NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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22796 |
2jr4   |
15319 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H5* C 27 1H5' C 27 43.610 13.488 0.052
2 2H5* C 27 2H5' C 27 43.234 11.920 -0.685
3 H4* C 27 H4' C 27 43.673 13.341 -2.476
4 H3* C 27 H3' C 27 46.042 11.579 -1.918
5 H2* C 27 H2' C 27 47.208 12.645 -3.737
6 2HO* C 27 2HO' C 27 46.045 13.355 -5.367
7 H1* C 27 H1' C 27 46.475 15.242 -3.043
8 1H4 C 27 H42 C 27 52.068 14.229 -0.172
9 2H4 C 27 H41 C 27 51.217 13.689 1.258
10 H5 C 27 H5 C 27 48.822 13.382 1.330
11 H6 C 27 H6 C 27 46.749 13.551 0.051
12 H5T C 27 H5T C 27 44.797 12.022 1.163
13 1H5* C 28 H5' C 28 45.533 11.506 -5.869
14 2H5* C 28 'H5' C 28 45.333 9.876 -6.538
15 H4* C 28 H4' C 28 46.940 10.890 -7.885
16 H3* C 28 H3' C 28 48.296 9.069 -5.904
17 H2* C 28 H2' C 28 50.394 9.661 -6.938
18 2HO* C 28 'HO2 C 28 50.392 10.198 -8.993
19 H1* C 28 H1' C 28 49.840 12.393 -7.054
20 1H4 C 28 H42 C 28 52.987 11.512 -1.596
21 2H4 C 28 H41 C 28 51.450 11.322 -0.766
22 H5 C 28 H5 C 28 49.344 11.201 -1.917
23 H6 C 28 H6 C 28 48.253 11.287 -4.096
24 1H5* U 29 H5' U 29 49.874 8.345 -9.587
25 2H5* U 29 'H5' U 29 49.898 6.618 -9.993
26 H4* U 29 H4' U 29 52.040 7.502 -10.470
27 H3* U 29 H3' U 29 52.068 5.785 -7.993
28 H2* U 29 H2' U 29 54.437 6.188 -7.848
29 2HO* U 29 'HO2 U 29 55.560 6.697 -9.578
30 H1* U 29 H1' U 29 54.257 8.924 -8.361
31 H3 U 29 H3 U 29 55.285 8.164 -3.938
32 H5 U 29 H5 U 29 51.092 8.354 -4.193
33 H6 U 29 H6 U 29 51.314 8.249 -6.582
34 1H5* C 30 H5' C 30 55.337 4.921 -10.280
35 2H5* C 30 'H5' C 30 55.491 3.176 -10.562
36 H4* C 30 H4' C 30 57.605 4.050 -9.856
37 H3* C 30 H3' C 30 56.266 2.272 -7.835
38 H2* C 30 H2' C 30 58.159 2.597 -6.377
39 2HO* C 30 'HO2 C 30 60.066 3.048 -7.208
40 H1* C 30 H1' C 30 58.342 5.352 -6.788
41 1H4 C 30 H42 C 30 54.716 4.471 -1.623
42 2H4 C 30 H41 C 30 53.285 4.509 -2.628
43 H5 C 30 H5 C 30 53.388 4.600 -5.041
44 H6 C 30 H6 C 30 54.877 4.699 -6.969
45 1H5* C 31 H5' C 31 60.144 1.279 -7.963
46 2H5* C 31 'H5' C 31 60.393 -0.428 -8.382
47 H4* C 31 H4' C 31 61.787 -0.039 -6.554
48 H3* C 31 H3' C 31 59.288 -1.474 -5.695
49 H2* C 31 H2' C 31 60.091 -1.449 -3.429
50 2HO* C 31 'HO2 C 31 62.524 -0.305 -4.376
51 H1* C 31 H1' C 31 61.062 1.189 -3.510
52 1H4 C 31 H42 C 31 55.268 1.472 -0.907
53 2H4 C 31 H41 C 31 54.555 1.648 -2.497
54 H5 C 31 H5 C 31 55.862 1.501 -4.536
55 H6 C 31 H6 C 31 58.086 1.103 -5.451
56 1H5* C 32 H5' C 32 61.933 -3.090 -3.369
57 2H5* C 32 'H5' C 32 61.690 -4.843 -3.239
58 H4* C 32 H4' C 32 61.424 -3.514 -1.120
59 H3* C 32 H3' C 32 59.382 -5.476 -2.087
60 H2* C 32 H2' C 32 57.917 -4.897 -0.268
61 2HO* C 32 'HO2 C 32 58.711 -3.349 1.331
62 H1* C 32 H1' C 32 58.223 -2.145 -0.486
63 1H4 C 32 H42 C 32 53.298 -3.477 -4.278
64 2H4 C 32 H41 C 32 54.396 -3.712 -5.618
65 H5 C 32 H5 C 32 56.805 -3.684 -5.367
66 H6 C 32 H6 C 32 58.642 -3.427 -3.782
67 1H5* U 33 H5' U 33 58.242 -6.721 1.173
68 2H5* U 33 'H5' U 33 59.328 -8.082 1.516
69 H4* U 33 H4' U 33 57.212 -8.894 2.012
70 H3* U 33 H3' U 33 58.144 -9.872 -0.658
71 H2* U 33 H2' U 33 56.031 -10.963 -1.029
72 2HO* U 33 'HO2 U 33 55.771 -10.500 1.748
73 H1* U 33 H1' U 33 54.442 -8.850 -0.177
74 H3 U 33 H3 U 33 54.285 -9.029 -4.752
75 H5 U 33 H5 U 33 57.537 -6.550 -3.795
76 H6 U 33 H6 U 33 57.286 -7.235 -1.502
77 1H5* U 34 H5' U 34 56.637 -14.028 0.755
78 2H5* U 34 'H5' U 34 58.290 -14.673 0.806
79 H4* U 34 H4' U 34 57.888 -15.078 -1.744
80 H3* U 34 H3' U 34 55.083 -14.657 -0.804
81 H2* U 34 H2' U 34 54.352 -16.646 -1.939
82 2HO* U 34 'HO2 U 34 55.441 -16.687 -3.837
83 H1* U 34 H1' U 34 56.431 -18.275 -1.106
84 H3 U 34 H3 U 34 52.557 -19.120 1.277
85 H5 U 34 H5 U 34 54.870 -16.463 3.565
86 H6 U 34 H6 U 34 56.291 -16.167 1.645
87 1H5* A 35 H5' A 35 52.489 -12.219 -1.756
88 2H5* A 35 'H5' A 35 53.690 -12.780 -0.577
89 H4* A 35 H4' A 35 51.144 -14.296 -0.987
90 H3* A 35 H3' A 35 51.344 -11.680 0.457
91 H2* A 35 H2' A 35 50.081 -12.575 2.299
92 2HO* A 35 'HO2 A 35 48.799 -13.902 0.611
93 H1* A 35 H1' A 35 51.438 -14.995 2.453
94 H8 A 35 H8 A 35 54.334 -13.070 1.656
95 1H6 A 35 H62 A 35 54.201 -10.473 7.275
96 2H6 A 35 H61 A 35 55.167 -10.744 5.842
97 H2 A 35 H2 A 35 50.245 -12.461 6.566
98 1H5* C 36 H5' C 36 46.744 -10.210 -0.407
99 2H5* C 36 'H5' C 36 47.453 -8.630 -0.021
100 H4* C 36 H4' C 36 45.687 -10.088 1.535
101 H3* C 36 H3' C 36 47.374 -7.672 2.108
102 H2* C 36 H2' C 36 46.859 -7.885 4.448
103 2HO* C 36 'HO2 C 36 45.230 -10.139 4.027
104 H1* C 36 H1' C 36 47.206 -10.658 4.566
105 1H4 C 36 H42 C 36 52.836 -8.207 6.217
106 2H4 C 36 H41 C 36 53.338 -8.258 4.542
107 H5 C 36 H5 C 36 51.838 -8.856 2.736
108 H6 C 36 H6 C 36 49.560 -9.524 2.175
109 1H5* A 37 H5' A 37 46.069 -3.603 3.413
110 2H5* A 37 'H5' A 37 47.445 -4.338 2.566
111 H4* A 37 H4' A 37 46.870 -4.338 5.521
112 H3* A 37 H3' A 37 48.905 -2.915 3.851
113 H2* A 37 H2' A 37 50.590 -3.303 5.525
114 2HO* A 37 'HO2 A 37 48.634 -4.559 7.164
115 H1* A 37 H1' A 37 49.970 -5.973 5.970
116 H8 A 37 H8 A 37 49.318 -5.737 2.377
117 1H6 A 37 H62 A 37 55.429 -5.933 1.396
118 2H6 A 37 H61 A 37 53.851 -6.050 0.649
119 H2 A 37 H2 A 37 54.744 -5.197 5.767
120 1H5* A 38 H5' A 38 48.923 -0.694 8.096
121 2H5* A 38 'H5' A 38 49.559 0.870 7.549
122 H4* A 38 H4' A 38 50.812 -0.420 9.388
123 H3* A 38 H3' A 38 52.093 0.959 7.056
124 H2* A 38 H2' A 38 54.250 0.147 7.753
125 2HO* A 38 'HO2 A 38 54.408 -1.023 9.768
126 H1* A 38 H1' A 38 53.427 -2.460 8.289
127 H8 A 38 H8 A 38 51.525 -1.106 5.320
128 1H6 A 38 H62 A 38 56.236 -3.123 1.843
129 2H6 A 38 H61 A 38 54.615 -2.465 1.821
130 H2 A 38 H2 A 38 57.430 -3.483 6.151
131 1H5* G 39 H5' G 39 54.713 1.604 9.610
132 2H5* G 39 'H5' G 39 55.149 3.311 9.822
133 H4* G 39 H4' G 39 57.108 2.059 9.264
134 H3* G 39 H3' G 39 56.172 3.903 7.077
135 H2* G 39 H2' G 39 58.102 3.220 5.792
136 2HO* G 39 'HO2 G 39 58.862 1.902 8.212
137 H1* G 39 H1' G 39 57.788 0.498 6.332
138 H8 G 39 H8 G 39 54.322 1.683 5.997
139 H1 G 39 H1 G 39 57.325 1.219 0.345
140 1H2 G 39 H22 G 39 59.479 1.009 0.633
141 2H2 G 39 H21 G 39 60.200 0.948 2.232
142 1H5* G 40 H5' G 40 60.087 4.481 7.388
143 2H5* G 40 'H5' G 40 60.526 6.175 7.681
144 H4* G 40 H4' G 40 61.899 5.449 5.931
145 H3* G 40 H3' G 40 59.647 7.143 4.866
146 H2* G 40 H2' G 40 60.597 6.872 2.666
147 2HO* G 40 'HO2 G 40 62.750 5.544 4.002
148 H1* G 40 H1' G 40 61.059 4.131 2.939
149 H8 G 40 H8 G 40 57.846 4.632 4.668
150 H1 G 40 H1 G 40 57.288 4.726 -1.719
151 1H2 G 40 H22 G 40 59.261 4.982 -2.646
152 2H2 G 40 H21 G 40 60.731 5.092 -1.695
153 1H5* A 41 H5' A 41 63.214 8.215 3.236
154 2H5* A 41 'H5' A 41 63.518 9.961 3.253
155 H4* A 41 H4' A 41 63.992 9.128 1.073
156 H3* A 41 H3' A 41 61.495 10.802 1.197
157 H2* A 41 H2' A 41 61.246 10.488 -1.183
158 2HO* A 41 'HO2 A 41 63.832 9.278 -1.002
159 H1* A 41 H1' A 41 61.778 7.748 -1.130
160 H8 A 41 H8 A 41 59.837 8.376 1.975
161 1H6 A 41 H62 A 41 54.728 8.306 -1.498
162 2H6 A 41 H61 A 41 55.350 8.407 0.140
163 H2 A 41 H2 A 41 58.258 8.388 -4.245
164 1H5* G 42 H5' G 42 63.458 11.950 -2.093
165 2H5* G 42 'H5' G 42 63.805 13.689 -2.082
166 H4* G 42 H4' G 42 62.900 13.216 -4.193
167 H3* G 42 H3' G 42 60.847 14.545 -2.432
168 H2* G 42 H2' G 42 59.325 14.475 -4.301
169 2HO* G 42 'HO2 G 42 61.607 13.585 -5.780
170 H1* G 42 H1' G 42 59.961 11.841 -5.028
171 H8 G 42 H8 G 42 59.954 11.800 -1.339
172 H1 G 42 H1 G 42 54.053 11.924 -3.853
173 1H2 G 42 H22 G 42 54.146 12.390 -5.996
174 2H2 G 42 H21 G 42 55.675 12.702 -6.801
175 1H5* G 43 H5' G 43 60.643 16.289 -6.053
176 2H5* G 43 'H5' G 43 60.777 18.056 -5.952
177 H4* G 43 H4' G 43 58.908 17.569 -7.311
178 H3* G 43 H3' G 43 58.085 18.520 -4.574
179 H2* G 43 H2' G 43 55.789 18.354 -5.285
180 2HO* G 43 'HO2 G 43 56.920 17.924 -7.878
181 H1* G 43 H1' G 43 56.134 15.898 -6.629
182 H8 G 43 H8 G 43 58.088 15.582 -3.507
183 H1 G 43 H1 G 43 51.767 14.956 -2.590
184 1H2 G 43 H22 G 43 50.668 15.631 -4.377
185 2H2 G 43 H21 G 43 51.500 16.223 -5.803
186 H3T G 43 H3T G 43 59.073 19.665 -6.618
Start of MODEL 2
1 1H5* C 27 1H5' C 27 43.801 13.367 0.535
2 2H5* C 27 2H5' C 27 43.433 11.800 -0.210
3 H4* C 27 H4' C 27 43.879 13.232 -1.992
4 H3* C 27 H3' C 27 46.244 11.467 -1.430
5 H2* C 27 H2' C 27 47.424 12.543 -3.234
6 2HO* C 27 2HO' C 27 46.276 13.260 -4.869
7 H1* C 27 H1' C 27 46.684 15.137 -2.534
8 1H4 C 27 H42 C 27 52.260 14.114 0.365
9 2H4 C 27 H41 C 27 51.400 13.568 1.788
10 H5 C 27 H5 C 27 49.005 13.259 1.844
11 H6 C 27 H6 C 27 46.940 13.430 0.553
12 H5T C 27 H5T C 27 45.140 10.975 0.692
13 1H5* C 28 H5' C 28 45.762 11.430 -5.399
14 2H5* C 28 'H5' C 28 45.568 9.798 -6.071
15 H4* C 28 H4' C 28 47.180 10.821 -7.408
16 H3* C 28 H3' C 28 48.524 8.988 -5.429
17 H2* C 28 H2' C 28 50.629 9.582 -6.445
18 2HO* C 28 'HO2 C 28 50.634 10.113 -8.500
19 H1* C 28 H1' C 28 50.080 12.317 -6.550
20 1H4 C 28 H42 C 28 53.183 11.410 -1.070
21 2H4 C 28 H41 C 28 51.639 11.217 -0.253
22 H5 C 28 H5 C 28 49.544 11.098 -1.422
23 H6 C 28 H6 C 28 48.469 11.194 -3.610
24 1H5* U 29 H5' U 29 50.126 8.292 -9.108
25 2H5* U 29 'H5' U 29 50.152 6.569 -9.529
26 H4* U 29 H4' U 29 52.295 7.458 -9.989
27 H3* U 29 H3' U 29 52.312 5.718 -7.527
28 H2* U 29 H2' U 29 54.679 6.126 -7.361
29 2HO* U 29 'HO2 U 29 55.815 6.646 -9.079
30 H1* U 29 H1' U 29 54.497 8.864 -7.855
31 H3 U 29 H3 U 29 55.502 8.082 -3.431
32 H5 U 29 H5 U 29 51.309 8.258 -3.709
33 H6 U 29 H6 U 29 51.545 8.168 -6.099
34 1H5* C 30 H5' C 30 55.613 4.881 -9.788
35 2H5* C 30 'H5' C 30 55.767 3.138 -10.080
36 H4* C 30 H4' C 30 57.873 4.003 -9.339
37 H3* C 30 H3' C 30 56.505 2.214 -7.349
38 H2* C 30 H2' C 30 58.380 2.523 -5.866
39 2HO* C 30 'HO2 C 30 60.298 2.978 -6.668
40 H1* C 30 H1' C 30 58.572 5.280 -6.253
41 1H4 C 30 H42 C 30 54.873 4.372 -1.146
42 2H4 C 30 H41 C 30 53.457 4.420 -2.172
43 H5 C 30 H5 C 30 53.594 4.525 -4.581
44 H6 C 30 H6 C 30 55.110 4.634 -6.488
45 1H5* C 31 H5' C 31 60.398 1.197 -7.440
46 2H5* C 31 'H5' C 31 60.626 -0.514 -7.854
47 H4* C 31 H4' C 31 62.004 -0.131 -6.009
48 H3* C 31 H3' C 31 59.485 -1.553 -5.187
49 H2* C 31 H2' C 31 60.266 -1.547 -2.913
50 2HO* C 31 'HO2 C 31 62.685 -0.285 -3.610
51 H1* C 31 H1' C 31 61.241 1.090 -2.968
52 1H4 C 31 H42 C 31 55.408 1.367 -0.451
53 2H4 C 31 H41 C 31 54.720 1.555 -2.051
54 H5 C 31 H5 C 31 56.057 1.417 -4.070
55 H6 C 31 H6 C 31 58.293 1.020 -4.954
56 1H5* C 32 H5' C 32 61.825 -3.560 -3.178
57 2H5* C 32 'H5' C 32 61.386 -5.267 -2.972
58 H4* C 32 H4' C 32 61.115 -3.777 -0.958
59 H3* C 32 H3' C 32 58.954 -5.592 -1.954
60 H2* C 32 H2' C 32 57.445 -4.758 -0.276
61 2HO* C 32 'HO2 C 32 58.551 -2.953 1.096
62 H1* C 32 H1' C 32 58.038 -2.071 -0.641
63 1H4 C 32 H42 C 32 53.253 -3.181 -4.675
64 2H4 C 32 H41 C 32 54.403 -3.626 -5.917
65 H5 C 32 H5 C 32 56.781 -3.818 -5.500
66 H6 C 32 H6 C 32 58.531 -3.625 -3.811
67 1H5* U 33 H5' U 33 57.206 -6.958 0.480
