NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
378722 |
1hlx   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1hlx
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 471
_Distance_constraint_stats_list.Viol_count 379
_Distance_constraint_stats_list.Viol_total 204.753
_Distance_constraint_stats_list.Viol_max 0.151
_Distance_constraint_stats_list.Viol_rms 0.0072
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0270
_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 0.557 0.131 17 0 "[ . 1 . 2]"
1 2 G 0.854 0.131 17 0 "[ . 1 . 2]"
1 3 G 0.686 0.050 7 0 "[ . 1 . 2]"
1 4 A 0.718 0.050 7 0 "[ . 1 . 2]"
1 5 U 0.599 0.075 7 0 "[ . 1 . 2]"
1 6 A 0.744 0.039 15 0 "[ . 1 . 2]"
1 7 A 0.178 0.027 13 0 "[ . 1 . 2]"
1 8 C 0.163 0.027 13 0 "[ . 1 . 2]"
1 9 U 0.240 0.032 4 0 "[ . 1 . 2]"
1 10 U 0.130 0.034 3 0 "[ . 1 . 2]"
1 11 C 2.037 0.098 4 0 "[ . 1 . 2]"
1 12 G 2.357 0.088 1 0 "[ . 1 . 2]"
1 13 G 0.509 0.043 4 0 "[ . 1 . 2]"
1 14 U 0.588 0.040 1 0 "[ . 1 . 2]"
1 15 U 2.064 0.151 11 0 "[ . 1 . 2]"
1 16 G 1.905 0.151 11 0 "[ . 1 . 2]"
1 17 U 0.496 0.052 20 0 "[ . 1 . 2]"
1 18 C 0.361 0.035 9 0 "[ . 1 . 2]"
1 19 C 0.334 0.033 1 0 "[ . 1 . 2]"
1 20 C 0.575 0.062 15 0 "[ . 1 . 2]"
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 H8 3.500 . 4.000 3.646 3.485 3.827 . 0 0 "[ . 1 . 2]" 1
2 1 1 G H4' 1 1 G H8 3.500 . 5.000 4.254 4.115 4.410 . 0 0 "[ . 1 . 2]" 1
3 1 1 G H5' 1 1 G H8 3.500 . 5.000 3.248 2.963 3.655 . 0 0 "[ . 1 . 2]" 1
4 1 1 G H5'' 1 1 G H8 3.500 . 5.000 4.069 3.742 4.382 . 0 0 "[ . 1 . 2]" 1
5 1 1 G H2' 1 1 G H8 3.500 . 5.000 4.164 3.690 4.431 . 0 0 "[ . 1 . 2]" 1
6 1 1 G H3' 1 1 G H8 3.500 . 4.000 3.341 2.613 3.868 . 0 0 "[ . 1 . 2]" 1
7 1 1 G H1' 1 1 G H2' 2.400 . 3.000 2.709 2.692 2.738 . 0 0 "[ . 1 . 2]" 1
8 1 1 G H1' 1 1 G H3' 3.500 . 5.000 3.863 3.735 3.900 . 0 0 "[ . 1 . 2]" 1
9 1 1 G H1' 1 1 G H4' 3.500 . 5.000 3.594 3.508 3.658 . 0 0 "[ . 1 . 2]" 1
10 1 1 G H2' 1 1 G H3' 2.400 . 3.000 2.368 2.358 2.407 . 0 0 "[ . 1 . 2]" 1
11 1 1 G H2' 1 1 G H4' 3.500 . 5.000 3.911 3.817 3.936 . 0 0 "[ . 1 . 2]" 1
12 1 1 G H2' 1 1 G H5' 3.500 . 6.000 5.247 5.179 5.369 . 0 0 "[ . 1 . 2]" 1
13 1 1 G H2' 1 1 G H5'' 3.500 . 5.000 4.920 4.844 4.992 . 0 0 "[ . 1 . 2]" 1
14 1 1 G H3' 1 1 G H4' 3.500 . 5.000 3.017 3.007 3.039 . 0 0 "[ . 1 . 2]" 1
15 1 1 G H3' 1 1 G H5' 3.500 . 5.000 3.607 3.568 3.656 . 0 0 "[ . 1 . 2]" 1
16 1 1 G H3' 1 1 G H5'' 3.500 . 5.000 2.854 2.738 2.947 . 0 0 "[ . 1 . 2]" 1
17 1 1 G H4' 1 1 G H5' 2.400 . 3.000 2.516 2.442 2.578 . 0 0 "[ . 1 . 2]" 1
18 1 1 G H4' 1 1 G H5'' 2.400 . 3.000 2.422 2.367 2.498 . 0 0 "[ . 1 . 2]" 1
19 1 1 G H8 1 2 G H8 3.500 . 6.000 5.142 4.377 6.040 0.040 13 0 "[ . 1 . 2]" 1
20 1 1 G H1' 1 2 G H8 3.500 . 5.000 4.698 4.445 4.872 . 0 0 "[ . 1 . 2]" 1
21 1 1 G H2' 1 2 G H8 2.400 . 3.000 2.103 1.976 2.526 . 0 0 "[ . 1 . 2]" 1
22 1 1 G H3' 1 2 G H8 3.500 . 4.000 2.513 2.224 3.108 . 0 0 "[ . 1 . 2]" 1
23 1 1 G H4' 1 2 G H8 3.500 . 5.000 4.903 4.271 5.030 0.030 6 0 "[ . 1 . 2]" 1
24 1 1 G H2' 1 2 G H1' 3.500 . 5.000 4.105 3.536 4.787 . 0 0 "[ . 1 . 2]" 1
25 1 1 G H2' 1 2 G H5' 3.500 . 5.000 3.259 2.647 5.029 0.029 17 0 "[ . 1 . 2]" 1
26 1 1 G H2' 1 2 G H5'' 3.500 . 5.000 4.701 4.165 5.131 0.131 17 0 "[ . 1 . 2]" 1
27 1 2 G H1' 1 2 G H8 3.500 . 5.000 3.680 3.581 3.830 . 0 0 "[ . 1 . 2]" 1
28 1 2 G H2' 1 2 G H8 3.500 . 5.000 4.084 3.517 4.306 . 0 0 "[ . 1 . 2]" 1
29 1 2 G H3' 1 2 G H8 3.500 . 4.000 3.260 2.661 3.611 . 0 0 "[ . 1 . 2]" 1
30 1 2 G H4' 1 2 G H8 3.500 . 5.000 4.305 4.152 4.413 . 0 0 "[ . 1 . 2]" 1
31 1 2 G H5' 1 2 G H8 3.500 . 5.000 3.408 2.809 4.525 . 0 0 "[ . 1 . 2]" 1
32 1 2 G H5'' 1 2 G H8 3.500 . 5.000 4.172 3.921 4.393 . 0 0 "[ . 1 . 2]" 1
33 1 2 G H1' 1 2 G H2' 2.400 . 3.000 2.727 2.705 2.783 . 0 0 "[ . 1 . 2]" 1
34 1 2 G H1' 1 2 G H3' 3.500 . 5.000 3.862 3.848 3.878 . 0 0 "[ . 1 . 2]" 1
35 1 2 G H1' 1 2 G H4' 3.500 . 5.000 3.504 3.221 3.608 . 0 0 "[ . 1 . 2]" 1
36 1 2 G H2' 1 2 G H3' 3.500 . 5.000 2.367 2.351 2.374 . 0 0 "[ . 1 . 2]" 1
37 1 2 G H2' 1 2 G H5'' 3.500 . 5.000 4.925 4.605 5.122 0.122 13 0 "[ . 1 . 2]" 1
38 1 2 G H3' 1 2 G H4' 3.500 . 5.000 3.028 3.016 3.047 . 0 0 "[ . 1 . 2]" 1
39 1 2 G H3' 1 2 G H5' 3.500 . 4.000 3.602 3.440 3.677 . 0 0 "[ . 1 . 2]" 1
40 1 2 G H3' 1 2 G H5'' 3.500 . 5.000 2.882 2.449 3.196 . 0 0 "[ . 1 . 2]" 1
41 1 2 G H1' 1 3 G H8 3.500 . 5.000 4.800 4.592 4.932 . 0 0 "[ . 1 . 2]" 1
42 1 2 G H2' 1 3 G H8 2.400 . 3.000 2.131 1.967 2.232 . 0 0 "[ . 1 . 2]" 1
43 1 2 G H3' 1 3 G H8 2.400 . 3.000 2.847 2.556 3.017 0.017 12 0 "[ . 1 . 2]" 1
44 1 3 G H1' 1 3 G H8 3.500 . 5.000 3.774 3.717 3.832 . 0 0 "[ . 1 . 2]" 1
45 1 3 G H3' 1 3 G H8 3.500 . 4.000 2.966 2.625 3.225 . 0 0 "[ . 1 . 2]" 1
46 1 3 G H4' 1 3 G H8 3.500 . 5.000 4.368 4.268 4.540 . 0 0 "[ . 1 . 2]" 1
47 1 3 G H5'' 1 3 G H8 3.500 . 5.000 4.277 3.999 4.717 . 0 0 "[ . 1 . 2]" 1
48 1 3 G H5' 1 3 G H8 3.500 . 5.000 3.807 3.520 4.210 . 0 0 "[ . 1 . 2]" 1
49 1 3 G H1' 1 3 G H2' 2.400 . 3.000 2.755 2.728 2.808 . 0 0 "[ . 1 . 2]" 1
50 1 3 G H1' 1 3 G H3' 3.500 . 5.000 3.860 3.844 3.878 . 0 0 "[ . 1 . 2]" 1
51 1 3 G H1' 1 3 G H4' 3.500 . 4.000 3.343 3.123 3.450 . 0 0 "[ . 1 . 2]" 1
52 1 3 G H1' 1 3 G H5' 3.500 . 6.000 4.734 4.678 4.827 . 0 0 "[ . 1 . 2]" 1
53 1 3 G H1' 1 3 G H5'' 3.500 . 6.000 5.219 5.139 5.253 . 0 0 "[ . 1 . 2]" 1
54 1 3 G H2' 1 3 G H3' 3.500 . 4.000 2.373 2.364 2.380 . 0 0 "[ . 1 . 2]" 1
55 1 3 G H2' 1 3 G H4' 3.500 . 5.000 3.828 3.788 3.851 . 0 0 "[ . 1 . 2]" 1
56 1 3 G H8 1 4 A H8 3.500 . 5.000 4.742 4.287 5.013 0.013 5 0 "[ . 1 . 2]" 1
57 1 3 G H1' 1 4 A H8 3.500 . 5.000 4.739 4.618 4.873 . 0 0 "[ . 1 . 2]" 1
58 1 3 G H2' 1 4 A H8 3.500 . 5.000 2.088 1.971 2.230 . 0 0 "[ . 1 . 2]" 1
