.874
30 H1* U 3 H1* U 3 -3.504 23.702 -7.248
31 H3 U 3 H3 U 3 -0.852 19.954 -7.299
32 H5 U 3 H5 U 3 -3.749 19.193 -4.328
33 H6 U 3 H6 U 3 -4.900 21.212 -5.038
34 1H5* G 4 1H5* G 4 -6.766 22.593 -10.936
35 2H5* G 4 2H5* G 4 -7.871 21.536 -11.835
36 H4* G 4 H4* G 4 -5.584 21.476 -12.755
37 H3* G 4 H3* G 4 -6.475 18.862 -11.413
38 H2* G 4 H2* G 4 -4.412 17.947 -12.308
39 2HO* G 4 2HO* G 4 -3.768 18.682 -14.183
40 H1* G 4 H1* G 4 -2.856 20.167 -11.665
41 H8 G 4 H8 G 4 -5.286 19.487 -8.834
42 H1 G 4 H1 G 4 -0.210 15.555 -8.840
43 1H2 G 4 1H2 G 4 0.883 15.718 -10.769
44 2H2 G 4 2H2 G 4 0.476 16.942 -11.954
45 1H5* G 5 1H5* G 5 -5.429 18.042 -15.298
46 2H5* G 5 2H5* G 5 -6.325 16.727 -16.082
47 H4* G 5 H4* G 5 -3.887 16.287 -15.935
48 H3* G 5 H3* G 5 -5.648 14.411 -14.260
49 H2* G 5 H2* G 5 -3.597 13.176 -13.882
50 2HO* G 5 2HO* G 5 -2.513 13.071 -15.738
51 H1* G 5 H1* G 5 -2.000 15.447 -13.540
52 H8 G 5 H8 G 5 -5.312 15.893 -11.730
53 H1 G 5 H1 G 5 -1.116 12.193 -8.577
54 1H2 G 5 1H2 G 5 0.554 11.612 -9.939
55 2H2 G 5 2H2 G 5 0.732 12.329 -11.525
56 1H5* G 6 1H5* G 6 -3.483 11.932 -16.909
57 2H5* G 6 2H5* G 6 -4.475 10.580 -17.487
58 H4* G 6 H4* G 6 -2.438 9.777 -16.377
59 H3* G 6 H3* G 6 -5.005 9.222 -14.787
60 H2* G 6 H2* G 6 -3.567 7.914 -13.331
61 2HO* G 6 2HO* G 6 -2.347 6.991 -15.104
62 H1* G 6 H1* G 6 -1.513 9.788 -13.278
63 H8 G 6 H8 G 6 -4.968 11.436 -13.206
64 H1 G 6 H1 G 6 -2.911 9.360 -7.490
65 1H2 G 6 1H2 G 6 -1.123 8.052 -7.760
66 2H2 G 6 2H2 G 6 -0.334 7.886 -9.312
67 1H5* A 7 1H5* A 7 -3.611 4.961 -15.628
68 2H5* A 7 2H5* A 7 -5.128 4.066 -15.418
69 H4* A 7 H4* A 7 -3.149 3.669 -13.749
70 H3* A 7 H3* A 7 -6.036 4.139 -12.826
71 H2* A 7 H2* A 7 -5.204 3.703 -10.600
72 2HO* A 7 2HO* A 7 -3.809 1.915 -11.682
73 H1* A 7 H1* A 7 -2.753 5.024 -10.947
74 H8 A 7 H8 A 7 -5.532 7.194 -12.311
75 1H6 A 7 1H6 A 7 -6.552 8.975 -6.463
76 2H6 A 7 2H6 A 7 -6.850 9.344 -8.146
77 H2 A 7 H2 A 7 -3.678 5.552 -6.376
78 1H5* G 8 1H5* G 8 -6.420 -0.769 -12.426
79 2H5* G 8 2H5* G 8 -8.089 -0.637 -11.835
80 H4* G 8 H4* G 8 -5.811 -1.104 -10.264
81 H3* G 8 H3* G 8 -8.600 -0.097 -9.489
82 H2* G 8 H2* G 8 -7.743 0.239 -7.269
83 2HO* G 8 2HO* G 8 -5.957 -1.734 -8.135
