NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
609048 |
2nci   |
26024 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2nci
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 444
_Distance_constraint_stats_list.Viol_count 299
_Distance_constraint_stats_list.Viol_total 318.643
_Distance_constraint_stats_list.Viol_max 0.402
_Distance_constraint_stats_list.Viol_rms 0.0361
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0072
_Distance_constraint_stats_list.Viol_average_violations_only 0.1066
_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 G 0.497 0.054 8 0 "[ . 1]"
1 2 G 0.497 0.054 8 0 "[ . 1]"
1 3 A 0.157 0.025 1 0 "[ . 1]"
1 4 C 0.754 0.072 7 0 "[ . 1]"
1 5 G 2.284 0.201 5 0 "[ . 1]"
1 6 U 3.831 0.231 3 0 "[ . 1]"
1 7 U 9.231 0.402 9 0 "[ . 1]"
1 8 A 6.148 0.402 9 0 "[ . 1]"
1 9 A 1.147 0.117 1 0 "[ . 1]"
1 10 A 3.603 0.212 5 0 "[ . 1]"
1 11 A 0.385 0.219 1 0 "[ . 1]"
1 12 G 2.179 0.204 6 0 "[ . 1]"
1 13 G 0.781 0.108 1 0 "[ . 1]"
1 14 C 0.428 0.081 2 0 "[ . 1]"
1 15 U 0.740 0.250 5 0 "[ . 1]"
1 16 U 2.382 0.165 10 0 "[ . 1]"
1 17 C 9.501 0.384 7 0 "[ . 1]"
1 18 G 1.500 0.250 5 0 "[ . 1]"
1 19 G 0.177 0.032 6 0 "[ . 1]"
1 20 C 0.704 0.076 2 0 "[ . 1]"
1 21 C 2.297 0.212 5 0 "[ . 1]"
1 22 U 0.322 0.071 1 0 "[ . 1]"
1 23 A 0.006 0.006 6 0 "[ . 1]"
1 24 C 0.557 0.082 6 0 "[ . 1]"
1 25 G 1.466 0.116 8 0 "[ . 1]"
1 26 U 1.391 0.116 8 0 "[ . 1]"
1 27 C 0.941 0.062 8 0 "[ . 1]"
1 28 C 0.459 0.054 8 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 G H1' 1 1 G H2' 3.000 . 4.000 2.895 2.891 2.899 . 0 0 "[ . 1]" 1
2 1 1 G H1' 1 1 G H3' 4.000 . 6.000 3.921 3.918 3.926 . 0 0 "[ . 1]" 1
3 1 1 G H2' 1 1 G H3' 3.000 . 4.000 2.349 2.347 2.352 . 0 0 "[ . 1]" 1
4 1 1 G H1' 1 1 G H8 4.000 . 6.000 3.722 3.703 3.736 . 0 0 "[ . 1]" 1
5 1 1 G H2' 1 1 G H8 4.000 . 6.000 3.766 3.724 3.822 . 0 0 "[ . 1]" 1
6 1 1 G H3' 1 1 G H8 3.000 . 4.000 3.443 3.378 3.541 . 0 0 "[ . 1]" 1
7 1 1 G H8 1 2 G H8 5.000 3.000 7.000 4.740 4.671 4.805 . 0 0 "[ . 1]" 1
8 1 10 A H1' 1 12 G H1' 3.000 . 4.000 2.022 1.944 2.085 0.056 6 0 "[ . 1]" 1
9 1 10 A H1' 1 12 G H2' 4.000 3.000 5.000 4.260 4.116 4.522 . 0 0 "[ . 1]" 1
10 1 10 A H1' 1 13 G H1' 5.000 3.000 7.000 5.678 5.341 5.950 . 0 0 "[ . 1]" 1
11 1 10 A H2' 1 10 A H8 4.000 3.000 5.000 3.529 3.327 3.699 . 0 0 "[ . 1]" 1
12 1 9 A H2' 1 10 A H2' 3.000 . 4.000 3.530 3.129 4.012 0.012 5 0 "[ . 1]" 1
13 1 9 A H3' 1 10 A H2' 5.000 3.000 7.000 4.830 4.334 5.060 . 0 0 "[ . 1]" 1
14 1 9 A H8 1 10 A H2' 4.000 3.000 5.000 4.669 4.111 5.093 0.093 3 0 "[ . 1]" 1
15 1 10 A H2 1 13 G H1' 4.000 . 6.000 4.412 4.180 4.649 . 0 0 "[ . 1]" 1
16 1 10 A H2 1 13 G H4' 5.000 3.000 7.000 6.783 6.534 7.018 0.018 3 0 "[ . 1]" 1
17 1 10 A H2 1 13 G H8 5.000 3.000 7.000 6.962 6.662 7.071 0.071 1 0 "[ . 1]" 1
18 1 10 A H2 1 21 C H1' 4.000 3.000 5.000 5.145 5.039 5.212 0.212 5 0 "[ . 1]" 1
19 1 10 A H2 1 21 C H2' 5.000 3.000 7.000 5.200 4.931 5.609 . 0 0 "[ . 1]" 1
20 1 10 A H2 1 22 U H1' 3.000 . 4.000 3.340 2.804 3.820 . 0 0 "[ . 1]" 1
21 1 10 A H2 1 22 U H5 5.000 3.000 7.000 5.992 5.559 6.684 . 0 0 "[ . 1]" 1
22 1 10 A H2 1 22 U H6 5.000 3.000 7.000 5.102 4.670 5.664 . 0 0 "[ . 1]" 1
23 1 10 A H3' 1 10 A H8 5.000 3.000 7.000 5.202 5.034 5.260 . 0 0 "[ . 1]" 1
24 1 9 A H2' 1 10 A H3' 4.000 3.000 5.000 4.163 2.940 4.569 0.060 3 0 "[ . 1]" 1
25 1 9 A H8 1 10 A H3' 4.000 3.000 5.000 4.329 4.198 4.511 . 0 0 "[ . 1]" 1
26 1 10 A H4' 1 12 G H1' 3.000 . 4.000 3.286 3.041 3.546 . 0 0 "[ . 1]" 1
27 1 10 A H4' 1 12 G H2' 5.000 3.000 7.000 5.692 5.441 5.856 . 0 0 "[ . 1]" 1
28 1 10 A H4' 1 12 G H8 3.000 . 4.000 3.940 3.609 4.071 0.071 8 0 "[ . 1]" 1
29 1 10 A H1' 1 10 A H8 4.000 3.000 5.000 3.669 3.598 3.726 . 0 0 "[ . 1]" 1
30 1 10 A H8 1 12 G H2' 5.000 3.000 7.000 6.068 5.747 6.273 . 0 0 "[ . 1]" 1
31 1 9 A H2' 1 10 A H8 4.000 3.000 5.000 3.714 3.194 4.790 . 0 0 "[ . 1]" 1
32 1 11 A H1' 1 11 A H2' 5.000 3.000 7.000 3.040 2.781 3.082 0.219 1 0 "[ . 1]" 1
33 1 11 A H1' 1 11 A H8 5.000 3.000 7.000 3.584 3.070 3.893 . 0 0 "[ . 1]" 1
34 1 11 A H2' 1 11 A H8 5.000 3.000 7.000 3.437 2.868 4.503 0.132 4 0 "[ . 1]" 1
35 1 10 A H8 1 12 G H8 5.000 3.000 7.000 7.131 7.081 7.204 0.204 6 0 "[ . 1]" 1
36 1 12 G H1' 1 12 G H8 3.000 . 5.000 3.714 3.690 3.785 . 0 0 "[ . 1]" 1
37 1 12 G H2' 1 12 G H8 3.000 . 5.000 3.939 3.624 4.074 . 0 0 "[ . 1]" 1
38 1 12 G H3' 1 12 G H8 3.000 . 5.000 2.734 2.265 2.928 . 0 0 "[ . 1]" 1
39 1 12 G H8 1 13 G H5' 5.000 3.000 7.000 6.345 6.071 6.566 . 0 0 "[ . 1]" 1
40 1 13 G H1' 1 14 C H1' 5.000 3.000 7.000 5.711 5.510 5.804 . 0 0 "[ . 1]" 1
41 1 13 G H1' 1 13 G H2' 3.000 . 4.000 2.869 2.832 2.885 . 0 0 "[ . 1]" 1
42 1 13 G H1' 1 13 G H3' 4.000 . 6.000 3.937 3.905 3.952 . 0 0 "[ . 1]" 1
43 1 13 G H1' 1 13 G H4' 3.000 . 4.000 3.204 3.132 3.279 . 0 0 "[ . 1]" 1
44 1 13 G H1' 1 13 G H5'' 5.000 3.000 7.000 5.114 5.079 5.151 . 0 0 "[ . 1]" 1
45 1 13 G H3' 1 13 G H5'' 4.000 . 6.000 2.856 2.790 2.909 . 0 0 "[ . 1]" 1
46 1 13 G H1' 1 13 G H5' 5.000 3.000 7.000 4.587 4.571 4.615 . 0 0 "[ . 1]" 1
