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 | program | type | subtype | subsubtype |
|
|
432079 |
2jrq   |
15342 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jrq
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 569
_Distance_constraint_stats_list.Viol_count 1287
_Distance_constraint_stats_list.Viol_total 377.323
_Distance_constraint_stats_list.Viol_max 0.139
_Distance_constraint_stats_list.Viol_rms 0.0157
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0055
_Distance_constraint_stats_list.Viol_average_violations_only 0.0267
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 C 3.053 0.069 10 0 "[ . 1 ]"
1 2 C 7.160 0.074 7 0 "[ . 1 ]"
1 3 U 8.918 0.128 5 0 "[ . 1 ]"
1 4 C 10.667 0.139 4 0 "[ . 1 ]"
1 5 C 4.854 0.080 5 0 "[ . 1 ]"
1 6 C 0.041 0.007 11 0 "[ . 1 ]"
1 7 U 0.040 0.007 11 0 "[ . 1 ]"
1 8 CM0 0.027 0.013 11 0 "[ . 1 ]"
1 9 A 1.101 0.126 11 0 "[ . 1 ]"
1 10 C 0.052 0.020 11 0 "[ . 1 ]"
1 11 A 0.005 0.005 6 0 "[ . 1 ]"
1 12 A 0.011 0.007 7 0 "[ . 1 ]"
1 13 G 3.416 0.050 7 0 "[ . 1 ]"
1 14 G 6.439 0.105 5 0 "[ . 1 ]"
1 15 A 8.217 0.139 4 0 "[ . 1 ]"
1 16 G 5.346 0.080 5 0 "[ . 1 ]"
1 17 G 3.341 0.072 4 0 "[ . 1 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 C H1' 1 1 C H2' 2.805 2.705 2.905 2.788 2.786 2.791 . 0 0 "[ . 1 ]" 1
2 1 1 C H1' 1 1 C H3' 3.857 3.757 3.957 3.857 3.853 3.858 . 0 0 "[ . 1 ]" 1
3 1 1 C H1' 1 1 C H4' 3.398 3.298 3.498 3.430 3.408 3.435 . 0 0 "[ . 1 ]" 1
4 1 1 C H1' 1 1 C H5' 4.577 4.477 4.677 4.572 4.564 4.629 . 0 0 "[ . 1 ]" 1
5 1 1 C H1' 1 1 C HO2' 2.989 2.889 3.089 3.023 3.021 3.027 . 0 0 "[ . 1 ]" 1
6 1 1 C H1' 1 1 C H6 3.520 3.420 3.620 3.537 3.536 3.540 . 0 0 "[ . 1 ]" 1
7 1 1 C H1' 1 2 C H5' 4.676 4.576 4.776 4.778 4.776 4.782 0.006 4 0 "[ . 1 ]" 1
8 1 1 C H1' 1 2 C H6 4.297 4.197 4.397 4.462 4.460 4.463 0.066 4 0 "[ . 1 ]" 1
9 1 1 C H1' 1 2 C H5 4.979 4.879 5.079 5.069 5.056 5.082 0.003 7 0 "[ . 1 ]" 1
10 1 1 C H2' 1 1 C H3' 2.425 2.325 2.525 2.409 2.409 2.410 . 0 0 "[ . 1 ]" 1
11 1 1 C H2' 1 1 C H4' 3.813 3.713 3.913 3.816 3.805 3.818 . 0 0 "[ . 1 ]" 1
12 1 1 C H2' 1 1 C HO2' 2.192 2.092 2.292 2.124 2.123 2.125 . 0 0 "[ . 1 ]" 1
13 1 1 C H2' 1 1 C H6 3.999 3.899 4.099 3.920 3.917 3.924 . 0 0 "[ . 1 ]" 1
14 1 1 C H2' 1 2 C H1' 4.193 4.093 4.293 4.259 4.246 4.284 . 0 0 "[ . 1 ]" 1
15 1 1 C H2' 1 2 C H3' 4.263 4.163 4.363 4.324 4.313 4.335 . 0 0 "[ . 1 ]" 1
16 1 1 C H2' 1 2 C H4' 4.441 4.341 4.541 4.526 4.512 4.545 0.004 4 0 "[ . 1 ]" 1
17 1 1 C H2' 1 2 C H5' 2.890 2.790 2.990 2.953 2.945 2.967 . 0 0 "[ . 1 ]" 1
18 1 1 C H2' 1 2 C H5'' 4.268 4.168 4.368 4.362 4.358 4.366 . 0 0 "[ . 1 ]" 1
19 1 1 C H2' 1 2 C H6 1.583 . 1.683 1.748 1.745 1.752 0.069 10 0 "[ . 1 ]" 1
20 1 1 C H2' 1 2 C H5 3.089 2.989 3.189 3.132 3.106 3.156 . 0 0 "[ . 1 ]" 1
21 1 1 C H3' 1 1 C H4' 3.007 2.907 3.107 3.004 3.003 3.007 . 0 0 "[ . 1 ]" 1
22 1 1 C H3' 1 1 C H5' 3.687 3.587 3.787 3.670 3.662 3.719 . 0 0 "[ . 1 ]" 1
23 1 1 C H3' 1 1 C H5'' 3.085 2.985 3.185 3.077 2.979 3.094 0.006 4 0 "[ . 1 ]" 1
24 1 1 C H3' 1 1 C HO2' 3.993 3.893 4.093 3.880 3.878 3.882 0.015 4 0 "[ . 1 ]" 1
25 1 1 C H3' 1 1 C H6 2.988 2.888 3.088 2.875 2.872 2.880 0.016 6 0 "[ . 1 ]" 1
26 1 1 C H3' 1 1 C H5 4.769 4.669 4.869 4.639 4.636 4.644 0.033 2 0 "[ . 1 ]" 1
27 1 1 C H3' 1 2 C H5' 3.958 3.858 4.058 4.006 3.995 4.027 . 0 0 "[ . 1 ]" 1
28 1 1 C H3' 1 2 C H5'' 4.908 4.808 5.008 4.981 4.977 4.990 . 0 0 "[ . 1 ]" 1
29 1 1 C H3' 1 2 C H6 3.104 3.004 3.204 3.136 3.126 3.164 . 0 0 "[ . 1 ]" 1
30 1 1 C H3' 1 2 C H5 3.313 3.213 3.413 3.319 3.296 3.336 . 0 0 "[ . 1 ]" 1
31 1 1 C H4' 1 1 C H5' 2.534 2.434 2.634 2.528 2.461 2.539 . 0 0 "[ . 1 ]" 1
32 1 1 C H4' 1 1 C H5'' 2.370 2.270 2.470 2.334 2.325 2.387 . 0 0 "[ . 1 ]" 1
33 1 1 C H4' 1 1 C HO2' 3.778 3.678 3.878 3.739 3.720 3.743 . 0 0 "[ . 1 ]" 1
34 1 1 C H4' 1 1 C H6 4.053 3.953 4.153 3.989 3.985 4.007 . 0 0 "[ . 1 ]" 1
35 1 1 C H4' 1 2 C H5' 4.167 4.067 4.267 4.288 4.284 4.291 0.024 8 0 "[ . 1 ]" 1
36 1 1 C H5' 1 1 C H5'' 1.776 . 1.876 1.774 1.773 1.774 . 0 0 "[ . 1 ]" 1
37 1 1 C H5' 1 1 C H6 3.241 3.141 3.341 3.159 3.132 3.351 0.010 4 0 "[ . 1 ]" 1
38 1 1 C H5'' 1 1 C H6 4.055 3.955 4.155 3.945 3.937 3.952 0.018 4 0 "[ . 1 ]" 1
39 1 1 C HO2' 1 2 C H1' 4.151 4.051 4.251 4.264 4.261 4.271 0.020 5 0 "[ . 1 ]" 1
40 1 1 C HO2' 1 2 C H3' 4.845 4.745 4.945 4.859 4.849 4.866 . 0 0 "[ . 1 ]" 1
41 1 1 C HO2' 1 2 C H4' 3.522 3.422 3.622 3.634 3.632 3.637 0.015 5 0 "[ . 1 ]" 1
42 1 1 C HO2' 1 2 C H5' 1.994 . 2.094 1.974 1.968 1.979 . 0 0 "[ . 1 ]" 1
43 1 1 C HO2' 1 2 C H5'' 3.738 3.638 3.838 3.733 3.727 3.737 . 0 0 "[ . 1 ]" 1
44 1 1 C HO2' 1 2 C H6 3.221 3.121 3.321 3.260 3.234 3.281 . 0 0 "[ . 1 ]" 1
45 1 1 C H41 1 1 C H42 1.784 . 1.884 1.750 1.749 1.751 . 0 0 "[ . 1 ]" 1
46 1 1 C H42 1 1 C H6 4.651 4.551 4.751 4.631 4.629 4.633 . 0 0 "[ . 1 ]" 1
47 1 1 C H42 1 1 C H5 2.426 2.326 2.526 2.417 2.415 2.419 . 0 0 "[ . 1 ]" 1
48 1 1 C H42 1 2 C H42 3.221 3.121 3.321 3.127 3.121 3.137 0.000 7 0 "[ . 1 ]" 1
49 1 1 C H42 1 2 C H41 4.124 4.024 4.224 4.004 4.002 4.006 0.022 3 0 "[ . 1 ]" 1
50 1 1 C H42 1 2 C H5 4.475 4.375 4.575 4.463 4.445 4.482 . 0 0 "[ . 1 ]" 1
51 1 1 C H41 1 1 C H5 3.708 3.608 3.808 3.677 3.675 3.678 . 0 0 "[ . 1 ]" 1
52 1 1 C H41 1 2 C H42 3.066 2.966 3.166 3.029 3.025 3.036 . 0 0 "[ . 1 ]" 1
53 1 1 C H41 1 2 C H41 3.264 3.164 3.364 3.200 3.197 3.204 . 0 0 "[ . 1 ]" 1
54 1 1 C H41 1 2 C H5 4.393 4.293 4.493 4.440 4.429 4.452 . 0 0 "[ . 1 ]" 1
55 1 1 C H5 1 1 C H6 2.457 2.357 2.557 2.440 2.439 2.441 . 0 0 "[ . 1 ]" 1
56 1 1 C H6 1 2 C H6 4.951 4.851 5.051 4.976 4.956 5.003 . 0 0 "[ . 1 ]" 1
57 1 1 C H6 1 2 C H5 4.001 3.901 4.101 4.020 4.016 4.034 . 0 0 "[ . 1 ]" 1
58 1 1 C H5 1 2 C H42 4.046 3.946 4.146 3.942 3.938 3.944 0.008 3 0 "[ . 1 ]" 1
59 1 1 C H5 1 2 C H5 3.995 3.895 4.095 3.961 3.943 3.980 . 0 0 "[ . 1 ]" 1
60 1 2 C H1' 1 2 C H2' 2.805 2.705 2.905 2.790 2.788 2.792 . 0 0 "[ . 1 ]" 1
61 1 2 C H1' 1 2 C H3' 3.857 3.757 3.957 3.842 3.839 3.845 . 0 0 "[ . 1 ]" 1
62 1 2 C H1' 1 2 C H4' 3.398 3.298 3.498 3.376 3.369 3.383 . 0 0 "[ . 1 ]" 1
63 1 2 C H1' 1 2 C H5' 4.577 4.477 4.677 4.557 4.555 4.558 . 0 0 "[ . 1 ]" 1
64 1 2 C H1' 1 2 C HO2' 2.989 2.889 3.089 2.971 2.907 2.996 . 0 0 "[ . 1 ]" 1