59 1 3 G H3' 1 4 A H8 3.500 . 5.000 3.209 2.974 3.460 . 0 0 "[ . 1 . 2]" 1
60 1 3 G H1' 1 4 A H5'' 3.500 . 6.000 6.031 6.021 6.050 0.050 7 0 "[ . 1 . 2]" 1
61 1 4 A H1' 1 4 A H8 3.500 . 4.000 3.820 3.775 3.849 . 0 0 "[ . 1 . 2]" 1
62 1 4 A H2' 1 4 A H8 3.500 . 5.000 3.629 3.527 3.824 . 0 0 "[ . 1 . 2]" 1
63 1 4 A H4' 1 4 A H8 3.500 . 5.000 4.400 4.302 4.478 . 0 0 "[ . 1 . 2]" 1
64 1 4 A H1' 1 4 A H2 3.500 . 6.000 4.612 4.563 4.693 . 0 0 "[ . 1 . 2]" 1
65 1 4 A H3' 1 4 A H8 2.400 . 3.000 2.811 2.588 3.005 0.005 7 0 "[ . 1 . 2]" 1
66 1 4 A H5'' 1 4 A H8 3.500 . 5.000 4.382 4.126 4.539 . 0 0 "[ . 1 . 2]" 1
67 1 4 A H5' 1 4 A H8 3.500 . 5.000 3.858 3.708 4.107 . 0 0 "[ . 1 . 2]" 1
68 1 4 A H1' 1 4 A H2' 2.400 . 3.000 2.774 2.750 2.804 . 0 0 "[ . 1 . 2]" 1
69 1 4 A H1' 1 4 A H3' 3.500 . 5.000 3.871 3.859 3.893 . 0 0 "[ . 1 . 2]" 1
70 1 4 A H1' 1 4 A H4' 3.500 . 5.000 3.289 3.188 3.392 . 0 0 "[ . 1 . 2]" 1
71 1 4 A H1' 1 4 A H5'' 3.500 . 6.000 5.204 5.165 5.237 . 0 0 "[ . 1 . 2]" 1
72 1 4 A H2' 1 4 A H3' 3.500 . 4.000 2.367 2.356 2.376 . 0 0 "[ . 1 . 2]" 1
73 1 4 A H2' 1 4 A H4' 3.500 . 5.000 3.822 3.802 3.845 . 0 0 "[ . 1 . 2]" 1
74 1 4 A H3' 1 4 A H5'' 3.500 . 5.000 2.971 2.888 3.062 . 0 0 "[ . 1 . 2]" 1
75 1 4 A H4' 1 4 A H5'' 3.500 . 4.000 2.419 2.377 2.457 . 0 0 "[ . 1 . 2]" 1
76 1 4 A H8 1 5 U H6 3.500 . 5.000 4.899 4.449 5.020 0.020 4 0 "[ . 1 . 2]" 1
77 1 4 A H1' 1 5 U H6 3.500 . 5.000 4.926 4.765 5.008 0.008 19 0 "[ . 1 . 2]" 1
78 1 4 A H2' 1 5 U H6 2.400 . 3.000 2.178 2.055 2.256 . 0 0 "[ . 1 . 2]" 1
79 1 4 A H3' 1 5 U H6 3.500 . 4.000 3.262 2.952 3.455 . 0 0 "[ . 1 . 2]" 1
80 1 4 A H2' 1 5 U H5 3.500 . 5.000 3.593 3.312 3.948 . 0 0 "[ . 1 . 2]" 1
81 1 4 A H3' 1 5 U H5 3.500 . 5.000 3.583 3.065 4.008 . 0 0 "[ . 1 . 2]" 1
82 1 4 A H2' 1 5 U H1' 3.500 . 5.000 3.824 3.584 4.118 . 0 0 "[ . 1 . 2]" 1
83 1 4 A H8 1 5 U H5 3.500 . 5.000 4.260 3.349 4.944 . 0 0 "[ . 1 . 2]" 1
84 1 4 A H2 1 5 U H1' 3.500 . 5.000 3.988 2.980 4.724 . 0 0 "[ . 1 . 2]" 1
85 1 5 U H1' 1 5 U H6 3.500 . 5.000 3.649 3.595 3.678 . 0 0 "[ . 1 . 2]" 1
86 1 5 U H2' 1 5 U H6 3.500 . 4.000 3.554 3.435 3.689 . 0 0 "[ . 1 . 2]" 1
87 1 5 U H3' 1 5 U H6 2.400 . 3.000 2.612 2.404 2.941 . 0 0 "[ . 1 . 2]" 1
88 1 5 U H4' 1 5 U H6 3.500 . 5.000 4.035 3.961 4.109 . 0 0 "[ . 1 . 2]" 1
89 1 5 U H5' 1 5 U H6 3.500 . 6.000 3.650 3.450 3.825 . 0 0 "[ . 1 . 2]" 1
90 1 5 U H5'' 1 5 U H6 3.500 . 6.000 3.855 3.683 3.975 . 0 0 "[ . 1 . 2]" 1
91 1 5 U H2' 1 5 U H5 3.500 . 5.000 5.022 4.958 5.075 0.075 7 0 "[ . 1 . 2]" 1
92 1 5 U H3' 1 5 U H5 3.500 . 5.000 4.516 4.367 4.737 . 0 0 "[ . 1 . 2]" 1
93 1 5 U H1' 1 5 U H2' 2.400 . 3.000 2.764 2.747 2.781 . 0 0 "[ . 1 . 2]" 1
94 1 5 U H1' 1 5 U H3' 3.500 . 4.000 3.874 3.853 3.892 . 0 0 "[ . 1 . 2]" 1
95 1 5 U H1' 1 5 U H4' 3.500 . 4.000 3.336 3.285 3.403 . 0 0 "[ . 1 . 2]" 1
96 1 5 U H2' 1 5 U H3' 2.400 . 3.000 2.363 2.351 2.372 . 0 0 "[ . 1 . 2]" 1
97 1 5 U H2' 1 5 U H4' 3.500 . 5.000 3.837 3.818 3.862 . 0 0 "[ . 1 . 2]" 1
98 1 5 U H3' 1 5 U H5'' 3.500 . 5.000 2.761 2.634 2.929 . 0 0 "[ . 1 . 2]" 1
99 1 5 U H4' 1 5 U H5'' 2.400 . 3.000 2.511 2.433 2.580 . 0 0 "[ . 1 . 2]" 1
100 1 5 U H6 1 6 A H8 3.500 . 6.500 4.775 4.408 5.392 . 0 0 "[ . 1 . 2]" 1
101 1 5 U H1' 1 6 A H8 3.500 . 5.000 4.657 4.543 4.838 . 0 0 "[ . 1 . 2]" 1
102 1 5 U H2' 1 6 A H8 2.400 . 3.000 2.036 1.990 2.123 . 0 0 "[ . 1 . 2]" 1
103 1 5 U H3' 1 6 A H8 3.500 . 4.000 3.443 3.229 3.667 . 0 0 "[ . 1 . 2]" 1
104 1 5 U H2' 1 6 A H1' 3.500 . 5.000 4.086 3.696 4.475 . 0 0 "[ . 1 . 2]" 1
105 1 5 U H2' 1 6 A H3' 3.500 . 5.000 4.353 4.100 4.601 . 0 0 "[ . 1 . 2]" 1
106 1 6 A H1' 1 6 A H8 3.500 . 5.000 3.808 3.750 3.852 . 0 0 "[ . 1 . 2]" 1
107 1 6 A H2' 1 6 A H8 3.500 . 5.000 3.620 3.425 3.819 . 0 0 "[ . 1 . 2]" 1
108 1 6 A H3' 1 6 A H8 3.500 . 4.000 2.980 2.558 3.429 . 0 0 "[ . 1 . 2]" 1
109 1 6 A H5' 1 6 A H8 3.500 . 5.000 4.259 3.841 4.559 . 0 0 "[ . 1 . 2]" 1
110 1 6 A H5'' 1 6 A H8 3.500 . 5.000 4.300 3.946 4.672 . 0 0 "[ . 1 . 2]" 1
111 1 6 A H1' 1 6 A H2' 2.400 . 3.000 2.797 2.741 2.852 . 0 0 "[ . 1 . 2]" 1
112 1 6 A H1' 1 6 A H3' 3.500 . 4.000 3.888 3.857 3.921 . 0 0 "[ . 1 . 2]" 1
113 1 6 A H1' 1 6 A H4' 3.500 . 5.000 3.224 3.047 3.415 . 0 0 "[ . 1 . 2]" 1
114 1 6 A H1' 1 6 A H5' 3.500 . 6.000 4.790 4.692 4.902 . 0 0 "[ . 1 . 2]" 1
115 1 6 A H1' 1 6 A H5'' 3.500 . 6.000 5.155 5.085 5.235 . 0 0 "[ . 1 . 2]" 1
116 1 6 A H2' 1 6 A H3' 3.500 . 4.000 2.356 2.335 2.372 . 0 0 "[ . 1 . 2]" 1
117 1 6 A H2' 1 6 A H4' 3.500 . 5.000 3.827 3.808 3.842 . 0 0 "[ . 1 . 2]" 1
118 1 6 A H2' 1 6 A H5'' 3.500 . 5.000 4.754 4.576 4.890 . 0 0 "[ . 1 . 2]" 1
119 1 6 A H2 1 6 A H2' 3.500 . 6.000 5.135 4.826 5.411 . 0 0 "[ . 1 . 2]" 1
120 1 6 A H3' 1 6 A H4' 2.400 . 3.000 3.036 3.033 3.039 0.039 15 0 "[ . 1 . 2]" 1
121 1 6 A H3' 1 6 A H5' 3.500 . 5.000 3.675 3.655 3.691 . 0 0 "[ . 1 . 2]" 1
122 1 6 A H3' 1 6 A H5'' 3.500 . 4.000 2.664 2.409 2.852 . 0 0 "[ . 1 . 2]" 1
123 1 6 A H1' 1 7 A H8 3.500 . 5.000 4.701 4.580 4.811 . 0 0 "[ . 1 . 2]" 1
124 1 6 A H2' 1 7 A H8 2.400 . 3.000 2.085 1.998 2.189 . 0 0 "[ . 1 . 2]" 1
125 1 6 A H3' 1 7 A H8 3.500 . 4.000 3.602 3.346 3.803 . 0 0 "[ . 1 . 2]" 1
126 1 6 A H8 1 7 A H8 3.500 . 6.000 5.176 4.571 5.796 . 0 0 "[ . 1 . 2]" 1
127 1 6 A H2 1 7 A H8 3.500 . 6.000 5.668 5.296 6.015 0.015 19 0 "[ . 1 . 2]" 1
128 1 6 A H2 1 7 A H2 3.500 . 6.000 3.956 3.547 4.306 . 0 0 "[ . 1 . 2]" 1
129 1 6 A H2 1 7 A H1' 3.500 . 5.000 4.287 3.725 4.984 . 0 0 "[ . 1 . 2]" 1
130 1 7 A H1' 1 7 A H8 3.500 . 5.000 3.830 3.806 3.854 . 0 0 "[ . 1 . 2]" 1
131 1 7 A H2' 1 7 A H8 3.500 . 5.000 3.601 3.487 3.689 . 0 0 "[ . 1 . 2]" 1
132 1 7 A H3' 1 7 A H8 3.500 . 4.000 2.704 2.500 2.959 . 0 0 "[ . 1 . 2]" 1
133 1 7 A H4' 1 7 A H8 3.500 . 5.000 4.331 4.215 4.428 . 0 0 "[ . 1 . 2]" 1