84 H1* G 8 H1* G 8 -5.153 1.058 -8.029
85 H8 G 8 H8 G 8 -7.384 3.101 -10.160
86 H1 G 8 H1 G 8 -7.587 4.940 -4.010
87 1H2 G 8 1H2 G 8 -6.684 3.371 -2.720
88 2H2 G 8 2H2 G 8 -5.903 1.958 -3.394
89 1H5* A 9 1H5* A 9 -11.291 -4.749 -8.686
90 2H5* A 9 2H5* A 9 -11.251 -2.974 -8.708
91 H4* A 9 H4* A 9 -11.640 -4.131 -6.443
92 H3* A 9 H3* A 9 -9.514 -1.985 -6.886
93 H2* A 9 H2* A 9 -8.828 -2.247 -4.597
94 2HO* A 9 2HO* A 9 -10.981 -2.297 -3.756
95 H1* A 9 H1* A 9 -8.979 -4.995 -4.460
96 H8 A 9 H8 A 9 -7.675 -3.871 -7.869
97 1H6 A 9 1H6 A 9 -2.053 -3.849 -5.266
98 2H6 A 9 2H6 A 9 -2.943 -3.712 -6.766
99 H2 A 9 H2 A 9 -5.049 -4.458 -2.016
100 1H5* C 10 1H5* C 10 -12.547 1.169 -4.528
101 2H5* C 10 2H5* C 10 -11.184 2.282 -4.306
102 H4* C 10 H4* C 10 -11.969 -0.045 -2.694
103 H3* C 10 H3* C 10 -9.998 2.268 -2.308
104 H2* C 10 H2* C 10 -8.849 0.967 -0.689
105 2HO* C 10 2HO* C 10 -10.364 0.441 0.753
106 H1* C 10 H1* C 10 -9.610 -1.621 -1.696
107 1H4 C 10 1H4 C 10 -3.287 -1.150 -2.201
108 2H4 C 10 2H4 C 10 -3.464 -0.506 -3.818
109 H5 C 10 H5 C 10 -5.675 -0.087 -4.824
110 H6 C 10 H6 C 10 -8.075 -0.037 -4.388
111 1H5* G 11 1H5* G 11 -10.580 4.918 1.760
112 2H5* G 11 2H5* G 11 -9.465 4.659 0.404
113 H4* G 11 H4* G 11 -9.323 3.544 3.213
114 H3* G 11 H3* G 11 -7.440 5.179 1.448
115 H2* G 11 H2* G 11 -5.590 4.069 2.498
116 2HO* G 11 2HO* G 11 -6.582 4.497 4.632
117 H1* G 11 H1* G 11 -6.838 1.573 2.912
118 H8 G 11 H8 G 11 -7.257 2.679 -0.680
119 H1 G 11 H1 G 11 -1.462 0.261 0.573
120 1H2 G 11 1H2 G 11 -1.141 0.117 2.757
121 2H2 G 11 2H2 G 11 -2.427 0.441 3.901
122 1H5* U 12 1H5* U 12 -6.233 8.244 3.064
123 2H5* U 12 2H5* U 12 -6.345 8.924 1.427
124 H4* U 12 H4* U 12 -5.202 6.324 2.350
125 H3* U 12 H3* U 12 -4.453 8.378 0.223
126 H2* U 12 H2* U 12 -3.580 6.636 -1.185
127 2HO* U 12 2HO* U 12 -3.452 5.296 1.277
128 H1* U 12 H1* U 12 -5.517 4.736 -0.769
129 H3 U 12 H3 U 12 -5.656 6.876 -4.953
130 H5 U 12 H5 U 12 -8.559 8.679 -2.481
131 H6 U 12 H6 U 12 -7.587 7.488 -0.597
132 1H5* C 13 1H5* C 13 -1.560 5.988 0.472
133 2H5* C 13 2H5* C 13 0.111 6.487 0.776
134 H4* C 13 H4* C 13 0.103 5.238 -1.253
135 H3* C 13 H3* C 13 0.272 8.238 -1.861
136 H2* C 13 H2* C 13 0.519 7.557 -4.180