65 1 2 C H1' 1 2 C H6 3.521 3.421 3.621 3.534 3.531 3.535 . 0 0 "[ . 1 ]" 1
66 1 2 C H1' 1 3 U H5' 4.677 4.577 4.777 4.772 4.765 4.776 . 0 0 "[ . 1 ]" 1
67 1 2 C H1' 1 3 U H6 4.282 4.182 4.382 4.423 4.419 4.430 0.048 2 0 "[ . 1 ]" 1
68 1 2 C H1' 1 3 U H5 4.941 4.841 5.041 5.105 5.095 5.115 0.074 7 0 "[ . 1 ]" 1
69 1 2 C H2' 1 2 C H3' 2.425 2.325 2.525 2.412 2.410 2.414 . 0 0 "[ . 1 ]" 1
70 1 2 C H2' 1 2 C H4' 3.813 3.713 3.913 3.790 3.785 3.796 . 0 0 "[ . 1 ]" 1
71 1 2 C H2' 1 2 C HO2' 2.193 2.093 2.293 2.125 2.123 2.130 . 0 0 "[ . 1 ]" 1
72 1 2 C H2' 1 2 C H6 4.000 3.900 4.100 3.911 3.907 3.913 . 0 0 "[ . 1 ]" 1
73 1 2 C H2' 1 3 U H1' 4.192 4.092 4.292 4.183 4.151 4.221 . 0 0 "[ . 1 ]" 1
74 1 2 C H2' 1 3 U H3' 4.263 4.163 4.363 4.350 4.339 4.358 . 0 0 "[ . 1 ]" 1
75 1 2 C H2' 1 3 U H4' 4.441 4.341 4.541 4.453 4.436 4.473 . 0 0 "[ . 1 ]" 1
76 1 2 C H2' 1 3 U H5' 2.891 2.791 2.991 3.001 2.995 3.007 0.016 9 0 "[ . 1 ]" 1
77 1 2 C H2' 1 3 U H5'' 4.268 4.168 4.368 4.337 4.333 4.340 . 0 0 "[ . 1 ]" 1
78 1 2 C H2' 1 3 U H6 1.566 . 1.666 1.722 1.717 1.729 0.063 2 0 "[ . 1 ]" 1
79 1 2 C H2' 1 3 U H5 3.030 2.930 3.130 3.120 3.115 3.125 . 0 0 "[ . 1 ]" 1
80 1 2 C H3' 1 2 C H4' 3.007 2.907 3.107 3.012 3.011 3.013 . 0 0 "[ . 1 ]" 1
81 1 2 C H3' 1 2 C H5' 3.686 3.586 3.786 3.688 3.686 3.689 . 0 0 "[ . 1 ]" 1
82 1 2 C H3' 1 2 C H5'' 3.085 2.985 3.185 3.127 3.118 3.134 . 0 0 "[ . 1 ]" 1
83 1 2 C H3' 1 2 C HO2' 3.993 3.893 4.093 3.903 3.891 3.930 0.002 9 0 "[ . 1 ]" 1
84 1 2 C H3' 1 2 C H6 2.989 2.889 3.089 2.859 2.857 2.861 0.032 9 0 "[ . 1 ]" 1
85 1 2 C H3' 1 2 C H5 4.769 4.669 4.869 4.641 4.639 4.643 0.030 4 0 "[ . 1 ]" 1
86 1 2 C H3' 1 3 U H5' 3.958 3.858 4.058 4.073 4.068 4.077 0.019 4 0 "[ . 1 ]" 1
87 1 2 C H3' 1 3 U H5'' 4.907 4.807 5.007 5.029 5.021 5.036 0.029 7 0 "[ . 1 ]" 1
88 1 2 C H3' 1 3 U H6 3.100 3.000 3.200 3.199 3.191 3.207 0.007 4 0 "[ . 1 ]" 1
89 1 2 C H3' 1 3 U H5 3.248 3.148 3.348 3.355 3.350 3.360 0.012 2 0 "[ . 1 ]" 1
90 1 2 C H4' 1 2 C H5' 2.534 2.434 2.634 2.531 2.527 2.533 . 0 0 "[ . 1 ]" 1
91 1 2 C H4' 1 2 C H5'' 2.370 2.270 2.470 2.332 2.330 2.333 . 0 0 "[ . 1 ]" 1
92 1 2 C H4' 1 2 C HO2' 3.778 3.678 3.878 3.698 3.683 3.722 . 0 0 "[ . 1 ]" 1
93 1 2 C H4' 1 2 C H6 4.053 3.953 4.153 4.023 4.013 4.032 . 0 0 "[ . 1 ]" 1
94 1 2 C H4' 1 3 U H5' 4.167 4.067 4.267 4.245 4.226 4.267 . 0 0 "[ . 1 ]" 1
95 1 2 C H5' 1 2 C H5'' 1.776 . 1.876 1.775 1.774 1.776 . 0 0 "[ . 1 ]" 1
96 1 2 C H5' 1 2 C H6 3.241 3.141 3.341 3.251 3.231 3.267 . 0 0 "[ . 1 ]" 1
97 1 2 C H5'' 1 2 C H6 4.056 3.956 4.156 4.044 4.024 4.062 . 0 0 "[ . 1 ]" 1
98 1 2 C HO2' 1 3 U H1' 4.151 4.051 4.251 4.119 4.086 4.161 . 0 0 "[ . 1 ]" 1
99 1 2 C HO2' 1 3 U H3' 4.845 4.745 4.945 4.831 4.804 4.893 . 0 0 "[ . 1 ]" 1
100 1 2 C HO2' 1 3 U H4' 3.521 3.421 3.621 3.493 3.444 3.582 . 0 0 "[ . 1 ]" 1
101 1 2 C HO2' 1 3 U H5' 1.994 . 2.094 2.020 1.986 2.096 0.002 4 0 "[ . 1 ]" 1
102 1 2 C HO2' 1 3 U H5'' 3.738 3.638 3.838 3.756 3.723 3.835 . 0 0 "[ . 1 ]" 1
103 1 2 C HO2' 1 3 U H6 3.200 3.100 3.300 3.239 3.227 3.270 . 0 0 "[ . 1 ]" 1
104 1 2 C H41 1 2 C H42 1.784 . 1.884 1.757 1.756 1.758 . 0 0 "[ . 1 ]" 1
105 1 2 C H42 1 2 C H6 4.650 4.550 4.750 4.616 4.612 4.620 . 0 0 "[ . 1 ]" 1
106 1 2 C H42 1 2 C H5 2.425 2.325 2.525 2.402 2.397 2.405 . 0 0 "[ . 1 ]" 1
107 1 2 C H42 1 3 U H5 4.531 4.431 4.631 4.553 4.530 4.569 . 0 0 "[ . 1 ]" 1
108 1 2 C H41 1 2 C H5 3.708 3.608 3.808 3.669 3.669 3.670 . 0 0 "[ . 1 ]" 1
109 1 2 C H41 1 3 U H3 4.568 4.468 4.668 4.692 4.688 4.695 0.027 5 0 "[ . 1 ]" 1
110 1 2 C H41 1 3 U H5 4.454 4.354 4.554 4.510 4.481 4.530 . 0 0 "[ . 1 ]" 1
111 1 2 C H5 1 2 C H6 2.456 2.356 2.556 2.439 2.437 2.440 . 0 0 "[ . 1 ]" 1
112 1 2 C H6 1 3 U H6 4.950 4.850 5.050 4.977 4.973 4.981 . 0 0 "[ . 1 ]" 1
113 1 2 C H6 1 3 U H5 3.980 3.880 4.080 4.083 4.073 4.089 0.009 9 0 "[ . 1 ]" 1
114 1 2 C H5 1 3 U H5 4.017 3.917 4.117 4.045 4.028 4.059 . 0 0 "[ . 1 ]" 1
115 1 3 U H1' 1 3 U H2' 2.805 2.705 2.905 2.790 2.789 2.791 . 0 0 "[ . 1 ]" 1
116 1 3 U H1' 1 3 U H3' 3.857 3.757 3.957 3.846 3.843 3.848 . 0 0 "[ . 1 ]" 1
117 1 3 U H1' 1 3 U H4' 3.397 3.297 3.497 3.372 3.369 3.373 . 0 0 "[ . 1 ]" 1
118 1 3 U H1' 1 3 U H5' 4.576 4.476 4.676 4.586 4.584 4.588 . 0 0 "[ . 1 ]" 1
119 1 3 U H1' 1 3 U HO2' 2.990 2.890 3.090 2.856 2.848 2.863 0.042 7 0 "[ . 1 ]" 1
120 1 3 U H1' 1 3 U H3 4.622 4.522 4.722 4.603 4.602 4.607 . 0 0 "[ . 1 ]" 1
121 1 3 U H1' 1 3 U H6 3.514 3.414 3.614 3.506 3.501 3.512 . 0 0 "[ . 1 ]" 1
122 1 3 U H1' 1 4 C H5' 4.677 4.577 4.777 4.567 4.562 4.575 0.015 6 0 "[ . 1 ]" 1
123 1 3 U H1' 1 4 C H6 4.320 4.220 4.420 4.491 4.486 4.493 0.073 7 0 "[ . 1 ]" 1
124 1 3 U H2' 1 3 U H3' 2.425 2.325 2.525 2.408 2.406 2.410 . 0 0 "[ . 1 ]" 1
125 1 3 U H2' 1 3 U H4' 3.813 3.713 3.913 3.789 3.787 3.791 . 0 0 "[ . 1 ]" 1
126 1 3 U H2' 1 3 U HO2' 2.193 2.093 2.293 2.124 2.122 2.126 . 0 0 "[ . 1 ]" 1
127 1 3 U H2' 1 3 U H3 4.540 4.440 4.640 4.464 4.458 4.473 . 0 0 "[ . 1 ]" 1
128 1 3 U H2' 1 3 U H6 4.005 3.905 4.105 3.946 3.939 3.952 . 0 0 "[ . 1 ]" 1
129 1 3 U H2' 1 4 C H1' 4.192 4.092 4.292 4.131 4.126 4.136 . 0 0 "[ . 1 ]" 1
130 1 3 U H2' 1 4 C H3' 4.263 4.163 4.363 4.317 4.310 4.324 . 0 0 "[ . 1 ]" 1
131 1 3 U H2' 1 4 C H4' 4.442 4.342 4.542 4.315 4.312 4.319 0.030 9 0 "[ . 1 ]" 1
132 1 3 U H2' 1 4 C H5' 2.891 2.791 2.991 2.885 2.883 2.888 . 0 0 "[ . 1 ]" 1
133 1 3 U H2' 1 4 C H5'' 4.268 4.168 4.368 4.186 4.181 4.191 . 0 0 "[ . 1 ]" 1
134 1 3 U H2' 1 4 C H6 1.673 . 1.773 1.783 1.780 1.785 0.012 3 0 "[ . 1 ]" 1
135 1 3 U H3' 1 3 U H4' 3.007 2.907 3.107 3.013 3.012 3.014 . 0 0 "[ . 1 ]" 1
136 1 3 U H3' 1 3 U H5' 3.686 3.586 3.786 3.728 3.720 3.733 . 0 0 "[ . 1 ]" 1
137 1 3 U H3' 1 3 U H5'' 3.085 2.985 3.185 3.064 3.057 3.074 . 0 0 "[ . 1 ]" 1
138 1 3 U H3' 1 3 U HO2' 3.993 3.893 4.093 3.939 3.937 3.942 . 0 0 "[ . 1 ]" 1
139 1 3 U H3' 1 3 U H6 2.992 2.892 3.092 2.938 2.922 2.951 . 0 0 "[ . 1 ]" 1
140 1 3 U H3' 1 3 U H5 4.723 4.623 4.823 4.694 4.676 4.711 . 0 0 "[ . 1 ]" 1
141 1 3 U H3' 1 4 C H5' 3.958 3.858 4.058 4.085 4.077 4.092 0.034 9 0 "[ . 1 ]" 1
142 1 3 U H3' 1 4 C H5'' 4.908 4.808 5.008 5.011 5.007 5.014 0.006 7 0 "[ . 1 ]" 1
143 1 3 U H3' 1 4 C H6 3.024 2.924 3.124 3.177 3.173 3.181 0.057 7 0 "[ . 1 ]" 1