134 1 7 A H5'' 1 7 A H8 3.500 . 5.000 4.095 3.864 4.273 . 0 0 "[ . 1 . 2]" 1
135 1 7 A H1' 1 7 A H2 3.500 . 6.000 4.601 4.562 4.635 . 0 0 "[ . 1 . 2]" 1
136 1 7 A H1' 1 7 A H2' 2.400 . 3.000 2.759 2.736 2.786 . 0 0 "[ . 1 . 2]" 1
137 1 7 A H1' 1 7 A H3' 3.500 . 4.000 3.873 3.865 3.888 . 0 0 "[ . 1 . 2]" 1
138 1 7 A H1' 1 7 A H4' 3.500 . 5.000 3.362 3.263 3.486 . 0 0 "[ . 1 . 2]" 1
139 1 7 A H1' 1 7 A H5' 3.500 . 6.000 4.772 4.708 4.831 . 0 0 "[ . 1 . 2]" 1
140 1 7 A H1' 1 7 A H5'' 3.500 . 6.000 5.219 5.170 5.253 . 0 0 "[ . 1 . 2]" 1
141 1 7 A H2' 1 7 A H5'' 3.500 . 5.000 4.849 4.728 4.954 . 0 0 "[ . 1 . 2]" 1
142 1 7 A H3' 1 7 A H5'' 3.500 . 4.000 2.789 2.618 2.935 . 0 0 "[ . 1 . 2]" 1
143 1 7 A H8 1 8 C H6 3.500 . 6.500 4.925 4.752 5.098 . 0 0 "[ . 1 . 2]" 1
144 1 7 A H1' 1 8 C H6 3.500 . 5.000 4.987 4.830 5.023 0.023 7 0 "[ . 1 . 2]" 1
145 1 7 A H2' 1 8 C H6 2.400 . 3.000 2.273 2.136 2.312 . 0 0 "[ . 1 . 2]" 1
146 1 7 A H3' 1 8 C H6 3.500 . 4.000 3.425 3.155 3.660 . 0 0 "[ . 1 . 2]" 1
147 1 7 A H2' 1 8 C H5 3.500 . 5.000 3.532 3.316 3.698 . 0 0 "[ . 1 . 2]" 1
148 1 7 A H3' 1 8 C H5 3.500 . 5.000 3.679 3.377 3.963 . 0 0 "[ . 1 . 2]" 1
149 1 7 A H8 1 8 C H5 3.500 . 5.000 4.071 3.920 4.249 . 0 0 "[ . 1 . 2]" 1
150 1 7 A H2 1 8 C H1' 3.500 . 5.000 4.079 3.752 4.511 . 0 0 "[ . 1 . 2]" 1
151 1 7 A H2' 1 8 C H1' 3.500 . 4.000 3.823 3.588 4.027 0.027 13 0 "[ . 1 . 2]" 1
152 1 7 A H2' 1 8 C H5'' 3.500 . 5.000 4.500 4.383 4.603 . 0 0 "[ . 1 . 2]" 1
153 1 8 C H1' 1 8 C H6 3.500 . 5.000 3.704 3.683 3.721 . 0 0 "[ . 1 . 2]" 1
154 1 8 C H2' 1 8 C H6 3.500 . 5.000 3.227 3.128 3.324 . 0 0 "[ . 1 . 2]" 1
155 1 8 C H3' 1 8 C H6 2.400 . 3.000 2.479 2.148 2.728 . 0 0 "[ . 1 . 2]" 1
156 1 8 C H4' 1 8 C H6 3.500 . 6.500 4.116 4.040 4.210 . 0 0 "[ . 1 . 2]" 1
157 1 8 C H5' 1 8 C H6 3.500 . 5.000 3.838 3.683 3.966 . 0 0 "[ . 1 . 2]" 1
158 1 8 C H5'' 1 8 C H6 3.500 . 5.000 3.962 3.829 4.238 . 0 0 "[ . 1 . 2]" 1
159 1 8 C H3' 1 8 C H5 3.500 . 5.000 4.606 4.304 4.846 . 0 0 "[ . 1 . 2]" 1
160 1 8 C H1' 1 8 C H2' 2.400 . 3.000 2.799 2.767 2.834 . 0 0 "[ . 1 . 2]" 1
161 1 8 C H1' 1 8 C H3' 3.500 . 4.000 3.910 3.878 3.922 . 0 0 "[ . 1 . 2]" 1
162 1 8 C H1' 1 8 C H4' 3.500 . 4.000 3.272 3.137 3.349 . 0 0 "[ . 1 . 2]" 1
163 1 8 C H1' 1 8 C H5' 3.500 . 6.000 4.740 4.688 4.798 . 0 0 "[ . 1 . 2]" 1
164 1 8 C H2' 1 8 C H3' 2.400 . 3.000 2.350 2.345 2.364 . 0 0 "[ . 1 . 2]" 1
165 1 8 C H3' 1 8 C H4' 3.500 . 4.000 3.033 3.028 3.038 . 0 0 "[ . 1 . 2]" 1
166 1 8 C H3' 1 8 C H5' 3.500 . 5.000 3.654 3.632 3.673 . 0 0 "[ . 1 . 2]" 1
167 1 8 C H3' 1 8 C H5'' 3.500 . 5.000 2.760 2.630 2.899 . 0 0 "[ . 1 . 2]" 1
168 1 8 C H4' 1 8 C H5' 3.500 . 4.000 2.443 2.394 2.499 . 0 0 "[ . 1 . 2]" 1
169 1 8 C H4' 1 8 C H5'' 3.500 . 4.000 2.497 2.439 2.551 . 0 0 "[ . 1 . 2]" 1
170 1 8 C H6 1 9 U H6 3.500 . 6.500 4.346 4.139 4.598 . 0 0 "[ . 1 . 2]" 1
171 1 8 C H1' 1 9 U H6 3.500 . 6.500 5.147 4.919 5.423 . 0 0 "[ . 1 . 2]" 1
172 1 8 C H2' 1 9 U H6 2.400 . 3.000 2.368 2.146 2.623 . 0 0 "[ . 1 . 2]" 1
173 1 8 C H3' 1 9 U H6 3.500 . 4.000 3.145 2.922 3.278 . 0 0 "[ . 1 . 2]" 1
174 1 8 C H2' 1 9 U H5 3.500 . 5.000 3.373 3.070 3.772 . 0 0 "[ . 1 . 2]" 1
175 1 8 C H3' 1 9 U H5 3.500 . 5.000 3.220 3.052 3.372 . 0 0 "[ . 1 . 2]" 1
176 1 8 C H6 1 9 U H5 3.500 . 5.000 3.135 2.981 3.439 . 0 0 "[ . 1 . 2]" 1
177 1 8 C H5 1 9 U H5 3.500 . 5.000 3.249 2.939 3.719 . 0 0 "[ . 1 . 2]" 1
178 1 8 C H2' 1 9 U H5' 3.500 . 5.000 3.242 2.922 3.749 . 0 0 "[ . 1 . 2]" 1
179 1 8 C H2' 1 9 U H5'' 3.500 . 5.000 4.540 4.308 5.011 0.011 14 0 "[ . 1 . 2]" 1
180 1 9 U H1' 1 9 U H6 3.500 . 4.000 3.700 3.682 3.720 . 0 0 "[ . 1 . 2]" 1
181 1 9 U H2' 1 9 U H6 3.500 . 4.000 3.218 3.040 3.350 . 0 0 "[ . 1 . 2]" 1
182 1 9 U H3' 1 9 U H6 3.500 . 4.000 2.443 2.320 2.579 . 0 0 "[ . 1 . 2]" 1
183 1 9 U H4' 1 9 U H6 3.500 . 5.000 4.097 4.027 4.160 . 0 0 "[ . 1 . 2]" 1
184 1 9 U H5' 1 9 U H6 3.500 . 6.000 3.634 3.467 3.779 . 0 0 "[ . 1 . 2]" 1
185 1 9 U H5'' 1 9 U H6 3.500 . 6.000 4.065 3.904 4.195 . 0 0 "[ . 1 . 2]" 1
186 1 9 U H3' 1 9 U H5 3.500 . 5.000 4.537 4.412 4.660 . 0 0 "[ . 1 . 2]" 1
187 1 9 U H1' 1 9 U H2' 2.400 . 3.000 2.794 2.772 2.813 . 0 0 "[ . 1 . 2]" 1
188 1 9 U H1' 1 9 U H3' 3.500 . 4.000 3.906 3.889 3.921 . 0 0 "[ . 1 . 2]" 1
189 1 9 U H1' 1 9 U H4' 3.500 . 4.000 3.280 3.223 3.338 . 0 0 "[ . 1 . 2]" 1
190 1 9 U H1' 1 9 U H5' 3.500 . 6.000 4.663 4.640 4.708 . 0 0 "[ . 1 . 2]" 1
191 1 9 U H1' 1 9 U H5'' 3.500 . 6.000 5.192 5.170 5.217 . 0 0 "[ . 1 . 2]" 1
192 1 9 U H2' 1 9 U H3' 2.400 . 3.000 2.347 2.342 2.356 . 0 0 "[ . 1 . 2]" 1
193 1 9 U H2' 1 9 U H4' 3.500 . 5.000 3.860 3.844 3.871 . 0 0 "[ . 1 . 2]" 1
194 1 9 U H3' 1 9 U H5' 3.500 . 5.000 3.609 3.591 3.640 . 0 0 "[ . 1 . 2]" 1
195 1 9 U H3' 1 9 U H5'' 3.500 . 5.000 2.941 2.839 2.993 . 0 0 "[ . 1 . 2]" 1
196 1 9 U H4' 1 9 U H5' 3.500 . 4.000 2.532 2.480 2.555 . 0 0 "[ . 1 . 2]" 1
197 1 9 U H4' 1 9 U H5'' 3.500 . 4.000 2.413 2.392 2.459 . 0 0 "[ . 1 . 2]" 1
198 1 9 U H2' 1 10 U H6 3.500 . 5.000 4.610 4.151 5.000 . 16 0 "[ . 1 . 2]" 1
199 1 9 U H4' 1 10 U H6 3.500 . 5.000 3.149 2.953 3.384 . 0 0 "[ . 1 . 2]" 1
200 1 9 U H3' 1 10 U H5 3.500 . 5.000 4.728 4.582 4.965 . 0 0 "[ . 1 . 2]" 1
201 1 9 U H4' 1 10 U H5 3.500 . 4.000 2.478 2.054 2.968 . 0 0 "[ . 1 . 2]" 1
202 1 9 U H5' 1 10 U H5 3.500 . 5.000 3.960 3.574 4.288 . 0 0 "[ . 1 . 2]" 1
203 1 9 U H5'' 1 10 U H5 3.500 . 5.000 3.137 2.558 3.805 . 0 0 "[ . 1 . 2]" 1
204 1 9 U H2' 1 10 U H2' 3.500 . 5.000 4.076 3.880 4.301 . 0 0 "[ . 1 . 2]" 1
205 1 10 U H1' 1 10 U H6 3.500 . 4.000 3.667 3.635 3.724 . 0 0 "[ . 1 . 2]" 1
206 1 10 U H2' 1 10 U H6 2.400 . 3.000 2.886 2.490 3.034 0.034 3 0 "[ . 1 . 2]" 1