47 1 13 G H3' 1 13 G H5' 4.000 . 6.000 3.694 3.684 3.715 . 0 0 "[ . 1]" 1
48 1 12 G H1' 1 13 G H8 5.000 3.000 7.000 4.333 4.217 4.511 . 0 0 "[ . 1]" 1
49 1 12 G H2' 1 13 G H8 3.000 . 4.000 1.945 1.892 1.964 0.108 1 0 "[ . 1]" 1
50 1 12 G H3' 1 13 G H8 4.000 . 6.000 3.121 2.981 3.440 . 0 0 "[ . 1]" 1
51 1 12 G H8 1 13 G H8 4.000 . 6.000 4.401 4.005 4.652 . 0 0 "[ . 1]" 1
52 1 13 G H1' 1 13 G H8 4.000 . 6.000 3.686 3.668 3.703 . 0 0 "[ . 1]" 1
53 1 13 G H2' 1 13 G H8 4.000 . 6.000 3.876 3.830 3.922 . 0 0 "[ . 1]" 1
54 1 13 G H3' 1 13 G H8 3.000 . 4.000 3.529 3.276 3.623 . 0 0 "[ . 1]" 1
55 1 13 G H4' 1 13 G H8 4.000 . 6.000 4.513 4.436 4.573 . 0 0 "[ . 1]" 1
56 1 13 G H5'' 1 13 G H8 4.000 . 6.000 4.627 4.456 4.723 . 0 0 "[ . 1]" 1
57 1 13 G H5' 1 13 G H8 4.000 . 6.000 3.980 3.846 4.184 . 0 0 "[ . 1]" 1
58 1 13 G H8 1 14 C H5 4.000 . 6.000 4.300 4.196 4.651 . 0 0 "[ . 1]" 1
59 1 13 G H8 1 14 C H6 4.000 . 6.000 5.203 5.118 5.485 . 0 0 "[ . 1]" 1
60 1 14 C H1' 1 14 C H2' 3.000 . 4.000 2.824 2.772 2.837 . 0 0 "[ . 1]" 1
61 1 14 C H2' 1 14 C H5 5.000 3.000 7.000 5.104 5.034 5.304 . 0 0 "[ . 1]" 1
62 1 14 C H1' 1 14 C H3' 4.000 . 6.000 3.883 3.853 3.894 . 0 0 "[ . 1]" 1
63 1 14 C H2' 1 14 C H3' 3.000 . 4.000 2.372 2.357 2.414 . 0 0 "[ . 1]" 1
64 1 14 C H3' 1 14 C H4' 3.000 . 4.000 3.007 3.003 3.010 . 0 0 "[ . 1]" 1
65 1 14 C H3' 1 14 C H5 5.000 3.000 7.000 4.757 4.556 4.842 . 0 0 "[ . 1]" 1
66 1 14 C H3' 1 15 U H1' 5.000 3.000 7.000 6.102 5.512 6.361 . 0 0 "[ . 1]" 1
67 1 14 C H3' 1 15 U H5 3.000 . 5.000 3.265 2.800 3.608 . 0 0 "[ . 1]" 1
68 1 14 C H1' 1 14 C H4' 4.000 . 6.000 3.260 3.214 3.412 . 0 0 "[ . 1]" 1
69 1 14 C H1' 1 14 C H5' 5.000 3.000 7.000 4.592 4.573 4.660 . 0 0 "[ . 1]" 1
70 1 14 C H5 1 14 C H5' 5.000 3.000 7.000 6.032 5.739 6.123 . 0 0 "[ . 1]" 1
71 1 14 C H1' 1 14 C H5 5.000 3.000 7.000 5.357 5.342 5.364 . 0 0 "[ . 1]" 1
72 1 13 G H1' 1 14 C H6 5.000 3.000 7.000 4.735 4.684 4.883 . 0 0 "[ . 1]" 1
73 1 13 G H2' 1 14 C H6 3.000 . 5.000 1.941 1.905 2.096 . 0 0 "[ . 1]" 1
74 1 13 G H3' 1 14 C H6 3.000 . 4.000 3.339 3.311 3.368 . 0 0 "[ . 1]" 1
75 1 14 C H1' 1 14 C H6 4.000 . 6.000 3.612 3.598 3.623 . 0 0 "[ . 1]" 1
76 1 14 C H2' 1 14 C H6 4.000 . 6.000 3.624 3.564 3.776 . 0 0 "[ . 1]" 1
77 1 14 C H3' 1 14 C H6 3.000 . 4.000 2.811 2.663 2.873 . 0 0 "[ . 1]" 1
78 1 14 C H5'' 1 14 C H6 4.000 . 6.000 4.211 3.894 4.299 . 0 0 "[ . 1]" 1
79 1 14 C H5' 1 14 C H6 4.000 . 6.000 3.748 3.512 3.825 . 0 0 "[ . 1]" 1
80 1 14 C H5 1 14 C H6 3.000 . 4.000 2.437 2.430 2.439 . 0 0 "[ . 1]" 1
81 1 14 C H6 1 15 U H5 4.000 . 6.000 3.623 3.311 3.893 . 0 0 "[ . 1]" 1
82 1 14 C H6 1 15 U H6 5.000 3.000 7.000 4.513 4.210 4.641 . 0 0 "[ . 1]" 1
83 1 14 C H1' 1 15 U H1' 5.000 3.000 7.000 5.470 5.041 5.965 . 0 0 "[ . 1]" 1
84 1 15 U H1' 1 16 U H5 5.000 3.000 7.000 5.883 5.019 6.697 . 0 0 "[ . 1]" 1
85 1 15 U H1' 1 17 C H5 5.000 3.000 7.000 5.560 5.276 5.871 . 0 0 "[ . 1]" 1
86 1 15 U H1' 1 15 U H2' 3.000 . 4.000 2.791 2.771 2.813 . 0 0 "[ . 1]" 1
87 1 15 U H2' 1 15 U H3' 3.000 . 4.000 2.424 2.415 2.433 . 0 0 "[ . 1]" 1
88 1 15 U H2' 1 15 U H5 5.000 3.000 7.000 5.365 5.312 5.515 . 0 0 "[ . 1]" 1
89 1 15 U H2' 1 16 U H2' 4.000 . 6.000 2.869 2.399 3.374 . 0 0 "[ . 1]" 1
90 1 15 U H2' 1 16 U H3' 4.000 . 6.000 3.639 3.284 4.024 . 0 0 "[ . 1]" 1
91 1 15 U H2' 1 16 U H5 5.000 3.000 7.000 5.415 5.047 5.740 . 0 0 "[ . 1]" 1
92 1 15 U H2' 1 17 C H5 3.000 . 4.000 2.874 2.694 3.096 . 0 0 "[ . 1]" 1
93 1 15 U H1' 1 15 U H3' 4.000 . 6.000 3.825 3.796 3.892 . 0 0 "[ . 1]" 1
94 1 15 U H3' 1 15 U H5 4.000 . 6.000 4.576 4.349 5.101 . 0 0 "[ . 1]" 1
95 1 15 U H3' 1 16 U H5 5.000 3.000 7.000 5.352 5.276 5.440 . 0 0 "[ . 1]" 1
96 1 15 U H3' 1 17 C H5 4.000 . 6.000 3.926 3.686 4.150 . 0 0 "[ . 1]" 1
97 1 15 U H1' 1 15 U H4' 3.000 . 4.000 3.378 3.288 3.445 . 0 0 "[ . 1]" 1
98 1 15 U H2' 1 15 U H4' 4.000 . 6.000 3.763 3.740 3.866 . 0 0 "[ . 1]" 1
99 1 15 U H3' 1 15 U H4' 3.000 . 4.000 3.013 2.987 3.018 . 0 0 "[ . 1]" 1
100 1 15 U H4' 1 16 U H5 4.000 . 4.000 3.585 3.097 4.026 0.026 9 0 "[ . 1]" 1
101 1 15 U H1' 1 15 U H5'' 5.000 3.000 7.000 5.197 5.160 5.230 . 0 0 "[ . 1]" 1
102 1 15 U H1' 1 15 U H5' 5.000 3.000 7.000 4.667 4.646 4.714 . 0 0 "[ . 1]" 1
103 1 15 U H5 1 15 U H5' 5.000 3.000 7.000 5.841 5.633 6.104 . 0 0 "[ . 1]" 1
104 1 15 U H5' 1 16 U H5 5.000 3.000 7.000 5.565 5.156 5.920 . 0 0 "[ . 1]" 1
105 1 14 C H1' 1 15 U H5 5.000 3.000 7.000 5.547 5.344 5.737 . 0 0 "[ . 1]" 1
106 1 14 C H1' 1 15 U H6 5.000 3.000 7.000 4.717 4.628 4.778 . 0 0 "[ . 1]" 1
107 1 14 C H2' 1 15 U H6 3.000 . 4.000 1.957 1.919 2.002 0.081 2 0 "[ . 1]" 1
108 1 14 C H3' 1 15 U H6 3.000 . 4.000 3.015 2.470 3.172 . 0 0 "[ . 1]" 1
109 1 14 C H5 1 15 U H6 5.000 3.000 7.000 5.356 5.182 5.506 . 0 0 "[ . 1]" 1
110 1 15 U H1' 1 15 U H6 3.000 . 5.000 3.577 3.532 3.616 . 0 0 "[ . 1]" 1
111 1 15 U H2' 1 15 U H6 4.000 . 6.000 3.874 3.802 3.988 . 0 0 "[ . 1]" 1
112 1 15 U H3' 1 15 U H6 3.000 . 4.000 2.747 2.511 3.191 . 0 0 "[ . 1]" 1