137 2HO* C 13 2HO* C 13 1.730 5.503 -3.100
138 H1* C 13 H1* C 13 -1.421 5.574 -4.099
139 1H4 C 13 1H4 C 13 -4.305 10.808 -6.331
140 2H4 C 13 2H4 C 13 -4.582 11.391 -4.704
141 H5 C 13 H5 C 13 -3.623 10.277 -2.725
142 H6 C 13 H6 C 13 -2.290 8.381 -1.968
143 1H5* C 14 1H5* C 14 3.695 6.535 -3.551
144 2H5* C 14 2H5* C 14 5.193 7.462 -3.334
145 H4* C 14 H4* C 14 4.765 7.178 -5.704
146 H3* C 14 H3* C 14 4.189 10.034 -4.743
147 H2* C 14 H2* C 14 3.793 10.558 -7.068
148 2HO* C 14 2HO* C 14 5.561 9.491 -7.971
149 H1* C 14 H1* C 14 2.436 8.193 -7.667
150 1H4 C 14 1H4 C 14 -2.163 12.462 -6.578
151 2H4 C 14 2H4 C 14 -1.874 12.419 -4.853
152 H5 C 14 H5 C 14 -0.152 10.965 -3.849
153 H6 C 14 H6 C 14 1.735 9.498 -4.338
154 1H5* C 15 1H5* C 15 7.362 10.390 -7.808
155 2H5* C 15 2H5* C 15 8.248 11.899 -7.515
156 H4* C 15 H4* C 15 6.993 11.720 -9.729
157 H3* C 15 H3* C 15 6.381 14.056 -7.835
158 H2* C 15 H2* C 15 4.984 14.893 -9.633
159 2HO* C 15 2HO* C 15 5.275 14.266 -11.709
160 H1* C 15 H1* C 15 3.958 12.399 -10.364
161 1H4 C 15 1H4 C 15 -0.525 14.973 -6.646
162 2H4 C 15 2H4 C 15 0.397 14.619 -5.202
163 H5 C 15 H5 C 15 2.607 13.534 -5.289
164 H6 C 15 H6 C 15 4.383 12.760 -6.773
165 1H5* A 16 1H5* A 16 7.958 15.742 -11.466
166 2H5* A 16 2H5* A 16 9.043 17.116 -11.174
167 H4* A 16 H4* A 16 7.194 17.759 -12.648
168 H3* A 16 H3* A 16 7.125 19.000 -9.849
169 H2* A 16 H2* A 16 5.186 20.244 -10.586
170 2HO* A 16 2HO* A 16 4.663 20.416 -12.753
171 H1* A 16 H1* A 16 3.965 18.144 -11.910
172 H8 A 16 H8 A 16 5.638 16.891 -8.726
173 1H6 A 16 1H6 A 16 0.429 18.535 -5.819
174 2H6 A 16 2H6 A 16 2.007 17.802 -5.632
175 H2 A 16 H2 A 16 0.260 20.193 -9.961
176 1H5* C 17 1H5* C 17 7.153 22.500 -12.526
177 2H5* C 17 2H5* C 17 7.858 23.838 -11.598
178 H4* C 17 H4* C 17 5.386 24.033 -12.287
179 H3* C 17 H3* C 17 6.269 24.383 -9.374
180 H2* C 17 H2* C 17 3.959 24.901 -8.884
181 2HO* C 17 2HO* C 17 3.706 26.303 -10.714
182 H1* C 17 H1* C 17 2.843 22.993 -10.601
183 1H4 C 17 1H4 C 17 2.691 20.196 -4.889
184 2H4 C 17 2H4 C 17 4.402 19.833 -4.965
185 H5 C 17 H5 C 17 5.795 20.484 -6.892
186 H6 C 17 H6 C 17 5.837 21.768 -8.966
187 1H5* C 18 1H5* C 18 4.706 28.672 -9.846