207 1 10 U H3' 1 10 U H6 3.500 . 5.000 4.456 4.231 4.584 . 0 0 "[ . 1 . 2]" 1
208 1 10 U H4' 1 10 U H6 3.500 . 5.000 4.419 4.353 4.533 . 0 0 "[ . 1 . 2]" 1
209 1 10 U H5' 1 10 U H6 3.500 . 5.000 3.880 3.660 4.085 . 0 0 "[ . 1 . 2]" 1
210 1 10 U H5'' 1 10 U H6 3.500 . 5.000 4.684 4.577 4.765 . 0 0 "[ . 1 . 2]" 1
211 1 10 U H2' 1 10 U H5 3.500 . 5.000 4.687 4.459 4.784 . 0 0 "[ . 1 . 2]" 1
212 1 10 U H1' 1 10 U H2' 3.500 . 4.000 3.032 3.026 3.036 . 0 0 "[ . 1 . 2]" 1
213 1 10 U H1' 1 10 U H3' 3.500 . 4.000 3.832 3.810 3.858 . 0 0 "[ . 1 . 2]" 1
214 1 10 U H1' 1 10 U H4' 3.500 . 4.000 3.062 3.014 3.121 . 0 0 "[ . 1 . 2]" 1
215 1 10 U H1' 1 10 U H5'' 3.500 . 6.000 4.922 4.890 4.947 . 0 0 "[ . 1 . 2]" 1
216 1 10 U H1' 1 10 U H5' 3.500 . 6.000 4.677 4.632 4.723 . 0 0 "[ . 1 . 2]" 1
217 1 10 U H2' 1 10 U H3' 2.400 . 3.000 2.367 2.357 2.379 . 0 0 "[ . 1 . 2]" 1
218 1 10 U H2' 1 10 U H5' 3.500 . 6.000 4.374 4.233 4.473 . 0 0 "[ . 1 . 2]" 1
219 1 10 U H2' 1 10 U H5'' 3.500 . 6.000 4.037 3.916 4.151 . 0 0 "[ . 1 . 2]" 1
220 1 10 U H3' 1 10 U H4' 3.500 . 4.000 2.851 2.829 2.861 . 0 0 "[ . 1 . 2]" 1
221 1 10 U H4' 1 10 U H5' 2.400 . 3.000 2.443 2.378 2.488 . 0 0 "[ . 1 . 2]" 1
222 1 10 U H4' 1 10 U H5'' 2.400 . 3.000 2.488 2.440 2.564 . 0 0 "[ . 1 . 2]" 1
223 1 9 U H2' 1 11 C H6 3.500 . 6.000 3.958 3.738 4.095 . 0 0 "[ . 1 . 2]" 1
224 1 9 U H1' 1 11 C H5 3.500 . 6.000 5.524 5.141 5.699 . 0 0 "[ . 1 . 2]" 1
225 1 9 U H2' 1 11 C H5 2.400 . 3.000 2.958 2.554 3.032 0.032 4 0 "[ . 1 . 2]" 1
226 1 9 U H3' 1 11 C H5 3.500 . 5.000 4.287 4.049 4.471 . 0 0 "[ . 1 . 2]" 1
227 1 10 U H2' 1 11 C H6 3.500 . 5.000 3.917 3.676 4.191 . 0 0 "[ . 1 . 2]" 1
228 1 10 U H3' 1 11 C H6 2.400 . 3.000 2.148 1.996 2.279 . 0 0 "[ . 1 . 2]" 1
229 1 10 U H4' 1 11 C H6 3.500 . 5.000 4.588 4.452 4.749 . 0 0 "[ . 1 . 2]" 1
230 1 10 U H5' 1 11 C H6 3.500 . 5.000 4.596 4.301 4.932 . 0 0 "[ . 1 . 2]" 1
231 1 10 U H5'' 1 11 C H6 3.500 . 6.000 2.980 2.639 3.370 . 0 0 "[ . 1 . 2]" 1
232 1 10 U H2' 1 11 C H5 3.500 . 5.000 4.653 4.291 4.848 . 0 0 "[ . 1 . 2]" 1
233 1 10 U H3' 1 11 C H5 3.500 . 4.000 3.495 3.088 3.732 . 0 0 "[ . 1 . 2]" 1
234 1 10 U H4' 1 11 C H5 3.500 . 6.000 5.004 4.797 5.296 . 0 0 "[ . 1 . 2]" 1
235 1 10 U H5' 1 11 C H5 3.500 . 4.000 3.733 3.428 4.013 0.013 12 0 "[ . 1 . 2]" 1
236 1 10 U H5'' 1 11 C H5 3.500 . 4.000 2.655 2.387 3.014 . 0 0 "[ . 1 . 2]" 1
237 1 10 U H3' 1 11 C H5' 3.500 . 5.000 2.791 2.546 2.955 . 0 0 "[ . 1 . 2]" 1
238 1 11 C H1' 1 11 C H6 3.500 . 4.000 3.728 3.717 3.736 . 0 0 "[ . 1 . 2]" 1
239 1 11 C H2' 1 11 C H6 2.400 . 3.000 2.295 2.211 2.335 . 0 0 "[ . 1 . 2]" 1
240 1 11 C H3' 1 11 C H6 3.500 . 4.000 4.048 4.020 4.098 0.098 4 0 "[ . 1 . 2]" 1
241 1 11 C H4' 1 11 C H6 3.500 . 5.000 4.535 4.451 4.606 . 0 0 "[ . 1 . 2]" 1
242 1 11 C H5' 1 11 C H6 3.500 . 5.000 3.725 3.486 3.858 . 0 0 "[ . 1 . 2]" 1
243 1 11 C H5'' 1 11 C H6 3.500 . 5.000 4.618 4.419 4.736 . 0 0 "[ . 1 . 2]" 1
244 1 11 C H2' 1 11 C H5 3.500 . 5.000 4.338 4.290 4.364 . 0 0 "[ . 1 . 2]" 1
245 1 11 C H1' 1 11 C H2' 3.500 . 4.000 3.025 3.023 3.029 . 0 0 "[ . 1 . 2]" 1
246 1 11 C H1' 1 11 C H3' 3.500 . 4.000 3.857 3.841 3.867 . 0 0 "[ . 1 . 2]" 1
247 1 11 C H1' 1 11 C H4' 3.500 . 4.000 3.160 3.088 3.272 . 0 0 "[ . 1 . 2]" 1
248 1 11 C H1' 1 11 C H5' 3.500 . 6.000 4.609 4.592 4.633 . 0 0 "[ . 1 . 2]" 1
249 1 11 C H1' 1 11 C H5'' 3.500 . 6.000 4.993 4.968 5.026 . 0 0 "[ . 1 . 2]" 1
250 1 11 C H2' 1 11 C H3' 2.400 . 3.000 2.361 2.350 2.379 . 0 0 "[ . 1 . 2]" 1
251 1 11 C H2' 1 11 C H4' 3.500 . 5.000 3.893 3.861 3.910 . 0 0 "[ . 1 . 2]" 1
252 1 11 C H2' 1 11 C H5' 3.500 . 5.000 4.174 4.011 4.266 . 0 0 "[ . 1 . 2]" 1
253 1 11 C H2' 1 11 C H5'' 3.500 . 5.000 4.185 4.025 4.292 . 0 0 "[ . 1 . 2]" 1
254 1 11 C H3' 1 11 C H4' 2.400 . 3.000 2.834 2.794 2.860 . 0 0 "[ . 1 . 2]" 1
255 1 11 C H3' 1 11 C H5' 3.500 . 4.000 3.599 3.583 3.624 . 0 0 "[ . 1 . 2]" 1
256 1 11 C H3' 1 11 C H5'' 3.500 . 4.000 2.641 2.601 2.692 . 0 0 "[ . 1 . 2]" 1
257 1 11 C H4' 1 11 C H5' 2.400 . 3.000 2.557 2.538 2.590 . 0 0 "[ . 1 . 2]" 1
258 1 11 C H4' 1 11 C H5'' 2.400 . 3.000 2.382 2.356 2.398 . 0 0 "[ . 1 . 2]" 1
259 1 11 C H4' 1 12 G H8 3.500 . 5.000 5.002 4.927 5.035 0.035 6 0 "[ . 1 . 2]" 1
260 1 11 C H5' 1 12 G H8 3.500 . 5.000 4.337 4.173 4.561 . 0 0 "[ . 1 . 2]" 1
261 1 11 C H5'' 1 12 G H8 3.500 . 5.000 4.969 4.808 5.021 0.021 14 0 "[ . 1 . 2]" 1
262 1 11 C H4' 1 12 G H1' 3.500 . 5.000 4.162 4.033 4.357 . 0 0 "[ . 1 . 2]" 1
263 1 11 C H5' 1 12 G H1' 3.500 . 7.000 4.715 4.357 5.165 . 0 0 "[ . 1 . 2]" 1
264 1 11 C H5'' 1 12 G H1' 3.500 . 7.000 4.515 4.141 5.108 . 0 0 "[ . 1 . 2]" 1
265 1 11 C H4' 1 12 G H3' 3.500 . 5.000 3.448 2.304 3.972 . 0 0 "[ . 1 . 2]" 1
266 1 11 C H4' 1 12 G H4' 3.500 . 4.000 4.025 3.956 4.088 0.088 1 0 "[ . 1 . 2]" 1
267 1 11 C H4' 1 12 G H5' 3.500 . 5.000 3.454 2.145 4.070 . 0 0 "[ . 1 . 2]" 1
268 1 11 C H4' 1 12 G H5'' 3.500 . 4.000 2.801 2.145 3.962 . 0 0 "[ . 1 . 2]" 1
269 1 12 G H1' 1 12 G H8 2.400 . 3.000 2.586 2.560 2.639 . 0 0 "[ . 1 . 2]" 1
270 1 12 G H2' 1 12 G H8 3.500 . 5.000 4.059 3.801 4.476 . 0 0 "[ . 1 . 2]" 1
271 1 12 G H4' 1 12 G H8 3.500 . 6.000 5.381 5.071 5.503 . 0 0 "[ . 1 . 2]" 1
272 1 12 G H1' 1 12 G H2' 2.400 . 3.000 2.894 2.859 2.956 . 0 0 "[ . 1 . 2]" 1
273 1 12 G H1' 1 12 G H3' 3.500 . 5.000 3.930 3.899 3.944 . 0 0 "[ . 1 . 2]" 1
274 1 12 G H1' 1 12 G H4' 3.500 . 4.000 2.941 2.752 3.012 . 0 0 "[ . 1 . 2]" 1
275 1 12 G H1' 1 12 G H5' 3.500 . 5.000 4.878 4.438 5.059 0.059 13 0 "[ . 1 . 2]" 1
276 1 12 G H1' 1 12 G H5'' 3.500 . 5.000 4.632 4.570 4.761 . 0 0 "[ . 1 . 2]" 1
277 1 12 G H2' 1 12 G H3' 2.400 . 3.000 2.327 2.309 2.344 . 0 0 "[ . 1 . 2]" 1
278 1 12 G H2' 1 12 G H4' 3.500 . 5.000 3.845 3.796 3.872 . 0 0 "[ . 1 . 2]" 1