144 1 3 U H4' 1 3 U H5' 2.533 2.433 2.633 2.486 2.481 2.492 . 0 0 "[ . 1 ]" 1
145 1 3 U H4' 1 3 U H5'' 2.370 2.270 2.470 2.366 2.361 2.370 . 0 0 "[ . 1 ]" 1
146 1 3 U H4' 1 3 U HO2' 3.778 3.678 3.878 3.722 3.717 3.727 . 0 0 "[ . 1 ]" 1
147 1 3 U H4' 1 3 U H6 4.039 3.939 4.139 4.025 4.023 4.029 . 0 0 "[ . 1 ]" 1
148 1 3 U H4' 1 4 C H5' 4.167 4.067 4.267 4.203 4.194 4.214 . 0 0 "[ . 1 ]" 1
149 1 3 U H5' 1 3 U H5'' 1.776 . 1.876 1.774 1.772 1.775 . 0 0 "[ . 1 ]" 1
150 1 3 U H5' 1 3 U H6 3.223 3.123 3.323 3.334 3.331 3.339 0.016 9 0 "[ . 1 ]" 1
151 1 3 U H5'' 1 3 U H6 4.044 3.944 4.144 4.037 4.033 4.048 . 0 0 "[ . 1 ]" 1
152 1 3 U HO2' 1 4 C H1' 4.151 4.051 4.251 4.172 4.163 4.182 . 0 0 "[ . 1 ]" 1
153 1 3 U HO2' 1 4 C H3' 4.845 4.745 4.945 4.806 4.804 4.808 . 0 0 "[ . 1 ]" 1
154 1 3 U HO2' 1 4 C H4' 3.521 3.421 3.621 3.358 3.349 3.368 0.072 7 0 "[ . 1 ]" 1
155 1 3 U HO2' 1 4 C H5' 1.995 . 2.095 1.914 1.904 1.919 . 0 0 "[ . 1 ]" 1
156 1 3 U HO2' 1 4 C H5'' 3.738 3.638 3.838 3.649 3.640 3.655 . 0 0 "[ . 1 ]" 1
157 1 3 U HO2' 1 4 C H6 3.220 3.120 3.320 3.357 3.354 3.359 0.039 7 0 "[ . 1 ]" 1
158 1 3 U H3 1 3 U H6 4.817 4.717 4.917 4.772 4.772 4.774 . 0 0 "[ . 1 ]" 1
159 1 3 U H3 1 3 U H5 4.231 4.131 4.331 4.205 4.203 4.207 . 0 0 "[ . 1 ]" 1
160 1 3 U H3 1 4 C H6 4.402 4.302 4.502 4.623 4.619 4.630 0.128 5 0 "[ . 1 ]" 1
161 1 3 U H5 1 3 U H6 2.416 2.316 2.516 2.403 2.402 2.404 . 0 0 "[ . 1 ]" 1
162 1 3 U H6 1 4 C H6 4.950 4.850 5.050 5.033 5.017 5.050 0.000 7 0 "[ . 1 ]" 1
163 1 4 C H1' 1 4 C H2' 2.805 2.705 2.905 2.791 2.790 2.792 . 0 0 "[ . 1 ]" 1
164 1 4 C H1' 1 4 C H3' 3.857 3.757 3.957 3.858 3.857 3.860 . 0 0 "[ . 1 ]" 1
165 1 4 C H1' 1 4 C H4' 3.398 3.298 3.498 3.411 3.406 3.415 . 0 0 "[ . 1 ]" 1
166 1 4 C H1' 1 4 C H5' 4.577 4.477 4.677 4.626 4.621 4.630 . 0 0 "[ . 1 ]" 1
167 1 4 C H1' 1 4 C HO2' 2.989 2.889 3.089 2.911 2.902 2.930 . 0 0 "[ . 1 ]" 1
168 1 4 C H1' 1 4 C H6 3.520 3.420 3.620 3.530 3.527 3.532 . 0 0 "[ . 1 ]" 1
169 1 4 C H1' 1 5 C H5' 4.676 4.576 4.776 4.618 4.575 4.681 0.001 6 0 "[ . 1 ]" 1
170 1 4 C H1' 1 5 C H6 4.297 4.197 4.397 4.462 4.461 4.463 0.066 2 0 "[ . 1 ]" 1
171 1 4 C H1' 1 5 C H5 4.979 4.879 5.079 5.101 5.096 5.105 0.026 2 0 "[ . 1 ]" 1
172 1 4 C H2' 1 4 C H3' 2.425 2.325 2.525 2.412 2.411 2.413 . 0 0 "[ . 1 ]" 1
173 1 4 C H2' 1 4 C H4' 3.813 3.713 3.913 3.809 3.807 3.810 . 0 0 "[ . 1 ]" 1
174 1 4 C H2' 1 4 C HO2' 2.192 2.092 2.292 2.128 2.124 2.130 . 0 0 "[ . 1 ]" 1
175 1 4 C H2' 1 4 C H6 3.999 3.899 4.099 3.940 3.935 3.945 . 0 0 "[ . 1 ]" 1
176 1 4 C H2' 1 5 C H1' 4.193 4.093 4.293 4.318 4.315 4.321 0.028 11 0 "[ . 1 ]" 1
177 1 4 C H2' 1 5 C H3' 4.263 4.163 4.363 4.273 4.256 4.298 . 0 0 "[ . 1 ]" 1
178 1 4 C H2' 1 5 C H4' 4.441 4.341 4.541 4.496 4.481 4.513 . 0 0 "[ . 1 ]" 1
179 1 4 C H2' 1 5 C H5' 2.890 2.790 2.990 2.869 2.830 2.926 . 0 0 "[ . 1 ]" 1
180 1 4 C H2' 1 5 C H5'' 4.268 4.168 4.368 4.268 4.248 4.297 . 0 0 "[ . 1 ]" 1
181 1 4 C H2' 1 5 C H6 1.583 . 1.683 1.759 1.756 1.763 0.080 5 0 "[ . 1 ]" 1
182 1 4 C H2' 1 5 C H5 3.089 2.989 3.189 3.137 3.125 3.143 . 0 0 "[ . 1 ]" 1
183 1 4 C H3' 1 4 C H4' 3.007 2.907 3.107 3.006 3.005 3.007 . 0 0 "[ . 1 ]" 1
184 1 4 C H3' 1 4 C H5' 3.687 3.587 3.787 3.723 3.720 3.725 . 0 0 "[ . 1 ]" 1
185 1 4 C H3' 1 4 C H5'' 3.085 2.985 3.185 2.976 2.971 2.983 0.014 7 0 "[ . 1 ]" 1
186 1 4 C H3' 1 4 C HO2' 3.993 3.893 4.093 3.928 3.918 3.934 . 0 0 "[ . 1 ]" 1
187 1 4 C H3' 1 4 C H6 2.988 2.888 3.088 2.924 2.917 2.930 . 0 0 "[ . 1 ]" 1
188 1 4 C H3' 1 4 C H5 4.769 4.669 4.869 4.636 4.632 4.638 0.037 9 0 "[ . 1 ]" 1
189 1 4 C H3' 1 5 C H5' 3.958 3.858 4.058 4.008 3.975 4.056 . 0 0 "[ . 1 ]" 1
190 1 4 C H3' 1 5 C H5'' 4.908 4.808 5.008 4.964 4.949 4.986 . 0 0 "[ . 1 ]" 1
191 1 4 C H3' 1 5 C H6 3.104 3.004 3.204 3.219 3.214 3.224 0.020 5 0 "[ . 1 ]" 1
192 1 4 C H3' 1 5 C H5 3.313 3.213 3.413 3.408 3.387 3.421 0.008 2 0 "[ . 1 ]" 1
193 1 4 C H4' 1 4 C H5' 2.534 2.434 2.634 2.466 2.465 2.470 . 0 0 "[ . 1 ]" 1
194 1 4 C H4' 1 4 C H5'' 2.370 2.270 2.470 2.394 2.388 2.397 . 0 0 "[ . 1 ]" 1
195 1 4 C H4' 1 4 C HO2' 3.778 3.678 3.878 3.749 3.744 3.753 . 0 0 "[ . 1 ]" 1
196 1 4 C H4' 1 4 C H6 4.053 3.953 4.153 4.023 4.018 4.025 . 0 0 "[ . 1 ]" 1
197 1 4 C H4' 1 5 C H5' 4.167 4.067 4.267 4.214 4.178 4.263 . 0 0 "[ . 1 ]" 1
198 1 4 C H5' 1 4 C H5'' 1.776 . 1.876 1.774 1.774 1.775 . 0 0 "[ . 1 ]" 1
199 1 4 C H5' 1 4 C H6 3.241 3.141 3.341 3.351 3.348 3.354 0.013 7 0 "[ . 1 ]" 1
200 1 4 C H5'' 1 4 C H6 4.055 3.955 4.155 3.950 3.941 3.958 0.014 9 0 "[ . 1 ]" 1
201 1 4 C HO2' 1 5 C H1' 4.151 4.051 4.251 4.257 4.256 4.259 0.008 9 0 "[ . 1 ]" 1
202 1 4 C HO2' 1 5 C H3' 4.845 4.745 4.945 4.832 4.822 4.852 . 0 0 "[ . 1 ]" 1
203 1 4 C HO2' 1 5 C H4' 3.522 3.422 3.622 3.607 3.582 3.624 0.002 2 0 "[ . 1 ]" 1
204 1 4 C HO2' 1 5 C H5' 1.994 . 2.094 1.934 1.907 1.974 . 0 0 "[ . 1 ]" 1
205 1 4 C HO2' 1 5 C H5'' 3.738 3.638 3.838 3.692 3.664 3.731 . 0 0 "[ . 1 ]" 1
206 1 4 C HO2' 1 5 C H6 3.221 3.121 3.321 3.281 3.276 3.285 . 0 0 "[ . 1 ]" 1
207 1 4 C H41 1 4 C H42 1.784 . 1.884 1.749 1.747 1.750 . 0 0 "[ . 1 ]" 1
208 1 4 C H42 1 4 C H6 4.651 4.551 4.751 4.628 4.627 4.628 . 0 0 "[ . 1 ]" 1
209 1 4 C H42 1 4 C H5 2.426 2.326 2.526 2.417 2.415 2.419 . 0 0 "[ . 1 ]" 1
210 1 4 C H42 1 5 C H42 3.221 3.121 3.321 3.133 3.125 3.139 . 0 0 "[ . 1 ]" 1
211 1 4 C H42 1 5 C H41 4.124 4.024 4.224 4.013 4.008 4.017 0.016 4 0 "[ . 1 ]" 1
212 1 4 C H42 1 5 C H5 4.475 4.375 4.575 4.400 4.391 4.416 . 0 0 "[ . 1 ]" 1
213 1 4 C H41 1 4 C H5 3.708 3.608 3.808 3.669 3.668 3.670 . 0 0 "[ . 1 ]" 1
214 1 4 C H41 1 5 C H42 3.066 2.966 3.166 2.961 2.954 2.968 0.012 2 0 "[ . 1 ]" 1
215 1 4 C H41 1 5 C H41 3.264 3.164 3.364 3.131 3.126 3.136 0.038 4 0 "[ . 1 ]" 1
216 1 4 C H41 1 5 C H5 4.393 4.293 4.493 4.320 4.311 4.336 . 0 0 "[ . 1 ]" 1
217 1 4 C H5 1 4 C H6 2.457 2.357 2.557 2.438 2.437 2.440 . 0 0 "[ . 1 ]" 1
218 1 4 C H6 1 5 C H6 4.951 4.851 5.051 5.053 5.044 5.058 0.007 9 0 "[ . 1 ]" 1
219 1 4 C H6 1 5 C H5 4.001 3.901 4.101 4.134 4.126 4.139 0.038 10 0 "[ . 1 ]" 1
220 1 4 C H5 1 5 C H42 4.046 3.946 4.146 4.063 4.057 4.070 . 0 0 "[ . 1 ]" 1
221 1 4 C H5 1 5 C H5 3.995 3.895 4.095 3.997 3.986 4.008 . 0 0 "[ . 1 ]" 1
