NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
483464 |
1xhp   |
6320 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1xhp
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 435
_Distance_constraint_stats_list.Viol_count 343
_Distance_constraint_stats_list.Viol_total 545.185
_Distance_constraint_stats_list.Viol_max 0.681
_Distance_constraint_stats_list.Viol_rms 0.0585
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0125
_Distance_constraint_stats_list.Viol_average_violations_only 0.1589
_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 0.571 0.086 10 0 "[ . 1]"
1 2 A 4.493 0.352 3 0 "[ . 1]"
1 3 G 11.830 0.681 5 10 [****+*-***]
1 4 C 0.000 0.000 . 0 "[ . 1]"
1 5 A 1.073 0.162 5 0 "[ . 1]"
1 6 G 3.238 0.346 1 0 "[ . 1]"
1 7 U 4.451 0.346 1 0 "[ . 1]"
1 8 U 0.037 0.026 8 0 "[ . 1]"
1 9 C 0.000 0.000 . 0 "[ . 1]"
1 10 C 0.790 0.116 7 0 "[ . 1]"
1 11 C 0.935 0.116 7 0 "[ . 1]"
1 12 C 0.962 0.142 7 0 "[ . 1]"
1 13 U 1.548 0.188 10 0 "[ . 1]"
1 14 G 6.731 0.273 2 0 "[ . 1]"
1 15 C 6.150 0.363 6 0 "[ . 1]"
1 16 A 6.602 0.372 9 0 "[ . 1]"
1 17 U 3.320 0.363 6 0 "[ . 1]"
1 18 A 9.590 0.460 10 0 "[ . 1]"
1 19 A 3.840 0.460 10 0 "[ . 1]"
1 20 G 4.434 0.410 3 0 "[ . 1]"
1 21 G 4.458 0.410 3 0 "[ . 1]"
1 22 A 4.229 0.378 8 0 "[ . 1]"
1 23 U 4.658 0.378 8 0 "[ . 1]"
1 24 G 4.504 0.351 3 0 "[ . 1]"
1 25 A 4.135 0.351 3 0 "[ . 1]"
1 26 A 3.574 0.347 6 0 "[ . 1]"
1 27 C 3.180 0.347 6 0 "[ . 1]"
1 28 C 0.000 0.000 . 0 "[ . 1]"
1 29 G 1.258 0.162 5 0 "[ . 1]"
1 30 U 8.093 0.681 5 10 [****+*-***]
1 31 U 0.000 0.000 . 0 "[ . 1]"
1 32 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 2 A Q5' 1 2 A H8 4.100 . 5.000 4.333 4.300 4.375 . 0 0 "[ . 1]" 1
2 1 2 A H4' 1 2 A H8 4.100 . 5.000 4.710 4.683 4.729 . 0 0 "[ . 1]" 1
3 1 2 A H3' 1 2 A H8 3.200 . 3.900 3.550 3.500 3.593 . 0 0 "[ . 1]" 1
4 1 2 A H2' 1 2 A H8 4.100 . 5.000 3.156 3.128 3.172 . 0 0 "[ . 1]" 1
5 1 2 A H1' 1 2 A H8 4.000 . 4.800 3.872 3.863 3.882 . 0 0 "[ . 1]" 1