68 2H5* U 33 'H5' U 33 58.030 -8.458 0.948
69 H4* U 33 H4' U 33 55.841 -9.108 0.536
70 H3* U 33 H3' U 33 57.611 -9.793 -1.780
71 H2* U 33 H2' U 33 55.713 -10.607 -3.015
72 2HO* U 33 'HO2 U 33 53.588 -10.427 -1.773
73 H1* U 33 H1' U 33 54.010 -8.494 -2.382
74 H3 U 33 H3 U 33 55.204 -7.817 -6.711
75 H5 U 33 H5 U 33 58.380 -6.258 -4.447
76 H6 U 33 H6 U 33 57.356 -7.216 -2.493
77 1H5* U 34 H5' U 34 55.551 -13.136 -2.126
78 2H5* U 34 'H5' U 34 56.367 -14.151 -0.920
79 H4* U 34 H4' U 34 57.248 -14.587 -3.683
80 H3* U 34 H3' U 34 54.349 -14.989 -3.029
81 H2* U 34 H2' U 34 54.405 -17.140 -4.106
82 2HO* U 34 'HO2 U 34 55.669 -17.192 -5.824
83 H1* U 34 H1' U 34 56.837 -17.955 -3.002
84 H3 U 34 H3 U 34 53.007 -19.996 -1.230
85 H5 U 34 H5 U 34 54.403 -17.129 1.499
86 H6 U 34 H6 U 34 55.852 -16.296 -0.233
87 1H5* A 35 H5' A 35 52.078 -11.909 -3.412
88 2H5* A 35 'H5' A 35 53.342 -12.378 -2.257
89 H4* A 35 H4' A 35 50.699 -13.796 -2.438
90 H3* A 35 H3' A 35 51.271 -11.244 -0.986
91 H2* A 35 H2' A 35 50.139 -12.070 0.971
92 2HO* A 35 'HO2 A 35 48.964 -13.685 -0.908
93 H1* A 35 H1' A 35 51.301 -14.591 0.956
94 H8 A 35 H8 A 35 54.235 -12.886 -0.166
95 1H6 A 35 H62 A 35 54.980 -10.404 5.457
96 2H6 A 35 H61 A 35 55.743 -10.722 3.914
97 H2 A 35 H2 A 35 50.820 -12.065 5.207
98 1H5* C 36 H5' C 36 46.536 -10.498 -0.625
99 2H5* C 36 'H5' C 36 46.813 -8.773 -0.932
100 H4* C 36 H4' C 36 45.759 -9.570 1.312
101 H3* C 36 H3' C 36 47.773 -7.369 0.971
102 H2* C 36 H2' C 36 47.848 -7.083 3.358
103 2HO* C 36 'HO2 C 36 45.397 -8.347 3.152
104 H1* C 36 H1' C 36 47.927 -9.811 3.975
105 1H4 C 36 H42 C 36 54.032 -8.084 3.765
106 2H4 C 36 H41 C 36 54.056 -8.352 2.037
107 H5 C 36 H5 C 36 52.072 -8.901 0.762
108 H6 C 36 H6 C 36 49.669 -9.305 0.889
109 1H5* A 37 H5' A 37 45.581 -4.925 3.744
110 2H5* A 37 'H5' A 37 46.143 -3.360 3.127
111 H4* A 37 H4' A 37 47.053 -4.399 5.379
112 H3* A 37 H3' A 37 48.501 -2.688 3.393
113 H2* A 37 H2' A 37 50.567 -3.013 4.589
114 2HO* A 37 'HO2 A 37 48.876 -3.404 6.637
115 H1* A 37 H1' A 37 50.288 -5.754 4.927
116 H8 A 37 H8 A 37 48.734 -5.074 1.620
117 1H6 A 37 H62 A 37 54.436 -5.135 -0.792
118 2H6 A 37 H61 A 37 52.725 -5.140 -1.155
119 H2 A 37 H2 A 37 54.816 -5.041 3.675
120 1H5* A 38 H5' A 38 48.816 -0.393 7.796
121 2H5* A 38 'H5' A 38 49.761 1.019 7.282
122 H4* A 38 H4' A 38 50.629 -0.698 9.107
123 H3* A 38 H3' A 38 52.224 0.885 7.122
124 H2* A 38 H2' A 38 54.225 -0.267 7.816
125 2HO* A 38 'HO2 A 38 54.034 -1.817 9.588
126 H1* A 38 H1' A 38 53.104 -2.812 7.813
127 H8 A 38 H8 A 38 51.555 -0.786 5.035
128 1H6 A 38 H62 A 38 56.324 -2.601 1.526
129 2H6 A 38 H61 A 38 54.768 -1.801 1.531
130 H2 A 38 H2 A 38 57.170 -3.815 5.759
131 1H5* G 39 H5' G 39 54.647 1.453 10.020
132 2H5* G 39 'H5' G 39 55.084 3.155 10.271
133 H4* G 39 H4' G 39 57.055 1.915 9.747
134 H3* G 39 H3' G 39 56.174 3.771 7.547
135 H2* G 39 H2' G 39 58.128 3.088 6.301
136 2HO* G 39 'HO2 G 39 58.838 1.840 8.765
137 H1* G 39 H1' G 39 57.801 0.363 6.820
138 H8 G 39 H8 G 39 54.345 1.560 6.421
139 H1 G 39 H1 G 39 57.453 1.102 0.829
140 1H2 G 39 H22 G 39 59.603 0.891 1.156
141 2H2 G 39 H21 G 39 60.291 0.827 2.770
142 1H5* G 40 H5' G 40 60.088 4.329 7.939
143 2H5* G 40 'H5' G 40 60.524 6.021 8.253
144 H4* G 40 H4' G 40 61.933 5.305 6.526
145 H3* G 40 H3' G 40 59.707 7.010 5.430
146 H2* G 40 H2' G 40 60.694 6.750 3.246
147 2HO* G 40 'HO2 G 40 62.820 5.412 4.613
148 H1* G 40 H1' G 40 61.146 4.007 3.506
149 H8 G 40 H8 G 40 57.907 4.510 5.188
150 H1 G 40 H1 G 40 57.447 4.624 -1.207
151 1H2 G 40 H22 G 40 59.434 4.878 -2.102
152 2H2 G 40 H21 G 40 60.891 4.982 -1.130
153 1H5* A 41 H5' A 41 63.304 8.088 3.873
154 2H5* A 41 'H5' A 41 63.612 9.833 3.906
155 H4* A 41 H4' A 41 64.122 9.016 1.730
156 H3* A 41 H3' A 41 61.627 10.695 1.822
157 H2* A 41 H2' A 41 61.415 10.394 -0.564
158 2HO* A 41 'HO2 A 41 63.999 9.189 -0.345
159 H1* A 41 H1' A 41 61.947 7.653 -0.520
160 H8 A 41 H8 A 41 59.955 8.263 2.555
161 1H6 A 41 H62 A 41 54.902 8.196 -1.001
162 2H6 A 41 H61 A 41 55.500 8.293 0.647
163 H2 A 41 H2 A 41 58.478 8.307 -3.689
164 1H5* G 42 H5' G 42 63.644 11.844 -1.442
165 2H5* G 42 'H5' G 42 63.987 13.585 -1.419
166 H4* G 42 H4' G 42 63.114 13.113 -3.545
167 H3* G 42 H3' G 42 61.036 14.441 -1.813
168 H2* G 42 H2' G 42 59.545 14.379 -3.710
169 2HO* G 42 'HO2 G 42 61.835 13.454 -5.156
170 H1* G 42 H1' G 42 60.185 11.743 -4.424
171 H8 G 42 H8 G 42 60.124 11.702 -0.737
172 H1 G 42 H1 G 42 54.260 11.837 -3.331
173 1H2 G 42 H22 G 42 54.380 12.312 -5.468
174 2H2 G 42 H21 G 42 55.919 12.623 -6.254
175 1H5* G 43 H5' G 43 60.873 16.212 -5.449
176 2H5* G 43 'H5' G 43 61.000 17.978 -5.314
177 H4* G 43 H4' G 43 59.149 17.500 -6.705
178 H3* G 43 H3' G 43 58.298 18.429 -3.970
179 H2* G 43 H2' G 43 56.009 18.269 -4.704
180 2HO* G 43 'HO2 G 43 57.193 17.918 -7.283
181 H1* G 43 H1' G 43 56.364 15.823 -6.062
182 H8 G 43 H8 G 43 58.296 15.486 -2.929
183 H1 G 43 H1 G 43 51.968 14.857 -2.059
184 1H2 G 43 H22 G 43 50.883 15.544 -3.849
185 2H2 G 43 H21 G 43 51.723 16.142 -5.266
186 H3T G 43 H3T G 43 58.853 19.509 -6.439
Start of MODEL 3
1 1H5* C 27 1H5' C 27 43.597 13.916 -0.971
2 2H5* C 27 2H5' C 27 43.193 12.327 -1.647
3 H4* C 27 H4' C 27 43.710 13.659 -3.487
4 H3* C 27 H3' C 27 46.010 11.853 -2.805
5 H2* C 27 H2' C 27 47.248 12.806 -4.639
6 2HO* C 27 2HO' C 27 46.143 13.479 -6.324
7 H1* C 27 H1' C 27 46.576 15.453 -4.074
8 1H4 C 27 H42 C 27 52.080 14.408 -1.046
9 2H4 C 27 H41 C 27 51.185 13.950 0.388
10 H5 C 27 H5 C 27 48.781 13.712 0.422
11 H6 C 27 H6 C 27 46.740 13.885 -0.907
12 H5T C 27 H5T C 27 45.246 13.068 0.007
13 1H5* C 28 H5' C 28 45.585 11.638 -6.775
14 2H5* C 28 'H5' C 28 45.356 9.983 -7.372
15 H4* C 28 H4' C 28 47.018 10.897 -8.728
16 H3* C 28 H3' C 28 48.283 9.127 -6.642
17 H2* C 28 H2' C 28 50.416 9.613 -7.659
18 2HO* C 28 'HO2 C 28 50.459 10.046 -9.737
19 H1* C 28 H1' C 28 49.942 12.353 -7.898
20 1H4 C 28 H42 C 28 52.956 11.620 -2.342
21 2H4 C 28 H41 C 28 51.397 11.506 -1.538
22 H5 C 28 H5 C 28 49.313 11.391 -2.727
23 H6 C 28 H6 C 28 48.267 11.416 -4.929
24 1H5* U 29 H5' U 29 49.902 8.202 -10.262
25 2H5* U 29 'H5' U 29 49.893 6.458 -10.594
26 H4* U 29 H4' U 29 52.062 7.284 -11.073
27 H3* U 29 H3' U 29 52.012 5.651 -8.540
28 H2* U 29 H2' U 29 54.384 6.017 -8.356
29 2HO* U 29 'HO2 U 29 55.553 6.438 -10.076
30 H1* U 29 H1' U 29 54.271 8.735 -8.974
31 H3 U 29 H3 U 29 55.201 8.115 -4.508
32 H5 U 29 H5 U 29 51.019 8.397 -4.850
33 H6 U 29 H6 U 29 51.283 8.193 -7.229
34 1H5* C 30 H5' C 30 55.322 4.651 -10.718
35 2H5* C 30 'H5' C 30 55.448 2.893 -10.932
36 H4* C 30 H4' C 30 57.559 3.757 -10.199
37 H3* C 30 H3' C 30 56.138 2.068 -8.160
38 H2* C 30 H2' C 30 57.996 2.411 -6.662
39 2HO* C 30 'HO2 C 30 59.932 2.804 -7.452
40 H1* C 30 H1' C 30 58.238 5.148 -7.158
41 1H4 C 30 H42 C 30 54.456 4.493 -2.066
42 2H4 C 30 H41 C 30 53.058 4.524 -3.115
43 H5 C 30 H5 C 30 53.227 4.533 -5.523
44 H6 C 30 H6 C 30 54.769 4.549 -7.412
45 1H5* C 31 H5' C 31 60.027 0.988 -8.158
46 2H5* C 31 'H5' C 31 60.228 -0.743 -8.495
47 H4* C 31 H4' C 31 61.591 -0.298 -6.649
48 H3* C 31 H3' C 31 59.047 -1.664 -5.812
49 H2* C 31 H2' C 31 59.784 -1.569 -3.525
50 2HO* C 31 'HO2 C 31 62.277 -0.836 -4.708
51 H1* C 31 H1' C 31 60.795 1.049 -3.670
52 1H4 C 31 H42 C 31 54.930 1.502 -1.262
53 2H4 C 31 H41 C 31 54.268 1.643 -2.876
54 H5 C 31 H5 C 31 55.635 1.407 -4.869
55 H6 C 31 H6 C 31 57.880 0.946 -5.699
56 1H5* C 32 H5' C 32 61.569 -3.279 -3.465
57 2H5* C 32 'H5' C 32 61.232 -4.992 -3.141
58 H4* C 32 H4' C 32 60.956 -3.282 -1.243
59 H3* C 32 H3' C 32 59.058 -5.507 -1.874
60 H2* C 32 H2' C 32 57.526 -4.723 -0.192
61 2HO* C 32 'HO2 C 32 59.515 -4.049 1.146
62 H1* C 32 H1' C 32 57.659 -2.038 -0.881
63 1H4 C 32 H42 C 32 52.920 -4.343 -4.442
64 2H4 C 32 H41 C 32 54.062 -4.708 -5.715
65 H5 C 32 H5 C 32 56.456 -4.458 -5.448
66 H6 C 32 H6 C 32 58.235 -3.808 -3.911
67 1H5* U 33 H5' U 33 58.544 -6.367 1.475
68 2H5* U 33 'H5' U 33 59.491 -7.744 2.068
69 H4* U 33 H4' U 33 57.281 -8.179 2.691
70 H3* U 33 H3' U 33 58.162 -9.834 0.361
71 H2* U 33 H2' U 33 55.958 -10.773 0.145
72 2HO* U 33 'HO2 U 33 55.585 -10.940 2.445
73 H1* U 33 H1' U 33 54.572 -8.385 0.404
74 H3 U 33 H3 U 33 54.540 -9.535 -4.022
75 H5 U 33 H5 U 33 58.050 -7.304 -3.440
76 H6 U 33 H6 U 33 57.645 -7.426 -1.072
77 1H5* U 34 H5' U 34 56.740 -12.845 0.939
78 2H5* U 34 'H5' U 34 57.713 -13.716 2.138
79 H4* U 34 H4' U 34 58.568 -14.307 -0.561
80 H3* U 34 H3' U 34 55.632 -14.628 -0.045
81 H2* U 34 H2' U 34 55.703 -16.836 -1.000
82 2HO* U 34 'HO2 U 34 57.258 -17.407 -2.373
83 H1* U 34 H1' U 34 58.032 -17.645 0.300
84 H3 U 34 H3 U 34 54.011 -19.396 1.979
85 H5 U 34 H5 U 34 55.421 -16.439 4.608
86 H6 U 34 H6 U 34 56.991 -15.785 2.905
87 1H5* A 35 H5' A 35 53.201 -12.242 -1.180
88 2H5* A 35 'H5' A 35 54.272 -12.741 0.144
89 H4* A 35 H4' A 35 51.688 -14.165 -0.383
90 H3* A 35 H3' A 35 51.951 -11.502 0.975
91 H2* A 35 H2' A 35 50.458 -12.244 2.710
92 2HO* A 35 'HO2 A 35 50.024 -14.796 1.842
93 H1* A 35 H1' A 35 51.599 -14.777 3.015
94 H8 A 35 H8 A 35 54.552 -12.677 2.440
95 1H6 A 35 H62 A 35 54.178 -10.818 8.333
96 2H6 A 35 H61 A 35 55.179 -10.849 6.899
97 H2 A 35 H2 A 35 50.365 -12.937 7.300
98 1H5* C 36 H5' C 36 47.669 -9.025 0.204
99 2H5* C 36 'H5' C 36 48.740 -8.340 1.444
100 H4* C 36 H4' C 36 46.207 -9.791 1.708
101 H3* C 36 H3' C 36 47.636 -7.676 3.276
102 H2* C 36 H2' C 36 46.534 -8.393 5.289
103 2HO* C 36 'HO2 C 36 44.738 -9.354 3.462
104 H1* C 36 H1' C 36 46.889 -11.124 4.879
105 1H4 C 36 H42 C 36 51.957 -9.216 8.238
106 2H4 C 36 H41 C 36 52.875 -9.153 6.750
107 H5 C 36 H5 C 36 51.865 -9.451 4.568
108 H6 C 36 H6 C 36 49.779 -9.884 3.379
109 1H5* A 37 H5' A 37 46.075 -4.000 5.293
110 2H5* A 37 'H5' A 37 47.451 -4.405 4.247
111 H4* A 37 H4' A 37 46.855 -5.502 6.990
112 H3* A 37 H3' A 37 48.786 -3.423 6.065
113 H2* A 37 H2' A 37 50.539 -4.354 7.419
114 2HO* A 37 'HO2 A 37 48.341 -5.619 8.654
115 H1* A 37 H1' A 37 50.069 -7.017 6.797
116 H8 A 37 H8 A 37 49.319 -5.626 3.543
117 1H6 A 37 H62 A 37 55.373 -4.726 2.600
118 2H6 A 37 H61 A 37 53.796 -4.781 1.846
119 H2 A 37 H2 A 37 54.756 -5.585 6.958
120 1H5* A 38 H5' A 38 49.856 0.084 6.345
121 2H5* A 38 'H5' A 38 50.110 -1.667 6.241
122 H4* A 38 H4' A 38 50.690 -0.618 8.885
123 H3* A 38 H3' A 38 52.065 0.744 6.603
124 H2* A 38 H2' A 38 54.200 0.432 7.655
125 2HO* A 38 'HO2 A 38 54.219 -0.502 9.837
126 H1* A 38 H1' A 38 53.770 -2.194 8.503
127 H8 A 38 H8 A 38 52.185 -1.903 5.137
128 1H6 A 38 H62 A 38 57.800 -2.905 2.725
129 2H6 A 38 H61 A 38 56.090 -2.793 2.375
130 H2 A 38 H2 A 38 58.285 -2.170 7.120
131 1H5* G 39 H5' G 39 54.014 2.117 9.236
132 2H5* G 39 'H5' G 39 54.403 3.850 9.217
133 H4* G 39 H4' G 39 56.394 2.487 8.918
134 H3* G 39 H3' G 39 55.613 4.202 6.566
135 H2* G 39 H2' G 39 57.597 3.409 5.438
136 2HO* G 39 'HO2 G 39 58.187 2.178 7.952
137 H1* G 39 H1' G 39 57.185 0.733 6.099