113 1 15 U H4' 1 15 U H6 4.000 . 6.000 4.081 3.996 4.165 . 0 0 "[ . 1]" 1
114 1 15 U H5'' 1 15 U H6 4.000 . 6.000 3.980 3.877 4.139 . 0 0 "[ . 1]" 1
115 1 15 U H5' 1 15 U H6 4.000 . 6.000 3.625 3.441 3.867 . 0 0 "[ . 1]" 1
116 1 15 U H5 1 15 U H6 3.000 . 4.000 2.398 2.386 2.409 . 0 0 "[ . 1]" 1
117 1 15 U H6 1 17 C H5 5.000 3.000 7.000 5.714 5.617 5.873 . 0 0 "[ . 1]" 1
118 1 16 U H1' 1 16 U H5 5.000 3.000 7.000 5.393 5.359 5.419 . 0 0 "[ . 1]" 1
119 1 15 U H1' 1 16 U H2' 5.000 3.000 7.000 4.629 4.361 4.758 . 0 0 "[ . 1]" 1
120 1 16 U H1' 1 16 U H2' 3.000 . 4.000 3.067 3.057 3.078 . 0 0 "[ . 1]" 1
121 1 16 U H2' 1 16 U H3' 3.000 . 4.000 2.385 2.375 2.407 . 0 0 "[ . 1]" 1
122 1 16 U H2' 1 16 U H5' 3.000 . 4.000 4.063 4.031 4.092 0.092 1 0 "[ . 1]" 1
123 1 16 U H2' 1 16 U H5 4.000 . 6.000 4.613 4.404 4.883 . 0 0 "[ . 1]" 1
124 1 16 U H2' 1 17 C H5 4.000 . 6.000 3.666 3.029 4.314 . 0 0 "[ . 1]" 1
125 1 16 U H2' 1 17 C H6 4.000 . 6.000 4.073 3.383 4.764 . 0 0 "[ . 1]" 1
126 1 16 U H1' 1 16 U H3' 4.000 . 6.000 3.843 3.761 3.903 . 0 0 "[ . 1]" 1
127 1 16 U H3' 1 16 U H5 5.000 3.000 7.000 6.645 6.391 6.916 . 0 0 "[ . 1]" 1
128 1 16 U H1' 1 16 U H4' 3.000 . 4.000 3.323 3.175 3.427 . 0 0 "[ . 1]" 1
129 1 16 U H2' 1 16 U H4' 4.000 . 6.000 3.839 3.805 3.857 . 0 0 "[ . 1]" 1
130 1 16 U H4' 1 16 U H5' 3.000 . 4.000 2.474 2.404 2.495 . 0 0 "[ . 1]" 1
131 1 16 U H1' 1 16 U H5'' 5.000 3.000 7.000 4.977 4.899 5.033 . 0 0 "[ . 1]" 1
132 1 16 U H1' 1 16 U H5' 5.000 3.000 7.000 4.598 4.561 4.696 . 0 0 "[ . 1]" 1
133 1 16 U H5 1 16 U H5' 5.000 3.000 7.000 5.500 5.196 5.870 . 0 0 "[ . 1]" 1
134 1 16 U H5 1 17 C H5 5.000 3.000 7.000 7.089 7.032 7.127 0.127 1 0 "[ . 1]" 1
135 1 15 U H1' 1 16 U H6 5.000 3.000 7.000 5.669 5.419 5.898 . 0 0 "[ . 1]" 1
136 1 15 U H2' 1 16 U H6 4.000 . 6.000 4.197 4.138 4.315 . 0 0 "[ . 1]" 1
137 1 15 U H3' 1 16 U H6 5.000 3.000 7.000 4.647 4.574 4.766 . 0 0 "[ . 1]" 1
138 1 15 U H4' 1 16 U H6 4.000 . 6.000 4.170 3.927 4.356 . 0 0 "[ . 1]" 1
139 1 16 U H1' 1 16 U H6 3.000 . 4.000 3.670 3.628 3.707 . 0 0 "[ . 1]" 1
140 1 16 U H2' 1 16 U H6 3.000 . 4.000 2.793 2.431 3.182 . 0 0 "[ . 1]" 1
141 1 16 U H3' 1 16 U H6 4.000 . 6.000 4.434 4.089 4.784 . 0 0 "[ . 1]" 1
142 1 16 U H4' 1 16 U H6 4.000 . 6.000 4.344 4.273 4.421 . 0 0 "[ . 1]" 1
143 1 16 U H5'' 1 16 U H6 4.000 . 6.000 4.288 3.998 4.650 . 0 0 "[ . 1]" 1
144 1 16 U H5' 1 16 U H6 4.000 . 6.000 3.359 3.203 3.593 . 0 0 "[ . 1]" 1
145 1 16 U H5 1 16 U H6 3.000 . 4.000 2.393 2.388 2.414 . 0 0 "[ . 1]" 1
146 1 16 U H6 1 17 C H5 5.000 3.000 7.000 5.136 4.994 5.311 . 0 0 "[ . 1]" 1
147 1 16 U H6 1 17 C H6 5.000 3.000 7.000 6.375 6.348 6.417 . 0 0 "[ . 1]" 1
148 1 17 C H1' 1 17 C H2' 3.000 . 4.000 3.053 3.045 3.055 . 0 0 "[ . 1]" 1
149 1 17 C H1' 1 17 C H3' 4.000 . 6.000 3.904 3.895 3.919 . 0 0 "[ . 1]" 1
150 1 17 C H3' 1 17 C H5 4.000 . 6.000 6.360 6.346 6.384 0.384 7 0 "[ . 1]" 1
151 1 17 C H1' 1 17 C H4' 3.000 . 4.000 3.324 3.300 3.334 . 0 0 "[ . 1]" 1
152 1 17 C H2' 1 17 C H4' 4.000 . 6.000 3.901 3.894 3.916 . 0 0 "[ . 1]" 1
153 1 17 C H3' 1 17 C H4' 3.000 . 4.000 2.733 2.728 2.748 . 0 0 "[ . 1]" 1
154 1 17 C H4' 1 17 C H5 5.000 3.000 7.000 6.592 6.570 6.624 . 0 0 "[ . 1]" 1
155 1 17 C H4' 1 18 G H3' 4.000 . 6.000 3.918 3.757 4.137 . 0 0 "[ . 1]" 1
156 1 17 C H4' 1 18 G H4' 4.000 . 6.000 4.199 4.126 4.304 . 0 0 "[ . 1]" 1
157 1 17 C H4' 1 18 G H5'' 4.000 . 6.000 2.127 2.096 2.279 . 0 0 "[ . 1]" 1
158 1 16 U H3' 1 17 C H5'' 4.000 . 6.000 4.776 4.696 4.821 . 0 0 "[ . 1]" 1
159 1 17 C H1' 1 17 C H5'' 5.000 3.000 7.000 4.941 4.930 4.954 . 0 0 "[ . 1]" 1
160 1 17 C H2' 1 17 C H5'' 4.000 . 6.000 3.696 3.640 3.737 . 0 0 "[ . 1]" 1
161 1 17 C H3' 1 17 C H5'' 3.000 . 4.000 2.268 2.233 2.306 . 0 0 "[ . 1]" 1
162 1 17 C H4' 1 17 C H5'' 3.000 . 4.000 2.562 2.533 2.592 . 0 0 "[ . 1]" 1
163 1 17 C H5' 1 17 C H5'' 3.000 . 4.000 1.795 1.790 1.799 0.210 8 0 "[ . 1]" 1
164 1 17 C H5 1 17 C H5'' 5.000 3.000 7.000 6.188 6.117 6.249 . 0 0 "[ . 1]" 1
165 1 17 C H5'' 1 18 G H1' 4.000 . 6.000 4.993 4.770 5.115 . 0 0 "[ . 1]" 1
166 1 17 C H5'' 1 18 G H3' 5.000 3.000 7.000 5.994 5.853 6.166 . 0 0 "[ . 1]" 1
167 1 17 C H5'' 1 18 G H4' 5.000 3.000 7.000 5.372 5.195 5.506 . 0 0 "[ . 1]" 1
168 1 17 C H5'' 1 18 G H5'' 5.000 3.000 7.000 4.452 4.417 4.507 . 0 0 "[ . 1]" 1
169 1 16 U H3' 1 17 C H5' 4.000 . 6.000 4.255 4.125 4.371 . 0 0 "[ . 1]" 1
170 1 17 C H1' 1 17 C H5' 5.000 3.000 7.000 4.798 4.767 4.827 . 0 0 "[ . 1]" 1
171 1 17 C H2' 1 17 C H5' 4.000 . 6.000 4.486 4.449 4.562 . 0 0 "[ . 1]" 1
172 1 17 C H3' 1 17 C H5' 4.000 . 6.000 3.595 3.572 3.623 . 0 0 "[ . 1]" 1
173 1 17 C H4' 1 17 C H5' 3.000 . 4.000 2.301 2.283 2.320 . 0 0 "[ . 1]" 1
174 1 17 C H5 1 17 C H5' 5.000 3.000 7.000 5.895 5.827 5.971 . 0 0 "[ . 1]" 1
175 1 17 C H5' 1 18 G H3' 5.000 3.000 7.000 5.012 4.804 5.265 . 0 0 "[ . 1]" 1
176 1 17 C H5' 1 18 G H4' 3.000 . 5.000 5.125 5.085 5.175 0.175 7 0 "[ . 1]" 1
177 1 17 C H5' 1 18 G H5'' 5.000 3.000 7.000 4.079 4.017 4.152 . 0 0 "[ . 1]" 1
178 1 16 U H3' 1 17 C H5 4.000 . 6.000 2.456 2.198 2.759 . 0 0 "[ . 1]" 1