6 1 1 G H3' 1 2 A H8 3.200 . 3.900 3.871 3.800 3.933 0.033 7 0 "[ . 1]" 1
7 1 1 G H2' 1 2 A H8 2.000 . 2.800 2.448 2.403 2.473 . 0 0 "[ . 1]" 1
8 1 1 G H1' 1 2 A H8 4.180 . 5.080 5.126 5.089 5.166 0.086 10 0 "[ . 1]" 1
9 1 1 G H1' 1 2 A H1' 6.000 3.000 7.000 5.837 5.807 5.869 . 0 0 "[ . 1]" 1
10 1 1 G H2' 1 2 A H1' 4.180 . 5.080 4.399 4.354 4.466 . 0 0 "[ . 1]" 1
11 1 1 G H3' 1 2 A H1' 6.000 3.000 7.000 6.532 6.492 6.582 . 0 0 "[ . 1]" 1
12 1 3 G Q5' 1 3 G H8 4.100 . 5.000 4.101 4.091 4.114 . 0 0 "[ . 1]" 1
13 1 3 G H4' 1 3 G H8 4.100 . 5.000 4.599 4.588 4.607 . 0 0 "[ . 1]" 1
14 1 3 G H2' 1 3 G H8 4.100 . 6.000 3.992 3.968 4.015 . 0 0 "[ . 1]" 1
15 1 3 G H3' 1 3 G H8 3.200 . 3.900 3.428 3.398 3.466 . 0 0 "[ . 1]" 1
16 1 3 G H1' 1 3 G H8 4.000 . 4.800 3.688 3.679 3.695 . 0 0 "[ . 1]" 1
17 1 2 A H3' 1 3 G H8 3.200 . 3.900 4.211 4.190 4.252 0.352 3 0 "[ . 1]" 1
18 1 2 A H2' 1 3 G H8 2.000 . 2.800 1.986 1.959 2.019 . 0 0 "[ . 1]" 1
19 1 2 A H1' 1 3 G H8 4.180 . 5.080 3.625 3.594 3.675 . 0 0 "[ . 1]" 1
20 1 2 A H8 1 3 G H8 5.000 . 7.000 4.442 4.398 4.478 . 0 0 "[ . 1]" 1
21 1 2 A H2' 1 3 G H1' 4.180 . 5.080 5.162 5.128 5.196 0.116 10 0 "[ . 1]" 1
22 1 4 C H4' 1 4 C H6 4.100 . 5.000 4.166 4.144 4.186 . 0 0 "[ . 1]" 1
23 1 4 C H3' 1 4 C H6 3.000 . 3.300 2.803 2.764 2.858 . 0 0 "[ . 1]" 1
24 1 4 C H2' 1 4 C H6 4.000 . 4.800 3.601 3.544 3.641 . 0 0 "[ . 1]" 1
25 1 4 C H1' 1 4 C H6 4.000 . 4.800 3.620 3.610 3.631 . 0 0 "[ . 1]" 1
26 1 3 G H3' 1 4 C H6 3.200 . 3.900 3.264 3.231 3.311 . 0 0 "[ . 1]" 1
27 1 3 G H2' 1 4 C H6 3.000 . 4.000 2.154 2.136 2.162 . 0 0 "[ . 1]" 1
28 1 3 G H1' 1 4 C H6 4.100 . 5.000 4.835 4.809 4.859 . 0 0 "[ . 1]" 1
29 1 3 G H3' 1 4 C H5 3.200 . 4.900 4.033 3.962 4.117 . 0 0 "[ . 1]" 1
30 1 3 G H2' 1 4 C H5 5.000 2.200 6.700 3.815 3.768 3.879 . 0 0 "[ . 1]" 1
31 1 3 G H1' 1 4 C H5 5.000 . 6.000 5.684 5.637 5.731 . 0 0 "[ . 1]" 1
32 1 3 G H8 1 4 C H5 4.000 . 4.800 3.870 3.814 3.950 . 0 0 "[ . 1]" 1
33 1 3 G H8 1 4 C H6 5.000 . 6.000 4.718 4.653 4.763 . 0 0 "[ . 1]" 1