138 H8 G 39 H8 G 39 53.756 1.918 5.567
139 H1 G 39 H1 G 39 56.973 1.255 0.060
140 1H2 G 39 H22 G 39 59.112 1.035 0.437
141 2H2 G 39 H21 G 39 59.773 1.020 2.064
142 1H5* G 40 H5' G 40 59.496 4.766 7.069
143 2H5* G 40 'H5' G 40 59.950 6.464 7.313
144 H4* G 40 H4' G 40 61.409 5.643 5.679
145 H3* G 40 H3' G 40 59.251 7.331 4.437
146 H2* G 40 H2' G 40 60.271 6.938 2.288
147 2HO* G 40 'HO2 G 40 62.344 5.625 3.755
148 H1* G 40 H1' G 40 60.662 4.206 2.685
149 H8 G 40 H8 G 40 57.413 4.819 4.302
150 H1 G 40 H1 G 40 57.031 4.696 -2.098
151 1H2 G 40 H22 G 40 59.032 4.892 -2.978
152 2H2 G 40 H21 G 40 60.478 5.013 -1.990
153 1H5* A 41 H5' A 41 62.900 8.243 2.896
154 2H5* A 41 'H5' A 41 63.252 9.979 2.852
155 H4* A 41 H4' A 41 63.775 9.045 0.726
156 H3* A 41 H3' A 41 61.324 10.791 0.701
157 H2* A 41 H2' A 41 61.138 10.386 -1.671
158 2HO* A 41 'HO2 A 41 63.673 9.096 -1.369
159 H1* A 41 H1' A 41 61.594 7.637 -1.494
160 H8 A 41 H8 A 41 59.579 8.438 1.522
161 1H6 A 41 H62 A 41 54.572 8.350 -2.096
162 2H6 A 41 H61 A 41 55.148 8.493 -0.445
163 H2 A 41 H2 A 41 58.181 8.246 -4.739
164 1H5* G 42 H5' G 42 63.414 11.742 -2.568
165 2H5* G 42 'H5' G 42 63.811 13.471 -2.617
166 H4* G 42 H4' G 42 62.958 12.934 -4.735
167 H3* G 42 H3' G 42 60.895 14.394 -3.095
168 H2* G 42 H2' G 42 59.426 14.287 -5.009
169 2HO* G 42 'HO2 G 42 61.694 13.220 -6.389
170 H1* G 42 H1' G 42 60.005 11.607 -5.603
171 H8 G 42 H8 G 42 59.894 11.725 -1.918
172 H1 G 42 H1 G 42 54.070 11.902 -4.600
173 1H2 G 42 H22 G 42 54.231 12.278 -6.756
174 2H2 G 42 H21 G 42 55.790 12.515 -7.532
175 1H5* G 43 H5' G 43 60.832 15.986 -6.806
176 2H5* G 43 'H5' G 43 61.012 17.750 -6.762
177 H4* G 43 H4' G 43 59.167 17.265 -8.154
178 H3* G 43 H3' G 43 58.302 18.343 -5.479
179 H2* G 43 H2' G 43 56.022 18.220 -6.246
180 2HO* G 43 'HO2 G 43 57.179 17.603 -8.791
181 H1* G 43 H1' G 43 56.324 15.702 -7.477
182 H8 G 43 H8 G 43 58.201 15.462 -4.301
183 H1 G 43 H1 G 43 51.845 15.050 -3.504
184 1H2 G 43 H22 G 43 50.805 15.680 -5.340
185 2H2 G 43 H21 G 43 51.683 16.187 -6.770
186 H3T G 43 H3T G 43 58.959 19.992 -6.470
Start of MODEL 4
1 1H5* C 27 1H5' C 27 43.725 13.649 -0.350
2 2H5* C 27 2H5' C 27 43.337 12.070 -1.057
3 H4* C 27 H4' C 27 43.817 13.442 -2.876
4 H3* C 27 H3' C 27 46.163 11.674 -2.245
5 H2* C 27 H2' C 27 47.362 12.690 -4.070
6 2HO* C 27 2HO' C 27 46.229 13.370 -5.733
7 H1* C 27 H1' C 27 46.636 15.309 -3.448
8 1H4 C 27 H42 C 27 52.188 14.330 -0.487
9 2H4 C 27 H41 C 27 51.317 13.821 0.943
10 H5 C 27 H5 C 27 48.919 13.528 0.992
11 H6 C 27 H6 C 27 46.863 13.681 -0.314
12 H5T C 27 H5T C 27 45.362 12.784 0.621
13 1H5* C 28 H5' C 28 45.707 11.527 -6.214
14 2H5* C 28 'H5' C 28 45.511 9.877 -6.842
15 H4* C 28 H4' C 28 47.137 10.857 -8.194
16 H3* C 28 H3' C 28 48.460 9.073 -6.158
17 H2* C 28 H2' C 28 50.574 9.630 -7.181
18 2HO* C 28 'HO2 C 28 50.589 10.106 -9.251
19 H1* C 28 H1' C 28 50.038 12.362 -7.359
20 1H4 C 28 H42 C 28 53.112 11.580 -1.847
21 2H4 C 28 H41 C 28 51.564 11.417 -1.030
22 H5 C 28 H5 C 28 49.472 11.282 -2.204
23 H6 C 28 H6 C 28 48.408 11.326 -4.398
24 1H5* U 29 H5' U 29 50.065 8.261 -9.807
25 2H5* U 29 'H5' U 29 50.091 6.527 -10.183
26 H4* U 29 H4' U 29 52.238 7.407 -10.655
27 H3* U 29 H3' U 29 52.243 5.726 -8.155
28 H2* U 29 H2' U 29 54.611 6.134 -7.987
29 2HO* U 29 'HO2 U 29 55.753 6.617 -9.712
30 H1* U 29 H1' U 29 54.433 8.861 -8.549
31 H3 U 29 H3 U 29 55.420 8.176 -4.105
32 H5 U 29 H5 U 29 51.231 8.370 -4.402
33 H6 U 29 H6 U 29 51.474 8.219 -6.787
34 1H5* C 30 H5' C 30 55.549 4.835 -10.387
35 2H5* C 30 'H5' C 30 55.709 3.085 -10.636
36 H4* C 30 H4' C 30 57.812 3.977 -9.912
37 H3* C 30 H3' C 30 56.446 2.222 -7.889
38 H2* C 30 H2' C 30 58.315 2.573 -6.404
39 2HO* C 30 'HO2 C 30 60.233 3.019 -7.211
40 H1* C 30 H1' C 30 58.497 5.323 -6.851
41 1H4 C 30 H42 C 30 54.789 4.501 -1.733
42 2H4 C 30 H41 C 30 53.375 4.524 -2.764
43 H5 C 30 H5 C 30 53.518 4.582 -5.174
44 H6 C 30 H6 C 30 55.039 4.660 -7.079
45 1H5* C 31 H5' C 31 60.353 1.221 -7.949
46 2H5* C 31 'H5' C 31 60.587 -0.498 -8.324
47 H4* C 31 H4' C 31 61.958 -0.065 -6.482
48 H3* C 31 H3' C 31 59.448 -1.491 -5.645
49 H2* C 31 H2' C 31 60.211 -1.427 -3.363
50 2HO* C 31 'HO2 C 31 62.669 -0.867 -4.638
51 H1* C 31 H1' C 31 61.175 1.212 -3.471
52 1H4 C 31 H42 C 31 55.330 1.509 -0.984
53 2H4 C 31 H41 C 31 54.647 1.665 -2.589
54 H5 C 31 H5 C 31 55.995 1.492 -4.601
55 H6 C 31 H6 C 31 58.236 1.089 -5.467
56 1H5* C 32 H5' C 32 61.772 -3.306 -3.373
57 2H5* C 32 'H5' C 32 61.520 -5.063 -3.357
58 H4* C 32 H4' C 32 61.079 -3.867 -1.197
59 H3* C 32 H3' C 32 59.087 -5.713 -2.453
60 H2* C 32 H2' C 32 57.489 -5.212 -0.723
61 2HO* C 32 'HO2 C 32 58.673 -5.076 1.125
62 H1* C 32 H1' C 32 57.858 -2.462 -0.756
63 1H4 C 32 H42 C 32 53.263 -3.474 -5.030
64 2H4 C 32 H41 C 32 54.469 -3.660 -6.283
65 H5 C 32 H5 C 32 56.848 -3.698 -5.822
66 H6 C 32 H6 C 32 58.542 -3.567 -4.073
67 1H5* U 33 H5' U 33 57.915 -6.918 1.171
68 2H5* U 33 'H5' U 33 58.852 -8.414 1.350
69 H4* U 33 H4' U 33 56.679 -8.954 2.012
70 H3* U 33 H3' U 33 57.302 -9.989 -0.729
71 H2* U 33 H2' U 33 55.058 -10.832 -0.937
72 2HO* U 33 'HO2 U 33 55.029 -10.326 1.855
73 H1* U 33 H1' U 33 53.791 -8.563 0.061
74 H3 U 33 H3 U 33 53.034 -8.303 -4.391
75 H5 U 33 H5 U 33 56.993 -6.982 -3.917
76 H6 U 33 H6 U 33 56.861 -7.656 -1.611
77 1H5* U 34 H5' U 34 55.810 -13.040 -0.663
78 2H5* U 34 'H5' U 34 56.843 -14.158 0.249
79 H4* U 34 H4' U 34 57.314 -14.243 -2.625
80 H3* U 34 H3' U 34 54.500 -14.693 -1.693
81 H2* U 34 H2' U 34 54.377 -16.692 -3.028
82 2HO* U 34 'HO2 U 34 55.588 -15.754 -4.818
83 H1* U 34 H1' U 34 56.884 -17.680 -2.308
84 H3 U 34 H3 U 34 53.176 -19.790 -0.335
85 H5 U 34 H5 U 34 55.061 -17.360 2.524
86 H6 U 34 H6 U 34 56.326 -16.366 0.733
87 1H5* A 35 H5' A 35 52.128 -11.853 -1.427
88 2H5* A 35 'H5' A 35 53.317 -12.706 -0.422
89 H4* A 35 H4' A 35 50.720 -14.023 -1.068
90 H3* A 35 H3' A 35 50.967 -11.693 0.790
91 H2* A 35 H2' A 35 49.704 -12.854 2.475
92 2HO* A 35 'HO2 A 35 49.283 -14.851 0.469
93 H1* A 35 H1' A 35 51.011 -15.292 2.221
94 H8 A 35 H8 A 35 53.967 -13.399 1.724
95 1H6 A 35 H62 A 35 53.902 -11.594 7.646
96 2H6 A 35 H61 A 35 54.869 -11.713 6.193
97 H2 A 35 H2 A 35 49.863 -13.274 6.658
98 1H5* C 36 H5' C 36 47.087 -8.818 -0.163
99 2H5* C 36 'H5' C 36 48.111 -8.059 1.071
100 H4* C 36 H4' C 36 45.498 -9.229 1.318
101 H3* C 36 H3' C 36 47.230 -7.529 3.081
102 H2* C 36 H2' C 36 45.921 -8.190 4.990
103 2HO* C 36 'HO2 C 36 43.846 -8.388 4.476
104 H1* C 36 H1' C 36 45.834 -10.901 4.351
105 1H4 C 36 H42 C 36 50.976 -10.250 8.040
106 2H4 C 36 H41 C 36 51.956 -10.004 6.612
107 H5 C 36 H5 C 36 51.016 -9.798 4.388
108 H6 C 36 H6 C 36 48.949 -9.780 3.092
109 1H5* A 37 H5' A 37 47.116 -3.614 4.738
110 2H5* A 37 'H5' A 37 48.135 -4.528 3.608
111 H4* A 37 H4' A 37 47.460 -5.624 6.312
112 H3* A 37 H3' A 37 49.466 -3.465 5.790
113 H2* A 37 H2' A 37 51.092 -4.613 7.137
114 2HO* A 37 'HO2 A 37 49.095 -5.352 8.537
115 H1* A 37 H1' A 37 50.584 -7.165 6.136
116 H8 A 37 H8 A 37 50.248 -5.310 3.050
117 1H6 A 37 H62 A 37 56.401 -4.653 2.846
118 2H6 A 37 H61 A 37 54.913 -4.513 1.937
119 H2 A 37 H2 A 37 55.286 -6.048 6.960
120 1H5* A 38 H5' A 38 50.330 0.084 6.593
121 2H5* A 38 'H5' A 38 50.630 -1.624 6.218
122 H4* A 38 H4' A 38 51.140 -0.909 9.008
123 H3* A 38 H3' A 38 52.623 0.595 6.880
124 H2* A 38 H2' A 38 54.703 0.146 7.990
125 2HO* A 38 'HO2 A 38 54.787 -0.344 10.106
126 H1* A 38 H1' A 38 54.135 -2.522 8.653
127 H8 A 38 H8 A 38 52.880 -1.739 5.185
128 1H6 A 38 H62 A 38 58.558 -3.204 3.195
129 2H6 A 38 H61 A 38 56.920 -2.832 2.709
130 H2 A 38 H2 A 38 58.659 -3.015 7.674
131 1H5* G 39 H5' G 39 54.520 1.857 9.531
132 2H5* G 39 'H5' G 39 54.879 3.595 9.584
133 H4* G 39 H4' G 39 56.890 2.298 9.198
134 H3* G 39 H3' G 39 56.032 4.066 6.914
135 H2* G 39 H2' G 39 58.020 3.355 5.736
136 2HO* G 39 'HO2 G 39 58.675 2.062 8.202
137 H1* G 39 H1' G 39 57.683 0.649 6.326
138 H8 G 39 H8 G 39 54.226 1.795 5.858
139 H1 G 39 H1 G 39 57.395 1.280 0.307
140 1H2 G 39 H22 G 39 59.543 1.090 0.659
141 2H2 G 39 H21 G 39 60.218 1.056 2.279
142 1H5* G 40 H5' G 40 59.925 4.675 7.362
143 2H5* G 40 'H5' G 40 60.343 6.377 7.640
144 H4* G 40 H4' G 40 61.796 5.625 5.967
145 H3* G 40 H3' G 40 59.589 7.299 4.792
146 H2* G 40 H2' G 40 60.591 6.984 2.625
147 2HO* G 40 'HO2 G 40 62.709 5.678 4.039
148 H1* G 40 H1' G 40 61.047 4.250 2.951
149 H8 G 40 H8 G 40 57.801 4.770 4.611
150 H1 G 40 H1 G 40 57.361 4.756 -1.786
151 1H2 G 40 H22 G 40 59.347 5.003 -2.682
152 2H2 G 40 H21 G 40 60.801 5.133 -1.708
153 1H5* A 41 H5' A 41 63.201 8.330 3.231
154 2H5* A 41 'H5' A 41 63.504 10.077 3.219
155 H4* A 41 H4' A 41 64.024 9.194 1.067
156 H3* A 41 H3' A 41 61.535 10.886 1.105
157 H2* A 41 H2' A 41 61.334 10.525 -1.273
158 2HO* A 41 'HO2 A 41 63.888 9.260 -1.032
159 H1* A 41 H1' A 41 61.852 7.784 -1.156
160 H8 A 41 H8 A 41 59.849 8.478 1.894
161 1H6 A 41 H62 A 41 54.810 8.352 -1.681
162 2H6 A 41 H61 A 41 55.399 8.478 -0.033
163 H2 A 41 H2 A 41 58.397 8.383 -4.357
164 1H5* G 42 H5' G 42 63.569 11.944 -2.175
165 2H5* G 42 'H5' G 42 63.927 13.682 -2.191
166 H4* G 42 H4' G 42 63.063 13.172 -4.310
167 H3* G 42 H3' G 42 60.985 14.550 -2.620
168 H2* G 42 H2' G 42 59.499 14.452 -4.518
169 2HO* G 42 'HO2 G 42 61.776 13.466 -5.943
170 H1* G 42 H1' G 42 60.128 11.799 -5.175
171 H8 G 42 H8 G 42 60.056 11.839 -1.486
172 H1 G 42 H1 G 42 54.200 11.939 -4.104
173 1H2 G 42 H22 G 42 54.331 12.363 -6.254
174 2H2 G 42 H21 G 42 55.875 12.649 -7.039
175 1H5* G 43 H5' G 43 60.850 16.221 -6.295
176 2H5* G 43 'H5' G 43 60.990 17.988 -6.213
177 H4* G 43 H4' G 43 59.143 17.485 -7.599
178 H3* G 43 H3' G 43 58.282 18.495 -4.896
179 H2* G 43 H2' G 43 55.997 18.331 -5.639
180 2HO* G 43 'HO2 G 43 57.205 17.926 -8.197
181 H1* G 43 H1' G 43 56.344 15.846 -6.926
182 H8 G 43 H8 G 43 58.254 15.582 -3.772
183 H1 G 43 H1 G 43 51.917 15.013 -2.927
184 1H2 G 43 H22 G 43 50.846 15.660 -4.743
185 2H2 G 43 H21 G 43 51.700 16.214 -6.168
186 H3T G 43 H3T G 43 58.120 20.328 -5.931
Start of MODEL 5
1 1H5* C 27 1H5' C 27 43.336 13.131 -0.218
2 2H5* C 27 2H5' C 27 42.966 11.583 -1.002
3 H4* C 27 H4' C 27 43.393 13.059 -2.751
4 H3* C 27 H3' C 27 45.775 11.298 -2.251
5 H2* C 27 H2' C 27 46.930 12.429 -4.039
6 2HO* C 27 2HO' C 27 45.762 13.182 -5.644
7 H1* C 27 H1' C 27 46.176 14.999 -3.266
8 1H4 C 27 H42 C 27 51.786 13.957 -0.440
9 2H4 C 27 H41 C 27 50.943 13.362 0.975
10 H5 C 27 H5 C 27 48.551 13.027 1.042
11 H6 C 27 H6 C 27 46.474 13.213 -0.227
12 H5T C 27 H5T C 27 45.058 12.286 0.636
13 1H5* C 28 H5' C 28 45.262 11.354 -6.215
14 2H5* C 28 'H5' C 28 45.084 9.737 -6.927
15 H4* C 28 H4' C 28 46.675 10.815 -8.245
16 H3* C 28 H3' C 28 48.053 8.944 -6.327
17 H2* C 28 H2' C 28 50.144 9.590 -7.343
18 2HO* C 28 'HO2 C 28 50.138 10.196 -9.380
19 H1* C 28 H1' C 28 49.561 12.320 -7.372
20 1H4 C 28 H42 C 28 52.731 11.301 -1.949
21 2H4 C 28 H41 C 28 51.197 11.067 -1.125