279 1 12 G H2' 1 12 G H5' 3.500 . 6.000 4.686 4.425 4.844 . 0 0 "[ . 1 . 2]" 1
280 1 12 G H2' 1 12 G H5'' 3.500 . 5.500 4.636 4.288 5.357 . 0 0 "[ . 1 . 2]" 1
281 1 12 G H3' 1 12 G H4' 2.400 . 3.000 3.030 3.020 3.040 0.040 8 0 "[ . 1 . 2]" 1
282 1 12 G H3' 1 12 G H5' 3.500 . 4.000 2.742 2.580 3.169 . 0 0 "[ . 1 . 2]" 1
283 1 12 G H3' 1 12 G H5'' 3.500 . 4.000 2.853 2.423 3.699 . 0 0 "[ . 1 . 2]" 1
284 1 12 G H4' 1 12 G H5' 2.400 . 3.000 2.668 2.488 3.000 . 0 0 "[ . 1 . 2]" 1
285 1 12 G H2' 1 13 G H8 3.500 . 5.000 4.337 3.832 4.963 . 0 0 "[ . 1 . 2]" 1
286 1 12 G H3' 1 13 G H8 3.500 . 4.000 3.808 3.239 4.043 0.043 4 0 "[ . 1 . 2]" 1
287 1 12 G H2' 1 13 G H1' 3.500 . 4.500 3.156 2.448 3.675 . 0 0 "[ . 1 . 2]" 1
288 1 12 G H3' 1 13 G H1' 3.500 . 5.000 4.561 4.266 4.971 . 0 0 "[ . 1 . 2]" 1
289 1 12 G H2' 1 13 G H3' 3.500 . 5.000 4.868 4.649 5.005 0.005 18 0 "[ . 1 . 2]" 1
290 1 12 G H2' 1 13 G H4' 3.500 . 4.000 2.704 2.310 3.368 . 0 0 "[ . 1 . 2]" 1
291 1 12 G H2' 1 13 G H5' 3.500 . 5.000 4.448 3.342 5.019 0.019 2 0 "[ . 1 . 2]" 1
292 1 12 G H2' 1 13 G H5'' 3.500 . 5.000 4.034 3.125 4.540 . 0 0 "[ . 1 . 2]" 1
293 1 12 G H3' 1 13 G H5' 3.500 . 6.000 4.391 3.915 5.591 . 0 0 "[ . 1 . 2]" 1
294 1 12 G H3' 1 13 G H5'' 3.500 . 6.000 3.568 2.367 4.841 . 0 0 "[ . 1 . 2]" 1
295 1 13 G H1' 1 13 G H8 3.500 . 4.000 3.735 3.718 3.767 . 0 0 "[ . 1 . 2]" 1
296 1 13 G H2' 1 13 G H8 3.500 . 5.000 3.999 3.906 4.047 . 0 0 "[ . 1 . 2]" 1
297 1 13 G H3' 1 13 G H8 3.500 . 4.000 3.039 2.877 3.131 . 0 0 "[ . 1 . 2]" 1
298 1 13 G H4' 1 13 G H8 3.500 . 5.000 4.180 4.056 4.238 . 0 0 "[ . 1 . 2]" 1
299 1 13 G H5' 1 13 G H8 3.500 . 4.000 3.659 3.196 3.959 . 0 0 "[ . 1 . 2]" 1
300 1 13 G H5'' 1 13 G H8 3.500 . 4.000 2.222 1.991 3.512 . 0 0 "[ . 1 . 2]" 1
301 1 13 G H2' 1 13 G H3' 2.400 . 3.000 2.369 2.363 2.373 . 0 0 "[ . 1 . 2]" 1
302 1 13 G H3' 1 13 G H4' 3.500 . 4.000 3.023 3.010 3.028 . 0 0 "[ . 1 . 2]" 1
303 1 13 G H4' 1 13 G H5' 3.500 . 4.000 2.556 2.273 2.821 . 0 0 "[ . 1 . 2]" 1
304 1 13 G H4' 1 13 G H5'' 3.500 . 4.000 2.994 2.741 3.047 . 0 0 "[ . 1 . 2]" 1
305 1 13 G H8 1 14 U H6 3.500 . 5.000 4.992 4.842 5.022 0.022 17 0 "[ . 1 . 2]" 1
306 1 13 G H1' 1 14 U H6 3.500 . 5.000 4.768 4.645 4.857 . 0 0 "[ . 1 . 2]" 1
307 1 13 G H2' 1 14 U H6 2.400 . 3.000 2.144 2.005 2.267 . 0 0 "[ . 1 . 2]" 1
308 1 13 G H3' 1 14 U H6 3.500 . 4.000 3.073 2.976 3.241 . 0 0 "[ . 1 . 2]" 1
309 1 13 G H4' 1 14 U H6 3.500 . 6.000 5.572 5.438 5.753 . 0 0 "[ . 1 . 2]" 1
310 1 13 G H8 1 14 U H5 3.500 . 5.000 4.290 4.116 4.478 . 0 0 "[ . 1 . 2]" 1
311 1 13 G H2' 1 14 U H5 3.500 . 5.000 3.725 3.600 3.886 . 0 0 "[ . 1 . 2]" 1
312 1 13 G H3' 1 14 U H5 3.500 . 5.000 3.533 3.319 3.821 . 0 0 "[ . 1 . 2]" 1
313 1 13 G H2' 1 14 U H1' 3.500 . 5.000 4.073 3.858 4.270 . 0 0 "[ . 1 . 2]" 1
314 1 14 U H1' 1 14 U H6 3.500 . 4.000 3.651 3.632 3.673 . 0 0 "[ . 1 . 2]" 1
315 1 14 U H2' 1 14 U H6 3.500 . 5.000 3.502 3.404 3.589 . 0 0 "[ . 1 . 2]" 1
316 1 14 U H3' 1 14 U H6 3.500 . 5.000 2.713 2.548 2.826 . 0 0 "[ . 1 . 2]" 1
317 1 14 U H5' 1 14 U H6 3.500 . 5.000 3.650 3.498 3.799 . 0 0 "[ . 1 . 2]" 1
318 1 14 U H5'' 1 14 U H6 3.500 . 5.000 4.173 4.052 4.276 . 0 0 "[ . 1 . 2]" 1
319 1 14 U H2' 1 14 U H5 3.500 . 5.000 4.974 4.907 5.040 0.040 1 0 "[ . 1 . 2]" 1
320 1 14 U H3' 1 14 U H5 3.500 . 5.000 4.665 4.534 4.783 . 0 0 "[ . 1 . 2]" 1
321 1 14 U H1' 1 14 U H2' 2.400 . 3.000 2.794 2.775 2.810 . 0 0 "[ . 1 . 2]" 1
322 1 14 U H1' 1 14 U H3' 3.500 . 4.000 3.886 3.877 3.901 . 0 0 "[ . 1 . 2]" 1
323 1 14 U H1' 1 14 U H4' 3.500 . 4.000 3.231 3.171 3.290 . 0 0 "[ . 1 . 2]" 1
324 1 14 U H1' 1 14 U H5' 3.500 . 6.000 4.678 4.644 4.714 . 0 0 "[ . 1 . 2]" 1
325 1 14 U H1' 1 14 U H5'' 3.500 . 6.000 5.180 5.155 5.204 . 0 0 "[ . 1 . 2]" 1
326 1 14 U H2' 1 14 U H3' 2.400 . 3.000 2.356 2.345 2.362 . 0 0 "[ . 1 . 2]" 1
327 1 14 U H4' 1 14 U H5' 3.500 . 4.000 2.505 2.462 2.563 . 0 0 "[ . 1 . 2]" 1
328 1 14 U H4' 1 14 U H5'' 3.500 . 4.000 2.434 2.383 2.476 . 0 0 "[ . 1 . 2]" 1
329 1 14 U H1' 1 15 U H6 3.500 . 5.000 4.664 4.388 5.017 0.017 14 0 "[ . 1 . 2]" 1
330 1 14 U H2' 1 15 U H6 2.400 . 3.000 2.157 1.991 2.395 . 0 0 "[ . 1 . 2]" 1
331 1 14 U H3' 1 15 U H6 3.500 . 5.000 3.598 3.325 3.821 . 0 0 "[ . 1 . 2]" 1
332 1 14 U H2' 1 15 U H5 3.500 . 5.000 2.714 2.390 3.267 . 0 0 "[ . 1 . 2]" 1
333 1 14 U H3' 1 15 U H5 3.500 . 5.000 3.571 3.350 3.809 . 0 0 "[ . 1 . 2]" 1
334 1 14 U H6 1 15 U H5 3.500 . 5.000 4.615 4.467 4.801 . 0 0 "[ . 1 . 2]" 1
335 1 14 U H5 1 15 U H5 3.500 . 5.000 5.014 4.972 5.036 0.036 13 0 "[ . 1 . 2]" 1
336 1 14 U H2' 1 15 U H1' 3.500 . 5.000 4.500 3.793 5.013 0.013 15 0 "[ . 1 . 2]" 1
337 1 14 U H2' 1 15 U H5'' 3.500 . 6.000 5.178 4.865 5.391 . 0 0 "[ . 1 . 2]" 1
338 1 15 U H1' 1 15 U H6 3.500 . 4.000 3.577 3.497 3.631 . 0 0 "[ . 1 . 2]" 1
339 1 15 U H2' 1 15 U H6 3.500 . 5.000 3.885 3.719 4.091 . 0 0 "[ . 1 . 2]" 1
340 1 15 U H3' 1 15 U H6 3.500 . 4.000 2.779 2.473 3.039 . 0 0 "[ . 1 . 2]" 1
341 1 15 U H4' 1 15 U H6 3.500 . 5.000 3.954 3.885 4.025 . 0 0 "[ . 1 . 2]" 1
342 1 15 U H5' 1 15 U H6 3.500 . 5.000 3.518 3.213 3.756 . 0 0 "[ . 1 . 2]" 1
343 1 15 U H5'' 1 15 U H6 3.500 . 5.000 3.648 3.479 3.783 . 0 0 "[ . 1 . 2]" 1
344 1 15 U H3' 1 15 U H5 3.500 . 5.000 4.506 4.258 4.666 . 0 0 "[ . 1 . 2]" 1
345 1 15 U H1' 1 15 U H2' 2.400 . 3.000 2.726 2.706 2.740 . 0 0 "[ . 1 . 2]" 1
346 1 15 U H1' 1 15 U H3' 3.500 . 5.000 3.825 3.802 3.863 . 0 0 "[ . 1 . 2]" 1
347 1 15 U H1' 1 15 U H4' 3.500 . 4.000 3.456 3.429 3.519 . 0 0 "[ . 1 . 2]" 1
348 1 15 U H1' 1 15 U H5'' 3.500 . 6.000 5.211 5.132 5.269 . 0 0 "[ . 1 . 2]" 1
349 1 15 U H2' 1 15 U H4' 3.500 . 5.000 3.826 3.807 3.855 . 0 0 "[ . 1 . 2]" 1
350 1 15 U H3' 1 15 U H4' 3.500 . 5.000 3.042 3.035 3.047 . 0 0 "[ . 1 . 2]" 1