179 1 16 U H5'' 1 17 C H5 4.000 . 6.000 2.420 1.968 2.985 0.032 9 0 "[ . 1]" 1
180 1 16 U H5' 1 17 C H5 3.000 . 4.000 3.892 3.642 4.165 0.165 10 0 "[ . 1]" 1
181 1 17 C H1' 1 17 C H5 5.000 3.000 7.000 5.361 5.346 5.370 . 0 0 "[ . 1]" 1
182 1 17 C H2' 1 17 C H5 4.000 . 6.000 4.521 4.449 4.592 . 0 0 "[ . 1]" 1
183 1 15 U H1' 1 17 C H6 5.000 3.000 7.000 6.159 5.847 6.514 . 0 0 "[ . 1]" 1
184 1 15 U H2' 1 17 C H6 4.000 . 6.000 4.030 3.759 4.145 . 0 0 "[ . 1]" 1
185 1 16 U H1' 1 17 C H6 5.000 3.000 7.000 5.803 5.320 6.297 . 0 0 "[ . 1]" 1
186 1 16 U H5'' 1 17 C H6 4.000 . 6.000 3.921 3.469 4.420 . 0 0 "[ . 1]" 1
187 1 16 U H5' 1 17 C H6 4.000 . 6.000 5.435 5.170 5.695 . 0 0 "[ . 1]" 1
188 1 17 C H1' 1 17 C H6 4.000 . 6.000 3.645 3.620 3.660 . 0 0 "[ . 1]" 1
189 1 17 C H2' 1 17 C H6 3.000 . 4.000 2.666 2.551 2.801 . 0 0 "[ . 1]" 1
190 1 17 C H3' 1 17 C H6 3.000 . 4.000 4.091 4.055 4.133 0.133 5 0 "[ . 1]" 1
191 1 17 C H4' 1 17 C H6 4.000 . 6.000 4.251 4.204 4.291 . 0 0 "[ . 1]" 1
192 1 17 C H5'' 1 17 C H6 4.000 . 6.000 3.931 3.875 3.976 . 0 0 "[ . 1]" 1
193 1 17 C H5' 1 17 C H6 4.000 . 6.000 3.758 3.662 3.819 . 0 0 "[ . 1]" 1
194 1 17 C H5 1 17 C H6 3.000 . 4.000 2.400 2.392 2.406 . 0 0 "[ . 1]" 1
195 1 18 G H1' 1 18 G H2' 3.000 . 4.000 2.835 2.804 2.851 . 0 0 "[ . 1]" 1
196 1 18 G H1' 1 18 G H3' 4.000 . 6.000 3.938 3.910 3.953 . 0 0 "[ . 1]" 1
197 1 15 U H1' 1 18 G H1 3.000 . 4.000 3.660 3.386 3.949 . 0 0 "[ . 1]" 1
198 1 15 U H2' 1 18 G H1 3.000 . 4.000 3.909 3.725 4.250 0.250 5 0 "[ . 1]" 1
199 1 17 C H1' 1 18 G H1 4.000 . 6.000 3.965 3.698 4.148 . 0 0 "[ . 1]" 1
200 1 18 G H2' 1 18 G H3' 3.000 . 4.000 2.393 2.390 2.397 . 0 0 "[ . 1]" 1
201 1 18 G H2' 1 18 G H4' 3.000 . 5.000 3.837 3.812 3.854 . 0 0 "[ . 1]" 1
202 1 18 G H1' 1 18 G H4' 3.000 . 4.000 3.280 3.244 3.371 . 0 0 "[ . 1]" 1
203 1 18 G H3' 1 18 G H5'' 3.000 . 4.000 2.416 2.368 2.472 . 0 0 "[ . 1]" 1
204 1 17 C H4' 1 18 G H5' 4.000 . 6.000 3.563 3.538 3.642 . 0 0 "[ . 1]" 1
205 1 18 G H1' 1 18 G H5' 5.000 3.000 7.000 5.145 5.126 5.170 . 0 0 "[ . 1]" 1
206 1 18 G H3' 1 18 G H5' 3.000 . 4.000 3.094 3.011 3.154 . 0 0 "[ . 1]" 1
207 1 17 C H4' 1 18 G H8 4.000 . 6.000 5.642 5.502 5.816 . 0 0 "[ . 1]" 1
208 1 17 C H5'' 1 18 G H8 4.000 . 6.000 5.532 5.228 6.000 . 0 0 "[ . 1]" 1
209 1 17 C H5' 1 18 G H8 4.000 . 6.000 4.131 3.857 4.533 . 0 0 "[ . 1]" 1
210 1 18 G H1' 1 18 G H8 2.100 . 2.600 2.519 2.491 2.552 . 0 0 "[ . 1]" 1
211 1 18 G H2' 1 18 G H8 4.000 3.000 5.000 3.801 3.626 3.958 . 0 0 "[ . 1]" 1
212 1 18 G H3' 1 18 G H8 5.000 3.000 7.000 5.376 5.244 5.481 . 0 0 "[ . 1]" 1
213 1 18 G H4' 1 18 G H8 5.000 3.000 7.000 5.667 5.620 5.727 . 0 0 "[ . 1]" 1
214 1 19 G H1' 1 20 C H5 5.000 3.000 7.000 5.805 5.709 5.894 . 0 0 "[ . 1]" 1
215 1 19 G H1' 1 20 C H6 5.000 3.000 7.000 4.726 4.703 4.792 . 0 0 "[ . 1]" 1
216 1 19 G H2' 1 20 C H5 4.000 . 6.000 3.473 3.378 3.535 . 0 0 "[ . 1]" 1
217 1 19 G H2' 1 20 C H6 3.000 . 4.000 1.987 1.968 2.049 0.032 6 0 "[ . 1]" 1
218 1 18 G H2' 1 19 G H8 4.000 . 6.000 3.629 3.232 3.764 . 0 0 "[ . 1]" 1
219 1 18 G H3' 1 19 G H8 4.000 . 6.000 2.461 2.301 2.634 . 0 0 "[ . 1]" 1
220 1 19 G H1' 1 19 G H8 4.000 . 6.000 3.746 3.725 3.784 . 0 0 "[ . 1]" 1
221 1 19 G H2' 1 19 G H8 4.000 . 6.000 3.853 3.763 3.940 . 0 0 "[ . 1]" 1
222 1 19 G H5' 1 19 G H8 3.000 . 5.000 3.835 3.700 3.920 . 0 0 "[ . 1]" 1
223 1 19 G H8 1 20 C H5 4.000 . 6.000 4.540 4.360 4.696 . 0 0 "[ . 1]" 1
224 1 19 G H8 1 20 C H6 5.000 3.000 7.000 5.123 4.978 5.234 . 0 0 "[ . 1]" 1
225 1 2 G H1' 1 2 G H2' 3.000 . 4.000 2.896 2.892 2.902 . 0 0 "[ . 1]" 1
226 1 2 G H1' 1 2 G H3' 4.000 . 6.000 3.910 3.906 3.914 . 0 0 "[ . 1]" 1
227 1 1 G H1' 1 2 G H8 5.000 3.000 7.000 4.612 4.594 4.639 . 0 0 "[ . 1]" 1
228 1 1 G H2' 1 2 G H8 3.000 . 4.000 1.950 1.946 1.959 0.054 8 0 "[ . 1]" 1
229 1 1 G H3' 1 2 G H8 3.000 . 4.000 3.606 3.568 3.636 . 0 0 "[ . 1]" 1
230 1 2 G H1' 1 2 G H8 4.000 . 6.000 3.736 3.723 3.747 . 0 0 "[ . 1]" 1
231 1 2 G H2' 1 2 G H8 4.000 . 6.000 3.764 3.738 3.806 . 0 0 "[ . 1]" 1
232 1 20 C H1' 1 20 C H2' 3.000 . 4.000 2.828 2.815 2.847 . 0 0 "[ . 1]" 1
233 1 20 C H1' 1 20 C H3' 4.000 . 6.000 3.917 3.905 3.923 . 0 0 "[ . 1]" 1
234 1 20 C H1' 1 21 C H6 5.000 3.000 7.000 4.622 4.561 4.689 . 0 0 "[ . 1]" 1
235 1 20 C H2' 1 21 C H5 3.000 . 4.000 3.142 3.042 3.279 . 0 0 "[ . 1]" 1
236 1 20 C H2' 1 21 C H6 3.000 . 4.000 1.947 1.924 1.975 0.076 2 0 "[ . 1]" 1
237 1 20 C H3' 1 21 C H6 4.000 . 6.000 3.567 3.510 3.713 . 0 0 "[ . 1]" 1
238 1 20 C H1' 1 20 C H6 4.000 . 6.000 3.589 3.578 3.603 . 0 0 "[ . 1]" 1
239 1 20 C H2' 1 20 C H6 4.000 . 6.000 3.682 3.616 3.719 . 0 0 "[ . 1]" 1
240 1 20 C H3' 1 20 C H6 3.000 . 4.000 2.993 2.961 3.031 . 0 0 "[ . 1]" 1
241 1 20 C H5 1 20 C H6 3.000 . 4.000 2.436 2.434 2.438 . 0 0 "[ . 1]" 1
242 1 21 C H1' 1 21 C H5 5.000 3.000 7.000 5.324 5.311 5.345 . 0 0 "[ . 1]" 1
243 1 21 C H1' 1 21 C H2' 3.000 . 4.000 2.871 2.834 2.895 . 0 0 "[ . 1]" 1
244 1 20 C H5 1 21 C H5 4.000 . 6.000 4.346 4.052 4.606 . 0 0 "[ . 1]" 1