22 H5 C 28 H5 C 28 49.092 10.960 -2.275
23 H6 C 28 H6 C 28 47.994 11.102 -4.448
24 1H5* U 29 H5' U 29 49.643 8.363 -10.034
25 2H5* U 29 'H5' U 29 49.680 6.651 -10.495
26 H4* U 29 H4' U 29 51.816 7.563 -10.943
27 H3* U 29 H3' U 29 51.859 5.775 -8.518
28 H2* U 29 H2' U 29 54.226 6.189 -8.367
29 2HO* U 29 'HO2 U 29 55.338 6.754 -10.085
30 H1* U 29 H1' U 29 54.023 8.937 -8.793
31 H3 U 29 H3 U 29 55.059 8.051 -4.396
32 H5 U 29 H5 U 29 50.864 8.207 -4.643
33 H6 U 29 H6 U 29 51.086 8.181 -7.036
34 1H5* C 30 H5' C 30 55.128 5.001 -10.833
35 2H5* C 30 'H5' C 30 55.289 3.267 -11.172
36 H4* C 30 H4' C 30 57.401 4.124 -10.445
37 H3* C 30 H3' C 30 56.071 2.280 -8.476
38 H2* C 30 H2' C 30 57.966 2.564 -7.014
39 2HO* C 30 'HO2 C 30 59.868 3.006 -7.855
40 H1* C 30 H1' C 30 58.144 5.331 -7.341
41 1H4 C 30 H42 C 30 54.533 4.284 -2.201
42 2H4 C 30 H41 C 30 53.097 4.351 -3.199
43 H5 C 30 H5 C 30 53.195 4.514 -5.607
44 H6 C 30 H6 C 30 54.680 4.677 -7.534
45 1H5* C 31 H5' C 31 59.986 1.228 -8.671
46 2H5* C 31 'H5' C 31 60.176 -0.483 -9.098
47 H4* C 31 H4' C 31 61.590 -0.124 -7.269
48 H3* C 31 H3' C 31 59.073 -1.535 -6.421
49 H2* C 31 H2' C 31 59.911 -1.569 -4.164
50 2HO* C 31 'HO2 C 31 62.125 -0.608 -3.882
51 H1* C 31 H1' C 31 60.884 1.067 -4.206
52 1H4 C 31 H42 C 31 55.090 1.269 -1.586
53 2H4 C 31 H41 C 31 54.374 1.490 -3.170
54 H5 C 31 H5 C 31 55.679 1.405 -5.214
55 H6 C 31 H6 C 31 57.903 1.038 -6.140
56 1H5* C 32 H5' C 32 61.810 -3.889 -4.419
57 2H5* C 32 'H5' C 32 61.029 -5.464 -4.170
58 H4* C 32 H4' C 32 61.365 -3.675 -2.222
59 H3* C 32 H3' C 32 59.213 -5.736 -2.550
60 H2* C 32 H2' C 32 58.055 -4.832 -0.642
61 2HO* C 32 'HO2 C 32 59.641 -2.736 -0.027
62 H1* C 32 H1' C 32 58.341 -2.158 -1.366
63 1H4 C 32 H42 C 32 52.808 -3.926 -3.949
64 2H4 C 32 H41 C 32 53.646 -4.432 -5.399
65 H5 C 32 H5 C 32 56.063 -4.456 -5.580
66 H6 C 32 H6 C 32 58.154 -4.001 -4.410
67 1H5* U 33 H5' U 33 58.833 -6.333 1.246
68 2H5* U 33 'H5' U 33 59.937 -7.694 1.522
69 H4* U 33 H4' U 33 57.961 -8.211 2.671
70 H3* U 33 H3' U 33 58.280 -9.790 0.148
71 H2* U 33 H2' U 33 56.135 -10.824 0.497
72 2HO* U 33 'HO2 U 33 56.502 -9.758 3.090
73 H1* U 33 H1' U 33 54.783 -8.495 1.191
74 H3 U 33 H3 U 33 53.584 -9.684 -3.072
75 H5 U 33 H5 U 33 56.943 -7.193 -3.453
76 H6 U 33 H6 U 33 57.231 -7.345 -1.068
77 1H5* U 34 H5' U 34 57.119 -13.461 2.072
78 2H5* U 34 'H5' U 34 58.747 -14.160 2.158
79 H4* U 34 H4' U 34 58.264 -14.879 -0.296
80 H3* U 34 H3' U 34 55.505 -14.173 0.606
81 H2* U 34 H2' U 34 54.636 -16.253 -0.237
82 2HO* U 34 'HO2 U 34 55.658 -16.681 -2.105
83 H1* U 34 H1' U 34 56.626 -17.875 0.793
84 H3 U 34 H3 U 34 52.736 -18.077 3.306
85 H5 U 34 H5 U 34 55.321 -15.366 5.203
86 H6 U 34 H6 U 34 56.713 -15.439 3.240
87 1H5* A 35 H5' A 35 52.868 -12.063 -0.949
88 2H5* A 35 'H5' A 35 53.930 -12.455 0.418
89 H4* A 35 H4' A 35 51.370 -13.943 -0.069
90 H3* A 35 H3' A 35 51.614 -11.235 1.201
91 H2* A 35 H2' A 35 50.116 -11.926 2.953
92 2HO* A 35 'HO2 A 35 48.935 -13.834 2.790
93 H1* A 35 H1' A 35 51.268 -14.443 3.345
94 H8 A 35 H8 A 35 54.207 -12.334 2.717
95 1H6 A 35 H62 A 35 53.793 -10.313 8.555
96 2H6 A 35 H61 A 35 54.800 -10.375 7.125
97 H2 A 35 H2 A 35 50.003 -12.498 7.566
98 1H5* C 36 H5' C 36 48.324 -8.108 1.261
99 2H5* C 36 'H5' C 36 49.774 -8.521 2.195
100 H4* C 36 H4' C 36 46.925 -9.174 2.942
101 H3* C 36 H3' C 36 48.700 -6.922 3.801
102 H2* C 36 H2' C 36 47.997 -7.198 6.083
103 2HO* C 36 'HO2 C 36 46.203 -9.252 5.283
104 H1* C 36 H1' C 36 48.154 -9.979 6.125
105 1H4 C 36 H42 C 36 53.819 -7.734 8.066
106 2H4 C 36 H41 C 36 54.469 -8.261 6.530
107 H5 C 36 H5 C 36 53.079 -9.074 4.722
108 H6 C 36 H6 C 36 50.790 -9.549 4.024
109 1H5* A 37 H5' A 37 46.326 -5.589 5.811
110 2H5* A 37 'H5' A 37 46.183 -3.820 5.773
111 H4* A 37 H4' A 37 47.313 -4.582 7.782
112 H3* A 37 H3' A 37 48.844 -2.860 5.865
113 H2* A 37 H2' A 37 50.811 -3.051 7.256
114 2HO* A 37 'HO2 A 37 50.603 -4.296 9.259
115 H1* A 37 H1' A 37 50.661 -5.787 7.604
116 H8 A 37 H8 A 37 49.305 -4.696 4.214
117 1H6 A 37 H62 A 37 55.069 -5.518 2.107
118 2H6 A 37 H61 A 37 53.411 -5.182 1.659
119 H2 A 37 H2 A 37 55.142 -5.954 6.569
120 1H5* A 38 H5' A 38 49.579 1.001 5.831
121 2H5* A 38 'H5' A 38 50.203 -0.057 4.554
122 H4* A 38 H4' A 38 50.298 -0.796 7.468
123 H3* A 38 H3' A 38 52.231 0.932 5.960
124 H2* A 38 H2' A 38 54.069 -0.224 7.000
125 2HO* A 38 'HO2 A 38 53.763 -0.954 8.969
126 H1* A 38 H1' A 38 52.995 -2.788 6.691
127 H8 A 38 H8 A 38 52.227 -0.662 3.661
128 1H6 A 38 H62 A 38 57.694 -2.535 1.437
129 2H6 A 38 H61 A 38 56.208 -1.691 1.065
130 H2 A 38 H2 A 38 57.401 -3.861 5.709
131 1H5* G 39 H5' G 39 54.528 1.045 8.915
132 2H5* G 39 'H5' G 39 54.944 2.740 9.235
133 H4* G 39 H4' G 39 56.920 1.558 8.606
134 H3* G 39 H3' G 39 55.970 3.503 6.511
135 H2* G 39 H2' G 39 57.910 2.904 5.203
136 2HO* G 39 'HO2 G 39 58.690 1.380 7.495
137 H1* G 39 H1' G 39 57.641 0.150 5.626
138 H8 G 39 H8 G 39 54.175 1.346 5.294
139 H1 G 39 H1 G 39 57.219 1.020 -0.339
140 1H2 G 39 H22 G 39 59.375 0.805 -0.037
141 2H2 G 39 H21 G 39 60.075 0.702 1.570
142 1H5* G 40 H5' G 40 59.912 4.046 6.813
143 2H5* G 40 'H5' G 40 60.329 5.735 7.166
144 H4* G 40 H4' G 40 61.701 5.088 5.381
145 H3* G 40 H3' G 40 59.429 6.800 4.387
146 H2* G 40 H2' G 40 60.377 6.621 2.178
147 2HO* G 40 'HO2 G 40 62.547 5.269 3.463
148 H1* G 40 H1' G 40 60.873 3.875 2.353
149 H8 G 40 H8 G 40 57.648 4.308 4.087
150 H1 G 40 H1 G 40 57.109 4.540 -2.295
151 1H2 G 40 H22 G 40 59.080 4.820 -3.212
152 2H2 G 40 H21 G 40 60.550 4.913 -2.258
153 1H5* A 41 H5' A 41 62.987 7.965 2.791
154 2H5* A 41 'H5' A 41 63.267 9.714 2.861
155 H4* A 41 H4' A 41 63.750 8.949 0.658
156 H3* A 41 H3' A 41 61.242 10.602 0.833
157 H2* A 41 H2' A 41 60.992 10.357 -1.556
158 2HO* A 41 'HO2 A 41 63.564 9.106 -1.443
159 H1* A 41 H1' A 41 61.553 7.621 -1.588
160 H8 A 41 H8 A 41 59.601 8.135 1.531
161 1H6 A 41 H62 A 41 54.498 8.111 -1.954
162 2H6 A 41 H61 A 41 55.116 8.169 -0.312
163 H2 A 41 H2 A 41 58.031 8.319 -4.689
164 1H5* G 42 H5' G 42 63.193 11.858 -2.424
165 2H5* G 42 'H5' G 42 63.525 13.600 -2.362
166 H4* G 42 H4' G 42 62.621 13.184 -4.483
167 H3* G 42 H3' G 42 60.557 14.440 -2.680
168 H2* G 42 H2' G 42 59.037 14.416 -4.553
169 2HO* G 42 'HO2 G 42 61.303 13.550 -6.070
170 H1* G 42 H1' G 42 59.698 11.811 -5.362
171 H8 G 42 H8 G 42 59.685 11.656 -1.676
172 H1 G 42 H1 G 42 53.786 11.793 -4.198
173 1H2 G 42 H22 G 42 53.875 12.327 -6.324
174 2H2 G 42 H21 G 42 55.403 12.680 -7.117
175 1H5* G 43 H5' G 43 60.331 16.288 -6.258
176 2H5* G 43 'H5' G 43 60.448 18.052 -6.095
177 H4* G 43 H4' G 43 58.582 17.591 -7.472
178 H3* G 43 H3' G 43 57.751 18.445 -4.705
179 H2* G 43 H2' G 43 55.457 18.283 -5.425
180 2HO* G 43 'HO2 G 43 56.579 17.916 -8.031
181 H1* G 43 H1' G 43 55.823 15.873 -6.840
182 H8 G 43 H8 G 43 57.786 15.482 -3.733
183 H1 G 43 H1 G 43 51.472 14.761 -2.829
184 1H2 G 43 H22 G 43 50.363 15.480 -4.593
185 2H2 G 43 H21 G 43 51.188 16.123 -6.000
186 H3T G 43 H3T G 43 58.757 19.931 -6.009
Start of MODEL 6
1 1H5* C 27 1H5' C 27 43.709 13.277 0.816
2 2H5* C 27 2H5' C 27 43.354 11.712 0.060
3 H4* C 27 H4' C 27 43.785 13.157 -1.714
4 H3* C 27 H3' C 27 46.171 11.416 -1.163
5 H2* C 27 H2' C 27 47.335 12.516 -2.963
6 2HO* C 27 2HO' C 27 46.173 13.232 -4.593
7 H1* C 27 H1' C 27 46.567 15.098 -2.246
8 1H4 C 27 H42 C 27 52.157 14.124 0.643
9 2H4 C 27 H41 C 27 51.307 13.554 2.062
10 H5 C 27 H5 C 27 48.915 13.214 2.118
11 H6 C 27 H6 C 27 46.847 13.372 0.830
12 H5T C 27 H5T C 27 45.393 12.437 1.731
13 1H5* C 28 H5' C 28 45.681 11.392 -5.128
14 2H5* C 28 'H5' C 28 45.506 9.764 -5.813
15 H4* C 28 H4' C 28 47.105 10.818 -7.142
16 H3* C 28 H3' C 28 48.476 8.991 -5.179
17 H2* C 28 H2' C 28 50.571 9.620 -6.198
18 2HO* C 28 'HO2 C 28 50.559 10.164 -8.251
19 H1* C 28 H1' C 28 49.984 12.346 -6.279
20 1H4 C 28 H42 C 28 53.119 11.446 -0.819
21 2H4 C 28 H41 C 28 51.582 11.224 0.003
22 H5 C 28 H5 C 28 49.483 11.085 -1.159
23 H6 C 28 H6 C 28 48.399 11.179 -3.342
24 1H5* U 29 H5' U 29 50.053 8.342 -8.871
25 2H5* U 29 'H5' U 29 50.123 6.624 -9.307
26 H4* U 29 H4' U 29 52.239 7.585 -9.770
27 H3* U 29 H3' U 29 52.319 5.801 -7.343
28 H2* U 29 H2' U 29 54.675 6.271 -7.181
29 2HO* U 29 'HO2 U 29 55.784 6.853 -8.897
30 H1* U 29 H1' U 29 54.416 9.012 -7.625
31 H3 U 29 H3 U 29 55.465 8.167 -3.221
32 H5 U 29 H5 U 29 51.269 8.267 -3.476
33 H6 U 29 H6 U 29 51.494 8.214 -5.867
34 1H5* C 30 H5' C 30 55.628 5.104 -9.639
35 2H5* C 30 'H5' C 30 55.831 3.371 -9.965
36 H4* C 30 H4' C 30 57.917 4.287 -9.220
37 H3* C 30 H3' C 30 56.616 2.413 -7.263
38 H2* C 30 H2' C 30 58.489 2.748 -5.783
39 2HO* C 30 'HO2 C 30 60.387 3.271 -6.589
40 H1* C 30 H1' C 30 58.593 5.518 -6.107
41 1H4 C 30 H42 C 30 54.941 4.363 -1.011
42 2H4 C 30 H41 C 30 53.522 4.397 -2.031
43 H5 C 30 H5 C 30 53.647 4.572 -4.437
44 H6 C 30 H6 C 30 55.153 4.771 -6.343
45 1H5* C 31 H5' C 31 60.564 1.483 -7.418
46 2H5* C 31 'H5' C 31 60.811 -0.221 -7.845
47 H4* C 31 H4' C 31 62.200 0.189 -6.005
48 H3* C 31 H3' C 31 59.735 -1.330 -5.198
49 H2* C 31 H2' C 31 60.526 -1.336 -2.926
50 2HO* C 31 'HO2 C 31 62.871 0.061 -3.443
51 H1* C 31 H1' C 31 61.408 1.332 -2.938
52 1H4 C 31 H42 C 31 55.572 1.352 -0.411
53 2H4 C 31 H41 C 31 54.877 1.562 -2.004
54 H5 C 31 H5 C 31 56.216 1.519 -4.026
55 H6 C 31 H6 C 31 58.464 1.217 -4.920
56 1H5* C 32 H5' C 32 62.161 -3.345 -2.514
57 2H5* C 32 'H5' C 32 61.821 -5.030 -2.959
58 H4* C 32 H4' C 32 61.255 -4.391 -0.608
59 H3* C 32 H3' C 32 59.266 -5.688 -2.430
60 H2* C 32 H2' C 32 57.567 -5.519 -0.733
61 2HO* C 32 'HO2 C 32 58.436 -4.379 1.322
62 H1* C 32 H1' C 32 58.113 -2.889 -0.023
63 1H4 C 32 H42 C 32 53.823 -2.302 -4.666
64 2H4 C 32 H41 C 32 55.087 -2.424 -5.870
65 H5 C 32 H5 C 32 57.395 -2.905 -5.311
66 H6 C 32 H6 C 32 58.951 -3.363 -3.491
67 1H5* U 33 H5' U 33 57.719 -7.984 0.574
68 2H5* U 33 'H5' U 33 58.442 -9.551 0.162
69 H4* U 33 H4' U 33 56.117 -9.885 0.408
70 H3* U 33 H3' U 33 57.071 -10.018 -2.427
71 H2* U 33 H2' U 33 54.812 -10.342 -3.193
72 2HO* U 33 'HO2 U 33 54.478 -11.540 -0.942
73 H1* U 33 H1' U 33 53.675 -8.355 -1.616
74 H3 U 33 H3 U 33 53.780 -6.463 -5.721
75 H5 U 33 H5 U 33 57.727 -6.142 -4.318
76 H6 U 33 H6 U 33 57.093 -7.516 -2.447
77 1H5* U 34 H5' U 34 55.389 -13.955 -1.422
78 2H5* U 34 'H5' U 34 56.792 -14.961 -1.012
79 H4* U 34 H4' U 34 56.334 -15.804 -3.521
80 H3* U 34 H3' U 34 53.659 -14.809 -2.601
81 H2* U 34 H2' U 34 52.636 -16.844 -3.378
82 2HO* U 34 'HO2 U 34 53.676 -17.276 -5.277
83 H1* U 34 H1' U 34 54.566 -18.561 -2.334
84 H3 U 34 H3 U 34 50.665 -18.696 0.136
85 H5 U 34 H5 U 34 53.213 -15.930 2.007
86 H6 U 34 H6 U 34 54.643 -16.056 0.072
87 1H5* A 35 H5' A 35 51.648 -11.887 -3.313
88 2H5* A 35 'H5' A 35 52.828 -12.646 -2.227
89 H4* A 35 H4' A 35 49.997 -13.623 -2.415
90 H3* A 35 H3' A 35 50.921 -11.211 -0.895
91 H2* A 35 H2' A 35 49.658 -11.920 1.024
92 2HO* A 35 'HO2 A 35 48.567 -13.831 -0.799