188 2H5* C 18 2H5* C 18 5.687 29.402 -8.558
189 H4* C 18 H4* C 18 3.081 29.146 -8.253
190 H3* C 18 H3* C 18 5.125 28.359 -6.118
191 H2* C 18 H2* C 18 3.268 27.898 -4.685
192 2HO* C 18 2HO* C 18 1.127 28.535 -6.077
193 H1* C 18 H1* C 18 1.663 26.781 -6.711
194 1H4 C 18 1H4 C 18 4.138 21.875 -3.490
195 2H4 C 18 2H4 C 18 5.613 21.959 -4.427
196 H5 C 18 H5 C 18 6.032 23.757 -6.060
197 H6 C 18 H6 C 18 5.111 25.778 -7.072
198 1H5* G 1 1H5* G 1 -8.948 -16.476 6.320
199 2H5* G 1 2H5* G 1 -7.261 -15.943 6.169
200 H4* G 1 H4* G 1 -7.402 -17.949 7.560
201 H3* G 1 H3* G 1 -6.003 -18.191 4.879
202 H2* G 1 H2* G 1 -5.803 -20.567 5.122
203 2HO* G 1 2HO* G 1 -5.173 -20.440 7.367
204 H1* G 1 H1* G 1 -8.296 -21.121 6.020
205 H8 G 1 H8 G 1 -8.933 -18.202 3.829
206 H1 G 1 H1 G 1 -7.423 -23.442 0.449
207 1H2 G 1 1H2 G 1 -6.524 -24.970 1.789
208 2H2 G 1 2H2 G 1 -6.485 -24.765 3.526
209 H5T G 1 H5T G 1 -8.204 -15.880 4.160
210 1H5* G 2 1H5* G 2 -2.617 -20.260 7.330
211 2H5* G 2 2H5* G 2 -1.295 -19.721 6.275
212 H4* G 2 H4* G 2 -1.953 -22.290 6.440
213 H3* G 2 H3* G 2 -1.211 -20.786 3.878
214 H2* G 2 H2* G 2 -1.515 -22.883 2.705
215 2HO* G 2 2HO* G 2 -0.454 -24.142 4.365
216 H1* G 2 H1* G 2 -3.840 -23.623 3.990
217 H8 G 2 H8 G 2 -4.167 -19.920 3.593
218 H1 G 2 H1 G 2 -5.002 -23.073 -1.938
219 1H2 G 2 1H2 G 2 -4.264 -25.164 -1.741
220 2H2 G 2 2H2 G 2 -3.764 -25.821 -0.197
221 1H5* U 3 1H5* U 3 1.716 -24.101 3.774
222 2H5* U 3 2H5* U 3 3.161 -23.412 3.009
223 H4* U 3 H4* U 3 2.052 -25.293 1.733
224 H3* U 3 H3* U 3 2.318 -22.551 0.383
225 H2* U 3 H2* U 3 1.450 -23.644 -1.604
226 2HO* U 3 2HO* U 3 2.603 -25.569 -1.518
227 H1* U 3 H1* U 3 -0.530 -25.072 -0.276
228 H3 U 3 H3 U 3 -2.708 -21.786 -2.613
229 H5 U 3 H5 U 3 -1.171 -19.839 0.800
230 H6 U 3 H6 U 3 0.046 -21.876 1.323
231 1H5* G 4 1H5* G 4 4.536 -24.859 -2.465
232 2H5* G 4 2H5* G 4 5.944 -23.876 -2.913
233 H4* G 4 H4* G 4 4.460 -24.346 -4.841
234 H3* G 4 H3* G 4 4.611 -21.407 -3.970
235 H2* G 4 H2* G 4 3.278 -20.945 -5.942
236 2HO* G 4 2HO* G 4 4.303 -22.272 -7.430
237 H1* G 4 H1* G 4 1.554 -23.103 -5.610
238 H8 G 4 H8 G 4 2.309 -21.573 -2.220
239 H1 G 4 H1 G 4 -2.042 -18.296 -5.619
240 1H2 G 4 1H2 G 4 -2.033 -18.995 -7.736