245 1 21 C H5 1 22 U H5 4.000 . 6.000 4.923 4.630 5.564 . 0 0 "[ . 1]" 1
246 1 21 C H1' 1 21 C H6 3.000 . 5.000 3.596 3.578 3.617 . 0 0 "[ . 1]" 1
247 1 21 C H2' 1 21 C H6 4.000 . 6.000 3.671 3.558 3.758 . 0 0 "[ . 1]" 1
248 1 21 C H3' 1 21 C H6 3.000 . 5.000 3.252 3.138 3.335 . 0 0 "[ . 1]" 1
249 1 21 C H5 1 21 C H6 3.000 . 4.000 2.440 2.437 2.443 . 0 0 "[ . 1]" 1
250 1 21 C H6 1 22 U H5 4.000 . 6.000 4.541 4.397 4.941 . 0 0 "[ . 1]" 1
251 1 21 C H6 1 22 U H6 5.000 3.000 7.000 5.472 5.333 6.034 . 0 0 "[ . 1]" 1
252 1 22 U H1' 1 22 U H2' 3.000 . 4.000 2.902 2.888 2.912 . 0 0 "[ . 1]" 1
253 1 22 U H1' 1 22 U H3' 4.000 . 6.000 3.992 3.955 4.012 . 0 0 "[ . 1]" 1
254 1 22 U H1' 1 22 U H4' 4.000 . 6.000 3.243 3.174 3.337 . 0 0 "[ . 1]" 1
255 1 22 U H1' 1 22 U H5'' 5.000 3.000 7.000 5.102 5.077 5.135 . 0 0 "[ . 1]" 1
256 1 21 C H1' 1 22 U H5 5.000 3.000 7.000 5.184 5.104 5.290 . 0 0 "[ . 1]" 1
257 1 21 C H1' 1 22 U H6 5.000 3.000 7.000 4.685 4.600 4.939 . 0 0 "[ . 1]" 1
258 1 21 C H2' 1 22 U H6 3.000 . 4.000 2.035 1.929 2.546 0.071 1 0 "[ . 1]" 1
259 1 22 U H1' 1 22 U H6 4.000 . 6.000 3.590 3.558 3.628 . 0 0 "[ . 1]" 1
260 1 22 U H2' 1 22 U H6 4.000 . 6.000 3.621 3.532 3.716 . 0 0 "[ . 1]" 1
261 1 22 U H3' 1 22 U H6 3.000 . 4.000 3.420 3.212 3.557 . 0 0 "[ . 1]" 1
262 1 22 U H5'' 1 22 U H6 5.000 3.000 7.000 4.271 3.998 4.417 . 0 0 "[ . 1]" 1
263 1 22 U H5 1 22 U H6 3.000 . 4.000 2.405 2.403 2.406 . 0 0 "[ . 1]" 1
264 1 23 A H2' 1 24 C H5 4.000 . 6.000 3.388 3.138 3.663 . 0 0 "[ . 1]" 1
265 1 22 U H1' 1 23 A H8 5.000 3.000 7.000 6.566 6.452 6.663 . 0 0 "[ . 1]" 1
266 1 22 U H2' 1 23 A H8 3.000 . 4.000 3.830 3.666 3.982 . 0 0 "[ . 1]" 1
267 1 22 U H3' 1 23 A H8 4.000 . 6.000 4.024 3.651 4.409 . 0 0 "[ . 1]" 1
268 1 22 U H4' 1 23 A H8 5.000 3.000 7.000 6.366 6.209 6.564 . 0 0 "[ . 1]" 1
269 1 22 U H6 1 23 A H8 5.000 3.000 7.000 6.758 6.286 7.006 0.006 6 0 "[ . 1]" 1
270 1 23 A H1' 1 23 A H8 4.000 . 6.000 3.868 3.858 3.876 . 0 0 "[ . 1]" 1
271 1 23 A H2' 1 23 A H8 4.000 . 6.000 3.305 3.261 3.363 . 0 0 "[ . 1]" 1
272 1 23 A H3' 1 23 A H8 3.000 . 4.000 2.257 2.160 2.397 . 0 0 "[ . 1]" 1
273 1 23 A H4' 1 23 A H8 5.000 3.000 7.000 4.210 4.171 4.298 . 0 0 "[ . 1]" 1
274 1 23 A H8 1 24 C H6 5.000 3.000 7.000 4.755 4.521 5.057 . 0 0 "[ . 1]" 1
275 1 24 C H1' 1 24 C H2' 3.000 . 4.000 2.790 2.754 2.808 . 0 0 "[ . 1]" 1
276 1 24 C H1' 1 24 C H3' 4.000 . 6.000 3.911 3.847 3.927 . 0 0 "[ . 1]" 1
277 1 23 A H1' 1 24 C H6 5.000 3.000 7.000 4.788 4.562 5.139 . 0 0 "[ . 1]" 1
278 1 23 A H3' 1 24 C H6 5.000 3.000 7.000 3.477 3.345 3.715 . 0 0 "[ . 1]" 1
279 1 23 A H4' 1 24 C H6 5.000 3.000 7.000 5.401 5.169 5.665 . 0 0 "[ . 1]" 1
280 1 24 C H1' 1 24 C H6 4.000 . 6.000 3.468 3.423 3.510 . 0 0 "[ . 1]" 1
281 1 24 C H2' 1 24 C H6 4.000 . 6.000 4.065 3.961 4.246 . 0 0 "[ . 1]" 1
282 1 24 C H3' 1 24 C H6 3.000 . 4.000 3.396 3.319 3.459 . 0 0 "[ . 1]" 1
283 1 24 C H5 1 24 C H6 3.000 . 4.000 2.439 2.434 2.443 . 0 0 "[ . 1]" 1
284 1 25 G H1' 1 25 G H2' 3.000 . 4.000 2.863 2.839 2.876 . 0 0 "[ . 1]" 1
285 1 24 C H1' 1 25 G H8 5.000 3.000 7.000 4.593 4.571 4.640 . 0 0 "[ . 1]" 1
286 1 24 C H2' 1 25 G H8 3.000 . 4.000 1.959 1.918 2.146 0.082 6 0 "[ . 1]" 1
287 1 25 G H1' 1 25 G H8 4.000 . 6.000 3.703 3.672 3.719 . 0 0 "[ . 1]" 1
288 1 25 G H2' 1 25 G H8 4.000 . 6.000 3.854 3.797 3.932 . 0 0 "[ . 1]" 1
289 1 26 U H1' 1 26 U H5 5.000 3.000 7.000 5.252 5.244 5.258 . 0 0 "[ . 1]" 1
290 1 26 U H1' 1 26 U H2' 3.000 . 4.000 2.876 2.854 2.885 . 0 0 "[ . 1]" 1
291 1 26 U H2' 1 26 U H5 5.000 3.000 7.000 5.289 5.249 5.428 . 0 0 "[ . 1]" 1
292 1 26 U H1' 1 26 U H3' 4.000 . 6.000 3.905 3.881 3.913 . 0 0 "[ . 1]" 1
293 1 26 U H1' 1 26 U H4' 4.000 . 6.000 3.162 3.105 3.211 . 0 0 "[ . 1]" 1
294 1 25 G H1' 1 26 U H6 5.000 3.000 7.000 4.627 4.570 4.685 . 0 0 "[ . 1]" 1
295 1 25 G H2' 1 26 U H6 3.000 . 4.000 1.909 1.884 1.929 0.116 8 0 "[ . 1]" 1
296 1 25 G H8 1 26 U H6 5.000 3.000 7.000 4.968 4.858 5.236 . 0 0 "[ . 1]" 1
297 1 26 U H1' 1 26 U H6 4.000 . 6.000 3.537 3.520 3.546 . 0 0 "[ . 1]" 1
298 1 26 U H2' 1 26 U H6 4.000 . 6.000 3.761 3.721 3.866 . 0 0 "[ . 1]" 1
299 1 26 U H3' 1 26 U H6 3.000 . 4.000 3.209 3.112 3.311 . 0 0 "[ . 1]" 1
300 1 26 U H4' 1 26 U H6 4.000 . 6.000 4.302 4.262 4.348 . 0 0 "[ . 1]" 1
301 1 26 U H5 1 26 U H6 3.000 . 4.000 2.402 2.396 2.407 . 0 0 "[ . 1]" 1
302 1 26 U H6 1 27 C H6 5.000 3.000 7.000 5.011 4.751 5.088 . 0 0 "[ . 1]" 1
303 1 27 C H1' 1 27 C H2' 3.000 . 4.000 2.863 2.856 2.881 . 0 0 "[ . 1]" 1
304 1 27 C H1' 1 27 C H3' 4.000 . 6.000 3.900 3.897 3.905 . 0 0 "[ . 1]" 1
305 1 27 C H1' 1 27 C H4' 4.000 . 6.000 3.161 3.105 3.187 . 0 0 "[ . 1]" 1
306 1 27 C H1' 1 27 C H5'' 4.000 . 6.000 5.103 5.071 5.116 . 0 0 "[ . 1]" 1
307 1 26 U H1' 1 27 C H6 5.000 3.000 7.000 4.687 4.670 4.700 . 0 0 "[ . 1]" 1
308 1 26 U H2' 1 27 C H6 3.000 . 4.000 1.952 1.938 1.989 0.062 8 0 "[ . 1]" 1
309 1 26 U H3' 1 27 C H6 4.000 . 6.000 3.498 3.292 3.548 . 0 0 "[ . 1]" 1
310 1 26 U H5 1 27 C H6 5.000 3.000 7.000 5.929 5.656 6.019 . 0 0 "[ . 1]" 1