93 H1* A 35 H1' A 35 50.421 -14.598 0.912
94 H8 A 35 H8 A 35 53.577 -13.150 -0.074
95 1H6 A 35 H62 A 35 54.532 -11.364 5.777
96 2H6 A 35 H61 A 35 55.273 -11.599 4.210
97 H2 A 35 H2 A 35 50.220 -12.527 5.362
98 1H5* C 36 H5' C 36 46.504 -9.428 -1.684
99 2H5* C 36 'H5' C 36 47.035 -7.738 -1.595
100 H4* C 36 H4' C 36 45.355 -8.768 0.154
101 H3* C 36 H3' C 36 47.468 -6.694 0.625
102 H2* C 36 H2' C 36 46.992 -6.740 2.984
103 2HO* C 36 'HO2 C 36 44.776 -8.379 2.216
104 H1* C 36 H1' C 36 46.864 -9.517 3.203
105 1H4 C 36 H42 C 36 52.924 -8.035 4.449
106 2H4 C 36 H41 C 36 53.315 -8.270 2.760
107 H5 C 36 H5 C 36 51.633 -8.685 1.066
108 H6 C 36 H6 C 36 49.245 -8.957 0.652
109 1H5* A 37 H5' A 37 46.980 -2.538 2.142
110 2H5* A 37 'H5' A 37 48.130 -3.588 1.290
111 H4* A 37 H4' A 37 47.501 -3.635 4.239
112 H3* A 37 H3' A 37 49.749 -2.361 2.734
113 H2* A 37 H2' A 37 51.339 -3.153 4.356
114 2HO* A 37 'HO2 A 37 49.551 -4.524 5.948
115 H1* A 37 H1' A 37 50.347 -5.738 4.534
116 H8 A 37 H8 A 37 49.733 -5.277 1.009
117 1H6 A 37 H62 A 37 55.805 -5.816 -0.078
118 2H6 A 37 H61 A 37 54.214 -5.810 -0.803
119 H2 A 37 H2 A 37 55.230 -5.181 4.324
120 1H5* A 38 H5' A 38 49.785 -2.020 7.317
121 2H5* A 38 'H5' A 38 49.985 -0.268 7.512
122 H4* A 38 H4' A 38 51.346 -1.584 9.080
123 H3* A 38 H3' A 38 52.682 0.309 7.181
124 H2* A 38 H2' A 38 54.840 -0.355 8.017
125 2HO* A 38 'HO2 A 38 54.651 -2.116 9.778
126 H1* A 38 H1' A 38 54.325 -3.091 8.026
127 H8 A 38 H8 A 38 52.628 -1.346 5.111
128 1H6 A 38 H62 A 38 57.842 -2.422 1.951
129 2H6 A 38 H61 A 38 56.190 -1.859 1.845
130 H2 A 38 H2 A 38 58.561 -3.524 6.238
131 1H5* G 39 H5' G 39 54.863 1.058 10.106
132 2H5* G 39 'H5' G 39 55.192 2.784 10.363
133 H4* G 39 H4' G 39 57.227 1.636 9.800
134 H3* G 39 H3' G 39 56.244 3.533 7.677
135 H2* G 39 H2' G 39 58.228 2.992 6.405
136 2HO* G 39 'HO2 G 39 59.002 1.685 8.820
137 H1* G 39 H1' G 39 58.031 0.236 6.827
138 H8 G 39 H8 G 39 54.527 1.310 6.458
139 H1 G 39 H1 G 39 57.654 1.129 0.863
140 1H2 G 39 H22 G 39 59.813 0.983 1.192
141 2H2 G 39 H21 G 39 60.496 0.892 2.807
142 1H5* G 40 H5' G 40 60.169 4.230 8.083
143 2H5* G 40 'H5' G 40 60.515 5.935 8.427
144 H4* G 40 H4' G 40 61.961 5.303 6.690
145 H3* G 40 H3' G 40 59.682 6.968 5.638
146 H2* G 40 H2' G 40 60.681 6.803 3.452
147 2HO* G 40 'HO2 G 40 62.847 5.489 4.779
148 H1* G 40 H1' G 40 61.222 4.070 3.632
149 H8 G 40 H8 G 40 57.968 4.421 5.320
150 H1 G 40 H1 G 40 57.506 4.687 -1.068
151 1H2 G 40 H22 G 40 59.482 5.029 -1.957
152 2H2 G 40 H21 G 40 60.936 5.152 -0.982
153 1H5* A 41 H5' A 41 63.255 8.188 4.118
154 2H5* A 41 'H5' A 41 63.501 9.943 4.181
155 H4* A 41 H4' A 41 64.044 9.162 1.993
156 H3* A 41 H3' A 41 61.512 10.786 2.104
157 H2* A 41 H2' A 41 61.324 10.525 -0.289
158 2HO* A 41 'HO2 A 41 63.917 9.334 -0.087
159 H1* A 41 H1' A 41 61.907 7.795 -0.289
160 H8 A 41 H8 A 41 59.889 8.303 2.788
161 1H6 A 41 H62 A 41 54.853 8.217 -0.793
162 2H6 A 41 H61 A 41 55.439 8.281 0.859
163 H2 A 41 H2 A 41 58.437 8.454 -3.462
164 1H5* G 42 H5' G 42 63.553 12.026 -1.142
165 2H5* G 42 'H5' G 42 63.850 13.775 -1.080
166 H4* G 42 H4' G 42 63.024 13.306 -3.232
167 H3* G 42 H3' G 42 60.914 14.595 -1.511
168 H2* G 42 H2' G 42 59.432 14.524 -3.413
169 2HO* G 42 'HO2 G 42 61.740 13.646 -4.857
170 H1* G 42 H1' G 42 60.107 11.906 -4.150
171 H8 G 42 H8 G 42 60.045 11.829 -0.463
172 H1 G 42 H1 G 42 54.181 11.896 -3.061
173 1H2 G 42 H22 G 42 54.295 12.391 -5.197
174 2H2 G 42 H21 G 42 55.832 12.736 -5.976
175 1H5* G 43 H5' G 43 60.743 16.369 -5.141
176 2H5* G 43 'H5' G 43 60.850 18.135 -5.003
177 H4* G 43 H4' G 43 59.009 17.640 -6.401
178 H3* G 43 H3' G 43 58.136 18.548 -3.665
179 H2* G 43 H2' G 43 55.853 18.367 -4.412
180 2HO* G 43 'HO2 G 43 57.006 17.933 -6.996
181 H1* G 43 H1' G 43 56.241 15.927 -5.771
182 H8 G 43 H8 G 43 58.171 15.613 -2.632
183 H1 G 43 H1 G 43 51.851 14.885 -1.781
184 1H2 G 43 H22 G 43 50.759 15.565 -3.570
185 2H2 G 43 H21 G 43 51.594 16.182 -4.983
186 H3T G 43 H3T G 43 57.495 20.311 -5.121
Start of MODEL 7
1 1H5* C 27 1H5' C 27 43.592 13.225 0.529
2 2H5* C 27 2H5' C 27 43.232 11.682 -0.265
3 H4* C 27 H4' C 27 43.631 13.172 -2.006
4 H3* C 27 H3' C 27 46.038 11.438 -1.532
5 H2* C 27 H2' C 27 47.170 12.594 -3.317
6 2HO* C 27 2HO' C 27 45.983 13.342 -4.912
7 H1* C 27 H1' C 27 46.389 15.149 -2.523
8 1H4 C 27 H42 C 27 52.028 14.144 0.262
9 2H4 C 27 H41 C 27 51.200 13.532 1.678
10 H5 C 27 H5 C 27 48.812 13.174 1.757
11 H6 C 27 H6 C 27 46.725 13.348 0.503
12 H5T C 27 H5T C 27 45.245 12.326 1.435
13 1H5* C 28 H5' C 28 45.501 11.512 -5.490
14 2H5* C 28 'H5' C 28 45.334 9.899 -6.212
15 H4* C 28 H4' C 28 46.907 11.000 -7.533
16 H3* C 28 H3' C 28 48.318 9.136 -5.633
17 H2* C 28 H2' C 28 50.394 9.808 -6.660
18 2HO* C 28 'HO2 C 28 50.356 10.405 -8.698
19 H1* C 28 H1' C 28 49.782 12.531 -6.668
20 1H4 C 28 H42 C 28 52.993 11.509 -1.271
21 2H4 C 28 H41 C 28 51.467 11.256 -0.439
22 H5 C 28 H5 C 28 49.355 11.135 -1.576
23 H6 C 28 H6 C 28 48.245 11.282 -3.742
24 1H5* U 29 H5' U 29 49.881 8.580 -9.352
25 2H5* U 29 'H5' U 29 49.933 6.871 -9.822
26 H4* U 29 H4' U 29 52.054 7.812 -10.283
27 H3* U 29 H3' U 29 52.134 6.002 -7.873
28 H2* U 29 H2' U 29 54.496 6.446 -7.727
29 2HO* U 29 'HO2 U 29 55.596 7.038 -9.446
30 H1* U 29 H1' U 29 54.261 9.195 -8.139
31 H3 U 29 H3 U 29 55.339 8.297 -3.755
32 H5 U 29 H5 U 29 51.142 8.416 -3.970
33 H6 U 29 H6 U 29 51.347 8.404 -6.364
34 1H5* C 30 H5' C 30 55.403 5.288 -10.210
35 2H5* C 30 'H5' C 30 55.588 3.558 -10.557
36 H4* C 30 H4' C 30 57.689 4.444 -9.829
37 H3* C 30 H3' C 30 56.395 2.568 -7.870
38 H2* C 30 H2' C 30 58.289 2.874 -6.409
39 2HO* C 30 'HO2 C 30 60.183 3.390 -7.233
40 H1* C 30 H1' C 30 58.420 5.645 -6.721
41 1H4 C 30 H42 C 30 54.846 4.514 -1.569
42 2H4 C 30 H41 C 30 53.408 4.558 -2.564
43 H5 C 30 H5 C 30 53.493 4.733 -4.973
44 H6 C 30 H6 C 30 54.967 4.933 -6.905
45 1H5* C 31 H5' C 31 60.278 1.678 -8.042
46 2H5* C 31 'H5' C 31 60.576 0.001 -8.543
47 H4* C 31 H4' C 31 61.967 0.332 -6.708
48 H3* C 31 H3' C 31 59.504 -1.186 -5.893
49 H2* C 31 H2' C 31 60.319 -1.236 -3.632
50 2HO* C 31 'HO2 C 31 62.738 -0.550 -4.921
51 H1* C 31 H1' C 31 61.241 1.419 -3.610
52 1H4 C 31 H42 C 31 55.459 1.501 -0.964
53 2H4 C 31 H41 C 31 54.734 1.722 -2.543
54 H5 C 31 H5 C 31 56.028 1.672 -4.593
55 H6 C 31 H6 C 31 58.252 1.347 -5.537
56 1H5* C 32 H5' C 32 61.870 -3.031 -3.770
57 2H5* C 32 'H5' C 32 61.734 -4.798 -3.888
58 H4* C 32 H4' C 32 61.266 -3.913 -1.636
59 H3* C 32 H3' C 32 59.207 -5.533 -3.081
60 H2* C 32 H2' C 32 57.646 -5.213 -1.277
61 2HO* C 32 'HO2 C 32 58.303 -4.342 0.690
62 H1* C 32 H1' C 32 58.110 -2.491 -0.951
63 1H4 C 32 H42 C 32 53.422 -2.569 -5.218
64 2H4 C 32 H41 C 32 54.547 -2.975 -6.494
65 H5 C 32 H5 C 32 56.890 -3.431 -6.088
66 H6 C 32 H6 C 32 58.624 -3.592 -4.377
67 1H5* U 33 H5' U 33 58.855 -7.906 0.722
68 2H5* U 33 'H5' U 33 59.785 -9.291 0.115
69 H4* U 33 H4' U 33 57.810 -10.084 1.197
70 H3* U 33 H3' U 33 57.922 -10.474 -1.767
71 H2* U 33 H2' U 33 55.707 -11.411 -1.758
72 2HO* U 33 'HO2 U 33 55.333 -11.116 0.990
73 H1* U 33 H1' U 33 54.570 -9.507 -0.083
74 H3 U 33 H3 U 33 53.066 -8.442 -4.230
75 H5 U 33 H5 U 33 56.909 -6.765 -4.010
76 H6 U 33 H6 U 33 57.215 -7.931 -1.926
77 1H5* U 34 H5' U 34 56.296 -14.509 -0.304
78 2H5* U 34 'H5' U 34 57.784 -15.397 -0.688
79 H4* U 34 H4' U 34 56.602 -15.798 -2.980
80 H3* U 34 H3' U 34 54.283 -14.922 -1.311
81 H2* U 34 H2' U 34 52.975 -16.798 -2.057
82 2HO* U 34 'HO2 U 34 53.733 -18.142 -3.734
83 H1* U 34 H1' U 34 54.953 -18.712 -1.741
84 H3 U 34 H3 U 34 51.860 -18.892 1.692
85 H5 U 34 H5 U 34 55.088 -16.572 3.050
86 H6 U 34 H6 U 34 55.916 -16.541 0.790
87 1H5* A 35 H5' A 35 52.191 -12.030 -1.339
88 2H5* A 35 'H5' A 35 53.330 -13.022 -0.410
89 H4* A 35 H4' A 35 50.476 -13.856 -0.536
90 H3* A 35 H3' A 35 51.385 -11.416 0.952
91 H2* A 35 H2' A 35 50.115 -12.119 2.875
92 2HO* A 35 'HO2 A 35 48.302 -12.926 1.656
93 H1* A 35 H1' A 35 50.934 -14.778 2.805
94 H8 A 35 H8 A 35 54.108 -13.501 1.844
95 1H6 A 35 H62 A 35 54.964 -11.182 7.522
96 2H6 A 35 H61 A 35 55.741 -11.603 6.011
97 H2 A 35 H2 A 35 50.620 -12.200 7.074
98 1H5* C 36 H5' C 36 46.592 -10.942 1.133
99 2H5* C 36 'H5' C 36 46.642 -9.216 0.718
100 H4* C 36 H4' C 36 45.336 -9.944 2.798
101 H3* C 36 H3' C 36 47.226 -7.617 2.699
102 H2* C 36 H2' C 36 46.855 -7.223 5.043
103 2HO* C 36 'HO2 C 36 45.207 -8.336 6.155
104 H1* C 36 H1' C 36 46.994 -9.909 5.815
105 1H4 C 36 H42 C 36 52.915 -7.754 6.598
106 2H4 C 36 H41 C 36 53.270 -8.093 4.919
107 H5 C 36 H5 C 36 51.587 -8.833 3.342
108 H6 C 36 H6 C 36 49.233 -9.411 3.063
109 1H5* A 37 H5' A 37 47.251 -3.680 2.674
110 2H5* A 37 'H5' A 37 47.962 -5.285 2.411
111 H4* A 37 H4' A 37 47.509 -4.486 5.218
112 H3* A 37 H3' A 37 49.434 -2.959 3.498
113 H2* A 37 H2' A 37 51.092 -3.111 5.238
114 2HO* A 37 'HO2 A 37 49.707 -4.614 7.040
115 H1* A 37 H1' A 37 50.664 -5.807 5.804
116 H8 A 37 H8 A 37 50.257 -5.149 2.101
117 1H6 A 37 H62 A 37 56.353 -6.129 1.640
118 2H6 A 37 H61 A 37 54.866 -5.894 0.749
119 H2 A 37 H2 A 37 55.299 -5.936 5.994
120 1H5* A 38 H5' A 38 49.157 -0.874 7.632
121 2H5* A 38 'H5' A 38 49.800 0.750 7.313
122 H4* A 38 H4' A 38 50.976 -0.719 9.052
123 H3* A 38 H3' A 38 52.409 0.832 6.912
124 H2* A 38 H2' A 38 54.497 -0.035 7.732
125 2HO* A 38 'HO2 A 38 53.213 -0.053 10.029
126 H1* A 38 H1' A 38 53.575 -2.662 8.108
127 H8 A 38 H8 A 38 52.228 -1.033 4.950
128 1H6 A 38 H62 A 38 57.224 -3.351 2.119
129 2H6 A 38 H61 A 38 55.693 -2.534 1.889
130 H2 A 38 H2 A 38 57.690 -4.016 6.531
131 1H5* G 39 H5' G 39 54.999 1.281 9.580
132 2H5* G 39 'H5' G 39 55.405 2.992 9.819
133 H4* G 39 H4' G 39 57.377 1.771 9.208
134 H3* G 39 H3' G 39 56.396 3.681 7.096
135 H2* G 39 H2' G 39 58.318 3.065 5.769
136 2HO* G 39 'HO2 G 39 59.123 1.624 8.106
137 H1* G 39 H1' G 39 58.046 0.320 6.222
138 H8 G 39 H8 G 39 54.564 1.468 5.955
139 H1 G 39 H1 G 39 57.519 1.240 0.265
140 1H2 G 39 H22 G 39 59.680 1.057 0.526
141 2H2 G 39 H21 G 39 60.415 0.957 2.117
142 1H5* G 40 H5' G 40 60.297 4.312 7.399
143 2H5* G 40 'H5' G 40 60.720 6.000 7.747
144 H4* G 40 H4' G 40 62.080 5.357 5.956
145 H3* G 40 H3' G 40 59.790 7.051 4.976
146 H2* G 40 H2' G 40 60.720 6.871 2.759
147 2HO* G 40 'HO2 G 40 62.907 5.536 4.029
148 H1* G 40 H1' G 40 61.231 4.130 2.932
149 H8 G 40 H8 G 40 58.025 4.512 4.703
150 H1 G 40 H1 G 40 57.412 4.824 -1.672
151 1H2 G 40 H22 G 40 59.372 5.148 -2.605
152 2H2 G 40 H21 G 40 60.849 5.251 -1.661
153 1H5* A 41 H5' A 41 63.323 8.238 3.352
154 2H5* A 41 'H5' A 41 63.600 9.988 3.429
155 H4* A 41 H4' A 41 64.067 9.240 1.217
156 H3* A 41 H3' A 41 61.546 10.871 1.424
157 H2* A 41 H2' A 41 61.276 10.635 -0.964
158 2HO* A 41 'HO2 A 41 63.872 9.439 -0.863
159 H1* A 41 H1' A 41 61.856 7.904 -1.013
160 H8 A 41 H8 A 41 59.932 8.388 2.128
161 1H6 A 41 H62 A 41 54.796 8.339 -1.306
162 2H6 A 41 H61 A 41 55.429 8.394 0.329
163 H2 A 41 H2 A 41 58.300 8.588 -4.075