222 1 13 G H1' 1 13 G H2' 2.805 2.705 2.905 2.793 2.790 2.795 . 0 0 "[ . 1 ]" 1
223 1 13 G H1' 1 13 G H3' 3.857 3.757 3.957 3.844 3.842 3.846 . 0 0 "[ . 1 ]" 1
224 1 13 G H1' 1 13 G H4' 3.398 3.298 3.498 3.394 3.384 3.407 . 0 0 "[ . 1 ]" 1
225 1 13 G H1' 1 13 G H5' 4.577 4.477 4.677 4.625 4.574 4.643 . 0 0 "[ . 1 ]" 1
226 1 13 G H1' 1 13 G HO2' 2.565 2.465 2.665 2.602 2.523 2.665 . 0 0 "[ . 1 ]" 1
227 1 13 G H1' 1 13 G H22 4.774 4.674 4.874 4.777 4.767 4.787 . 0 0 "[ . 1 ]" 1
228 1 13 G H1' 1 13 G H8 3.727 3.627 3.827 3.679 3.675 3.684 . 0 0 "[ . 1 ]" 1
229 1 13 G H1' 1 14 G H5' 4.677 4.577 4.777 4.715 4.683 4.733 . 0 0 "[ . 1 ]" 1
230 1 13 G H1' 1 14 G H8 4.319 4.219 4.419 4.456 4.446 4.464 0.045 10 0 "[ . 1 ]" 1
231 1 13 G H2' 1 13 G H3' 2.425 2.325 2.525 2.417 2.415 2.419 . 0 0 "[ . 1 ]" 1
232 1 13 G H2' 1 13 G H4' 3.813 3.713 3.913 3.794 3.792 3.801 . 0 0 "[ . 1 ]" 1
233 1 13 G H2' 1 13 G HO2' 2.947 2.847 3.047 2.856 2.852 2.861 . 0 0 "[ . 1 ]" 1
234 1 13 G H2' 1 13 G H22 4.701 4.601 4.801 4.715 4.704 4.725 . 0 0 "[ . 1 ]" 1
235 1 13 G H2' 1 13 G H8 4.149 4.049 4.249 4.086 4.076 4.093 . 0 0 "[ . 1 ]" 1
236 1 13 G H2' 1 14 G H1' 4.192 4.092 4.292 4.211 4.196 4.222 . 0 0 "[ . 1 ]" 1
237 1 13 G H2' 1 14 G H3' 4.263 4.163 4.363 4.318 4.293 4.337 . 0 0 "[ . 1 ]" 1
238 1 13 G H2' 1 14 G H4' 4.442 4.342 4.542 4.406 4.387 4.418 . 0 0 "[ . 1 ]" 1
239 1 13 G H2' 1 14 G H5' 2.891 2.791 2.991 2.838 2.790 2.867 0.001 4 0 "[ . 1 ]" 1
240 1 13 G H2' 1 14 G H5'' 4.268 4.168 4.368 4.258 4.232 4.274 . 0 0 "[ . 1 ]" 1
241 1 13 G H2' 1 14 G H8 1.673 . 1.773 1.820 1.816 1.823 0.050 7 0 "[ . 1 ]" 1
242 1 13 G H3' 1 13 G H4' 3.008 2.908 3.108 3.011 3.009 3.012 . 0 0 "[ . 1 ]" 1
243 1 13 G H3' 1 13 G H5' 3.687 3.587 3.787 3.719 3.682 3.734 . 0 0 "[ . 1 ]" 1
244 1 13 G H3' 1 13 G H5'' 3.086 2.986 3.186 2.998 2.969 3.091 0.017 10 0 "[ . 1 ]" 1
245 1 13 G H3' 1 13 G HO2' 3.597 3.497 3.697 3.532 3.505 3.568 . 0 0 "[ . 1 ]" 1
246 1 13 G H3' 1 13 G H8 3.196 3.096 3.296 3.082 3.075 3.089 0.021 7 0 "[ . 1 ]" 1
247 1 13 G H3' 1 14 G H5' 3.959 3.859 4.059 3.972 3.936 3.999 . 0 0 "[ . 1 ]" 1
248 1 13 G H3' 1 14 G H5'' 4.908 4.808 5.008 4.948 4.924 4.963 . 0 0 "[ . 1 ]" 1
249 1 13 G H3' 1 14 G H8 3.023 2.923 3.123 3.017 2.996 3.036 . 0 0 "[ . 1 ]" 1
250 1 13 G H4' 1 13 G H5' 2.534 2.434 2.634 2.467 2.447 2.523 . 0 0 "[ . 1 ]" 1
251 1 13 G H4' 1 13 G H5'' 2.370 2.270 2.470 2.389 2.340 2.408 . 0 0 "[ . 1 ]" 1
252 1 13 G H4' 1 13 G HO2' 2.044 . 2.144 2.048 2.023 2.092 . 0 0 "[ . 1 ]" 1
253 1 13 G H4' 1 13 G H8 4.409 4.309 4.509 4.307 4.296 4.314 0.013 7 0 "[ . 1 ]" 1
254 1 13 G H4' 1 14 G H5' 4.167 4.067 4.267 4.276 4.271 4.285 0.018 9 0 "[ . 1 ]" 1
255 1 13 G H5' 1 13 G H5'' 1.776 . 1.876 1.775 1.774 1.776 . 0 0 "[ . 1 ]" 1
256 1 13 G H5' 1 13 G HO2' 4.410 4.310 4.510 4.390 4.375 4.431 . 0 0 "[ . 1 ]" 1
257 1 13 G H5' 1 13 G H8 3.564 3.464 3.664 3.619 3.463 3.674 0.010 2 0 "[ . 1 ]" 1
258 1 13 G H5'' 1 13 G HO2' 4.310 4.210 4.410 4.278 4.245 4.318 . 0 0 "[ . 1 ]" 1
259 1 13 G H5'' 1 13 G H8 4.368 4.268 4.468 4.234 4.221 4.254 0.047 10 0 "[ . 1 ]" 1
260 1 13 G HO2' 1 14 G H5' 2.941 2.841 3.041 2.954 2.901 3.023 . 0 0 "[ . 1 ]" 1
261 1 13 G HO2' 1 14 G H5'' 4.602 4.502 4.702 4.593 4.526 4.673 . 0 0 "[ . 1 ]" 1
262 1 13 G HO2' 1 14 G H8 4.547 4.447 4.647 4.576 4.552 4.603 . 0 0 "[ . 1 ]" 1
263 1 13 G H21 1 13 G H22 1.784 . 1.884 1.755 1.754 1.756 . 0 0 "[ . 1 ]" 1
264 1 13 G H1 1 13 G H22 3.479 3.379 3.579 3.449 3.447 3.452 . 0 0 "[ . 1 ]" 1
265 1 13 G H22 1 14 G H1' 3.255 3.155 3.355 3.371 3.365 3.375 0.020 4 0 "[ . 1 ]" 1
266 1 13 G H22 1 14 G H8 4.875 4.775 4.975 5.008 5.003 5.012 0.037 4 0 "[ . 1 ]" 1
267 1 13 G H1 1 13 G H21 2.169 2.069 2.269 2.185 2.181 2.187 . 0 0 "[ . 1 ]" 1
268 1 13 G H21 1 14 G H1' 4.205 4.105 4.305 4.190 4.183 4.197 . 0 0 "[ . 1 ]" 1
269 1 13 G H21 1 14 G H22 4.772 4.672 4.872 4.853 4.838 4.865 . 0 0 "[ . 1 ]" 1
270 1 13 G H21 1 14 G H1 4.790 4.690 4.890 4.914 4.912 4.917 0.027 4 0 "[ . 1 ]" 1
271 1 5 C H1' 1 13 G H21 4.316 4.216 4.416 4.441 4.435 4.447 0.031 3 0 "[ . 1 ]" 1
272 1 5 C H2' 1 13 G H21 4.666 4.566 4.766 4.789 4.784 4.801 0.035 4 0 "[ . 1 ]" 1
273 1 5 C H41 1 13 G H21 4.566 4.466 4.666 4.519 4.483 4.559 . 0 0 "[ . 1 ]" 1
274 1 13 G H8 1 14 G H8 4.797 4.697 4.897 4.785 4.741 4.817 . 0 0 "[ . 1 ]" 1
275 1 13 G H1 1 14 G H1 4.082 3.982 4.182 4.059 4.031 4.082 . 0 0 "[ . 1 ]" 1
276 1 4 C H41 1 13 G H1 4.747 4.647 4.847 4.610 4.606 4.615 0.041 4 0 "[ . 1 ]" 1
277 1 5 C H42 1 13 G H1 4.023 3.923 4.123 3.997 3.968 4.031 . 0 0 "[ . 1 ]" 1
278 1 5 C H41 1 13 G H1 2.478 2.378 2.578 2.428 2.397 2.465 . 0 0 "[ . 1 ]" 1
279 1 14 G H1' 1 14 G H2' 2.805 2.705 2.905 2.793 2.790 2.795 . 0 0 "[ . 1 ]" 1
280 1 14 G H1' 1 14 G H3' 3.857 3.757 3.957 3.846 3.842 3.849 . 0 0 "[ . 1 ]" 1
281 1 14 G H1' 1 14 G H4' 3.397 3.297 3.497 3.380 3.372 3.387 . 0 0 "[ . 1 ]" 1
282 1 14 G H1' 1 14 G H5' 4.577 4.477 4.677 4.568 4.557 4.576 . 0 0 "[ . 1 ]" 1
283 1 14 G H1' 1 14 G HO2' 2.565 2.465 2.665 2.449 2.444 2.455 0.021 6 0 "[ . 1 ]" 1
284 1 14 G H1' 1 14 G H22 4.775 4.675 4.875 4.744 4.735 4.752 . 0 0 "[ . 1 ]" 1
285 1 14 G H1' 1 14 G H8 3.727 3.627 3.827 3.684 3.679 3.688 . 0 0 "[ . 1 ]" 1
286 1 14 G H2' 1 14 G H3' 2.425 2.325 2.525 2.411 2.409 2.412 . 0 0 "[ . 1 ]" 1
287 1 14 G H2' 1 14 G H4' 3.813 3.713 3.913 3.794 3.787 3.799 . 0 0 "[ . 1 ]" 1
288 1 14 G H2' 1 14 G HO2' 2.947 2.847 3.047 2.860 2.859 2.862 . 0 0 "[ . 1 ]" 1
289 1 14 G H2' 1 14 G H22 4.701 4.601 4.801 4.722 4.708 4.743 . 0 0 "[ . 1 ]" 1
290 1 14 G H2' 1 14 G H8 4.150 4.050 4.250 4.071 4.059 4.079 . 0 0 "[ . 1 ]" 1
291 1 14 G H3' 1 14 G H4' 3.007 2.907 3.107 3.011 3.010 3.012 . 0 0 "[ . 1 ]" 1
292 1 14 G H3' 1 14 G H5' 3.687 3.587 3.787 3.693 3.684 3.699 . 0 0 "[ . 1 ]" 1
293 1 14 G H3' 1 14 G H5'' 3.085 2.985 3.185 3.100 3.085 3.119 . 0 0 "[ . 1 ]" 1
294 1 14 G H3' 1 14 G HO2' 3.596 3.496 3.696 3.594 3.590 3.597 . 0 0 "[ . 1 ]" 1
295 1 14 G H3' 1 14 G H8 3.196 3.096 3.296 3.094 3.087 3.100 0.009 4 0 "[ . 1 ]" 1
296 1 14 G H4' 1 14 G H5' 2.534 2.434 2.634 2.519 2.511 2.531 . 0 0 "[ . 1 ]" 1
297 1 14 G H4' 1 14 G H5'' 2.370 2.270 2.470 2.340 2.331 2.346 . 0 0 "[ . 1 ]" 1