241 2H2 G 4 2H2 G 4 -1.128 -20.410 -8.228
242 1H5* G 5 1H5* G 5 5.934 -21.435 -8.100
243 2H5* G 5 2H5* G 5 7.100 -20.121 -8.349
244 H4* G 5 H4* G 5 4.990 -19.954 -9.722
245 H3* G 5 H3* G 5 5.613 -17.677 -7.760
246 H2* G 5 H2* G 5 3.713 -16.554 -8.765
247 2HO* G 5 2HO* G 5 4.496 -17.963 -10.891
248 H1* G 5 H1* G 5 2.100 -18.829 -8.894
249 H8 G 5 H8 G 5 3.987 -18.756 -5.596
250 H1 G 5 H1 G 5 -1.149 -14.903 -5.720
251 1H2 G 5 1H2 G 5 -1.870 -14.670 -7.815
252 2H2 G 5 2H2 G 5 -1.224 -15.639 -9.121
253 1H5* G 6 1H5* G 6 5.132 -15.904 -11.441
254 2H5* G 6 2H5* G 6 6.411 -14.739 -11.840
255 H4* G 6 H4* G 6 4.272 -13.637 -12.048
256 H3* G 6 H3* G 6 5.749 -12.783 -9.498
257 H2* G 6 H2* G 6 3.940 -11.213 -9.168
258 2HO* G 6 2HO* G 6 3.781 -10.480 -11.316
259 H1* G 6 H1* G 6 1.909 -12.972 -9.909
260 H8 G 6 H8 G 6 4.643 -14.651 -7.815
261 H1 G 6 H1 G 6 0.203 -11.534 -4.382
262 1H2 G 6 1H2 G 6 -1.051 -10.277 -5.735
263 2H2 G 6 2H2 G 6 -0.917 -10.390 -7.475
264 1H5* A 7 1H5* A 7 5.106 -9.072 -11.833
265 2H5* A 7 2H5* A 7 6.367 -7.912 -11.373
266 H4* A 7 H4* A 7 3.940 -7.254 -10.887
267 H3* A 7 H3* A 7 6.057 -7.231 -8.674
268 H2* A 7 H2* A 7 4.347 -6.404 -7.204
269 2HO* A 7 2HO* A 7 3.652 -4.820 -8.809
270 H1* A 7 H1* A 7 2.211 -7.874 -8.317
271 H8 A 7 H8 A 7 5.287 -10.028 -7.658
272 1H6 A 7 1H6 A 7 3.022 -10.744 -1.933
273 2H6 A 7 2H6 A 7 4.303 -11.198 -3.035
274 H2 A 7 H2 A 7 0.607 -7.593 -3.986
275 1H5* G 8 1H5* G 8 7.194 -2.315 -7.438
276 2H5* G 8 2H5* G 8 6.856 -3.950 -6.832
277 H4* G 8 H4* G 8 4.791 -1.731 -7.024
278 H3* G 8 H3* G 8 6.575 -2.579 -4.699
279 H2* G 8 H2* G 8 4.703 -2.414 -3.211
280 2HO* G 8 2HO* G 8 3.837 -0.662 -5.206
281 H1* G 8 H1* G 8 2.743 -3.405 -4.922
282 H8 G 8 H8 G 8 5.678 -5.651 -5.438
283 H1 G 8 H1 G 8 2.670 -6.756 0.125
284 1H2 G 8 1H2 G 8 1.235 -5.118 0.550
285 2H2 G 8 2H2 G 8 1.102 -3.710 -0.481
286 1H5* A 9 1H5* A 9 8.466 2.685 -3.409
287 2H5* A 9 2H5* A 9 8.783 0.965 -3.103
288 H4* A 9 H4* A 9 7.714 2.118 -1.176
289 H3* A 9 H3* A 9 6.219 -0.164 -2.541
290 H2* A 9 H2* A 9 4.365 0.181 -1.057
291 2HO* A 9 2HO* A 9 5.614 0.370 0.849
292 H1* A 9 H1* A 9 4.377 2.944 -1.046
293 H8 A 9 H8 A 9 5.186 1.265 -4.431
294 1H6 A 9 1H6 A 9 -0.896 1.696 -5.535