351 1 15 U H3' 1 15 U H5' 3.500 . 4.000 3.674 3.630 3.692 . 0 0 "[ . 1 . 2]" 1
352 1 15 U H3' 1 15 U H5'' 3.500 . 4.000 2.658 2.393 2.960 . 0 0 "[ . 1 . 2]" 1
353 1 15 U H4' 1 15 U H5' 3.500 . 4.000 2.382 2.283 2.517 . 0 0 "[ . 1 . 2]" 1
354 1 15 U H4' 1 15 U H5'' 3.500 . 4.000 2.572 2.421 2.719 . 0 0 "[ . 1 . 2]" 1
355 1 15 U H2' 1 16 G H8 2.400 . 3.000 2.056 1.876 2.290 . 0 0 "[ . 1 . 2]" 1
356 1 15 U H3' 1 16 G H8 3.500 . 5.000 3.459 3.139 3.746 . 0 0 "[ . 1 . 2]" 1
357 1 15 U H2' 1 16 G H5'' 3.500 . 4.000 4.085 4.011 4.151 0.151 11 0 "[ . 1 . 2]" 1
358 1 16 G H1' 1 16 G H8 3.500 . 5.000 3.698 3.621 3.807 . 0 0 "[ . 1 . 2]" 1
359 1 16 G H3' 1 16 G H8 3.500 . 4.000 3.295 2.652 3.602 . 0 0 "[ . 1 . 2]" 1
360 1 16 G H4' 1 16 G H8 3.500 . 5.000 4.392 4.042 4.535 . 0 0 "[ . 1 . 2]" 1
361 1 16 G H5' 1 16 G H8 3.500 . 5.000 4.020 2.696 4.555 . 0 0 "[ . 1 . 2]" 1
362 1 16 G H5'' 1 16 G H8 3.500 . 5.000 4.108 3.592 4.790 . 0 0 "[ . 1 . 2]" 1
363 1 16 G H1' 1 16 G H2' 2.400 . 3.000 2.760 2.698 2.802 . 0 0 "[ . 1 . 2]" 1
364 1 16 G H1' 1 16 G H3' 3.500 . 4.000 3.876 3.859 3.890 . 0 0 "[ . 1 . 2]" 1
365 1 16 G H1' 1 16 G H4' 3.500 . 5.000 3.366 3.190 3.619 . 0 0 "[ . 1 . 2]" 1
366 1 16 G H1' 1 16 G H5' 3.500 . 6.000 4.876 4.516 5.126 . 0 0 "[ . 1 . 2]" 1
367 1 16 G H1' 1 16 G H5'' 3.500 . 6.000 5.127 5.024 5.275 . 0 0 "[ . 1 . 2]" 1
368 1 16 G H2' 1 16 G H3' 3.500 . 4.000 2.364 2.358 2.370 . 0 0 "[ . 1 . 2]" 1
369 1 16 G H2' 1 16 G H4' 3.500 . 5.000 3.849 3.795 3.912 . 0 0 "[ . 1 . 2]" 1
370 1 16 G H3' 1 16 G H4' 3.500 . 4.000 3.035 3.018 3.048 . 0 0 "[ . 1 . 2]" 1
371 1 16 G H3' 1 16 G H5' 3.500 . 5.000 3.591 3.455 3.702 . 0 0 "[ . 1 . 2]" 1
372 1 16 G H3' 1 16 G H5'' 3.500 . 5.000 2.596 2.195 3.196 . 0 0 "[ . 1 . 2]" 1
373 1 16 G H4' 1 16 G H5'' 2.400 . 3.000 2.609 2.291 2.814 . 0 0 "[ . 1 . 2]" 1
374 1 16 G H1' 1 17 U H6 3.500 . 5.000 4.974 4.894 5.014 0.014 8 0 "[ . 1 . 2]" 1
375 1 16 G H2' 1 17 U H6 2.400 . 3.000 2.237 2.143 2.324 . 0 0 "[ . 1 . 2]" 1
376 1 16 G H3' 1 17 U H6 2.400 . 3.000 2.824 2.488 3.042 0.042 5 0 "[ . 1 . 2]" 1
377 1 16 G H8 1 17 U H5 3.500 . 5.000 3.927 3.722 4.256 . 0 0 "[ . 1 . 2]" 1
378 1 16 G H2' 1 17 U H5 3.500 . 5.000 3.373 3.109 3.812 . 0 0 "[ . 1 . 2]" 1
379 1 16 G H3' 1 17 U H5 3.500 . 5.000 2.653 2.263 3.096 . 0 0 "[ . 1 . 2]" 1
380 1 16 G H2' 1 17 U H1' 3.500 . 5.000 4.021 3.434 4.466 . 0 0 "[ . 1 . 2]" 1
381 1 16 G H2' 1 17 U H5' 3.500 . 5.000 2.968 2.750 3.194 . 0 0 "[ . 1 . 2]" 1
382 1 16 G H2' 1 17 U H5'' 3.500 . 5.000 4.412 4.162 4.622 . 0 0 "[ . 1 . 2]" 1
383 1 17 U H1' 1 17 U H6 3.500 . 4.000 3.687 3.655 3.707 . 0 0 "[ . 1 . 2]" 1
384 1 17 U H3' 1 17 U H6 2.400 . 3.000 2.356 2.205 2.506 . 0 0 "[ . 1 . 2]" 1
385 1 17 U H4' 1 17 U H6 3.500 . 5.000 3.930 3.870 3.990 . 0 0 "[ . 1 . 2]" 1
386 1 17 U H5' 1 17 U H6 3.500 . 5.000 3.216 3.047 3.492 . 0 0 "[ . 1 . 2]" 1
387 1 17 U H5'' 1 17 U H6 3.500 . 5.000 3.779 3.657 3.850 . 0 0 "[ . 1 . 2]" 1
388 1 17 U H3' 1 17 U H5 3.500 . 5.000 4.337 4.235 4.415 . 0 0 "[ . 1 . 2]" 1
389 1 17 U H5 1 17 U H5'' 3.500 . 6.000 5.961 5.812 6.052 0.052 20 0 "[ . 1 . 2]" 1
390 1 17 U H5 1 17 U H5' 3.500 . 6.000 5.325 5.141 5.657 . 0 0 "[ . 1 . 2]" 1
391 1 17 U H1' 1 17 U H2' 2.400 . 3.000 2.744 2.729 2.762 . 0 0 "[ . 1 . 2]" 1
392 1 17 U H1' 1 17 U H3' 3.500 . 4.000 3.875 3.862 3.887 . 0 0 "[ . 1 . 2]" 1
393 1 17 U H1' 1 17 U H4' 3.500 . 4.000 3.440 3.373 3.505 . 0 0 "[ . 1 . 2]" 1
394 1 17 U H1' 1 17 U H5'' 3.500 . 6.000 5.250 5.231 5.265 . 0 0 "[ . 1 . 2]" 1
395 1 17 U H2' 1 17 U H3' 2.400 . 3.000 2.365 2.359 2.370 . 0 0 "[ . 1 . 2]" 1
396 1 17 U H2' 1 17 U H5' 3.500 . 6.000 5.219 5.178 5.288 . 0 0 "[ . 1 . 2]" 1
397 1 17 U H2' 1 17 U H5'' 3.500 . 6.000 5.008 4.921 5.059 . 0 0 "[ . 1 . 2]" 1
398 1 17 U H3' 1 17 U H5' 3.500 . 5.000 3.579 3.545 3.635 . 0 0 "[ . 1 . 2]" 1
399 1 17 U H3' 1 17 U H5'' 3.500 . 5.000 3.011 2.896 3.086 . 0 0 "[ . 1 . 2]" 1
400 1 17 U H4' 1 17 U H5'' 3.500 . 4.000 2.376 2.343 2.438 . 0 0 "[ . 1 . 2]" 1
401 1 17 U H1' 1 18 C H6 3.500 . 5.000 4.928 4.737 5.035 0.035 9 0 "[ . 1 . 2]" 1
402 1 17 U H2' 1 18 C H6 2.400 . 3.000 2.211 2.034 2.371 . 0 0 "[ . 1 . 2]" 1
403 1 17 U H3' 1 18 C H6 3.500 . 4.000 3.151 2.824 3.647 . 0 0 "[ . 1 . 2]" 1
404 1 17 U H2' 1 18 C H5 3.500 . 5.000 3.306 2.468 3.674 . 0 0 "[ . 1 . 2]" 1
405 1 17 U H3' 1 18 C H5 3.500 . 5.000 3.263 2.784 3.806 . 0 0 "[ . 1 . 2]" 1
406 1 17 U H6 1 18 C H5 3.500 . 5.000 3.592 3.106 4.404 . 0 0 "[ . 1 . 2]" 1
407 1 17 U H5 1 18 C H5 3.500 . 5.000 3.584 3.115 4.371 . 0 0 "[ . 1 . 2]" 1
408 1 17 U H2' 1 18 C H5' 3.500 . 5.000 3.380 3.024 3.635 . 0 0 "[ . 1 . 2]" 1
409 1 17 U H2' 1 18 C H5'' 3.500 . 5.000 4.658 4.426 4.918 . 0 0 "[ . 1 . 2]" 1
410 1 18 C H1' 1 18 C H6 3.500 . 5.000 3.669 3.552 3.724 . 0 0 "[ . 1 . 2]" 1
411 1 18 C H3' 1 18 C H6 3.500 . 4.000 2.568 2.231 3.008 . 0 0 "[ . 1 . 2]" 1
412 1 18 C H4' 1 18 C H6 3.500 . 5.000 4.064 3.898 4.185 . 0 0 "[ . 1 . 2]" 1
413 1 18 C H5' 1 18 C H6 3.500 . 5.000 3.540 2.863 3.906 . 0 0 "[ . 1 . 2]" 1
414 1 18 C H5'' 1 18 C H6 3.500 . 5.000 3.995 3.788 4.281 . 0 0 "[ . 1 . 2]" 1
415 1 18 C H1' 1 18 C H2' 2.400 . 3.000 2.776 2.725 2.816 . 0 0 "[ . 1 . 2]" 1
416 1 18 C H1' 1 18 C H4' 3.500 . 4.000 3.318 3.164 3.495 . 0 0 "[ . 1 . 2]" 1
417 1 18 C H1' 1 18 C H5' 3.500 . 6.000 4.692 4.618 4.766 . 0 0 "[ . 1 . 2]" 1
418 1 18 C H1' 1 18 C H5'' 3.500 . 6.000 5.208 5.148 5.267 . 0 0 "[ . 1 . 2]" 1
419 1 18 C H2' 1 18 C H3' 2.400 . 3.000 2.359 2.348 2.372 . 0 0 "[ . 1 . 2]" 1
420 1 18 C H2' 1 18 C H5' 3.500 . 6.000 5.269 5.182 5.312 . 0 0 "[ . 1 . 2]" 1
421 1 18 C H2' 1 18 C H5'' 3.500 . 6.000 4.933 4.827 5.073 . 0 0 "[ . 1 . 2]" 1
422 1 18 C H3' 1 18 C H5'' 3.500 . 5.000 2.917 2.757 3.102 . 0 0 "[ . 1 . 2]" 1