311 1 27 C H1' 1 27 C H6 4.000 . 6.000 3.624 3.616 3.630 . 0 0 "[ . 1]" 1
312 1 27 C H2' 1 27 C H6 4.000 . 6.000 3.531 3.498 3.549 . 0 0 "[ . 1]" 1
313 1 27 C H3' 1 27 C H6 3.000 . 4.000 2.892 2.860 2.990 . 0 0 "[ . 1]" 1
314 1 27 C H5'' 1 27 C H6 4.000 . 6.000 4.382 4.333 4.474 . 0 0 "[ . 1]" 1
315 1 27 C H5 1 27 C H6 3.000 . 4.000 2.440 2.439 2.441 . 0 0 "[ . 1]" 1
316 1 28 C H1' 1 28 C H2' 3.000 . 4.000 2.848 2.841 2.857 . 0 0 "[ . 1]" 1
317 1 28 C H1' 1 28 C H3' 4.000 . 6.000 3.882 3.880 3.888 . 0 0 "[ . 1]" 1
318 1 27 C H1' 1 28 C H5 5.000 3.000 7.000 5.350 5.317 5.381 . 0 0 "[ . 1]" 1
319 1 27 C H5 1 28 C H5 5.000 3.000 7.000 3.931 3.864 4.028 . 0 0 "[ . 1]" 1
320 1 27 C H1' 1 28 C H6 5.000 3.000 7.000 4.627 4.615 4.644 . 0 0 "[ . 1]" 1
321 1 27 C H2' 1 28 C H6 3.000 . 4.000 1.954 1.946 1.963 0.054 8 0 "[ . 1]" 1
322 1 27 C H3' 1 28 C H6 4.000 . 6.000 3.673 3.653 3.701 . 0 0 "[ . 1]" 1
323 1 27 C H5 1 28 C H6 5.000 3.000 7.000 5.729 5.675 5.814 . 0 0 "[ . 1]" 1
324 1 27 C H6 1 28 C H6 5.000 3.000 7.000 4.928 4.880 4.987 . 0 0 "[ . 1]" 1
325 1 28 C H1' 1 28 C H6 4.000 . 6.000 3.626 3.623 3.632 . 0 0 "[ . 1]" 1
326 1 28 C H2' 1 28 C H6 4.000 . 6.000 3.601 3.571 3.622 . 0 0 "[ . 1]" 1
327 1 28 C H3' 1 28 C H6 3.000 . 4.000 2.760 2.719 2.796 . 0 0 "[ . 1]" 1
328 1 28 C H5' 1 28 C H6 4.000 . 6.000 3.799 3.750 3.844 . 0 0 "[ . 1]" 1
329 1 28 C H5 1 28 C H6 3.000 . 4.000 2.441 2.439 2.442 . 0 0 "[ . 1]" 1
330 1 3 A H2' 1 3 A H3' 3.000 . 4.000 2.361 2.357 2.366 . 0 0 "[ . 1]" 1
331 1 3 A H2' 1 4 C H1' 5.000 3.000 7.000 4.349 4.269 4.439 . 0 0 "[ . 1]" 1
332 1 3 A H2' 1 4 C H5 4.000 . 6.000 3.188 3.130 3.259 . 0 0 "[ . 1]" 1
333 1 3 A H1' 1 3 A H3' 4.000 . 6.000 3.893 3.879 3.899 . 0 0 "[ . 1]" 1
334 1 3 A H3' 1 4 C H5 4.000 . 6.000 3.861 3.755 3.954 . 0 0 "[ . 1]" 1
335 1 3 A H1' 1 3 A H4' 3.000 . 4.000 3.246 3.207 3.328 . 0 0 "[ . 1]" 1
336 1 3 A H1' 1 3 A H5'' 5.000 3.000 7.000 5.150 5.132 5.187 . 0 0 "[ . 1]" 1
337 1 3 A H1' 1 3 A H5' 5.000 3.000 7.000 4.587 4.566 4.611 . 0 0 "[ . 1]" 1
338 1 3 A H5' 1 3 A H8 4.000 . 6.000 4.172 4.004 4.209 . 0 0 "[ . 1]" 1
339 1 2 G H1' 1 3 A H8 5.000 3.000 7.000 5.310 5.153 5.443 . 0 0 "[ . 1]" 1
340 1 2 G H2' 1 3 A H8 3.000 . 4.000 2.510 2.358 2.634 . 0 0 "[ . 1]" 1
341 1 3 A H1' 1 3 A H8 4.000 . 6.000 3.851 3.848 3.855 . 0 0 "[ . 1]" 1
342 1 3 A H3' 1 3 A H8 3.000 . 4.000 2.600 2.524 2.671 . 0 0 "[ . 1]" 1
343 1 3 A H8 1 4 C H5 4.000 . 6.000 3.640 3.531 3.837 . 0 0 "[ . 1]" 1
344 1 3 A H8 1 4 C H6 5.000 3.000 7.000 4.585 4.530 4.765 . 0 0 "[ . 1]" 1
345 1 4 C H1' 1 4 C H5 5.000 3.000 7.000 5.376 5.373 5.381 . 0 0 "[ . 1]" 1
346 1 4 C H1' 1 5 G H1' 5.000 3.000 7.000 5.662 5.589 5.915 . 0 0 "[ . 1]" 1
347 1 4 C H1' 1 4 C H2' 3.000 . 4.000 2.809 2.779 2.818 . 0 0 "[ . 1]" 1
348 1 4 C H2' 1 4 C H5 5.000 3.000 7.000 5.068 5.035 5.184 . 0 0 "[ . 1]" 1
349 1 4 C H1' 1 4 C H3' 4.000 . 6.000 3.861 3.835 3.865 . 0 0 "[ . 1]" 1
350 1 4 C H3' 1 4 C H5 5.000 3.000 7.000 4.514 4.378 4.551 . 0 0 "[ . 1]" 1
351 1 3 A H1' 1 4 C H5 5.000 3.000 7.000 5.460 5.400 5.524 . 0 0 "[ . 1]" 1
352 1 3 A H1' 1 4 C H6 5.000 3.000 7.000 4.703 4.669 4.740 . 0 0 "[ . 1]" 1
353 1 3 A H2' 1 4 C H6 3.000 . 4.000 1.988 1.975 2.033 0.025 1 0 "[ . 1]" 1
354 1 3 A H3' 1 4 C H6 3.000 . 4.000 3.539 3.486 3.615 . 0 0 "[ . 1]" 1
355 1 4 C H1' 1 4 C H6 4.000 . 6.000 3.633 3.630 3.639 . 0 0 "[ . 1]" 1
356 1 4 C H2' 1 4 C H6 4.000 . 6.000 3.591 3.557 3.674 . 0 0 "[ . 1]" 1
357 1 4 C H3' 1 4 C H6 3.000 . 5.000 2.582 2.470 2.616 . 0 0 "[ . 1]" 1
358 1 5 G H1' 1 6 U H5 5.000 3.000 7.000 4.697 4.219 4.862 . 0 0 "[ . 1]" 1
359 1 5 G H1' 1 5 G H2' 3.000 . 4.000 2.797 2.766 2.805 . 0 0 "[ . 1]" 1
360 1 5 G H2' 1 6 U H5 4.000 . 6.000 3.145 2.930 3.251 . 0 0 "[ . 1]" 1
361 1 5 G H1' 1 5 G H3' 4.000 . 6.000 3.830 3.783 3.841 . 0 0 "[ . 1]" 1
362 1 5 G H3' 1 6 U H5 4.000 . 6.000 4.985 4.910 5.071 . 0 0 "[ . 1]" 1
363 1 5 G H1' 1 5 G H5'' 5.000 3.000 7.000 5.203 5.196 5.237 . 0 0 "[ . 1]" 1
364 1 5 G H1' 1 5 G H5' 5.000 3.000 7.000 4.618 4.606 4.657 . 0 0 "[ . 1]" 1
365 1 4 C H1' 1 5 G H8 5.000 3.000 7.000 4.598 4.571 4.695 . 0 0 "[ . 1]" 1
366 1 4 C H2' 1 5 G H8 3.000 . 4.000 1.940 1.928 1.991 0.072 7 0 "[ . 1]" 1
367 1 4 C H3' 1 5 G H8 3.000 . 4.000 3.595 3.454 3.653 . 0 0 "[ . 1]" 1
368 1 5 G H1' 1 5 G H8 4.000 . 6.000 3.752 3.748 3.756 . 0 0 "[ . 1]" 1
369 1 5 G H2' 1 5 G H8 4.000 . 6.000 3.909 3.888 3.977 . 0 0 "[ . 1]" 1
370 1 5 G H3' 1 5 G H8 3.000 . 4.000 2.801 2.657 2.842 . 0 0 "[ . 1]" 1
371 1 5 G H5' 1 5 G H8 4.000 . 6.000 3.729 3.559 3.778 . 0 0 "[ . 1]" 1
372 1 5 G H8 1 6 U H5 4.000 . 6.000 5.443 5.338 5.607 . 0 0 "[ . 1]" 1
373 1 6 U H1' 1 6 U H5 5.000 3.000 7.000 5.213 5.186 5.231 . 0 0 "[ . 1]" 1
374 1 6 U H1' 1 7 U H5 5.000 3.000 7.000 6.131 5.831 6.210 . 0 0 "[ . 1]" 1
375 1 6 U H1' 1 6 U H2' 3.000 . 4.000 2.873 2.859 2.883 . 0 0 "[ . 1]" 1
376 1 6 U H2' 1 7 U H5 4.000 . 6.000 4.032 3.744 4.109 . 0 0 "[ . 1]" 1
377 1 6 U H1' 1 6 U H3' 4.000 . 6.000 3.874 3.868 3.886 . 0 0 "[ . 1]" 1