298 1 14 G H4' 1 14 G HO2' 2.043 . 2.143 2.114 2.103 2.120 . 0 0 "[ . 1 ]" 1
299 1 14 G H4' 1 14 G H8 4.410 4.310 4.510 4.317 4.310 4.324 . 0 0 "[ . 1 ]" 1
300 1 14 G H5' 1 14 G H5'' 1.776 . 1.876 1.775 1.774 1.776 . 0 0 "[ . 1 ]" 1
301 1 14 G H5' 1 14 G HO2' 4.409 4.309 4.509 4.439 4.429 4.448 . 0 0 "[ . 1 ]" 1
302 1 14 G H5' 1 14 G H8 3.564 3.464 3.664 3.516 3.495 3.545 . 0 0 "[ . 1 ]" 1
303 1 14 G H5'' 1 14 G HO2' 4.309 4.209 4.409 4.347 4.339 4.355 . 0 0 "[ . 1 ]" 1
304 1 14 G H5'' 1 14 G H8 4.368 4.268 4.468 4.304 4.285 4.323 . 0 0 "[ . 1 ]" 1
305 1 14 G H21 1 14 G H22 1.784 . 1.884 1.755 1.753 1.756 . 0 0 "[ . 1 ]" 1
306 1 14 G H1 1 14 G H22 3.479 3.379 3.579 3.463 3.461 3.465 . 0 0 "[ . 1 ]" 1
307 1 5 C H1' 1 14 G H22 4.493 4.393 4.593 4.321 4.315 4.326 0.078 9 0 "[ . 1 ]" 1
308 1 14 G H1 1 14 G H21 2.168 2.068 2.268 2.193 2.192 2.194 . 0 0 "[ . 1 ]" 1
309 1 4 C H1' 1 14 G H21 4.317 4.217 4.417 4.259 4.252 4.267 . 0 0 "[ . 1 ]" 1
310 1 4 C H2' 1 14 G H21 4.667 4.567 4.767 4.562 4.559 4.564 0.008 4 0 "[ . 1 ]" 1
311 1 4 C H41 1 14 G H21 4.566 4.466 4.666 4.686 4.683 4.690 0.024 4 0 "[ . 1 ]" 1
312 1 5 C H1' 1 14 G H21 4.373 4.273 4.473 4.291 4.285 4.296 . 0 0 "[ . 1 ]" 1
313 1 5 C H6 1 14 G H21 4.961 4.861 5.061 4.930 4.925 4.934 . 0 0 "[ . 1 ]" 1
314 1 4 C H42 1 14 G H1 4.023 3.923 4.123 4.112 4.108 4.117 . 0 0 "[ . 1 ]" 1
315 1 4 C H41 1 14 G H1 2.478 2.378 2.578 2.588 2.585 2.591 0.013 2 0 "[ . 1 ]" 1
316 1 5 C H42 1 14 G H1 4.085 3.985 4.185 4.189 4.182 4.194 0.009 5 0 "[ . 1 ]" 1
317 1 5 C H41 1 14 G H1 3.888 3.788 3.988 3.912 3.907 3.917 . 0 0 "[ . 1 ]" 1
318 1 5 C H5 1 14 G H1 4.398 4.298 4.498 4.517 4.515 4.522 0.024 9 0 "[ . 1 ]" 1
319 1 14 G H1' 1 15 A H5' 4.677 4.577 4.777 4.631 4.622 4.643 . 0 0 "[ . 1 ]" 1
320 1 14 G H1' 1 15 A H8 4.319 4.219 4.419 4.521 4.518 4.524 0.105 5 0 "[ . 1 ]" 1
321 1 14 G H2' 1 15 A H1' 4.192 4.092 4.292 4.074 4.066 4.082 0.026 6 0 "[ . 1 ]" 1
322 1 14 G H2' 1 15 A H3' 4.263 4.163 4.363 4.296 4.290 4.301 . 0 0 "[ . 1 ]" 1
323 1 14 G H2' 1 15 A H4' 4.442 4.342 4.542 4.385 4.365 4.406 . 0 0 "[ . 1 ]" 1
324 1 14 G H2' 1 15 A H5' 2.891 2.791 2.991 2.999 2.996 3.003 0.012 4 0 "[ . 1 ]" 1
325 1 14 G H2' 1 15 A H5'' 4.268 4.168 4.368 4.299 4.284 4.313 . 0 0 "[ . 1 ]" 1
326 1 14 G H2' 1 15 A H8 1.673 . 1.773 1.819 1.814 1.823 0.050 6 0 "[ . 1 ]" 1
327 1 14 G H3' 1 15 A H5' 3.959 3.859 4.059 4.064 4.060 4.070 0.011 9 0 "[ . 1 ]" 1
328 1 14 G H3' 1 15 A H5'' 4.908 4.808 5.008 5.053 5.049 5.056 0.048 9 0 "[ . 1 ]" 1
329 1 14 G H3' 1 15 A H8 3.023 2.923 3.123 3.145 3.135 3.158 0.035 7 0 "[ . 1 ]" 1
330 1 14 G H4' 1 15 A H5' 4.167 4.067 4.267 4.084 4.069 4.095 . 0 0 "[ . 1 ]" 1
331 1 14 G HO2' 1 15 A H5' 2.941 2.841 3.041 2.819 2.812 2.826 0.029 7 0 "[ . 1 ]" 1
332 1 14 G HO2' 1 15 A H5'' 4.602 4.502 4.702 4.547 4.543 4.552 . 0 0 "[ . 1 ]" 1
333 1 14 G HO2' 1 15 A H8 4.547 4.447 4.647 4.535 4.526 4.544 . 0 0 "[ . 1 ]" 1
334 1 15 A H1' 1 15 A H2' 2.805 2.705 2.905 2.792 2.791 2.794 . 0 0 "[ . 1 ]" 1
335 1 15 A H1' 1 15 A H3' 3.857 3.757 3.957 3.852 3.849 3.853 . 0 0 "[ . 1 ]" 1
336 1 15 A H1' 1 15 A H4' 3.397 3.297 3.497 3.415 3.412 3.417 . 0 0 "[ . 1 ]" 1
337 1 15 A H1' 1 15 A H5' 4.577 4.477 4.677 4.616 4.608 4.624 . 0 0 "[ . 1 ]" 1
338 1 15 A H1' 1 15 A HO2' 2.564 2.464 2.664 2.558 2.470 2.605 . 0 0 "[ . 1 ]" 1
339 1 15 A H1' 1 15 A H8 3.700 3.600 3.800 3.716 3.712 3.720 . 0 0 "[ . 1 ]" 1
340 1 15 A H1' 1 15 A H2 4.791 4.691 4.891 4.743 4.737 4.748 . 0 0 "[ . 1 ]" 1
341 1 15 A H1' 1 16 G H5' 4.677 4.577 4.777 4.619 4.605 4.632 . 0 0 "[ . 1 ]" 1
342 1 15 A H1' 1 16 G H8 4.320 4.220 4.420 4.446 4.440 4.451 0.031 7 0 "[ . 1 ]" 1
343 1 15 A H2' 1 15 A H3' 2.425 2.325 2.525 2.414 2.413 2.415 . 0 0 "[ . 1 ]" 1
344 1 15 A H2' 1 15 A H4' 3.813 3.713 3.913 3.806 3.803 3.807 . 0 0 "[ . 1 ]" 1
345 1 15 A H2' 1 15 A HO2' 2.946 2.846 3.046 2.860 2.858 2.862 . 0 0 "[ . 1 ]" 1
346 1 15 A H2' 1 15 A H8 4.125 4.025 4.225 4.051 4.040 4.060 . 0 0 "[ . 1 ]" 1
347 1 15 A H2 1 15 A H2' 4.663 4.563 4.763 4.769 4.762 4.776 0.013 4 0 "[ . 1 ]" 1
348 1 15 A H2' 1 16 G H1' 4.192 4.092 4.292 4.275 4.267 4.282 . 0 0 "[ . 1 ]" 1
349 1 15 A H2' 1 16 G H3' 4.263 4.163 4.363 4.258 4.244 4.272 . 0 0 "[ . 1 ]" 1
350 1 15 A H2' 1 16 G H4' 4.442 4.342 4.542 4.381 4.372 4.393 . 0 0 "[ . 1 ]" 1
351 1 15 A H2' 1 16 G H5' 2.891 2.791 2.991 2.799 2.785 2.823 0.006 2 0 "[ . 1 ]" 1
352 1 15 A H2' 1 16 G H5'' 4.268 4.168 4.368 4.187 4.179 4.199 . 0 0 "[ . 1 ]" 1
353 1 15 A H2' 1 16 G H8 1.674 . 1.774 1.847 1.840 1.854 0.080 5 0 "[ . 1 ]" 1
354 1 15 A H3' 1 15 A H4' 3.007 2.907 3.107 3.009 3.008 3.010 . 0 0 "[ . 1 ]" 1
355 1 15 A H3' 1 15 A H5' 3.686 3.586 3.786 3.716 3.713 3.719 . 0 0 "[ . 1 ]" 1
356 1 15 A H3' 1 15 A H5'' 3.085 2.985 3.185 3.008 2.997 3.021 . 0 0 "[ . 1 ]" 1
357 1 15 A H3' 1 15 A HO2' 3.596 3.496 3.696 3.555 3.533 3.596 . 0 0 "[ . 1 ]" 1
358 1 15 A H3' 1 15 A H8 3.163 3.063 3.263 3.038 3.028 3.046 0.035 2 0 "[ . 1 ]" 1
359 1 15 A H3' 1 16 G H5' 3.959 3.859 4.059 4.005 3.984 4.024 . 0 0 "[ . 1 ]" 1
360 1 15 A H3' 1 16 G H5'' 4.908 4.808 5.008 4.942 4.930 4.953 . 0 0 "[ . 1 ]" 1
361 1 15 A H3' 1 16 G H8 3.024 2.924 3.124 3.132 3.128 3.135 0.011 9 0 "[ . 1 ]" 1
362 1 15 A H4' 1 15 A H5' 2.534 2.434 2.634 2.475 2.469 2.483 . 0 0 "[ . 1 ]" 1
363 1 15 A H4' 1 15 A H5'' 2.370 2.270 2.470 2.379 2.373 2.384 . 0 0 "[ . 1 ]" 1
364 1 15 A H4' 1 15 A HO2' 2.043 . 2.143 2.091 2.072 2.133 . 0 0 "[ . 1 ]" 1
365 1 15 A H4' 1 15 A H8 4.363 4.263 4.463 4.315 4.311 4.318 . 0 0 "[ . 1 ]" 1
366 1 15 A H4' 1 16 G H5' 4.168 4.068 4.268 4.278 4.274 4.284 0.016 5 0 "[ . 1 ]" 1
367 1 15 A H5' 1 15 A H5'' 1.776 . 1.876 1.773 1.772 1.774 . 0 0 "[ . 1 ]" 1
368 1 15 A H5' 1 15 A HO2' 4.410 4.310 4.510 4.415 4.406 4.429 . 0 0 "[ . 1 ]" 1
369 1 15 A H5' 1 15 A H8 3.522 3.422 3.622 3.601 3.587 3.617 . 0 0 "[ . 1 ]" 1
370 1 15 A H5'' 1 15 A HO2' 4.309 4.209 4.409 4.325 4.297 4.382 . 0 0 "[ . 1 ]" 1
371 1 15 A H5'' 1 15 A H8 4.325 4.225 4.425 4.204 4.197 4.210 0.028 9 0 "[ . 1 ]" 1
372 1 15 A HO2' 1 16 G H5' 2.942 2.842 3.042 2.909 2.879 2.972 . 0 0 "[ . 1 ]" 1
373 1 15 A HO2' 1 16 G H5'' 4.602 4.502 4.702 4.541 4.503 4.621 . 0 0 "[ . 1 ]" 1
374 1 15 A HO2' 1 16 G H8 4.547 4.447 4.647 4.638 4.624 4.645 . 0 0 "[ . 1 ]" 1