164 1H5* G 42 H5' G 42 63.452 12.167 -1.839
165 2H5* G 42 'H5' G 42 63.771 13.911 -1.770
166 H4* G 42 H4' G 42 62.846 13.502 -3.885
167 H3* G 42 H3' G 42 60.788 14.721 -2.052
168 H2* G 42 H2' G 42 59.250 14.695 -3.911
169 2HO* G 42 'HO2 G 42 61.516 13.874 -5.453
170 H1* G 42 H1' G 42 59.934 12.104 -4.746
171 H8 G 42 H8 G 42 59.950 11.922 -1.060
172 H1 G 42 H1 G 42 54.032 12.021 -3.534
173 1H2 G 42 H22 G 42 54.098 12.574 -5.653
174 2H2 G 42 H21 G 42 55.615 12.948 -6.459
175 1H5* G 43 H5' G 43 60.513 16.595 -5.602
176 2H5* G 43 'H5' G 43 60.613 18.358 -5.437
177 H4* G 43 H4' G 43 58.742 17.885 -6.799
178 H3* G 43 H3' G 43 57.928 18.724 -4.023
179 H2* G 43 H2' G 43 55.630 18.536 -4.718
180 2HO* G 43 'HO2 G 43 56.781 18.325 -7.321
181 H1* G 43 H1' G 43 56.007 16.138 -6.156
182 H8 G 43 H8 G 43 57.993 15.741 -3.066
183 H1 G 43 H1 G 43 51.691 14.963 -2.123
184 1H2 G 43 H22 G 43 50.564 15.689 -3.871
185 2H2 G 43 H21 G 43 51.374 16.345 -5.281
186 H3T G 43 H3T G 43 57.168 20.365 -5.839
Start of MODEL 8
1 1H5* C 27 1H5' C 27 43.488 13.813 -0.295
2 2H5* C 27 2H5' C 27 43.089 12.235 -0.999
3 H4* C 27 H4' C 27 43.594 13.600 -2.817
4 H3* C 27 H3' C 27 45.910 11.799 -2.172
5 H2* C 27 H2' C 27 47.136 12.794 -3.992
6 2HO* C 27 2HO' C 27 46.025 13.494 -5.662
7 H1* C 27 H1' C 27 46.448 15.424 -3.378
8 1H4 C 27 H42 C 27 51.964 14.364 -0.378
9 2H4 C 27 H41 C 27 51.075 13.873 1.047
10 H5 C 27 H5 C 27 48.674 13.617 1.080
11 H6 C 27 H6 C 27 46.628 13.800 -0.239
12 H5T C 27 H5T C 27 45.147 11.509 -0.462
13 1H5* C 28 H5' C 28 45.474 11.653 -6.142
14 2H5* C 28 'H5' C 28 45.255 10.008 -6.769
15 H4* C 28 H4' C 28 46.905 10.959 -8.112
16 H3* C 28 H3' C 28 48.186 9.157 -6.067
17 H2* C 28 H2' C 28 50.315 9.676 -7.079
18 2HO* C 28 'HO2 C 28 50.345 10.146 -9.150
19 H1* C 28 H1' C 28 49.824 12.417 -7.261
20 1H4 C 28 H42 C 28 52.851 11.595 -1.727
21 2H4 C 28 H41 C 28 51.296 11.456 -0.920
22 H5 C 28 H5 C 28 49.209 11.353 -2.108
23 H6 C 28 H6 C 28 48.159 11.411 -4.309
24 1H5* U 29 H5' U 29 49.787 8.310 -9.705
25 2H5* U 29 'H5' U 29 49.799 6.576 -10.078
26 H4* U 29 H4' U 29 51.955 7.438 -10.542
27 H3* U 29 H3' U 29 51.933 5.745 -8.050
28 H2* U 29 H2' U 29 54.302 6.135 -7.866
29 2HO* U 29 'HO2 U 29 55.460 6.617 -9.581
30 H1* U 29 H1' U 29 54.154 8.865 -8.420
31 H3 U 29 H3 U 29 55.113 8.153 -3.973
32 H5 U 29 H5 U 29 50.926 8.402 -4.292
33 H6 U 29 H6 U 29 51.181 8.249 -6.676
34 1H5* C 30 H5' C 30 55.244 4.841 -10.269
35 2H5* C 30 'H5' C 30 55.393 3.093 -10.525
36 H4* C 30 H4' C 30 57.497 3.966 -9.785
37 H3* C 30 H3' C 30 56.109 2.210 -7.780
38 H2* C 30 H2' C 30 57.973 2.541 -6.284
39 2HO* C 30 'HO2 C 30 59.899 2.979 -7.077
40 H1* C 30 H1' C 30 58.175 5.291 -6.713
41 1H4 C 30 H42 C 30 54.436 4.465 -1.619
42 2H4 C 30 H41 C 30 53.029 4.499 -2.655
43 H5 C 30 H5 C 30 53.184 4.572 -5.066
44 H6 C 30 H6 C 30 54.714 4.652 -6.963
45 1H5* C 31 H5' C 31 59.978 1.201 -7.821
46 2H5* C 31 'H5' C 31 60.235 -0.508 -8.229
47 H4* C 31 H4' C 31 61.592 -0.118 -6.376
48 H3* C 31 H3' C 31 59.069 -1.531 -5.552
49 H2* C 31 H2' C 31 59.835 -1.495 -3.272
50 2HO* C 31 'HO2 C 31 62.255 -1.327 -4.532
51 H1* C 31 H1' C 31 60.814 1.138 -3.353
52 1H4 C 31 H42 C 31 54.967 1.466 -0.876
53 2H4 C 31 H41 C 31 54.288 1.634 -2.482
54 H5 C 31 H5 C 31 55.638 1.465 -4.491
55 H6 C 31 H6 C 31 57.879 1.051 -5.356
56 1H5* C 32 H5' C 32 62.087 -3.345 -3.445
57 2H5* C 32 'H5' C 32 61.682 -5.042 -3.118
58 H4* C 32 H4' C 32 61.870 -3.518 -1.120
59 H3* C 32 H3' C 32 59.517 -5.308 -1.597
60 H2* C 32 H2' C 32 58.419 -4.422 0.353
61 2HO* C 32 'HO2 C 32 59.712 -2.711 1.536
62 H1* C 32 H1' C 32 58.969 -1.751 -0.174
63 1H4 C 32 H42 C 32 53.407 -2.696 -3.079
64 2H4 C 32 H41 C 32 54.229 -3.334 -4.486
65 H5 C 32 H5 C 32 56.623 -3.706 -4.552
66 H6 C 32 H6 C 32 58.703 -3.540 -3.288
67 1H5* U 33 H5' U 33 58.549 -6.596 1.416
68 2H5* U 33 'H5' U 33 59.640 -7.956 1.746
69 H4* U 33 H4' U 33 57.563 -8.826 2.229
70 H3* U 33 H3' U 33 58.388 -9.652 -0.527
71 H2* U 33 H2' U 33 56.260 -10.721 -0.874
72 2HO* U 33 'HO2 U 33 54.797 -10.355 1.188
73 H1* U 33 H1' U 33 54.710 -8.659 0.162
74 H3 U 33 H3 U 33 54.186 -8.319 -4.329
75 H5 U 33 H5 U 33 57.847 -6.426 -3.527
76 H6 U 33 H6 U 33 57.685 -7.239 -1.267
77 1H5* U 34 H5' U 34 56.993 -13.786 1.052
78 2H5* U 34 'H5' U 34 58.656 -14.394 1.174
79 H4* U 34 H4' U 34 58.252 -15.199 -1.263
80 H3* U 34 H3' U 34 55.445 -14.596 -0.439
81 H2* U 34 H2' U 34 54.687 -16.733 -1.239
82 2HO* U 34 'HO2 U 34 56.469 -16.497 -3.022
83 H1* U 34 H1' U 34 56.717 -18.239 -0.117
84 H3 U 34 H3 U 34 52.768 -18.488 2.312
85 H5 U 34 H5 U 34 55.247 -15.671 4.198
86 H6 U 34 H6 U 34 56.679 -15.751 2.266
87 1H5* A 35 H5' A 35 52.909 -12.199 -1.477
88 2H5* A 35 'H5' A 35 54.165 -12.648 -0.308
89 H4* A 35 H4' A 35 51.618 -14.208 -0.495
90 H3* A 35 H3' A 35 51.881 -11.510 0.785
91 H2* A 35 H2' A 35 50.673 -12.300 2.709
92 2HO* A 35 'HO2 A 35 49.168 -13.755 2.332
93 H1* A 35 H1' A 35 52.016 -14.735 2.921
94 H8 A 35 H8 A 35 54.814 -12.655 1.936
95 1H6 A 35 H62 A 35 54.946 -10.260 7.645
96 2H6 A 35 H61 A 35 55.818 -10.425 6.138
97 H2 A 35 H2 A 35 51.069 -12.458 7.147
98 1H5* C 36 H5' C 36 47.292 -10.675 -0.340
99 2H5* C 36 'H5' C 36 47.483 -8.915 -0.225
100 H4* C 36 H4' C 36 46.032 -10.348 1.496
101 H3* C 36 H3' C 36 47.530 -7.789 1.959
102 H2* C 36 H2' C 36 47.004 -7.919 4.304
103 2HO* C 36 'HO2 C 36 45.638 -10.286 4.300
104 H1* C 36 H1' C 36 47.546 -10.649 4.570
105 1H4 C 36 H42 C 36 52.919 -7.596 6.126
106 2H4 C 36 H41 C 36 53.517 -7.898 4.511
107 H5 C 36 H5 C 36 52.145 -8.859 2.759
108 H6 C 36 H6 C 36 49.929 -9.719 2.207
109 1H5* A 37 H5' A 37 46.338 -3.705 2.710
110 2H5* A 37 'H5' A 37 47.552 -4.655 1.832
111 H4* A 37 H4' A 37 47.288 -4.474 4.832
112 H3* A 37 H3' A 37 49.045 -2.932 2.950
113 H2* A 37 H2' A 37 50.886 -3.162 4.483
114 2HO* A 37 'HO2 A 37 49.225 -2.974 6.330
115 H1* A 37 H1' A 37 50.460 -5.861 5.050
116 H8 A 37 H8 A 37 49.640 -5.689 1.470
117 1H6 A 37 H62 A 37 55.714 -5.686 0.264
118 2H6 A 37 H61 A 37 54.116 -5.860 -0.423
119 H2 A 37 H2 A 37 55.166 -4.947 4.653
120 1H5* A 38 H5' A 38 48.706 -1.008 7.269
121 2H5* A 38 'H5' A 38 49.217 0.675 7.040
122 H4* A 38 H4' A 38 50.345 -0.639 8.888
123 H3* A 38 H3' A 38 51.859 0.943 6.837
124 H2* A 38 H2' A 38 53.934 0.217 7.816
125 2HO* A 38 'HO2 A 38 53.983 -0.807 9.814
126 H1* A 38 H1' A 38 53.182 -2.455 8.141
127 H8 A 38 H8 A 38 51.794 -1.014 4.926
128 1H6 A 38 H62 A 38 57.107 -2.791 2.288
129 2H6 A 38 H61 A 38 55.502 -2.157 1.998
130 H2 A 38 H2 A 38 57.502 -3.336 6.722
131 1H5* G 39 H5' G 39 54.186 1.625 9.649
132 2H5* G 39 'H5' G 39 54.585 3.347 9.812
133 H4* G 39 H4' G 39 56.571 2.081 9.324
134 H3* G 39 H3' G 39 55.676 3.914 7.107
135 H2* G 39 H2' G 39 57.636 3.232 5.870
136 2HO* G 39 'HO2 G 39 58.350 1.836 8.262
137 H1* G 39 H1' G 39 57.320 0.509 6.415
138 H8 G 39 H8 G 39 53.861 1.686 5.997
139 H1 G 39 H1 G 39 56.986 1.201 0.416
140 1H2 G 39 H22 G 39 59.133 0.991 0.752
141 2H2 G 39 H21 G 39 59.817 0.936 2.369
142 1H5* G 40 H5' G 40 59.600 4.499 7.517
143 2H5* G 40 'H5' G 40 60.019 6.200 7.798
144 H4* G 40 H4' G 40 61.441 5.446 6.094
145 H3* G 40 H3' G 40 59.227 7.147 4.959
146 H2* G 40 H2' G 40 60.231 6.855 2.788
147 2HO* G 40 'HO2 G 40 62.341 5.519 4.183
148 H1* G 40 H1' G 40 60.669 4.114 3.087
149 H8 G 40 H8 G 40 57.421 4.641 4.739
150 H1 G 40 H1 G 40 57.009 4.707 -1.660
151 1H2 G 40 H22 G 40 59.003 4.943 -2.544
152 2H2 G 40 H21 G 40 60.452 5.050 -1.560
153 1H5* A 41 H5' A 41 62.847 8.176 3.418
154 2H5* A 41 'H5' A 41 63.162 9.921 3.417
155 H4* A 41 H4' A 41 63.689 9.043 1.265
156 H3* A 41 H3' A 41 61.215 10.756 1.295
157 H2* A 41 H2' A 41 61.032 10.411 -1.088
158 2HO* A 41 'HO2 A 41 63.607 9.206 -0.797
159 H1* A 41 H1' A 41 61.519 7.665 -0.981
160 H8 A 41 H8 A 41 59.503 8.358 2.059
161 1H6 A 41 H62 A 41 54.489 8.328 -1.553
162 2H6 A 41 H61 A 41 55.069 8.431 0.100
163 H2 A 41 H2 A 41 58.096 8.326 -4.202
164 1H5* G 42 H5' G 42 63.314 11.815 -1.967
165 2H5* G 42 'H5' G 42 63.672 13.553 -1.969
166 H4* G 42 H4' G 42 62.843 13.039 -4.106
167 H3* G 42 H3' G 42 60.765 14.452 -2.446
168 H2* G 42 H2' G 42 59.297 14.367 -4.358
169 2HO* G 42 'HO2 G 42 61.607 13.400 -5.742
170 H1* G 42 H1' G 42 59.892 11.703 -5.000
171 H8 G 42 H8 G 42 59.794 11.753 -1.314
172 H1 G 42 H1 G 42 53.960 11.934 -3.971
173 1H2 G 42 H22 G 42 54.110 12.355 -6.120
174 2H2 G 42 H21 G 42 55.663 12.616 -6.896
175 1H5* G 43 H5' G 43 60.693 16.114 -6.130
176 2H5* G 43 'H5' G 43 60.857 17.878 -6.052
177 H4* G 43 H4' G 43 59.016 17.395 -7.455
178 H3* G 43 H3' G 43 58.148 18.434 -4.766
179 H2* G 43 H2' G 43 55.867 18.298 -5.525
180 2HO* G 43 'HO2 G 43 57.055 17.796 -8.079
181 H1* G 43 H1' G 43 56.186 15.800 -6.797
182 H8 G 43 H8 G 43 58.066 15.525 -3.628
183 H1 G 43 H1 G 43 51.716 15.048 -2.831
184 1H2 G 43 H22 G 43 50.669 15.706 -4.656
185 2H2 G 43 H21 G 43 51.541 16.244 -6.077
186 H3T G 43 H3T G 43 59.175 19.480 -6.881
Start of MODEL 9
1 1H5* C 27 1H5' C 27 43.436 12.989 0.203
2 2H5* C 27 2H5' C 27 43.072 11.434 -0.569
3 H4* C 27 H4' C 27 43.455 12.911 -2.329
4 H3* C 27 H3' C 27 45.857 11.169 -1.865
5 H2* C 27 H2' C 27 46.976 12.303 -3.673
6 2HO* C 27 2HO' C 27 45.773 13.040 -5.262
7 H1* C 27 H1' C 27 46.217 14.869 -2.895
8 1H4 C 27 H42 C 27 51.876 13.869 -0.153
9 2H4 C 27 H41 C 27 51.059 13.274 1.277
10 H5 C 27 H5 C 27 48.672 12.926 1.382
11 H6 C 27 H6 C 27 46.573 13.097 0.145
12 H5T C 27 H5T C 27 44.575 10.798 0.784
13 1H5* C 28 H5' C 28 45.279 11.201 -5.810
14 2H5* C 28 'H5' C 28 45.095 9.585 -6.520
15 H4* C 28 H4' C 28 46.661 10.664 -7.865
16 H3* C 28 H3' C 28 48.083 8.812 -5.959
17 H2* C 28 H2' C 28 50.152 9.466 -7.013
18 2HO* C 28 'HO2 C 28 50.100 10.050 -9.054
19 H1* C 28 H1' C 28 49.551 12.191 -7.044
20 1H4 C 28 H42 C 28 52.816 11.217 -1.672
21 2H4 C 28 H41 C 28 51.299 10.976 -0.819
22 H5 C 28 H5 C 28 49.174 10.849 -1.934
23 H6 C 28 H6 C 28 48.039 10.976 -4.088
24 1H5* U 29 H5' U 29 49.609 8.223 -9.689
25 2H5* U 29 'H5' U 29 49.656 6.510 -10.145
26 H4* U 29 H4' U 29 51.774 7.448 -10.634
27 H3* U 29 H3' U 29 51.877 5.656 -8.212
28 H2* U 29 H2' U 29 54.241 6.099 -8.094
29 2HO* U 29 'HO2 U 29 55.323 6.679 -9.827
30 H1* U 29 H1' U 29 54.003 8.845 -8.522
31 H3 U 29 H3 U 29 55.124 7.971 -4.143
32 H5 U 29 H5 U 29 50.923 8.094 -4.318
33 H6 U 29 H6 U 29 51.104 8.065 -6.714
34 1H5* C 30 H5' C 30 55.122 4.925 -10.579
35 2H5* C 30 'H5' C 30 55.302 3.194 -10.918
36 H4* C 30 H4' C 30 57.412 4.084 -10.218
37 H3* C 30 H3' C 30 56.137 2.218 -8.233
38 H2* C 30 H2' C 30 58.052 2.531 -6.799
39 2HO* C 30 'HO2 C 30 59.936 3.047 -7.646
40 H1* C 30 H1' C 30 58.177 5.300 -7.124
41 1H4 C 30 H42 C 30 54.661 4.189 -1.929
42 2H4 C 30 H41 C 30 53.211 4.231 -2.907
43 H5 C 30 H5 C 30 53.270 4.401 -5.318
44 H6 C 30 H6 C 30 54.722 4.590 -7.268
45 1H5* C 31 H5' C 31 60.021 1.292 -8.460
46 2H5* C 31 'H5' C 31 60.293 -0.393 -8.944
47 H4* C 31 H4' C 31 61.712 -0.056 -7.130