34 1 5 A H4' 1 5 A H8 4.100 . 5.000 4.526 4.515 4.545 . 0 0 "[ . 1]" 1
35 1 5 A H3' 1 5 A H8 3.200 . 3.900 3.099 3.066 3.157 . 0 0 "[ . 1]" 1
36 1 5 A H2' 1 5 A H8 4.100 . 5.000 3.751 3.714 3.809 . 0 0 "[ . 1]" 1
37 1 5 A H1' 1 5 A H8 4.000 . 4.800 3.803 3.794 3.808 . 0 0 "[ . 1]" 1
38 1 4 C H2' 1 5 A H8 2.000 . 2.800 2.247 2.226 2.264 . 0 0 "[ . 1]" 1
39 1 4 C H1' 1 5 A H8 4.180 . 5.080 4.785 4.763 4.811 . 0 0 "[ . 1]" 1
40 1 4 C H6 1 5 A H8 5.000 . 6.000 4.886 4.837 4.920 . 0 0 "[ . 1]" 1
41 1 4 C H2' 1 5 A H1' 4.180 . 5.080 4.564 4.502 4.605 . 0 0 "[ . 1]" 1
42 1 6 G H5'' 1 6 G H8 4.100 . 5.000 4.868 4.831 4.910 . 0 0 "[ . 1]" 1
43 1 6 G H4' 1 6 G H8 4.100 . 5.000 4.570 4.552 4.586 . 0 0 "[ . 1]" 1
44 1 6 G H3' 1 6 G H8 3.200 . 3.900 3.492 3.456 3.544 . 0 0 "[ . 1]" 1
45 1 6 G H2' 1 6 G H8 4.100 . 5.000 4.063 4.023 4.086 . 0 0 "[ . 1]" 1
46 1 6 G H1' 1 6 G H8 4.000 . 4.800 3.676 3.666 3.690 . 0 0 "[ . 1]" 1
47 1 5 A H3' 1 6 G H8 3.200 . 3.900 3.172 3.083 3.291 . 0 0 "[ . 1]" 1
48 1 5 A H2' 1 6 G H8 2.000 . 2.800 1.957 1.931 2.002 . 0 0 "[ . 1]" 1
49 1 5 A H1' 1 6 G H8 4.180 . 5.080 4.484 4.458 4.505 . 0 0 "[ . 1]" 1
50 1 5 A H8 1 6 G H8 5.000 . 6.000 4.051 3.951 4.123 . 0 0 "[ . 1]" 1
51 1 7 U H4' 1 7 U H6 4.100 . 5.000 4.023 4.009 4.044 . 0 0 "[ . 1]" 1
52 1 7 U H3' 1 7 U H6 3.000 . 3.300 2.640 2.615 2.677 . 0 0 "[ . 1]" 1
53 1 7 U H2' 1 7 U H6 4.000 . 4.800 3.822 3.795 3.847 . 0 0 "[ . 1]" 1
54 1 7 U H1' 1 7 U H6 4.000 . 4.800 3.580 3.573 3.587 . 0 0 "[ . 1]" 1
55 1 6 G H3' 1 7 U H6 3.900 2.200 5.000 3.229 3.170 3.281 . 0 0 "[ . 1]" 1
56 1 6 G H2' 1 7 U H6 2.100 . 2.400 1.953 1.931 1.965 . 0 0 "[ . 1]" 1
57 1 6 G H1' 1 7 U H6 4.300 . 5.300 4.760 4.732 4.789 . 0 0 "[ . 1]" 1
58 1 6 G H3' 1 7 U H5 3.900 2.200 5.000 3.553 3.500 3.613 . 0 0 "[ . 1]" 1
59 1 6 G H2' 1 7 U H5 3.900 2.200 5.000 3.354 3.296 3.397 . 0 0 "[ . 1]" 1
60 1 6 G H1' 1 7 U H5 4.300 . 5.300 5.624 5.582 5.646 0.346 1 0 "[ . 1]" 1
61 1 6 G H8 1 7 U H5 3.900 2.200 5.000 4.402 4.317 4.440 . 0 0 "[ . 1]" 1