375 1 15 A H61 1 15 A H62 1.784 . 1.884 1.756 1.755 1.758 . 0 0 "[ . 1 ]" 1
376 1 15 A H2 1 15 A H61 4.506 4.406 4.606 4.476 4.473 4.479 . 0 0 "[ . 1 ]" 1
377 1 15 A H61 1 16 G H1 4.505 4.405 4.605 4.367 4.357 4.376 0.048 4 0 "[ . 1 ]" 1
378 1 2 C H42 1 15 A H61 4.676 4.576 4.776 4.510 4.506 4.516 0.070 2 0 "[ . 1 ]" 1
379 1 4 C H41 1 15 A H61 3.827 3.727 3.927 3.827 3.780 3.866 . 0 0 "[ . 1 ]" 1
380 1 3 U H3 1 15 A H61 2.396 2.296 2.496 2.506 2.502 2.510 0.014 4 0 "[ . 1 ]" 1
381 1 3 U H5 1 15 A H61 4.489 4.389 4.589 4.507 4.472 4.532 . 0 0 "[ . 1 ]" 1
382 1 15 A H62 1 15 A H8 4.854 4.754 4.954 4.845 4.836 4.851 . 0 0 "[ . 1 ]" 1
383 1 4 C H41 1 15 A H62 4.579 4.479 4.679 4.357 4.340 4.370 0.139 4 0 "[ . 1 ]" 1
384 1 3 U H3 1 15 A H62 3.959 3.859 4.059 4.084 4.080 4.088 0.029 4 0 "[ . 1 ]" 1
385 1 15 A H8 1 16 G H8 4.786 4.686 4.886 4.764 4.721 4.797 . 0 0 "[ . 1 ]" 1
386 1 15 A H2 1 16 G H1' 3.831 3.731 3.931 3.917 3.892 3.936 0.005 2 0 "[ . 1 ]" 1
387 1 15 A H2 1 16 G H8 4.645 4.545 4.745 4.792 4.789 4.796 0.051 4 0 "[ . 1 ]" 1
388 1 3 U H3 1 15 A H2 2.931 2.831 3.031 3.000 2.996 3.006 . 0 0 "[ . 1 ]" 1
389 1 16 G H1' 1 16 G H2' 2.805 2.705 2.905 2.805 2.802 2.808 . 0 0 "[ . 1 ]" 1
390 1 16 G H1' 1 16 G H3' 3.857 3.757 3.957 3.851 3.848 3.853 . 0 0 "[ . 1 ]" 1
391 1 16 G H1' 1 16 G H4' 3.398 3.298 3.498 3.352 3.340 3.359 . 0 0 "[ . 1 ]" 1
392 1 16 G H1' 1 16 G H5' 4.577 4.477 4.677 4.568 4.562 4.573 . 0 0 "[ . 1 ]" 1
393 1 16 G H1' 1 16 G HO2' 2.565 2.465 2.665 2.524 2.465 2.577 0.000 6 0 "[ . 1 ]" 1
394 1 16 G H1' 1 16 G H22 4.774 4.674 4.874 4.722 4.719 4.725 . 0 0 "[ . 1 ]" 1
395 1 16 G H1' 1 16 G H8 3.727 3.627 3.827 3.689 3.688 3.690 . 0 0 "[ . 1 ]" 1
396 1 16 G H1' 1 17 G H5' 4.677 4.577 4.777 4.619 4.612 4.623 . 0 0 "[ . 1 ]" 1
397 1 16 G H1' 1 17 G H8 4.319 4.219 4.419 4.451 4.448 4.453 0.034 2 0 "[ . 1 ]" 1
398 1 16 G H2' 1 16 G H3' 2.425 2.325 2.525 2.412 2.411 2.414 . 0 0 "[ . 1 ]" 1
399 1 16 G H2' 1 16 G H4' 3.813 3.713 3.913 3.792 3.786 3.796 . 0 0 "[ . 1 ]" 1
400 1 16 G H2' 1 16 G HO2' 2.947 2.847 3.047 2.859 2.858 2.861 . 0 0 "[ . 1 ]" 1
401 1 16 G H2' 1 16 G H22 4.701 4.601 4.801 4.770 4.764 4.773 . 0 0 "[ . 1 ]" 1
402 1 16 G H2' 1 16 G H8 4.149 4.049 4.249 4.041 4.040 4.043 0.009 5 0 "[ . 1 ]" 1
403 1 16 G H2' 1 17 G H1' 4.192 4.092 4.292 4.207 4.200 4.216 . 0 0 "[ . 1 ]" 1
404 1 16 G H2' 1 17 G H3' 4.263 4.163 4.363 4.238 4.229 4.244 . 0 0 "[ . 1 ]" 1
405 1 16 G H2' 1 17 G H4' 4.442 4.342 4.542 4.338 4.336 4.341 0.006 2 0 "[ . 1 ]" 1
406 1 16 G H2' 1 17 G H5' 2.891 2.791 2.991 2.845 2.835 2.851 . 0 0 "[ . 1 ]" 1
407 1 16 G H2' 1 17 G H5'' 4.268 4.168 4.368 4.196 4.184 4.201 . 0 0 "[ . 1 ]" 1
408 1 16 G H2' 1 17 G H8 1.673 . 1.773 1.841 1.838 1.845 0.072 4 0 "[ . 1 ]" 1
409 1 16 G H3' 1 16 G H4' 3.008 2.908 3.108 3.013 3.011 3.015 . 0 0 "[ . 1 ]" 1
410 1 16 G H3' 1 16 G H5' 3.687 3.587 3.787 3.698 3.694 3.701 . 0 0 "[ . 1 ]" 1
411 1 16 G H3' 1 16 G H5'' 3.086 2.986 3.186 3.095 3.079 3.111 . 0 0 "[ . 1 ]" 1
412 1 16 G H3' 1 16 G HO2' 3.597 3.497 3.697 3.559 3.535 3.587 . 0 0 "[ . 1 ]" 1
413 1 16 G H3' 1 16 G H8 3.196 3.096 3.296 3.084 3.080 3.086 0.016 9 0 "[ . 1 ]" 1
414 1 16 G H3' 1 17 G H5' 3.959 3.859 4.059 4.034 4.017 4.050 . 0 0 "[ . 1 ]" 1
415 1 16 G H3' 1 17 G H5'' 4.908 4.808 5.008 4.972 4.966 4.975 . 0 0 "[ . 1 ]" 1
416 1 16 G H3' 1 17 G H8 3.023 2.923 3.123 3.138 3.135 3.142 0.019 5 0 "[ . 1 ]" 1
417 1 16 G H4' 1 16 G H5' 2.534 2.434 2.634 2.513 2.507 2.520 . 0 0 "[ . 1 ]" 1
418 1 16 G H4' 1 16 G H5'' 2.370 2.270 2.470 2.346 2.342 2.351 . 0 0 "[ . 1 ]" 1
419 1 16 G H4' 1 16 G HO2' 2.044 . 2.144 2.076 2.044 2.110 . 0 0 "[ . 1 ]" 1
420 1 16 G H4' 1 16 G H8 4.409 4.309 4.509 4.337 4.328 4.347 . 0 0 "[ . 1 ]" 1
421 1 16 G H4' 1 17 G H5' 4.167 4.067 4.267 4.256 4.244 4.273 0.006 9 0 "[ . 1 ]" 1
422 1 16 G H5' 1 16 G H5'' 1.776 . 1.876 1.774 1.773 1.776 . 0 0 "[ . 1 ]" 1
423 1 16 G H5' 1 16 G HO2' 4.410 4.310 4.510 4.436 4.427 4.446 . 0 0 "[ . 1 ]" 1
424 1 16 G H5' 1 16 G H8 3.564 3.464 3.664 3.588 3.579 3.599 . 0 0 "[ . 1 ]" 1
425 1 16 G H5'' 1 16 G HO2' 4.310 4.210 4.410 4.297 4.255 4.342 . 0 0 "[ . 1 ]" 1
426 1 16 G H5'' 1 16 G H8 4.368 4.268 4.468 4.348 4.325 4.377 . 0 0 "[ . 1 ]" 1
427 1 16 G HO2' 1 17 G H5' 2.941 2.841 3.041 2.885 2.849 2.932 . 0 0 "[ . 1 ]" 1
428 1 16 G HO2' 1 17 G H5'' 4.602 4.502 4.702 4.547 4.503 4.599 . 0 0 "[ . 1 ]" 1
429 1 16 G HO2' 1 17 G H8 4.547 4.447 4.647 4.640 4.631 4.647 0.000 11 0 "[ . 1 ]" 1
430 1 16 G H21 1 16 G H22 1.784 . 1.884 1.757 1.756 1.758 . 0 0 "[ . 1 ]" 1
431 1 16 G H1 1 16 G H22 3.479 3.379 3.579 3.452 3.449 3.454 . 0 0 "[ . 1 ]" 1
432 1 16 G H22 1 17 G H1' 3.255 3.155 3.355 3.237 3.222 3.255 . 0 0 "[ . 1 ]" 1
433 1 16 G H22 1 17 G H8 4.875 4.775 4.975 4.997 4.993 5.001 0.026 5 0 "[ . 1 ]" 1
434 1 3 U H1' 1 16 G H22 4.494 4.394 4.594 4.329 4.318 4.345 0.076 9 0 "[ . 1 ]" 1
435 1 16 G H1 1 16 G H21 2.169 2.069 2.269 2.192 2.186 2.198 . 0 0 "[ . 1 ]" 1
436 1 16 G H21 1 17 G H1' 4.205 4.105 4.305 4.079 4.075 4.081 0.030 9 0 "[ . 1 ]" 1
437 1 16 G H21 1 17 G H22 4.772 4.672 4.872 4.664 4.659 4.670 0.013 7 0 "[ . 1 ]" 1
438 1 16 G H21 1 17 G H1 4.790 4.690 4.890 4.889 4.879 4.896 0.006 5 0 "[ . 1 ]" 1
439 1 2 C H1' 1 16 G H21 4.316 4.216 4.416 4.435 4.426 4.442 0.026 9 0 "[ . 1 ]" 1
440 1 2 C H2' 1 16 G H21 4.666 4.566 4.766 4.739 4.722 4.749 . 0 0 "[ . 1 ]" 1
441 1 2 C H41 1 16 G H21 4.566 4.466 4.666 4.640 4.627 4.653 . 0 0 "[ . 1 ]" 1
442 1 16 G H8 1 17 G H8 4.797 4.697 4.897 4.740 4.728 4.751 . 0 0 "[ . 1 ]" 1
443 1 16 G H1 1 17 G H1 4.082 3.982 4.182 4.000 3.994 4.005 . 0 0 "[ . 1 ]" 1
444 1 1 C H41 1 16 G H1 4.747 4.647 4.847 4.779 4.770 4.792 . 0 0 "[ . 1 ]" 1
445 1 2 C H42 1 16 G H1 4.023 3.923 4.123 4.086 4.071 4.102 . 0 0 "[ . 1 ]" 1
446 1 2 C H41 1 16 G H1 2.478 2.378 2.578 2.536 2.518 2.556 . 0 0 "[ . 1 ]" 1
447 1 17 G H1' 1 17 G H2' 2.805 2.705 2.905 2.820 2.819 2.822 . 0 0 "[ . 1 ]" 1
448 1 17 G H1' 1 17 G H3' 3.857 3.757 3.957 3.860 3.858 3.861 . 0 0 "[ . 1 ]" 1
449 1 17 G H1' 1 17 G H4' 3.397 3.297 3.497 3.313 3.308 3.319 . 0 0 "[ . 1 ]" 1
450 1 17 G H1' 1 17 G H5' 4.577 4.477 4.677 4.565 4.560 4.568 . 0 0 "[ . 1 ]" 1