378 1 6 U H3' 1 6 U H5 4.000 . 6.000 5.132 5.049 5.268 . 0 0 "[ . 1]" 1
379 1 6 U H3' 1 7 U H5 4.000 . 6.000 4.551 4.052 4.697 . 0 0 "[ . 1]" 1
380 1 6 U H1' 1 6 U H4' 4.000 . 6.000 3.064 3.036 3.118 . 0 0 "[ . 1]" 1
381 1 6 U H1' 1 6 U H5' 4.000 . 6.000 4.489 4.473 4.516 . 0 0 "[ . 1]" 1
382 1 6 U H5 1 7 U H1' 5.000 3.000 7.000 7.214 7.179 7.231 0.231 3 0 "[ . 1]" 1
383 1 5 G H1' 1 6 U H6 5.000 3.000 7.000 4.278 3.977 4.385 . 0 0 "[ . 1]" 1
384 1 5 G H2' 1 6 U H6 3.000 . 5.000 2.027 1.934 2.086 . 0 0 "[ . 1]" 1
385 1 5 G H3' 1 6 U H6 3.000 . 4.000 4.169 4.147 4.201 0.201 5 0 "[ . 1]" 1
386 1 6 U H1' 1 6 U H6 4.000 . 6.000 3.526 3.467 3.551 . 0 0 "[ . 1]" 1
387 1 6 U H2' 1 6 U H6 4.000 . 6.000 3.784 3.729 3.906 . 0 0 "[ . 1]" 1
388 1 6 U H3' 1 6 U H6 4.000 . 6.000 3.205 3.121 3.371 . 0 0 "[ . 1]" 1
389 1 6 U H5' 1 6 U H6 4.000 . 6.000 3.991 3.904 4.026 . 0 0 "[ . 1]" 1
390 1 6 U H5 1 6 U H6 3.000 . 4.000 2.383 2.377 2.396 . 0 0 "[ . 1]" 1
391 1 7 U H1' 1 7 U H5 5.000 3.000 7.000 5.338 5.317 5.348 . 0 0 "[ . 1]" 1
392 1 7 U H1' 1 7 U H2' 3.000 . 4.000 2.880 2.843 2.901 . 0 0 "[ . 1]" 1
393 1 7 U H2' 1 7 U H5' 5.000 3.000 7.000 5.364 5.353 5.395 . 0 0 "[ . 1]" 1
394 1 7 U H2' 1 7 U H5 5.000 3.000 7.000 5.042 4.939 5.256 . 0 0 "[ . 1]" 1
395 1 7 U H1' 1 7 U H3' 4.000 . 6.000 3.875 3.865 3.886 . 0 0 "[ . 1]" 1
396 1 7 U H2' 1 7 U H3' 4.000 . 6.000 2.350 2.334 2.399 . 0 0 "[ . 1]" 1
397 1 7 U H3' 1 7 U H5 5.000 3.000 7.000 4.905 4.830 4.946 . 0 0 "[ . 1]" 1
398 1 7 U H3' 1 8 A H1' 4.000 . 6.000 6.348 6.208 6.402 0.402 9 0 "[ . 1]" 1
399 1 7 U H1' 1 7 U H5'' 5.000 3.000 7.000 5.061 5.022 5.133 . 0 0 "[ . 1]" 1
400 1 7 U H2' 1 7 U H5'' 5.000 3.000 7.000 4.932 4.915 4.968 . 0 0 "[ . 1]" 1
401 1 6 U H1' 1 7 U H5' 5.000 3.000 7.000 4.700 4.689 4.719 . 0 0 "[ . 1]" 1
402 1 7 U H1' 1 7 U H5' 5.000 3.000 7.000 4.522 4.487 4.588 . 0 0 "[ . 1]" 1
403 1 6 U H5 1 7 U H5 5.000 3.000 7.000 4.253 4.108 4.492 . 0 0 "[ . 1]" 1
404 1 6 U H1' 1 7 U H6 5.000 3.000 7.000 4.969 4.740 5.055 . 0 0 "[ . 1]" 1
405 1 6 U H2' 1 7 U H6 3.000 . 4.000 2.293 2.036 2.389 . 0 0 "[ . 1]" 1
406 1 6 U H3' 1 7 U H6 4.000 . 6.000 3.608 3.336 3.706 . 0 0 "[ . 1]" 1
407 1 7 U H1' 1 7 U H6 5.000 3.000 7.000 3.618 3.601 3.634 . 0 0 "[ . 1]" 1
408 1 7 U H2' 1 7 U H6 5.000 3.000 7.000 3.551 3.441 3.751 . 0 0 "[ . 1]" 1
409 1 7 U H3' 1 7 U H6 5.000 3.000 7.000 2.906 2.882 2.933 0.118 5 0 "[ . 1]" 1
410 1 7 U H5'' 1 7 U H6 5.000 3.000 7.000 4.491 4.281 4.600 . 0 0 "[ . 1]" 1
411 1 7 U H5' 1 7 U H6 5.000 3.000 7.000 4.236 4.002 4.351 . 0 0 "[ . 1]" 1
412 1 7 U H5 1 7 U H6 3.000 . 4.000 2.400 2.397 2.403 . 0 0 "[ . 1]" 1
413 1 7 U H6 1 8 A H8 5.000 3.000 7.000 4.977 4.578 5.156 . 0 0 "[ . 1]" 1
414 1 8 A H1' 1 8 A H2 5.000 3.000 7.000 4.538 4.518 4.587 . 0 0 "[ . 1]" 1
415 1 8 A H1' 1 8 A H2' 3.000 . 4.000 2.908 2.889 2.916 . 0 0 "[ . 1]" 1
416 1 8 A H2' 1 8 A H3' 4.000 . 6.000 2.362 2.353 2.381 . 0 0 "[ . 1]" 1
417 1 8 A H2' 1 9 A H1' 5.000 3.000 7.000 4.747 4.686 4.862 . 0 0 "[ . 1]" 1
418 1 8 A H1' 1 8 A H3' 4.000 . 6.000 3.856 3.851 3.868 . 0 0 "[ . 1]" 1
419 1 8 A H1' 1 8 A H5'' 5.000 3.000 7.000 4.858 4.828 4.906 . 0 0 "[ . 1]" 1
420 1 7 U H1' 1 8 A H5' 5.000 3.000 7.000 5.569 5.283 5.900 . 0 0 "[ . 1]" 1
421 1 8 A H1' 1 8 A H5' 5.000 3.000 7.000 4.294 4.267 4.347 . 0 0 "[ . 1]" 1
422 1 7 U H1' 1 8 A H8 5.000 3.000 7.000 5.389 5.295 5.476 . 0 0 "[ . 1]" 1
423 1 7 U H2' 1 8 A H8 5.000 3.000 7.000 2.734 2.693 2.809 0.307 7 0 "[ . 1]" 1
424 1 7 U H3' 1 8 A H8 5.000 3.000 7.000 4.015 3.619 4.204 . 0 0 "[ . 1]" 1
425 1 8 A H1' 1 8 A H8 5.000 3.000 7.000 3.846 3.834 3.853 . 0 0 "[ . 1]" 1
426 1 8 A H2' 1 8 A H8 5.000 3.000 7.000 3.357 3.335 3.377 . 0 0 "[ . 1]" 1
427 1 8 A H3' 1 8 A H8 4.000 . 6.000 3.229 3.017 3.312 . 0 0 "[ . 1]" 1
428 1 8 A H5' 1 8 A H8 5.000 3.000 7.000 4.838 4.728 4.883 . 0 0 "[ . 1]" 1
429 1 8 A H8 1 9 A H8 5.000 3.000 7.000 5.023 4.864 5.388 . 0 0 "[ . 1]" 1
430 1 8 A H2 1 9 A H1' 5.000 3.000 7.000 5.308 5.186 5.819 . 0 0 "[ . 1]" 1
431 1 9 A H2' 1 10 A H1' 4.000 . 6.000 5.567 5.270 6.066 0.066 5 0 "[ . 1]" 1
432 1 9 A H1' 1 9 A H2' 5.000 3.000 7.000 2.923 2.883 2.939 0.117 1 0 "[ . 1]" 1
433 1 9 A H2' 1 9 A H4' 4.000 . 6.000 3.764 3.739 3.775 . 0 0 "[ . 1]" 1
434 1 8 A H3' 1 9 A H3' 5.000 3.000 7.000 5.805 5.712 6.075 . 0 0 "[ . 1]" 1
435 1 9 A H1' 1 9 A H3' 5.000 3.000 7.000 3.908 3.882 3.922 . 0 0 "[ . 1]" 1
436 1 8 A H3' 1 9 A H4' 5.000 3.000 7.000 6.358 6.306 6.429 . 0 0 "[ . 1]" 1
437 1 9 A H1' 1 9 A H4' 5.000 3.000 7.000 3.019 2.974 3.087 0.026 6 0 "[ . 1]" 1
438 1 8 A H1' 1 9 A H8 5.000 3.000 7.000 5.376 5.258 5.487 . 0 0 "[ . 1]" 1
439 1 8 A H2' 1 9 A H8 4.000 . 6.000 2.695 2.626 2.786 . 0 0 "[ . 1]" 1
440 1 8 A H3' 1 9 A H8 4.000 . 6.000 4.352 4.286 4.473 . 0 0 "[ . 1]" 1
441 1 9 A H1' 1 9 A H8 3.000 . 5.000 3.808 3.779 3.822 . 0 0 "[ . 1]" 1
442 1 9 A H2' 1 9 A H8 5.000 3.000 7.000 3.524 3.434 3.697 . 0 0 "[ . 1]" 1
443 1 9 A H3' 1 9 A H8 5.000 3.000 7.000 3.056 2.970 3.156 0.030 1 0 "[ . 1]" 1