423 1 18 C H4' 1 18 C H5' 3.500 . 5.000 2.511 2.439 2.617 . 0 0 "[ . 1 . 2]" 1
424 1 18 C H4' 1 18 C H5'' 3.500 . 5.000 2.430 2.340 2.499 . 0 0 "[ . 1 . 2]" 1
425 1 18 C H1' 1 19 C H6 3.500 . 5.000 4.887 4.524 5.030 0.030 20 0 "[ . 1 . 2]" 1
426 1 18 C H2' 1 19 C H6 2.400 . 3.000 2.244 2.027 2.457 . 0 0 "[ . 1 . 2]" 1
427 1 18 C H3' 1 19 C H6 3.500 . 4.000 3.536 3.171 4.010 0.010 5 0 "[ . 1 . 2]" 1
428 1 18 C H2' 1 19 C H5 3.500 . 5.000 3.066 2.634 3.682 . 0 0 "[ . 1 . 2]" 1
429 1 18 C H3' 1 19 C H5 3.500 . 4.000 3.511 2.693 3.970 . 0 0 "[ . 1 . 2]" 1
430 1 18 C H2' 1 19 C H1' 3.500 . 5.000 4.356 3.549 5.026 0.026 16 0 "[ . 1 . 2]" 1
431 1 18 C H2' 1 19 C H5'' 3.500 . 5.000 4.813 4.529 5.010 0.010 7 0 "[ . 1 . 2]" 1
432 1 19 C H1' 1 19 C H6 3.500 . 5.000 3.657 3.544 3.729 . 0 0 "[ . 1 . 2]" 1
433 1 19 C H2' 1 19 C H6 3.500 . 5.000 3.490 3.057 3.936 . 0 0 "[ . 1 . 2]" 1
434 1 19 C H3' 1 19 C H6 3.500 . 4.000 2.564 2.120 3.056 . 0 0 "[ . 1 . 2]" 1
435 1 19 C H4' 1 19 C H6 3.500 . 5.000 4.007 3.901 4.115 . 0 0 "[ . 1 . 2]" 1
436 1 19 C H5' 1 19 C H6 3.500 . 5.000 3.495 2.868 4.011 . 0 0 "[ . 1 . 2]" 1
437 1 19 C H5'' 1 19 C H6 3.500 . 5.000 3.812 3.645 4.044 . 0 0 "[ . 1 . 2]" 1
438 1 19 C H3' 1 19 C H5 3.500 . 5.000 4.532 4.300 4.789 . 0 0 "[ . 1 . 2]" 1
439 1 19 C H1' 1 19 C H2' 2.400 . 3.000 2.758 2.725 2.796 . 0 0 "[ . 1 . 2]" 1
440 1 19 C H1' 1 19 C H3' 3.500 . 4.000 3.886 3.865 3.903 . 0 0 "[ . 1 . 2]" 1
441 1 19 C H1' 1 19 C H4' 3.500 . 4.000 3.393 3.257 3.528 . 0 0 "[ . 1 . 2]" 1
442 1 19 C H2' 1 19 C H3' 2.400 . 3.000 2.361 2.354 2.368 . 0 0 "[ . 1 . 2]" 1
443 1 19 C H2' 1 19 C H5'' 3.500 . 5.000 4.873 4.697 4.998 . 0 0 "[ . 1 . 2]" 1
444 1 19 C H3' 1 19 C H4' 3.500 . 4.000 3.032 3.022 3.041 . 0 0 "[ . 1 . 2]" 1
445 1 19 C H3' 1 19 C H5' 3.500 . 5.000 3.639 3.575 3.679 . 0 0 "[ . 1 . 2]" 1
446 1 19 C H3' 1 19 C H5'' 3.500 . 5.000 2.815 2.579 2.979 . 0 0 "[ . 1 . 2]" 1
447 1 19 C H6 1 20 C H5 3.500 . 5.000 4.210 3.189 4.999 . 0 0 "[ . 1 . 2]" 1
448 1 19 C H1' 1 20 C H6 3.500 . 5.000 4.975 4.825 5.033 0.033 1 0 "[ . 1 . 2]" 1
449 1 19 C H2' 1 20 C H6 2.400 . 3.000 2.323 2.241 2.478 . 0 0 "[ . 1 . 2]" 1
450 1 19 C H3' 1 20 C H6 3.500 . 4.000 3.575 2.695 3.947 . 0 0 "[ . 1 . 2]" 1
451 1 19 C H2' 1 20 C H5 3.500 . 5.000 3.161 2.726 3.794 . 0 0 "[ . 1 . 2]" 1
452 1 19 C H3' 1 20 C H5 3.500 . 5.000 3.538 2.804 3.912 . 0 0 "[ . 1 . 2]" 1
453 1 19 C H2' 1 20 C H1' 3.500 . 5.000 4.281 3.507 4.850 . 0 0 "[ . 1 . 2]" 1
454 1 19 C H2' 1 20 C H5'' 3.500 . 5.000 4.676 4.317 4.929 . 0 0 "[ . 1 . 2]" 1
455 1 20 C H1' 1 20 C H6 3.500 . 4.000 3.703 3.676 3.715 . 0 0 "[ . 1 . 2]" 1
456 1 20 C H3' 1 20 C H6 2.400 . 3.000 2.232 2.120 2.434 . 0 0 "[ . 1 . 2]" 1
457 1 20 C H4' 1 20 C H6 3.500 . 4.000 4.021 3.979 4.062 0.062 15 0 "[ . 1 . 2]" 1
458 1 20 C H5' 1 20 C H6 3.500 . 5.000 3.678 3.459 3.860 . 0 0 "[ . 1 . 2]" 1
459 1 20 C H5'' 1 20 C H6 3.500 . 5.000 3.827 3.734 3.973 . 0 0 "[ . 1 . 2]" 1
460 1 20 C H2' 1 20 C H5 3.500 . 5.000 4.838 4.727 4.966 . 0 0 "[ . 1 . 2]" 1
461 1 20 C H3' 1 20 C H5 3.500 . 5.000 4.349 4.297 4.442 . 0 0 "[ . 1 . 2]" 1
462 1 20 C H1' 1 20 C H2' 2.400 . 3.000 2.769 2.757 2.783 . 0 0 "[ . 1 . 2]" 1
463 1 20 C H1' 1 20 C H3' 3.500 . 4.000 3.848 3.842 3.851 . 0 0 "[ . 1 . 2]" 1
464 1 20 C H1' 1 20 C H4' 3.500 . 4.000 3.343 3.281 3.391 . 0 0 "[ . 1 . 2]" 1
465 1 20 C H1' 1 20 C H5' 3.500 . 6.000 4.734 4.682 4.779 . 0 0 "[ . 1 . 2]" 1
466 1 20 C H1' 1 20 C H5'' 3.500 . 6.000 5.213 5.199 5.232 . 0 0 "[ . 1 . 2]" 1
467 1 20 C H2' 1 20 C H3' 2.400 . 3.000 2.343 2.341 2.347 . 0 0 "[ . 1 . 2]" 1
468 1 20 C H3' 1 20 C H5' 3.500 . 5.000 3.631 3.599 3.659 . 0 0 "[ . 1 . 2]" 1
469 1 20 C H3' 1 20 C H5'' 3.500 . 5.000 2.838 2.747 2.942 . 0 0 "[ . 1 . 2]" 1
470 1 20 C H4' 1 20 C H5' 3.500 . 4.000 2.467 2.416 2.521 . 0 0 "[ . 1 . 2]" 1
471 1 20 C H4' 1 20 C H5'' 3.500 . 4.000 2.468 2.416 2.520 . 0 0 "[ . 1 . 2]" 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 49
_Distance_constraint_stats_list.Viol_count 131
_Distance_constraint_stats_list.Viol_total 50.714
_Distance_constraint_stats_list.Viol_max 0.051
_Distance_constraint_stats_list.Viol_rms 0.0080
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0026
_Distance_constraint_stats_list.Viol_average_violations_only 0.0194
_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 2 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 G 0.013 0.013 4 0 "[ . 1 . 2]"
1 4 A 0.028 0.020 1 0 "[ . 1 . 2]"
1 5 U 0.555 0.045 15 0 "[ . 1 . 2]"
1 6 A 0.331 0.045 15 0 "[ . 1 . 2]"
1 7 A 0.471 0.038 2 0 "[ . 1 . 2]"
1 8 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 U 0.558 0.048 14 0 "[ . 1 . 2]"
1 10 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 C 0.449 0.051 14 0 "[ . 1 . 2]"
1 12 G 0.782 0.051 14 0 "[ . 1 . 2]"
1 13 G 0.803 0.048 14 0 "[ . 1 . 2]"
1 14 U 0.490 0.043 13 0 "[ . 1 . 2]"
1 15 U 0.485 0.042 14 0 "[ . 1 . 2]"
1 16 G 0.057 0.018 20 0 "[ . 1 . 2]"
1 17 U 0.016 0.007 5 0 "[ . 1 . 2]"
1 18 C 0.033 0.020 1 0 "[ . 1 . 2]"
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 4 A H2 1 18 C H1' 3.500 . 5.000 4.358 3.839 5.020 0.020 1 0 "[ . 1 . 2]" 2
2 1 6 A H2 1 16 G H1' 3.500 . 5.000 4.139 3.518 5.018 0.018 20 0 "[ . 1 . 2]" 2
3 1 7 A H2 1 15 U H1' 3.500 . 5.000 4.114 3.647 4.532 . 0 0 "[ . 1 . 2]" 2
4 1 4 A H2 1 17 U H3 2.400 . 3.000 2.719 2.483 3.007 0.007 5 0 "[ . 1 . 2]" 2
5 1 5 U H3 1 16 G H1 2.400 . 3.000 2.558 2.080 2.892 . 0 0 "[ . 1 . 2]" 2
6 1 6 A H2 1 15 U H3 2.400 . 3.000 2.205 2.070 2.446 . 0 0 "[ . 1 . 2]" 2
7 1 7 A H2 1 14 U H3 2.400 . 3.000 2.981 2.863 3.024 0.024 14 0 "[ . 1 . 2]" 2
8 1 2 G H1 1 3 G H1 3.500 . 5.000 3.378 2.921 4.411 . 0 0 "[ . 1 . 2]" 2