295 2H6 A 9 2H6 A 9 0.651 1.214 -6.195
296 H2 A 9 H2 A 9 -0.178 2.949 -1.312
297 1H5* C 10 1H5* C 10 6.431 -3.911 1.493
298 2H5* C 10 2H5* C 10 5.672 -3.292 0.012
299 H4* C 10 H4* C 10 5.973 -1.486 2.404
300 H3* C 10 H3* C 10 3.870 -3.682 2.077
301 H2* C 10 H2* C 10 2.199 -2.135 2.780
302 2HO* C 10 2HO* C 10 3.094 -1.435 4.673
303 H1* C 10 H1* C 10 3.441 0.233 1.788
304 1H4 C 10 1H4 C 10 -1.744 -0.840 -1.740
305 2H4 C 10 2H4 C 10 -0.791 -1.782 -2.866
306 H5 C 10 H5 C 10 1.612 -2.211 -2.509
307 H6 C 10 H6 C 10 3.453 -1.982 -0.924
308 1H5* G 11 1H5* G 11 2.159 -5.580 6.320
309 2H5* G 11 2H5* G 11 1.900 -5.586 4.564
310 H4* G 11 H4* G 11 0.534 -3.869 6.654
311 H3* G 11 H3* G 11 -0.433 -5.956 4.645
312 H2* G 11 H2* G 11 -2.437 -4.677 4.354
313 2HO* G 11 2HO* G 11 -2.996 -4.435 6.502
314 H1* G 11 H1* G 11 -1.312 -2.113 4.733
315 H8 G 11 H8 G 11 0.745 -3.918 2.166
316 H1 G 11 H1 G 11 -4.829 -1.817 -0.164
317 1H2 G 11 1H2 G 11 -6.193 -1.253 1.489
318 2H2 G 11 2H2 G 11 -5.656 -1.219 3.155
319 1H5* U 12 1H5* U 12 -2.509 -8.743 5.635
320 2H5* U 12 2H5* U 12 -1.441 -9.551 4.467
321 H4* U 12 H4* U 12 -2.889 -6.929 4.240
322 H3* U 12 H3* U 12 -2.620 -9.398 2.480
323 H2* U 12 H2* U 12 -2.539 -8.046 0.498
324 2HO* U 12 2HO* U 12 -3.900 -6.296 2.181
325 H1* U 12 H1* U 12 -0.993 -5.980 1.423
326 H3 U 12 H3 U 12 1.253 -8.765 -1.565
327 H5 U 12 H5 U 12 2.222 -10.074 2.324
328 H6 U 12 H6 U 12 0.477 -8.607 3.170
329 1H5* C 13 1H5* C 13 -5.063 -7.043 0.823
330 2H5* C 13 2H5* C 13 -6.679 -7.495 0.265
331 H4* C 13 H4* C 13 -5.537 -6.675 -1.634
332 H3* C 13 H3* C 13 -5.501 -9.736 -1.668
333 H2* C 13 H2* C 13 -4.432 -9.522 -3.833
334 2HO* C 13 2HO* C 13 -5.957 -7.666 -4.314
335 H1* C 13 H1* C 13 -2.765 -7.411 -3.124
336 1H4 C 13 1H4 C 13 0.835 -12.614 -2.357
337 2H4 C 13 2H4 C 13 -0.018 -13.060 -0.897
338 H5 C 13 H5 C 13 -1.978 -11.811 -0.083
339 H6 C 13 H6 C 13 -3.450 -9.916 -0.524
340 1H5* C 14 1H5* C 14 -7.387 -8.587 -5.199
341 2H5* C 14 2H5* C 14 -8.818 -9.543 -5.634
342 H4* C 14 H4* C 14 -7.189 -9.685 -7.424
343 H3* C 14 H3* C 14 -7.359 -12.269 -5.780
344 H2* C 14 H2* C 14 -5.812 -13.199 -7.388
345 2HO* C 14 2HO* C 14 -6.605 -12.521 -9.318
346 H1* C 14 H1* C 14 -4.217 -10.924 -7.605