48 H3* C 31 H3' C 31 59.242 -1.533 -6.257
49 H2* C 31 H2' C 31 60.108 -1.576 -4.013
50 2HO* C 31 'HO2 C 31 62.378 -0.301 -4.072
51 H1* C 31 H1' C 31 61.035 1.077 -4.034
52 1H4 C 31 H42 C 31 55.282 1.181 -1.320
53 2H4 C 31 H41 C 31 54.538 1.392 -2.891
54 H5 C 31 H5 C 31 55.809 1.334 -4.957
55 H6 C 31 H6 C 31 58.023 1.005 -5.923
56 1H5* C 32 H5' C 32 62.195 -3.609 -4.397
57 2H5* C 32 'H5' C 32 61.631 -5.246 -4.006
58 H4* C 32 H4' C 32 61.918 -3.445 -2.139
59 H3* C 32 H3' C 32 59.747 -5.502 -2.343
60 H2* C 32 H2' C 32 58.661 -4.556 -0.415
61 2HO* C 32 'HO2 C 32 61.156 -3.227 -0.146
62 H1* C 32 H1' C 32 58.943 -1.894 -1.193
63 1H4 C 32 H42 C 32 53.292 -3.687 -3.492
64 2H4 C 32 H41 C 32 54.059 -4.153 -4.993
65 H5 C 32 H5 C 32 56.463 -4.147 -5.298
66 H6 C 32 H6 C 32 58.608 -3.697 -4.226
67 1H5* U 33 H5' U 33 58.972 -6.257 1.162
68 2H5* U 33 'H5' U 33 59.827 -7.784 1.452
69 H4* U 33 H4' U 33 57.541 -8.106 1.996
70 H3* U 33 H3' U 33 58.441 -9.510 -0.491
71 H2* U 33 H2' U 33 56.205 -10.313 -0.872
72 2HO* U 33 'HO2 U 33 56.036 -10.300 1.704
73 H1* U 33 H1' U 33 54.922 -7.903 -0.344
74 H3 U 33 H3 U 33 54.834 -8.437 -4.867
75 H5 U 33 H5 U 33 58.563 -6.697 -4.023
76 H6 U 33 H6 U 33 58.117 -7.059 -1.685
77 1H5* U 34 H5' U 34 56.765 -12.406 0.030
78 2H5* U 34 'H5' U 34 57.607 -13.488 1.155
79 H4* U 34 H4' U 34 58.179 -14.039 -1.655
80 H3* U 34 H3' U 34 55.305 -14.061 -0.799
81 H2* U 34 H2' U 34 55.009 -16.212 -1.838
82 2HO* U 34 'HO2 U 34 57.246 -15.370 -3.221
83 H1* U 34 H1' U 34 57.378 -17.331 -0.877
84 H3 U 34 H3 U 34 53.399 -18.745 1.198
85 H5 U 34 H5 U 34 55.457 -16.148 3.779
86 H6 U 34 H6 U 34 56.875 -15.554 1.926
87 1H5* A 35 H5' A 35 52.545 -11.711 -2.019
88 2H5* A 35 'H5' A 35 53.714 -11.951 -0.705
89 H4* A 35 H4' A 35 51.185 -13.558 -1.007
90 H3* A 35 H3' A 35 51.541 -10.924 0.385
91 H2* A 35 H2' A 35 50.230 -11.729 2.232
92 2HO* A 35 'HO2 A 35 49.151 -13.253 0.310
93 H1* A 35 H1' A 35 51.406 -14.268 2.342
94 H8 A 35 H8 A 35 54.201 -11.955 1.586
95 1H6 A 35 H62 A 35 54.430 -10.639 7.634
96 2H6 A 35 H61 A 35 55.251 -10.475 6.097
97 H2 A 35 H2 A 35 50.654 -12.929 6.848
98 1H5* C 36 H5' C 36 47.151 -8.473 0.774
99 2H5* C 36 'H5' C 36 48.665 -8.258 1.675
100 H4* C 36 H4' C 36 46.160 -9.691 2.469
101 H3* C 36 H3' C 36 47.735 -7.425 3.623
102 H2* C 36 H2' C 36 47.273 -8.195 5.855
103 2HO* C 36 'HO2 C 36 45.811 -9.952 6.175
104 H1* C 36 H1' C 36 47.811 -10.873 5.380
105 1H4 C 36 H42 C 36 53.352 -8.228 7.125
106 2H4 C 36 H41 C 36 53.823 -8.215 5.440
107 H5 C 36 H5 C 36 52.301 -8.795 3.646
108 H6 C 36 H6 C 36 50.030 -9.501 3.107
109 1H5* A 37 H5' A 37 45.943 -6.271 5.953
110 2H5* A 37 'H5' A 37 45.570 -4.541 5.822
111 H4* A 37 H4' A 37 47.201 -4.915 7.552
112 H3* A 37 H3' A 37 48.117 -3.380 5.148
113 H2* A 37 H2' A 37 50.337 -3.237 6.067
114 2HO* A 37 'HO2 A 37 50.292 -4.600 8.291
115 H1* A 37 H1' A 37 50.509 -5.899 6.840
116 H8 A 37 H8 A 37 48.519 -5.211 3.631
117 1H6 A 37 H62 A 37 53.820 -6.390 0.653
118 2H6 A 37 H61 A 37 52.111 -6.059 0.467
119 H2 A 37 H2 A 37 54.672 -6.370 5.057
120 1H5* A 38 H5' A 38 48.689 0.557 7.867
121 2H5* A 38 'H5' A 38 49.756 1.268 6.643
122 H4* A 38 H4' A 38 50.453 -0.292 8.886
123 H3* A 38 H3' A 38 52.037 0.958 6.659
124 H2* A 38 H2' A 38 53.940 -0.361 7.313
125 2HO* A 38 'HO2 A 38 54.113 -1.187 9.303
126 H1* A 38 H1' A 38 52.511 -2.740 7.697
127 H8 A 38 H8 A 38 50.954 -1.217 4.709
128 1H6 A 38 H62 A 38 55.669 -3.462 1.381
129 2H6 A 38 H61 A 38 54.083 -2.728 1.307
130 H2 A 38 H2 A 38 56.712 -3.867 5.723
131 1H5* G 39 H5' G 39 54.836 0.928 9.046
132 2H5* G 39 'H5' G 39 55.325 2.564 9.531
133 H4* G 39 H4' G 39 57.286 1.488 8.841
134 H3* G 39 H3' G 39 56.295 3.377 6.717
135 H2* G 39 H2' G 39 58.219 2.774 5.386
136 2HO* G 39 'HO2 G 39 59.047 1.289 7.686
137 H1* G 39 H1' G 39 57.973 0.030 5.835
138 H8 G 39 H8 G 39 54.473 1.156 5.610
139 H1 G 39 H1 G 39 57.370 0.930 -0.112
140 1H2 G 39 H22 G 39 59.535 0.753 0.129
141 2H2 G 39 H21 G 39 60.286 0.655 1.713
142 1H5* G 40 H5' G 40 60.193 4.013 6.980
143 2H5* G 40 'H5' G 40 60.610 5.704 7.323
144 H4* G 40 H4' G 40 61.960 5.068 5.523
145 H3* G 40 H3' G 40 59.653 6.747 4.556
146 H2* G 40 H2' G 40 60.568 6.568 2.332
147 2HO* G 40 'HO2 G 40 62.772 5.243 3.588
148 H1* G 40 H1' G 40 61.091 3.829 2.508
149 H8 G 40 H8 G 40 57.900 4.211 4.309
150 H1 G 40 H1 G 40 57.227 4.494 -2.062
151 1H2 G 40 H22 G 40 59.176 4.812 -3.013
152 2H2 G 40 H21 G 40 60.663 4.918 -2.087
153 1H5* A 41 H5' A 41 63.169 7.945 2.901
154 2H5* A 41 'H5' A 41 63.437 9.697 2.968
155 H4* A 41 H4' A 41 63.891 8.940 0.758
156 H3* A 41 H3' A 41 61.367 10.564 0.974
157 H2* A 41 H2' A 41 61.085 10.321 -1.410
158 2HO* A 41 'HO2 A 41 63.682 9.122 -1.324
159 H1* A 41 H1' A 41 61.668 7.591 -1.453
160 H8 A 41 H8 A 41 59.769 8.078 1.701
161 1H6 A 41 H62 A 41 54.603 8.028 -1.690
162 2H6 A 41 H61 A 41 55.250 8.085 -0.059
163 H2 A 41 H2 A 41 58.085 8.265 -4.490
164 1H5* G 42 H5' G 42 63.264 11.850 -2.310
165 2H5* G 42 'H5' G 42 63.574 13.596 -2.250
166 H4* G 42 H4' G 42 62.650 13.164 -4.363
167 H3* G 42 H3' G 42 60.602 14.407 -2.536
168 H2* G 42 H2' G 42 59.054 14.363 -4.387
169 2HO* G 42 'HO2 G 42 61.304 13.512 -5.936
170 H1* G 42 H1' G 42 59.724 11.762 -5.196
171 H8 G 42 H8 G 42 59.772 11.615 -1.510
172 H1 G 42 H1 G 42 53.831 11.703 -3.931
173 1H2 G 42 H22 G 42 53.880 12.233 -6.062
174 2H2 G 42 H21 G 42 55.391 12.597 -6.879
175 1H5* G 43 H5' G 43 60.311 16.246 -6.114
176 2H5* G 43 'H5' G 43 60.414 18.009 -5.960
177 H4* G 43 H4' G 43 58.535 17.529 -7.307
178 H3* G 43 H3' G 43 57.738 18.388 -4.533
179 H2* G 43 H2' G 43 55.435 18.205 -5.214
180 2HO* G 43 'HO2 G 43 56.513 17.824 -7.839
181 H1* G 43 H1' G 43 55.798 15.791 -6.628
182 H8 G 43 H8 G 43 57.811 15.427 -3.548
183 H1 G 43 H1 G 43 51.518 14.663 -2.545
184 1H2 G 43 H22 G 43 50.377 15.368 -4.293
185 2H2 G 43 H21 G 43 51.172 16.013 -5.717
186 H3T G 43 H3T G 43 57.768 19.577 -7.081
Start of MODEL 10
1 1H5* C 27 1H5' C 27 43.678 13.832 -0.030
2 2H5* C 27 2H5' C 27 43.276 12.259 -0.744
3 H4* C 27 H4' C 27 43.780 13.635 -2.554
4 H3* C 27 H3' C 27 46.095 11.830 -1.922
5 H2* C 27 H2' C 27 47.319 12.835 -3.739
6 2HO* C 27 2HO' C 27 46.204 13.542 -5.403
7 H1* C 27 H1' C 27 46.633 15.462 -3.107
8 1H4 C 27 H42 C 27 52.152 14.383 -0.121
9 2H4 C 27 H41 C 27 51.266 13.886 1.304
10 H5 C 27 H5 C 27 48.862 13.631 1.339
11 H6 C 27 H6 C 27 46.817 13.820 0.022
12 H5T C 27 H5T C 27 45.331 11.526 -0.214
13 1H5* C 28 H5' C 28 45.652 11.708 -5.894
14 2H5* C 28 'H5' C 28 45.429 10.067 -6.531
15 H4* C 28 H4' C 28 47.078 11.025 -7.872
16 H3* C 28 H3' C 28 48.360 9.207 -5.841
17 H2* C 28 H2' C 28 50.488 9.732 -6.851
18 2HO* C 28 'HO2 C 28 50.521 10.217 -8.917
19 H1* C 28 H1' C 28 50.002 12.474 -7.017
20 1H4 C 28 H42 C 28 53.028 11.625 -1.489
21 2H4 C 28 H41 C 28 51.473 11.483 -0.683
22 H5 C 28 H5 C 28 49.386 11.384 -1.871
23 H6 C 28 H6 C 28 48.337 11.452 -4.071
24 1H5* U 29 H5' U 29 49.966 8.385 -9.488
25 2H5* U 29 'H5' U 29 49.971 6.654 -9.868
26 H4* U 29 H4' U 29 52.132 7.507 -10.328
27 H3* U 29 H3' U 29 52.100 5.809 -7.839
28 H2* U 29 H2' U 29 54.471 6.187 -7.651
29 2HO* U 29 'HO2 U 29 55.631 6.660 -9.365
30 H1* U 29 H1' U 29 54.335 8.919 -8.201
31 H3 U 29 H3 U 29 55.290 8.197 -3.756
32 H5 U 29 H5 U 29 51.103 8.445 -4.074
33 H6 U 29 H6 U 29 51.359 8.304 -6.458
34 1H5* C 30 H5' C 30 55.418 4.890 -10.048
35 2H5* C 30 'H5' C 30 55.553 3.141 -10.306
36 H4* C 30 H4' C 30 57.661 3.998 -9.555
37 H3* C 30 H3' C 30 56.252 2.253 -7.557
38 H2* C 30 H2' C 30 58.115 2.567 -6.055
39 2HO* C 30 'HO2 C 30 60.046 2.988 -6.844
40 H1* C 30 H1' C 30 58.337 5.316 -6.480
41 1H4 C 30 H42 C 30 54.568 4.500 -1.405
42 2H4 C 30 H41 C 30 53.165 4.550 -2.449
43 H5 C 30 H5 C 30 53.333 4.630 -4.857
44 H6 C 30 H6 C 30 54.872 4.700 -6.746
45 1H5* C 31 H5' C 31 60.116 1.220 -7.581
46 2H5* C 31 'H5' C 31 60.361 -0.489 -7.991
47 H4* C 31 H4' C 31 61.716 -0.115 -6.135
48 H3* C 31 H3' C 31 59.179 -1.507 -5.318
49 H2* C 31 H2' C 31 59.943 -1.484 -3.036
50 2HO* C 31 'HO2 C 31 62.338 -0.189 -3.494
51 H1* C 31 H1' C 31 60.932 1.144 -3.108
52 1H4 C 31 H42 C 31 55.071 1.498 -0.669
53 2H4 C 31 H41 C 31 54.405 1.673 -2.278
54 H5 C 31 H5 C 31 55.765 1.500 -4.280
55 H6 C 31 H6 C 31 58.010 1.076 -5.130
56 1H5* C 32 H5' C 32 61.933 -3.167 -3.313
57 2H5* C 32 'H5' C 32 61.821 -4.917 -3.036
58 H4* C 32 H4' C 32 61.713 -3.669 -0.955
59 H3* C 32 H3' C 32 59.334 -5.307 -1.746
60 H2* C 32 H2' C 32 58.134 -4.547 0.196
61 2HO* C 32 'HO2 C 32 59.464 -4.361 1.876
62 H1* C 32 H1' C 32 58.821 -1.865 -0.055
63 1H4 C 32 H42 C 32 53.454 -2.287 -3.411
64 2H4 C 32 H41 C 32 54.337 -2.904 -4.790
65 H5 C 32 H5 C 32 56.704 -3.418 -4.714
66 H6 C 32 H6 C 32 58.693 -3.448 -3.303
67 1H5* U 33 H5' U 33 58.502 -6.862 1.604
68 2H5* U 33 'H5' U 33 59.514 -8.318 1.633
69 H4* U 33 H4' U 33 57.436 -9.064 2.328
70 H3* U 33 H3' U 33 57.892 -9.732 -0.553
71 H2* U 33 H2' U 33 55.668 -10.634 -0.726
72 2HO* U 33 'HO2 U 33 55.327 -11.694 1.166
73 H1* U 33 H1' U 33 54.395 -8.558 0.612
74 H3 U 33 H3 U 33 53.475 -7.969 -3.810
75 H5 U 33 H5 U 33 57.211 -6.150 -3.198
76 H6 U 33 H6 U 33 57.236 -7.115 -0.994
77 1H5* U 34 H5' U 34 56.620 -13.894 0.443
78 2H5* U 34 'H5' U 34 58.274 -14.507 0.627
79 H4* U 34 H4' U 34 57.988 -14.993 -1.956
80 H3* U 34 H3' U 34 55.143 -14.765 -1.053
81 H2* U 34 H2' U 34 54.593 -16.825 -2.165
82 2HO* U 34 'HO2 U 34 57.201 -17.251 -3.088
83 H1* U 34 H1' U 34 56.800 -18.256 -1.281
84 H3 U 34 H3 U 34 52.974 -19.456 1.019
85 H5 U 34 H5 U 34 54.958 -16.570 3.335
86 H6 U 34 H6 U 34 56.390 -16.150 1.446
87 1H5* A 35 H5' A 35 52.284 -12.721 -2.189
88 2H5* A 35 'H5' A 35 53.435 -13.156 -0.909
89 H4* A 35 H4' A 35 51.109 -14.931 -1.547
90 H3* A 35 H3' A 35 50.915 -12.332 -0.081
91 H2* A 35 H2' A 35 49.648 -13.367 1.683
92 2HO* A 35 'HO2 A 35 48.571 -14.794 -0.015
93 H1* A 35 H1' A 35 51.249 -15.615 1.948
94 H8 A 35 H8 A 35 54.034 -13.547 1.333
95 1H6 A 35 H62 A 35 53.224 -10.639 6.739
96 2H6 A 35 H61 A 35 54.338 -10.939 5.424
97 H2 A 35 H2 A 35 49.460 -12.885 5.788
98 1H5* C 36 H5' C 36 47.615 -9.311 -1.186
99 2H5* C 36 'H5' C 36 48.892 -9.177 0.040
100 H4* C 36 H4' C 36 45.964 -9.714 0.393
101 H3* C 36 H3' C 36 47.820 -7.565 1.338
102 H2* C 36 H2' C 36 46.665 -7.455 3.445
103 2HO* C 36 'HO2 C 36 44.734 -8.957 2.011
104 H1* C 36 H1' C 36 46.479 -10.202 3.840
105 1H4 C 36 H42 C 36 51.936 -8.393 6.599
106 2H4 C 36 H41 C 36 52.794 -8.965 5.187
107 H5 C 36 H5 C 36 51.666 -9.710 3.175
108 H6 C 36 H6 C 36 49.494 -10.056 2.119
109 1H5* A 37 H5' A 37 46.314 -3.187 2.287
110 2H5* A 37 'H5' A 37 47.861 -3.866 1.746
111 H4* A 37 H4' A 37 46.635 -3.875 4.479
112 H3* A 37 H3' A 37 49.164 -2.773 3.328
113 H2* A 37 H2' A 37 50.385 -3.373 5.313
114 2HO* A 37 'HO2 A 37 48.290 -2.861 6.590
115 H1* A 37 H1' A 37 49.350 -5.929 5.564
116 H8 A 37 H8 A 37 49.400 -5.851 1.958
117 1H6 A 37 H62 A 37 55.560 -6.459 2.069