451 1 17 G H1' 1 17 G HO2' 2.565 2.465 2.665 2.513 2.463 2.603 0.002 3 0 "[ . 1 ]" 1
452 1 17 G H1' 1 17 G H22 4.775 4.675 4.875 4.718 4.712 4.724 . 0 0 "[ . 1 ]" 1
453 1 17 G H1' 1 17 G H8 3.727 3.627 3.827 3.697 3.696 3.698 . 0 0 "[ . 1 ]" 1
454 1 17 G H2' 1 17 G H3' 2.425 2.325 2.525 2.409 2.408 2.410 . 0 0 "[ . 1 ]" 1
455 1 17 G H2' 1 17 G H4' 3.813 3.713 3.913 3.801 3.799 3.802 . 0 0 "[ . 1 ]" 1
456 1 17 G H2' 1 17 G HO2' 2.947 2.847 3.047 2.860 2.855 2.863 . 0 0 "[ . 1 ]" 1
457 1 17 G H2' 1 17 G H22 4.701 4.601 4.801 4.820 4.816 4.824 0.023 9 0 "[ . 1 ]" 1
458 1 17 G H2' 1 17 G H8 4.150 4.050 4.250 4.016 4.015 4.017 0.035 9 0 "[ . 1 ]" 1
459 1 17 G H3' 1 17 G H4' 3.007 2.907 3.107 3.011 3.011 3.013 . 0 0 "[ . 1 ]" 1
460 1 17 G H3' 1 17 G H5' 3.687 3.587 3.787 3.703 3.700 3.705 . 0 0 "[ . 1 ]" 1
461 1 17 G H3' 1 17 G H5'' 3.085 2.985 3.185 3.057 3.052 3.065 . 0 0 "[ . 1 ]" 1
462 1 17 G H3' 1 17 G HO2' 3.596 3.496 3.696 3.552 3.511 3.575 . 0 0 "[ . 1 ]" 1
463 1 17 G H3' 1 17 G H8 3.196 3.096 3.296 3.120 3.106 3.129 . 0 0 "[ . 1 ]" 1
464 1 17 G H4' 1 17 G H5' 2.534 2.434 2.634 2.495 2.493 2.499 . 0 0 "[ . 1 ]" 1
465 1 17 G H4' 1 17 G H5'' 2.370 2.270 2.470 2.362 2.358 2.365 . 0 0 "[ . 1 ]" 1
466 1 17 G H4' 1 17 G HO2' 2.043 . 2.143 2.098 2.072 2.117 . 0 0 "[ . 1 ]" 1
467 1 17 G H4' 1 17 G H8 4.410 4.310 4.510 4.366 4.359 4.371 . 0 0 "[ . 1 ]" 1
468 1 17 G H5' 1 17 G H5'' 1.776 . 1.876 1.774 1.773 1.775 . 0 0 "[ . 1 ]" 1
469 1 17 G H5' 1 17 G HO2' 4.409 4.309 4.509 4.456 4.448 4.463 . 0 0 "[ . 1 ]" 1
470 1 17 G H5' 1 17 G H8 3.564 3.464 3.664 3.674 3.669 3.676 0.012 1 0 "[ . 1 ]" 1
471 1 17 G H5'' 1 17 G HO2' 4.309 4.209 4.409 4.312 4.265 4.342 . 0 0 "[ . 1 ]" 1
472 1 17 G H5'' 1 17 G H8 4.368 4.268 4.468 4.389 4.370 4.406 . 0 0 "[ . 1 ]" 1
473 1 17 G H21 1 17 G H22 1.784 . 1.884 1.753 1.750 1.754 . 0 0 "[ . 1 ]" 1
474 1 17 G H1 1 17 G H22 3.479 3.379 3.579 3.464 3.461 3.466 . 0 0 "[ . 1 ]" 1
475 1 2 C H1' 1 17 G H22 4.493 4.393 4.593 4.358 4.353 4.361 0.040 5 0 "[ . 1 ]" 1
476 1 17 G H1 1 17 G H21 2.168 2.068 2.268 2.204 2.203 2.205 . 0 0 "[ . 1 ]" 1
477 1 1 C H1' 1 17 G H21 4.317 4.217 4.417 4.419 4.417 4.422 0.005 3 0 "[ . 1 ]" 1
478 1 1 C H2' 1 17 G H21 4.667 4.567 4.767 4.623 4.614 4.630 . 0 0 "[ . 1 ]" 1
479 1 1 C H41 1 17 G H21 4.566 4.466 4.666 4.663 4.654 4.669 0.003 9 0 "[ . 1 ]" 1
480 1 2 C H1' 1 17 G H21 4.373 4.273 4.473 4.285 4.279 4.292 . 0 0 "[ . 1 ]" 1
481 1 2 C H6 1 17 G H21 4.961 4.861 5.061 4.982 4.973 4.987 . 0 0 "[ . 1 ]" 1
482 1 1 C H42 1 17 G H1 4.023 3.923 4.123 4.101 4.093 4.106 . 0 0 "[ . 1 ]" 1
483 1 1 C H41 1 17 G H1 2.478 2.378 2.578 2.555 2.547 2.562 . 0 0 "[ . 1 ]" 1
484 1 2 C H42 1 17 G H1 4.085 3.985 4.185 4.076 4.068 4.083 . 0 0 "[ . 1 ]" 1
485 1 2 C H41 1 17 G H1 3.888 3.788 3.988 3.787 3.785 3.790 0.003 2 0 "[ . 1 ]" 1
486 1 2 C H5 1 17 G H1 4.398 4.298 4.498 4.520 4.516 4.522 0.024 9 0 "[ . 1 ]" 1
487 1 5 C H1' 1 6 C H6 6.190 4.990 7.390 5.905 5.632 6.320 . 0 0 "[ . 1 ]" 1
488 1 5 C H5 1 6 C H6 6.630 5.330 7.930 6.481 6.062 6.857 . 0 0 "[ . 1 ]" 1
489 1 6 C H3' 1 6 C H6 2.330 . 2.830 2.509 2.349 2.697 . 0 0 "[ . 1 ]" 1
490 1 6 C H5 1 6 C H6 2.440 . 2.940 2.440 2.439 2.441 . 0 0 "[ . 1 ]" 1
491 1 6 C H2' 1 6 C H6 3.550 2.850 4.250 3.697 3.512 3.837 . 0 0 "[ . 1 ]" 1
492 1 6 C H2' 1 6 C H5 5.120 4.120 6.120 5.226 5.083 5.327 . 0 0 "[ . 1 ]" 1
493 1 6 C H1' 1 6 C H6 3.650 2.950 4.350 3.613 3.575 3.653 . 0 0 "[ . 1 ]" 1
494 1 6 C H1' 1 6 C H2' 2.440 . 2.940 2.783 2.774 2.801 . 0 0 "[ . 1 ]" 1
495 1 5 C H5 1 6 C H5 6.430 5.130 7.730 5.899 5.478 6.850 . 0 0 "[ . 1 ]" 1
496 1 5 C H2' 1 6 C H6 3.400 2.700 4.100 3.128 2.831 3.541 . 0 0 "[ . 1 ]" 1
497 1 5 C H3' 1 6 C H6 3.610 2.910 4.310 3.527 3.134 3.859 . 0 0 "[ . 1 ]" 1
498 1 6 C H6 1 7 U H5 3.450 2.750 4.150 3.885 3.377 4.157 0.007 11 0 "[ . 1 ]" 1
499 1 5 C H2' 1 6 C H5 5.180 4.180 6.180 4.681 4.174 5.370 0.006 9 0 "[ . 1 ]" 1
500 1 5 C H4' 1 6 C H6 6.100 4.900 7.300 5.965 5.786 6.159 . 0 0 "[ . 1 ]" 1
501 1 6 C H4' 1 6 C H6 3.860 3.060 4.660 3.860 3.824 3.939 . 0 0 "[ . 1 ]" 1
502 1 6 C H1' 1 6 C H4' 3.510 2.810 4.210 3.500 3.420 3.529 . 0 0 "[ . 1 ]" 1
503 1 7 U H5 1 7 U H6 2.440 . 2.940 2.407 2.406 2.408 . 0 0 "[ . 1 ]" 1
504 1 7 U H1' 1 7 U H2' 2.440 . 2.940 2.778 2.773 2.784 . 0 0 "[ . 1 ]" 1
505 1 7 U H2' 1 7 U H6 4.030 3.230 4.830 3.774 3.618 3.942 . 0 0 "[ . 1 ]" 1
506 1 7 U H1' 1 7 U H6 3.500 2.800 4.200 3.595 3.537 3.639 . 0 0 "[ . 1 ]" 1
507 1 7 U H3' 1 7 U H6 2.970 2.370 3.570 2.591 2.367 2.862 0.003 3 0 "[ . 1 ]" 1
508 1 7 U H4' 1 7 U H6 3.890 3.090 4.690 3.845 3.816 3.872 . 0 0 "[ . 1 ]" 1
509 1 7 U H3' 1 7 U H5 4.610 3.710 5.510 4.412 4.272 4.581 . 0 0 "[ . 1 ]" 1
510 1 6 C H1' 1 7 U H6 5.110 4.110 6.110 5.084 4.997 5.157 . 0 0 "[ . 1 ]" 1
511 1 6 C H2' 1 7 U H6 2.340 . 2.840 2.347 2.325 2.410 . 0 0 "[ . 1 ]" 1
512 1 6 C H2' 1 7 U H5 2.460 . 2.960 2.650 2.320 2.960 . 4 0 "[ . 1 ]" 1
513 1 6 C H3' 1 7 U H5 2.710 2.210 3.210 2.904 2.427 3.212 0.002 11 0 "[ . 1 ]" 1
514 1 7 U H1' 1 7 U H4' 3.530 2.830 4.230 3.523 3.500 3.542 . 0 0 "[ . 1 ]" 1
515 1 8 CM0 H2' 1 8 CM0 H6 4.340 3.440 5.240 4.222 4.009 4.348 . 0 0 "[ . 1 ]" 1
516 1 8 CM0 H3' 1 8 CM0 H6 3.550 2.850 4.250 3.436 3.169 3.652 . 0 0 "[ . 1 ]" 1
517 1 8 CM0 H1' 1 8 CM0 H6 3.300 2.600 4.000 3.371 3.290 3.479 . 0 0 "[ . 1 ]" 1
518 1 8 CM0 H1' 1 8 CM0 H2' 2.440 . 2.940 2.789 2.762 2.819 . 0 0 "[ . 1 ]" 1
519 1 8 CM0 H6 1 9 A H1' 6.490 5.190 7.790 6.407 5.518 6.862 . 0 0 "[ . 1 ]" 1
520 1 8 CM0 H1' 1 8 CM0 H4' 3.570 2.870 4.270 3.489 3.364 3.628 . 0 0 "[ . 1 ]" 1
521 1 8 CM0 H4' 1 8 CM0 H6 3.940 3.140 4.740 4.078 4.016 4.144 . 0 0 "[ . 1 ]" 1
522 1 8 CM0 H2' 1 9 A H4' 3.140 2.540 3.740 3.465 2.897 3.748 0.008 2 0 "[ . 1 ]" 1
523 1 9 A H1' 1 9 A H2' 2.440 . 2.940 2.979 2.827 3.066 0.126 11 0 "[ . 1 ]" 1
524 1 9 A H2' 1 9 A H8 3.530 2.830 4.230 3.598 2.801 4.280 0.050 8 0 "[ . 1 ]" 1
525 1 9 A H1' 1 9 A H8 3.680 2.980 4.380 3.698 3.539 3.869 . 0 0 "[ . 1 ]" 1
526 1 9 A H3' 1 9 A H8 4.750 3.750 5.750 4.432 3.724 5.022 0.026 8 0 "[ . 1 ]" 1
527 1 9 A H4' 1 9 A H8 4.030 3.230 4.830 4.499 4.330 4.786 . 0 0 "[ . 1 ]" 1
528 1 9 A H1' 1 9 A H4' 3.740 3.040 4.440 3.368 3.201 3.556 . 0 0 "[ . 1 ]" 1
529 1 9 A H2 1 11 A H1' 7.000 5.600 8.400 7.462 5.827 8.394 . 0 0 "[ . 1 ]" 1