9 1 3 G H1 1 17 U H3 3.500 . 5.000 4.141 3.704 4.971 . 0 0 "[ . 1 . 2]" 2
10 1 5 U H3 1 17 U H3 3.500 . 5.000 4.180 3.015 4.776 . 0 0 "[ . 1 . 2]" 2
11 1 16 G H1 1 17 U H3 3.500 . 5.000 3.266 3.071 3.504 . 0 0 "[ . 1 . 2]" 2
12 1 5 U H3 1 15 U H3 3.500 . 5.000 5.022 4.984 5.042 0.042 14 0 "[ . 1 . 2]" 2
13 1 14 U H3 1 15 U H3 3.500 . 5.000 4.811 4.053 5.010 0.010 11 0 "[ . 1 . 2]" 2
14 1 13 G H1 1 14 U H3 3.500 . 5.000 2.953 2.862 3.051 . 0 0 "[ . 1 . 2]" 2
15 1 12 G H1 1 13 G H1 3.500 . 5.000 4.667 3.878 5.045 0.045 13 0 "[ . 1 . 2]" 2
16 1 3 G H1 1 4 A H2 3.500 . 5.000 3.509 3.163 4.472 . 0 0 "[ . 1 . 2]" 2
17 1 4 A H2 1 5 U H3 3.500 . 6.000 5.068 4.534 5.621 . 0 0 "[ . 1 . 2]" 2
18 1 5 U H3 1 6 A H2 3.500 . 5.000 4.815 4.579 5.045 0.045 15 0 "[ . 1 . 2]" 2
19 1 7 A H2 1 15 U H3 3.500 . 5.000 3.243 2.732 3.725 . 0 0 "[ . 1 . 2]" 2
20 1 2 G H1 1 3 G H1' 3.500 . 6.000 5.370 4.801 5.997 . 0 0 "[ . 1 . 2]" 2
21 1 9 U H2' 1 12 G H1 3.500 . 5.000 3.779 3.546 4.053 . 0 0 "[ . 1 . 2]" 2
22 1 9 U H6 1 12 G H1 3.500 . 6.000 5.440 5.354 5.588 . 0 0 "[ . 1 . 2]" 2
23 1 9 U H1' 1 12 G H1 3.500 . 5.000 2.028 1.964 2.183 . 0 0 "[ . 1 . 2]" 2
24 1 11 C H1' 1 12 G H1 3.500 . 5.000 3.936 3.632 4.587 . 0 0 "[ . 1 . 2]" 2
25 1 11 C H5 1 12 G H1 3.500 . 6.000 5.803 5.046 6.018 0.018 1 0 "[ . 1 . 2]" 2
26 1 12 G H1 1 13 G H8 3.500 . 6.000 5.069 4.456 5.846 . 0 0 "[ . 1 . 2]" 2
27 1 9 U H2' 1 13 G H1 3.500 . 6.000 5.995 5.869 6.048 0.048 14 0 "[ . 1 . 2]" 2
28 1 7 A H2 1 13 G H1 3.500 . 5.000 5.017 4.979 5.038 0.038 2 0 "[ . 1 . 2]" 2
29 1 6 A H2 1 14 U H3 3.500 . 6.000 5.916 5.444 6.043 0.043 13 0 "[ . 1 . 2]" 2
30 1 4 A H2 1 16 G H1 3.500 . 6.000 4.084 3.367 5.074 . 0 0 "[ . 1 . 2]" 2
31 1 9 U H3 1 12 G H1 3.500 . 5.000 4.407 4.274 4.832 . 0 0 "[ . 1 . 2]" 2
32 1 9 U H3 1 13 G H1 3.500 . 5.000 3.634 2.919 4.144 . 0 0 "[ . 1 . 2]" 2
33 1 9 U H4' 1 12 G H1 3.500 . 5.000 4.996 4.759 5.034 0.034 19 0 "[ . 1 . 2]" 2
34 1 11 C H6 1 12 G H1 3.500 . 6.000 5.020 4.615 5.156 . 0 0 "[ . 1 . 2]" 2
35 1 5 U H2' 1 16 G H1 3.500 . 5.000 4.704 4.464 5.016 0.016 8 0 "[ . 1 . 2]" 2
36 1 6 A H8 1 16 G H1 3.500 . 6.000 5.320 4.602 5.923 . 0 0 "[ . 1 . 2]" 2
37 1 6 A H1' 1 16 G H1 3.500 . 5.000 4.117 3.306 4.980 . 0 0 "[ . 1 . 2]" 2
38 1 16 G H1 1 17 U H1' 3.500 . 5.000 4.721 4.259 5.005 0.005 9 0 "[ . 1 . 2]" 2
39 1 5 U H1' 1 16 G H1 3.500 . 5.000 3.980 3.672 4.381 . 0 0 "[ . 1 . 2]" 2
40 1 5 U H3 1 6 A H8 3.500 . 6.000 4.899 4.397 5.570 . 0 0 "[ . 1 . 2]" 2
41 1 9 U H6 1 13 G H1 3.500 . 6.000 4.780 4.329 5.375 . 0 0 "[ . 1 . 2]" 2
42 1 8 C H2' 1 13 G H1 3.500 . 6.000 3.953 3.729 4.362 . 0 0 "[ . 1 . 2]" 2
43 1 9 U H1' 1 13 G H1 3.500 . 5.000 4.110 3.874 4.343 . 0 0 "[ . 1 . 2]" 2
44 1 13 G H1 1 14 U H1' 3.500 . 5.000 4.995 4.936 5.035 0.035 2 0 "[ . 1 . 2]" 2
45 1 3 G H1 1 18 C H1' 3.500 . 5.000 4.566 4.282 5.013 0.013 4 0 "[ . 1 . 2]" 2
46 1 14 U H2' 1 14 U H3 3.500 . 5.000 4.621 4.556 4.687 . 0 0 "[ . 1 . 2]" 2
47 1 15 U H3 1 16 G H8 3.500 . 5.000 4.279 3.711 5.007 0.007 1 0 "[ . 1 . 2]" 2
48 1 11 C H2' 1 12 G H1 3.500 . 6.000 6.013 5.919 6.051 0.051 14 0 "[ . 1 . 2]" 2
49 1 10 U H3' 1 12 G H1 3.500 . 6.000 5.313 4.949 5.588 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 20
_Distance_constraint_stats_list.Viol_count 41
_Distance_constraint_stats_list.Viol_total 8.300
_Distance_constraint_stats_list.Viol_max 0.031
_Distance_constraint_stats_list.Viol_rms 0.0040
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0101
_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 0.109 0.028 5 0 "[ . 1 . 2]"
1 2 G 0.046 0.013 8 0 "[ . 1 . 2]"
1 3 G 0.061 0.022 12 0 "[ . 1 . 2]"
1 4 A 0.122 0.031 13 0 "[ . 1 . 2]"
1 5 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 C 0.077 0.016 15 0 "[ . 1 . 2]"
1 13 G 0.077 0.016 15 0 "[ . 1 . 2]"
1 14 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 U 0.122 0.031 13 0 "[ . 1 . 2]"
1 18 C 0.061 0.022 12 0 "[ . 1 . 2]"
1 19 C 0.046 0.013 8 0 "[ . 1 . 2]"
1 20 C 0.109 0.028 5 0 "[ . 1 . 2]"
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 N1 1 20 C N3 2.900 2.650 3.250 3.073 2.944 3.196 . 0 0 "[ . 1 . 2]" 3
2 1 1 G N2 1 20 C O2 2.950 2.640 3.170 3.123 2.990 3.193 0.023 12 0 "[ . 1 . 2]" 3
3 1 1 G O6 1 20 C N4 2.950 2.640 3.170 3.045 2.826 3.198 0.028 5 0 "[ . 1 . 2]" 3
4 1 2 G N1 1 19 C N3 2.900 2.650 3.250 2.977 2.862 3.122 . 0 0 "[ . 1 . 2]" 3
5 1 2 G N2 1 19 C O2 2.950 2.640 3.170 2.887 2.711 3.045 . 0 0 "[ . 1 . 2]" 3
6 1 2 G O6 1 19 C N4 2.950 2.640 3.170 3.055 2.832 3.183 0.013 8 0 "[ . 1 . 2]" 3
7 1 3 G N1 1 18 C N3 2.900 2.650 3.250 2.998 2.873 3.105 . 0 0 "[ . 1 . 2]" 3
8 1 3 G N2 1 18 C O2 2.950 2.640 3.170 2.832 2.692 2.991 . 0 0 "[ . 1 . 2]" 3
9 1 3 G O6 1 18 C N4 2.950 2.640 3.170 3.137 2.858 3.192 0.022 12 0 "[ . 1 . 2]" 3
10 1 4 A N1 1 17 U N3 2.900 2.650 3.250 2.792 2.651 2.891 . 0 0 "[ . 1 . 2]" 3
11 1 4 A N6 1 17 U O4 2.950 2.640 3.170 3.109 2.925 3.201 0.031 13 0 "[ . 1 . 2]" 3
12 1 5 U N3 1 16 G O6 2.950 2.640 3.170 2.797 2.697 2.961 . 0 0 "[ . 1 . 2]" 3
13 1 5 U O2 1 16 G N1 2.950 2.640 3.170 2.783 2.650 2.881 . 0 0 "[ . 1 . 2]" 3
14 1 6 A N1 1 15 U N3 2.900 2.650 3.250 3.039 2.908 3.168 . 0 0 "[ . 1 . 2]" 3
15 1 6 A N6 1 15 U O4 2.950 2.640 3.170 2.963 2.851 3.112 . 0 0 "[ . 1 . 2]" 3
16 1 7 A N1 1 14 U N3 2.900 2.650 3.250 2.863 2.737 2.974 . 0 0 "[ . 1 . 2]" 3
17 1 7 A N6 1 14 U O4 2.950 2.640 3.170 2.923 2.754 3.055 . 0 0 "[ . 1 . 2]" 3
18 1 8 C N3 1 13 G N1 2.900 2.650 3.250 3.110 2.970 3.174 . 0 0 "[ . 1 . 2]" 3
19 1 8 C O2 1 13 G N2 2.950 2.640 3.170 3.000 2.756 3.146 . 0 0 "[ . 1 . 2]" 3
20 1 8 C N4 1 13 G O6 2.950 2.640 3.170 3.152 2.971 3.186 0.016 15 0 "[ . 1 . 2]" 3
stop_
save_
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