118 2H6 A 37 H61 A 37 54.128 -6.544 1.068
119 H2 A 37 H2 A 37 54.196 -5.359 6.196
120 1H5* A 38 H5' A 38 48.744 -0.943 7.579
121 2H5* A 38 'H5' A 38 49.298 0.708 7.243
122 H4* A 38 H4' A 38 50.414 -0.580 9.145
123 H3* A 38 H3' A 38 51.912 0.960 7.050
124 H2* A 38 H2' A 38 53.990 0.254 8.027
125 2HO* A 38 'HO2 A 38 53.663 -1.169 10.038
126 H1* A 38 H1' A 38 53.212 -2.404 8.491
127 H8 A 38 H8 A 38 51.934 -1.093 5.172
128 1H6 A 38 H62 A 38 57.275 -3.107 2.771
129 2H6 A 38 H61 A 38 55.693 -2.454 2.406
130 H2 A 38 H2 A 38 57.538 -3.445 7.234
131 1H5* G 39 H5' G 39 54.198 1.719 9.843
132 2H5* G 39 'H5' G 39 54.607 3.439 9.990
133 H4* G 39 H4' G 39 56.589 2.152 9.537
134 H3* G 39 H3' G 39 55.734 3.969 7.292
135 H2* G 39 H2' G 39 57.707 3.261 6.089
136 2HO* G 39 'HO2 G 39 58.371 1.918 8.525
137 H1* G 39 H1' G 39 57.357 0.548 6.648
138 H8 G 39 H8 G 39 53.912 1.740 6.187
139 H1 G 39 H1 G 39 57.090 1.223 0.639
140 1H2 G 39 H22 G 39 59.235 1.001 0.996
141 2H2 G 39 H21 G 39 59.902 0.948 2.619
142 1H5* G 40 H5' G 40 59.659 4.532 7.746
143 2H5* G 40 'H5' G 40 60.083 6.232 8.027
144 H4* G 40 H4' G 40 61.529 5.466 6.350
145 H3* G 40 H3' G 40 59.340 7.173 5.180
146 H2* G 40 H2' G 40 60.363 6.864 3.019
147 2HO* G 40 'HO2 G 40 62.450 5.521 4.440
148 H1* G 40 H1' G 40 60.777 4.123 3.330
149 H8 G 40 H8 G 40 57.525 4.676 4.965
150 H1 G 40 H1 G 40 57.145 4.726 -1.436
151 1H2 G 40 H22 G 40 59.144 4.957 -2.309
152 2H2 G 40 H21 G 40 60.588 5.057 -1.319
153 1H5* A 41 H5' A 41 62.979 8.175 3.665
154 2H5* A 41 'H5' A 41 63.309 9.917 3.675
155 H4* A 41 H4' A 41 63.848 9.049 1.522
156 H3* A 41 H3' A 41 61.379 10.771 1.539
157 H2* A 41 H2' A 41 61.207 10.432 -0.844
158 2HO* A 41 'HO2 A 41 63.773 9.210 -0.547
159 H1* A 41 H1' A 41 61.684 7.684 -0.744
160 H8 A 41 H8 A 41 59.657 8.376 2.289
161 1H6 A 41 H62 A 41 54.658 8.355 -1.341
162 2H6 A 41 H61 A 41 55.233 8.459 0.314
163 H2 A 41 H2 A 41 58.275 8.361 -3.978
164 1H5* G 42 H5' G 42 63.488 11.822 -1.715
165 2H5* G 42 'H5' G 42 63.857 13.559 -1.713
166 H4* G 42 H4' G 42 63.026 13.056 -3.851
167 H3* G 42 H3' G 42 60.950 14.471 -2.188
168 H2* G 42 H2' G 42 59.484 14.396 -4.102
169 2HO* G 42 'HO2 G 42 61.808 13.457 -5.477
170 H1* G 42 H1' G 42 60.072 11.733 -4.754
171 H8 G 42 H8 G 42 59.965 11.773 -1.066
172 H1 G 42 H1 G 42 54.137 11.972 -3.740
173 1H2 G 42 H22 G 42 54.295 12.397 -5.887
174 2H2 G 42 H21 G 42 55.854 12.660 -6.657
175 1H5* G 43 H5' G 43 60.880 16.146 -5.865
176 2H5* G 43 'H5' G 43 61.048 17.911 -5.779
177 H4* G 43 H4' G 43 59.206 17.439 -7.182
178 H3* G 43 H3' G 43 58.339 18.463 -4.487
179 H2* G 43 H2' G 43 56.058 18.336 -5.250
180 2HO* G 43 'HO2 G 43 57.231 17.812 -7.806
181 H1* G 43 H1' G 43 56.373 15.846 -6.534
182 H8 G 43 H8 G 43 58.252 15.550 -3.366
183 H1 G 43 H1 G 43 51.901 15.076 -2.571
184 1H2 G 43 H22 G 43 50.854 15.744 -4.394
185 2H2 G 43 H21 G 43 51.729 16.289 -5.812
186 H3T G 43 H3T G 43 59.187 19.469 -6.815
Start of MODEL 11
1 1H5* C 27 1H5' C 27 43.617 14.070 -0.650
2 2H5* C 27 2H5' C 27 43.201 12.491 -1.343
3 H4* C 27 H4' C 27 43.735 13.830 -3.170
4 H3* C 27 H3' C 27 46.025 12.009 -2.491
5 H2* C 27 H2' C 27 47.273 12.970 -4.314
6 2HO* C 27 2HO' C 27 46.178 13.661 -5.999
7 H1* C 27 H1' C 27 46.609 15.614 -3.733
8 1H4 C 27 H42 C 27 52.100 14.528 -0.697
9 2H4 C 27 H41 C 27 51.202 14.061 0.730
10 H5 C 27 H5 C 27 48.795 13.831 0.755
11 H6 C 27 H6 C 27 46.758 14.021 -0.577
12 H5T C 27 H5T C 27 44.582 12.100 0.330
13 1H5* C 28 H5' C 28 45.610 11.830 -6.469
14 2H5* C 28 'H5' C 28 45.375 10.179 -7.078
15 H4* C 28 H4' C 28 47.043 11.099 -8.424
16 H3* C 28 H3' C 28 48.292 9.302 -6.352
17 H2* C 28 H2' C 28 50.431 9.786 -7.361
18 2HO* C 28 'HO2 C 28 50.477 10.234 -9.435
19 H1* C 28 H1' C 28 49.976 12.530 -7.573
20 1H4 C 28 H42 C 28 52.963 11.737 -2.014
21 2H4 C 28 H41 C 28 51.404 11.626 -1.213
22 H5 C 28 H5 C 28 49.320 11.530 -2.412
23 H6 C 28 H6 C 28 48.283 11.574 -4.619
24 1H5* U 29 H5' U 29 49.890 8.400 -9.977
25 2H5* U 29 'H5' U 29 49.891 6.662 -10.334
26 H4* U 29 H4' U 29 52.055 7.510 -10.800
27 H3* U 29 H3' U 29 52.014 5.828 -8.299
28 H2* U 29 H2' U 29 54.382 6.206 -8.101
29 2HO* U 29 'HO2 U 29 55.552 6.663 -9.814
30 H1* U 29 H1' U 29 54.255 8.933 -8.677
31 H3 U 29 H3 U 29 55.193 8.247 -4.222
32 H5 U 29 H5 U 29 51.010 8.528 -4.557
33 H6 U 29 H6 U 29 51.273 8.351 -6.940
34 1H5* C 30 H5' C 30 55.341 4.890 -10.486
35 2H5* C 30 'H5' C 30 55.478 3.137 -10.726
36 H4* C 30 H4' C 30 57.582 4.005 -9.971
37 H3* C 30 H3' C 30 56.166 2.268 -7.968
38 H2* C 30 H2' C 30 58.016 2.598 -6.457
39 2HO* C 30 'HO2 C 30 59.953 3.024 -7.234
40 H1* C 30 H1' C 30 58.238 5.345 -6.901
41 1H4 C 30 H42 C 30 54.439 4.569 -1.840
42 2H4 C 30 H41 C 30 53.044 4.606 -2.894
43 H5 C 30 H5 C 30 53.225 4.664 -5.302
44 H6 C 30 H6 C 30 54.776 4.725 -7.183
45 1H5* C 31 H5' C 31 60.075 1.211 -7.984
46 2H5* C 31 'H5' C 31 60.282 -0.515 -8.340
47 H4* C 31 H4' C 31 61.641 -0.070 -6.486
48 H3* C 31 H3' C 31 59.124 -1.506 -5.694
49 H2* C 31 H2' C 31 59.825 -1.432 -3.399
50 2HO* C 31 'HO2 C 31 62.325 -0.605 -4.510
51 H1* C 31 H1' C 31 60.816 1.201 -3.486
52 1H4 C 31 H42 C 31 54.945 1.570 -1.080
53 2H4 C 31 H41 C 31 54.285 1.734 -2.694
54 H5 C 31 H5 C 31 55.659 1.544 -4.688
55 H6 C 31 H6 C 31 57.907 1.114 -5.523
56 1H5* C 32 H5' C 32 61.710 -3.033 -3.181
57 2H5* C 32 'H5' C 32 61.387 -4.763 -2.949
58 H4* C 32 H4' C 32 61.036 -3.141 -0.982
59 H3* C 32 H3' C 32 59.217 -5.385 -1.757
60 H2* C 32 H2' C 32 57.614 -4.713 -0.095
61 2HO* C 32 'HO2 C 32 59.788 -3.763 1.107
62 H1* C 32 H1' C 32 57.689 -1.998 -0.663
63 1H4 C 32 H42 C 32 53.141 -4.339 -4.454
64 2H4 C 32 H41 C 32 54.318 -4.494 -5.738
65 H5 C 32 H5 C 32 56.684 -4.095 -5.410
66 H6 C 32 H6 C 32 58.395 -3.467 -3.788
67 1H5* U 33 H5' U 33 58.154 -6.749 1.601
68 2H5* U 33 'H5' U 33 59.360 -8.015 1.906
69 H4* U 33 H4' U 33 57.207 -8.951 2.241
70 H3* U 33 H3' U 33 58.645 -9.928 -0.192
71 H2* U 33 H2' U 33 56.739 -11.248 -0.837
72 2HO* U 33 'HO2 U 33 55.898 -10.637 1.808
73 H1* U 33 H1' U 33 54.833 -9.287 -0.385
74 H3 U 33 H3 U 33 55.466 -9.564 -4.902
75 H5 U 33 H5 U 33 58.343 -6.839 -3.512
76 H6 U 33 H6 U 33 57.750 -7.475 -1.269
77 1H5* U 34 H5' U 34 56.859 -13.723 1.655
78 2H5* U 34 'H5' U 34 58.420 -14.328 2.245
79 H4* U 34 H4' U 34 58.339 -15.574 -0.120
80 H3* U 34 H3' U 34 55.450 -15.042 0.470
81 H2* U 34 H2' U 34 54.910 -17.335 -0.013
82 2HO* U 34 'HO2 U 34 57.637 -17.777 -0.709
83 H1* U 34 H1' U 34 57.026 -18.454 1.403
84 H3 U 34 H3 U 34 53.032 -18.952 3.669
85 H5 U 34 H5 U 34 54.873 -15.489 5.168
86 H6 U 34 H6 U 34 56.451 -15.636 3.356
87 1H5* A 35 H5' A 35 52.685 -13.180 -1.026
88 2H5* A 35 'H5' A 35 53.953 -13.265 0.214
89 H4* A 35 H4' A 35 51.627 -15.155 0.225
90 H3* A 35 H3' A 35 51.547 -12.301 1.123
91 H2* A 35 H2' A 35 50.442 -12.947 3.160
92 2HO* A 35 'HO2 A 35 49.050 -14.529 2.261
93 H1* A 35 H1' A 35 52.066 -15.139 3.710
94 H8 A 35 H8 A 35 54.682 -13.055 2.428
95 1H6 A 35 H62 A 35 54.414 -9.565 7.535
96 2H6 A 35 H61 A 35 55.356 -9.962 6.117
97 H2 A 35 H2 A 35 50.721 -12.105 7.391
98 1H5* C 36 H5' C 36 48.079 -9.545 0.047
99 2H5* C 36 'H5' C 36 49.357 -9.262 1.243
100 H4* C 36 H4' C 36 46.446 -9.828 1.664
101 H3* C 36 H3' C 36 48.269 -7.574 2.404
102 H2* C 36 H2' C 36 47.141 -7.304 4.511
103 2HO* C 36 'HO2 C 36 45.214 -8.431 4.945
104 H1* C 36 H1' C 36 47.036 -10.001 5.157
105 1H4 C 36 H42 C 36 52.543 -7.811 7.525
106 2H4 C 36 H41 C 36 53.365 -8.551 6.169
107 H5 C 36 H5 C 36 52.188 -9.546 4.301
108 H6 C 36 H6 C 36 49.990 -10.031 3.360
109 1H5* A 37 H5' A 37 45.769 -5.559 3.467
110 2H5* A 37 'H5' A 37 45.965 -3.841 3.071
111 H4* A 37 H4' A 37 46.594 -4.474 5.397
112 H3* A 37 H3' A 37 48.487 -3.020 3.593
113 H2* A 37 H2' A 37 50.208 -3.116 5.273
114 2HO* A 37 'HO2 A 37 48.959 -4.551 7.193
115 H1* A 37 H1' A 37 49.839 -5.785 5.936
116 H8 A 37 H8 A 37 49.136 -5.395 2.261
117 1H6 A 37 H62 A 37 55.222 -6.095 1.361
118 2H6 A 37 H61 A 37 53.658 -6.008 0.584
119 H2 A 37 H2 A 37 54.511 -5.621 5.764
120 1H5* A 38 H5' A 38 48.337 -0.389 7.585
121 2H5* A 38 'H5' A 38 49.100 1.086 6.961
122 H4* A 38 H4' A 38 50.196 -0.282 8.899
123 H3* A 38 H3' A 38 51.620 1.085 6.638
124 H2* A 38 H2' A 38 53.711 0.209 7.444
125 2HO* A 38 'HO2 A 38 53.955 -0.297 9.511
126 H1* A 38 H1' A 38 52.759 -2.369 7.966
127 H8 A 38 H8 A 38 51.205 -0.935 4.825
128 1H6 A 38 H62 A 38 56.059 -3.312 1.803
129 2H6 A 38 H61 A 38 54.496 -2.543 1.629
130 H2 A 38 H2 A 38 56.829 -3.707 6.201
131 1H5* G 39 H5' G 39 53.922 1.828 9.283
132 2H5* G 39 'H5' G 39 54.407 3.504 9.608
133 H4* G 39 H4' G 39 56.372 2.284 9.128
134 H3* G 39 H3' G 39 55.566 4.080 6.853
135 H2* G 39 H2' G 39 57.543 3.345 5.674
136 2HO* G 39 'HO2 G 39 58.174 2.036 8.137
137 H1* G 39 H1' G 39 57.170 0.641 6.246
138 H8 G 39 H8 G 39 53.730 1.847 5.767
139 H1 G 39 H1 G 39 56.934 1.296 0.236
140 1H2 G 39 H22 G 39 59.077 1.072 0.605
141 2H2 G 39 H21 G 39 59.737 1.024 2.230
142 1H5* G 40 H5' G 40 59.464 4.639 7.340
143 2H5* G 40 'H5' G 40 59.908 6.334 7.623
144 H4* G 40 H4' G 40 61.353 5.561 5.953
145 H3* G 40 H3' G 40 59.178 7.265 4.760
146 H2* G 40 H2' G 40 60.211 6.939 2.606
147 2HO* G 40 'HO2 G 40 62.286 5.598 4.049
148 H1* G 40 H1' G 40 60.615 4.198 2.940
149 H8 G 40 H8 G 40 57.355 4.763 4.549
150 H1 G 40 H1 G 40 57.014 4.790 -1.854
151 1H2 G 40 H22 G 40 59.018 5.012 -2.718
152 2H2 G 40 H21 G 40 60.457 5.118 -1.717
153 1H5* A 41 H5' A 41 62.831 8.242 3.260
154 2H5* A 41 'H5' A 41 63.164 9.983 3.250
155 H4* A 41 H4' A 41 63.714 9.082 1.112
156 H3* A 41 H3' A 41 61.260 10.822 1.094
157 H2* A 41 H2' A 41 61.102 10.459 -1.287
158 2HO* A 41 'HO2 A 41 63.648 9.196 -0.967
159 H1* A 41 H1' A 41 61.557 7.709 -1.153
160 H8 A 41 H8 A 41 59.512 8.446 1.858
161 1H6 A 41 H62 A 41 54.542 8.436 -1.813
162 2H6 A 41 H61 A 41 55.103 8.546 -0.155
163 H2 A 41 H2 A 41 58.179 8.385 -4.419
164 1H5* G 42 H5' G 42 63.419 11.823 -2.159
165 2H5* G 42 'H5' G 42 63.791 13.558 -2.171
166 H4* G 42 H4' G 42 62.984 13.025 -4.315
167 H3* G 42 H3' G 42 60.908 14.488 -2.696
168 H2* G 42 H2' G 42 59.457 14.396 -4.621
169 2HO* G 42 'HO2 G 42 61.733 13.327 -5.987
170 H1* G 42 H1' G 42 60.024 11.717 -5.226
171 H8 G 42 H8 G 42 59.888 11.816 -1.540
172 H1 G 42 H1 G 42 54.085 12.032 -4.262
173 1H2 G 42 H22 G 42 54.263 12.424 -6.414
174 2H2 G 42 H21 G 42 55.830 12.660 -7.175
175 1H5* G 43 H5' G 43 60.892 16.103 -6.402
176 2H5* G 43 'H5' G 43 61.074 17.867 -6.344
177 H4* G 43 H4' G 43 59.240 17.384 -7.758
178 H3* G 43 H3' G 43 58.365 18.475 -5.092
179 H2* G 43 H2' G 43 56.086 18.355 -5.866
180 2HO* G 43 'HO2 G 43 57.270 17.769 -8.404
181 H1* G 43 H1' G 43 56.384 15.835 -7.100
182 H8 G 43 H8 G 43 58.238 15.579 -3.915
183 H1 G 43 H1 G 43 51.877 15.184 -3.156
184 1H2 G 43 H22 G 43 50.847 15.833 -4.996
185 2H2 G 43 H21 G 43 51.738 16.345 -6.417
186 H3T G 43 H3T G 43 59.512 19.553 -6.992
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