530 1 7 U H1' 1 9 A H8 4.170 3.370 4.970 4.202 3.585 4.744 . 0 0 "[ . 1 ]" 1
531 1 9 A H2 1 10 C H1' 4.260 3.460 5.060 4.722 4.108 5.065 0.005 3 0 "[ . 1 ]" 1
532 1 8 CM0 H1' 1 9 A H8 5.580 4.480 6.680 5.394 5.144 5.595 . 0 0 "[ . 1 ]" 1
533 1 8 CM0 H2' 1 9 A H8 3.830 3.030 4.630 3.626 3.017 4.299 0.013 11 0 "[ . 1 ]" 1
534 1 8 CM0 H6 1 9 A H8 4.430 3.530 5.330 4.100 3.596 4.829 . 0 0 "[ . 1 ]" 1
535 1 8 CM0 H3' 1 9 A H8 2.750 2.250 3.250 2.661 2.289 3.212 . 0 0 "[ . 1 ]" 1
536 1 10 C H1' 1 10 C H2' 2.440 . 2.940 2.796 2.779 2.819 . 0 0 "[ . 1 ]" 1
537 1 10 C H5 1 10 C H6 2.440 . 2.940 2.440 2.439 2.441 . 0 0 "[ . 1 ]" 1
538 1 10 C H2' 1 10 C H6 3.430 2.730 4.130 3.602 3.397 3.817 . 0 0 "[ . 1 ]" 1
539 1 10 C H1' 1 10 C H6 3.680 2.980 4.380 3.632 3.579 3.668 . 0 0 "[ . 1 ]" 1
540 1 10 C H3' 1 10 C H6 2.480 . 2.980 2.451 2.327 2.675 . 0 0 "[ . 1 ]" 1
541 1 10 C H4' 1 10 C H6 3.840 3.040 4.640 3.914 3.819 4.018 . 0 0 "[ . 1 ]" 1
542 1 7 U H1' 1 10 C H6 6.090 4.890 7.290 6.507 5.849 7.071 . 0 0 "[ . 1 ]" 1
543 1 9 A H2' 1 10 C H6 2.760 2.260 3.260 2.929 2.330 3.280 0.020 11 0 "[ . 1 ]" 1
544 1 9 A H3' 1 10 C H6 4.150 3.350 4.950 4.189 3.459 4.634 . 0 0 "[ . 1 ]" 1
545 1 9 A H4' 1 10 C H6 5.820 4.620 7.020 5.853 5.542 6.075 . 0 0 "[ . 1 ]" 1
546 1 10 C H6 1 11 A H1' 5.540 4.440 6.640 5.756 4.643 6.466 . 0 0 "[ . 1 ]" 1
547 1 10 C H6 1 11 A H4' 7.010 5.610 8.410 7.146 6.312 7.676 . 0 0 "[ . 1 ]" 1
548 1 9 A H2' 1 10 C H5 2.390 . 2.890 2.652 2.351 2.828 . 0 0 "[ . 1 ]" 1
549 1 9 A H8 1 10 C H5 4.140 3.340 4.940 4.438 3.466 4.879 . 0 0 "[ . 1 ]" 1
550 1 10 C H5 1 11 A H8 4.780 3.880 5.680 5.294 4.530 5.679 . 0 0 "[ . 1 ]" 1
551 1 10 C H4' 1 11 A H8 5.480 4.380 6.580 5.431 5.281 5.664 . 0 0 "[ . 1 ]" 1
552 1 10 C H1' 1 10 C H4' 3.510 2.810 4.210 3.447 3.348 3.531 . 0 0 "[ . 1 ]" 1
553 1 11 A H1' 1 11 A H8 3.730 3.030 4.430 3.714 3.623 3.826 . 0 0 "[ . 1 ]" 1
554 1 11 A H3' 1 11 A H8 3.000 2.400 3.600 2.989 2.477 3.359 . 0 0 "[ . 1 ]" 1
555 1 11 A H2' 1 11 A H8 3.570 2.870 4.270 4.046 3.690 4.232 . 0 0 "[ . 1 ]" 1
556 1 11 A H4' 1 11 A H8 4.140 3.340 4.940 4.170 4.068 4.303 . 0 0 "[ . 1 ]" 1
557 1 11 A H1' 1 11 A H4' 3.530 2.830 4.230 3.546 3.488 3.601 . 0 0 "[ . 1 ]" 1
558 1 11 A H1' 1 11 A H3' 3.880 3.180 4.580 3.869 3.863 3.875 . 0 0 "[ . 1 ]" 1
559 1 11 A H1' 1 11 A H2' 2.440 . 2.940 2.774 2.761 2.787 . 0 0 "[ . 1 ]" 1
560 1 11 A H2 1 12 A H1' 3.530 2.830 4.230 3.513 2.952 3.764 . 0 0 "[ . 1 ]" 1
561 1 7 U H1' 1 11 A H2 6.710 5.410 8.010 6.876 5.620 8.015 0.005 6 0 "[ . 1 ]" 1
562 1 12 A H1' 1 12 A H8 3.570 2.870 4.270 3.745 3.687 3.781 . 0 0 "[ . 1 ]" 1
563 1 12 A H4' 1 12 A H8 4.330 3.430 5.230 4.179 4.126 4.256 . 0 0 "[ . 1 ]" 1
564 1 12 A H2' 1 12 A H8 4.290 3.490 5.090 3.964 3.849 4.117 . 0 0 "[ . 1 ]" 1
565 1 12 A H3' 1 12 A H8 3.450 2.750 4.150 2.876 2.747 3.099 0.003 6 0 "[ . 1 ]" 1
566 1 12 A H2' 1 13 G H8 2.370 . 2.870 2.325 2.304 2.347 . 0 0 "[ . 1 ]" 1
567 1 12 A H3' 1 13 G H8 2.400 . 2.900 2.405 2.257 2.667 . 0 0 "[ . 1 ]" 1
568 1 12 A H2 1 13 G H1' 3.490 2.790 4.190 3.561 2.789 4.197 0.007 7 0 "[ . 1 ]" 1
569 1 12 A H1' 1 13 G H8 4.870 3.870 5.870 4.763 4.582 4.872 . 0 0 "[ . 1 ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 28
_Distance_constraint_stats_list.Viol_count 142
_Distance_constraint_stats_list.Viol_total 26.539
_Distance_constraint_stats_list.Viol_max 0.047
_Distance_constraint_stats_list.Viol_rms 0.0112
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0078
_Distance_constraint_stats_list.Viol_average_violations_only 0.0170
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 C 0.504 0.019 4 0 "[ . 1 ]"
1 2 C 0.133 0.015 4 0 "[ . 1 ]"
1 3 U 0.744 0.047 4 0 "[ . 1 ]"
1 4 C 0.799 0.031 5 0 "[ . 1 ]"
1 5 C 0.232 0.020 7 0 "[ . 1 ]"
1 13 G 0.232 0.020 7 0 "[ . 1 ]"
1 14 G 0.799 0.031 5 0 "[ . 1 ]"
1 15 A 0.744 0.047 4 0 "[ . 1 ]"
1 16 G 0.133 0.015 4 0 "[ . 1 ]"
1 17 G 0.504 0.019 4 0 "[ . 1 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 C N3 1 17 G N1 2.910 2.810 3.010 3.013 3.012 3.015 0.005 4 0 "[ . 1 ]" 2
2 1 1 C N4 1 17 G O6 2.710 2.610 2.810 2.826 2.823 2.829 0.019 2 0 "[ . 1 ]" 2
3 1 1 C O2 1 17 G N2 3.080 2.980 3.180 3.091 3.087 3.096 . 0 0 "[ . 1 ]" 2
4 1 1 C N3 1 17 G H1 1.890 . 1.990 2.006 2.005 2.009 0.019 4 0 "[ . 1 ]" 2
5 1 1 C H41 1 17 G O6 1.710 . 1.810 1.820 1.816 1.822 0.012 4 0 "[ . 1 ]" 2
6 1 1 C O2 1 17 G H21 2.080 . 2.180 2.089 2.084 2.093 . 0 0 "[ . 1 ]" 2
7 1 2 C N3 1 16 G N1 2.910 2.810 3.010 3.005 3.001 3.009 . 0 0 "[ . 1 ]" 2
8 1 2 C N4 1 16 G O6 2.710 2.610 2.810 2.788 2.768 2.808 . 0 0 "[ . 1 ]" 2
9 1 2 C O2 1 16 G N2 3.080 2.980 3.180 3.130 3.117 3.141 . 0 0 "[ . 1 ]" 2
10 1 2 C N3 1 16 G H1 1.890 . 1.990 2.002 1.999 2.005 0.015 4 0 "[ . 1 ]" 2
11 1 2 C H41 1 16 G O6 1.710 . 1.810 1.781 1.762 1.800 . 0 0 "[ . 1 ]" 2
12 1 2 C O2 1 16 G H21 2.080 . 2.180 2.132 2.120 2.141 . 0 0 "[ . 1 ]" 2
13 1 3 U N3 1 15 A N1 2.950 2.850 3.050 3.074 3.070 3.076 0.026 4 0 "[ . 1 ]" 2
14 1 3 U O4 1 15 A N6 2.830 2.730 2.930 2.810 2.775 2.836 . 0 0 "[ . 1 ]" 2
15 1 3 U H3 1 15 A N1 1.930 . 2.030 2.074 2.071 2.077 0.047 4 0 "[ . 1 ]" 2
16 1 3 U O4 1 15 A H61 1.820 . 1.920 1.805 1.769 1.832 . 0 0 "[ . 1 ]" 2
17 1 4 C N3 1 14 G N1 2.910 2.810 3.010 2.959 2.958 2.960 . 0 0 "[ . 1 ]" 2
18 1 4 C N4 1 14 G O6 2.710 2.610 2.810 2.837 2.833 2.841 0.031 5 0 "[ . 1 ]" 2
19 1 4 C O2 1 14 G N2 3.080 2.980 3.180 2.969 2.967 2.974 0.013 2 0 "[ . 1 ]" 2
20 1 4 C N3 1 14 G H1 1.890 . 1.990 1.953 1.952 1.954 . 0 0 "[ . 1 ]" 2
21 1 4 C H41 1 14 G O6 1.710 . 1.810 1.835 1.830 1.839 0.029 2 0 "[ . 1 ]" 2
22 1 4 C O2 1 14 G H21 2.080 . 2.180 1.970 1.966 1.974 0.014 4 0 "[ . 1 ]" 2
23 1 5 C N3 1 13 G N1 2.910 2.810 3.010 3.015 3.009 3.019 0.009 7 0 "[ . 1 ]" 2
24 1 5 C N4 1 13 G O6 2.710 2.610 2.810 2.779 2.764 2.802 . 0 0 "[ . 1 ]" 2
25 1 5 C O2 1 13 G N2 3.080 2.980 3.180 3.124 3.109 3.135 . 0 0 "[ . 1 ]" 2
26 1 5 C N3 1 13 G H1 1.890 . 1.990 2.006 2.001 2.010 0.020 7 0 "[ . 1 ]" 2
27 1 5 C H41 1 13 G O6 1.710 . 1.810 1.775 1.760 1.798 . 0 0 "[ . 1 ]" 2
28 1 5 C O2 1 13 G H21 2.080 . 2.180 2.117 2.104 2.128 . 0 0 "[ . 1 ]" 2
stop_
save_
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