444 1 9 A H4' 1 9 A H8 5.000 3.000 7.000 4.608 4.551 4.652 . 0 0 "[ . 1]" 1
stop_
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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 50
_Distance_constraint_stats_list.Viol_count 54
_Distance_constraint_stats_list.Viol_total 13.583
_Distance_constraint_stats_list.Viol_max 0.094
_Distance_constraint_stats_list.Viol_rms 0.0114
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0027
_Distance_constraint_stats_list.Viol_average_violations_only 0.0252
_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 G 0.000 0.000 . 0 "[ . 1]"
1 2 G 0.052 0.017 6 0 "[ . 1]"
1 3 A 0.064 0.012 7 0 "[ . 1]"
1 4 C 0.188 0.031 5 0 "[ . 1]"
1 5 G 0.000 0.000 . 0 "[ . 1]"
1 12 G 0.737 0.094 9 0 "[ . 1]"
1 13 G 0.000 0.000 . 0 "[ . 1]"
1 14 C 0.288 0.069 1 0 "[ . 1]"
1 15 U 0.030 0.014 7 0 "[ . 1]"
1 18 G 0.030 0.014 7 0 "[ . 1]"
1 19 G 0.288 0.069 1 0 "[ . 1]"
1 20 C 0.000 0.000 . 0 "[ . 1]"
1 21 C 0.737 0.094 9 0 "[ . 1]"
1 24 C 0.000 0.000 . 0 "[ . 1]"
1 25 G 0.188 0.031 5 0 "[ . 1]"
1 26 U 0.064 0.012 7 0 "[ . 1]"
1 27 C 0.052 0.017 6 0 "[ . 1]"
1 28 C 0.000 0.000 . 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 G O6 1 28 C H41 2.000 . 2.200 2.136 2.120 2.167 . 0 0 "[ . 1]" 2
2 1 1 G O6 1 28 C N4 2.900 2.600 3.200 3.115 3.096 3.146 . 0 0 "[ . 1]" 2
3 1 1 G H1 1 28 C N3 2.000 . 2.200 2.070 2.051 2.091 . 0 0 "[ . 1]" 2
4 1 1 G N1 1 28 C N3 2.900 2.600 3.200 3.060 3.041 3.079 . 0 0 "[ . 1]" 2
5 1 1 G H21 1 28 C O2 2.000 . 2.200 1.839 1.809 1.863 . 0 0 "[ . 1]" 2
6 1 1 G N2 1 28 C O2 2.900 2.600 3.200 2.841 2.808 2.867 . 0 0 "[ . 1]" 2
7 1 2 G O6 1 27 C H41 2.000 . 2.200 2.159 2.144 2.175 . 0 0 "[ . 1]" 2
8 1 2 G O6 1 27 C N4 2.900 2.600 3.200 3.142 3.127 3.160 . 0 0 "[ . 1]" 2
9 1 2 G H1 1 27 C N3 2.000 . 2.200 2.058 2.042 2.069 . 0 0 "[ . 1]" 2
10 1 2 G N1 1 27 C N3 2.900 2.600 3.200 3.050 3.034 3.062 . 0 0 "[ . 1]" 2
11 1 2 G H21 1 27 C O2 2.000 . 2.200 1.801 1.783 1.819 0.017 6 0 "[ . 1]" 2
12 1 2 G N2 1 27 C O2 2.900 2.600 3.200 2.802 2.785 2.821 . 0 0 "[ . 1]" 2
13 1 3 A H61 1 26 U O4 2.000 . 2.200 2.196 2.143 2.212 0.012 7 0 "[ . 1]" 2
14 1 3 A N6 1 26 U O4 2.900 2.600 3.200 3.185 3.126 3.204 0.004 6 0 "[ . 1]" 2
15 1 3 A N1 1 26 U H3 2.000 . 2.200 2.042 2.014 2.069 . 0 0 "[ . 1]" 2
16 1 3 A N1 1 26 U N3 2.900 2.600 3.200 3.051 3.023 3.077 . 0 0 "[ . 1]" 2
17 1 4 C H41 1 25 G O6 2.000 . 2.200 2.152 2.134 2.196 . 0 0 "[ . 1]" 2
18 1 4 C N4 1 25 G O6 2.900 2.600 3.200 3.133 3.112 3.177 . 0 0 "[ . 1]" 2
19 1 4 C N3 1 25 G H1 2.000 . 2.200 2.038 2.019 2.059 . 0 0 "[ . 1]" 2
20 1 4 C N3 1 25 G N1 2.900 2.600 3.200 3.034 3.017 3.056 . 0 0 "[ . 1]" 2
21 1 4 C O2 1 25 G H21 2.000 . 2.200 1.781 1.769 1.793 0.031 5 0 "[ . 1]" 2
22 1 4 C O2 1 25 G N2 2.900 2.600 3.200 2.785 2.774 2.797 . 0 0 "[ . 1]" 2
23 1 5 G O6 1 24 C H41 2.000 . 2.200 2.116 2.091 2.143 . 0 0 "[ . 1]" 2
24 1 5 G O6 1 24 C N4 2.900 2.600 3.200 3.080 3.056 3.111 . 0 0 "[ . 1]" 2
25 1 5 G H1 1 24 C N3 2.000 . 2.200 2.089 2.068 2.117 . 0 0 "[ . 1]" 2
26 1 5 G N1 1 24 C N3 2.900 2.600 3.200 3.025 2.984 3.048 . 0 0 "[ . 1]" 2
27 1 5 G H21 1 24 C O2 2.000 . 2.200 1.877 1.809 2.062 . 0 0 "[ . 1]" 2
28 1 5 G N2 1 24 C O2 2.900 2.600 3.200 2.827 2.754 2.939 . 0 0 "[ . 1]" 2
29 1 12 G O6 1 21 C H41 2.000 . 2.200 2.252 2.168 2.294 0.094 9 0 "[ . 1]" 2
30 1 12 G O6 1 21 C N4 2.900 2.600 3.200 3.196 3.164 3.236 0.036 3 0 "[ . 1]" 2
31 1 12 G H1 1 21 C N3 2.000 . 2.200 2.144 2.062 2.250 0.050 1 0 "[ . 1]" 2
32 1 12 G N1 1 21 C N3 2.900 2.600 3.200 3.101 3.056 3.205 0.005 1 0 "[ . 1]" 2
33 1 12 G H21 1 21 C O2 2.000 . 2.200 1.987 1.781 2.167 0.019 8 0 "[ . 1]" 2
34 1 12 G N2 1 21 C O2 2.900 2.600 3.200 2.844 2.768 3.008 . 0 0 "[ . 1]" 2
35 1 13 G O6 1 20 C H41 2.000 . 2.200 2.112 2.101 2.126 . 0 0 "[ . 1]" 2
36 1 13 G O6 1 20 C N4 2.900 2.600 3.200 3.093 3.076 3.116 . 0 0 "[ . 1]" 2
37 1 13 G H1 1 20 C N3 2.000 . 2.200 2.096 2.041 2.159 . 0 0 "[ . 1]" 2
38 1 13 G N1 1 20 C N3 2.900 2.600 3.200 3.082 3.031 3.138 . 0 0 "[ . 1]" 2
39 1 13 G H21 1 20 C O2 2.000 . 2.200 1.917 1.829 2.036 . 0 0 "[ . 1]" 2
40 1 13 G N2 1 20 C O2 2.900 2.600 3.200 2.916 2.829 3.029 . 0 0 "[ . 1]" 2
41 1 14 C H41 1 19 G O6 2.000 . 2.200 2.156 2.083 2.186 . 0 0 "[ . 1]" 2
42 1 14 C N4 1 19 G O6 2.900 2.600 3.200 3.133 3.067 3.169 . 0 0 "[ . 1]" 2
43 1 14 C N3 1 19 G H1 2.000 . 2.200 2.046 2.003 2.137 . 0 0 "[ . 1]" 2
44 1 14 C N3 1 19 G N1 2.900 2.600 3.200 3.042 2.997 3.123 . 0 0 "[ . 1]" 2
45 1 14 C O2 1 19 G H21 2.000 . 2.200 1.799 1.731 2.059 0.069 1 0 "[ . 1]" 2
46 1 14 C O2 1 19 G N2 2.900 2.600 3.200 2.801 2.732 3.059 . 0 0 "[ . 1]" 2
47 1 15 U O2' 1 18 G O6 2.900 2.600 3.200 3.015 2.960 3.067 . 0 0 "[ . 1]" 2
48 1 15 U HO2' 1 18 G O6 2.000 . 2.200 2.070 2.015 2.122 . 0 0 "[ . 1]" 2
49 1 15 U O2 1 18 G N1 2.900 2.600 3.200 2.799 2.620 2.864 . 0 0 "[ . 1]" 2
50 1 15 U O2 1 18 G H1 2.000 . 2.200 1.824 1.786 1.876 0.014 7 0 "[ . 1]" 2
stop_
save_
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