347 1H4 C 14 1H4 C 14 -1.210 -14.659 -3.403
348 2H4 C 14 2H4 C 14 -2.301 -14.174 -2.124
349 H5 C 14 H5 C 14 -4.268 -12.750 -2.540
350 H6 C 14 H6 C 14 -5.505 -11.519 -4.244
351 1H5* C 15 1H5* C 15 -8.769 -13.737 -9.969
352 2H5* C 15 2H5* C 15 -9.559 -15.262 -9.517
353 H4* C 15 H4* C 15 -7.373 -15.296 -10.982
354 H3* C 15 H3* C 15 -7.818 -17.126 -8.559
355 H2* C 15 H2* C 15 -5.704 -18.146 -9.175
356 2HO* C 15 2HO* C 15 -5.782 -18.346 -11.346
357 H1* C 15 H1* C 15 -4.412 -15.754 -9.768
358 1H4 C 15 1H4 C 15 -2.795 -17.139 -3.759
359 2H4 C 15 2H4 C 15 -4.283 -16.442 -3.159
360 H5 C 15 H5 C 15 -6.033 -15.577 -4.663
361 H6 C 15 H6 C 15 -6.685 -15.298 -6.997
362 1H5* A 16 1H5* A 16 -7.390 -19.756 -11.796
363 2H5* A 16 2H5* A 16 -8.596 -21.056 -11.865
364 H4* A 16 H4* A 16 -6.417 -22.068 -11.791
365 H3* A 16 H3* A 16 -7.866 -22.260 -9.098
366 H2* A 16 H2* A 16 -5.957 -23.524 -8.309
367 2HO* A 16 2HO* A 16 -5.598 -24.851 -10.075
368 H1* A 16 H1* A 16 -4.030 -21.906 -9.434
369 H8 A 16 H8 A 16 -6.966 -19.806 -8.192
370 1H6 A 16 1H6 A 16 -4.139 -19.857 -2.681
371 2H6 A 16 2H6 A 16 -5.498 -19.234 -3.591
372 H2 A 16 H2 A 16 -2.025 -22.760 -5.331
373 1H5* C 17 1H5* C 17 -6.944 -26.533 -10.056
374 2H5* C 17 2H5* C 17 -8.296 -27.456 -9.370
375 H4* C 17 H4* C 17 -6.009 -27.999 -8.423
376 H3* C 17 H3* C 17 -8.234 -27.035 -6.548
377 H2* C 17 H2* C 17 -6.676 -27.373 -4.734
378 2HO* C 17 2HO* C 17 -5.959 -29.438 -5.664
379 H1* C 17 H1* C 17 -4.427 -26.394 -6.060
380 1H4 C 17 1H4 C 17 -6.538 -21.467 -2.621
381 2H4 C 17 2H4 C 17 -7.835 -21.164 -3.756
382 H5 C 17 H5 C 17 -8.190 -22.567 -5.749
383 H6 C 17 H6 C 17 -7.465 -24.587 -6.911
384 1H5* C 18 1H5* C 18 -7.545 -31.156 -4.567
385 2H5* C 18 2H5* C 18 -9.131 -31.304 -3.782
386 H4* C 18 H4* C 18 -6.957 -30.973 -2.327
387 H3* C 18 H3* C 18 -9.539 -29.393 -1.905
388 H2* C 18 H2* C 18 -8.485 -28.422 0.007
389 2HO* C 18 2HO* C 18 -6.710 -29.343 0.972
390 H1* C 18 H1* C 18 -5.943 -28.210 -1.189
391 1H4 C 18 1H4 C 18 -8.481 -22.384 -1.598
392 2H4 C 18 2H4 C 18 -9.491 -22.868 -2.942
393 H5 C 18 H5 C 18 -9.480 -25.164 -3.833
394 H6 C 18 H6 C 18 -8.631 -27.425 -3.485
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