62 1 6 G H8 1 7 U H6 5.000 . 6.000 5.259 5.188 5.311 . 0 0 "[ . 1]" 1
63 1 8 U H4' 1 8 U H6 4.100 . 5.000 4.113 4.089 4.134 . 0 0 "[ . 1]" 1
64 1 8 U H3' 1 8 U H6 3.000 . 3.300 2.805 2.777 2.831 . 0 0 "[ . 1]" 1
65 1 8 U H2' 1 8 U H6 4.000 . 4.800 3.786 3.756 3.807 . 0 0 "[ . 1]" 1
66 1 8 U H1' 1 8 U H6 4.000 . 4.800 3.573 3.569 3.583 . 0 0 "[ . 1]" 1
67 1 7 U H4' 1 8 U H6 5.500 2.500 6.500 5.503 5.467 5.540 . 0 0 "[ . 1]" 1
68 1 7 U H2' 1 8 U H6 2.100 . 2.400 2.069 2.036 2.101 . 0 0 "[ . 1]" 1
69 1 7 U H1' 1 8 U H6 4.300 . 5.300 4.640 4.603 4.676 . 0 0 "[ . 1]" 1
70 1 7 U H5 1 8 U H5 3.900 2.200 5.000 3.739 3.649 3.775 . 0 0 "[ . 1]" 1
71 1 7 U H5 1 8 U H6 5.000 . 6.000 5.391 5.327 5.437 . 0 0 "[ . 1]" 1
72 1 7 U H6 1 8 U H6 5.000 . 6.000 4.675 4.616 4.714 . 0 0 "[ . 1]" 1
73 1 7 U H2' 1 8 U H1' 4.300 . 5.300 3.941 3.889 3.984 . 0 0 "[ . 1]" 1
74 1 9 C H4' 1 9 C H6 4.100 . 5.000 4.197 4.161 4.229 . 0 0 "[ . 1]" 1
75 1 9 C H3' 1 9 C H6 3.000 . 3.300 2.809 2.767 2.833 . 0 0 "[ . 1]" 1
76 1 9 C H2' 1 9 C H6 4.000 . 4.800 3.710 3.665 3.745 . 0 0 "[ . 1]" 1
77 1 9 C H1' 1 9 C H6 4.000 . 4.800 3.583 3.573 3.593 . 0 0 "[ . 1]" 1
78 1 8 U H4' 1 9 C H6 5.500 2.500 6.500 5.767 5.707 5.849 . 0 0 "[ . 1]" 1
79 1 8 U H3' 1 9 C H6 3.900 2.200 5.000 3.410 3.348 3.465 . 0 0 "[ . 1]" 1
80 1 8 U H2' 1 9 C H6 2.100 . 2.400 2.305 2.248 2.393 . 0 0 "[ . 1]" 1
81 1 8 U H1' 1 9 C H6 4.300 . 5.300 4.956 4.898 5.012 . 0 0 "[ . 1]" 1
82 1 8 U H5 1 9 C H5 3.900 2.200 5.000 4.125 4.061 4.188 . 0 0 "[ . 1]" 1
83 1 8 U H6 1 9 C H5 4.000 . 5.000 4.561 4.479 4.639 . 0 0 "[ . 1]" 1
84 1 8 U H5 1 9 C H6 5.000 . 6.000 5.504 5.444 5.576 . 0 0 "[ . 1]" 1
85 1 8 U H6 1 9 C H6 5.000 . 6.000 4.871 4.824 4.911 . 0 0 "[ . 1]" 1
86 1 8 U H2' 1 9 C H1' 4.300 . 5.300 3.941 3.887 3.993 . 0 0 "[ . 1]" 1
87 1 10 C H4' 1 10 C H6 4.100 . 5.000 4.026 4.007 4.056 . 0 0 "[ . 1]" 1
88 1 10 C H3' 1 10 C H6 3.500 2.300 5.000 2.598 2.560 2.665 . 0 0 "[ . 1]" 1
89 1 10 C H2' 1 10 C H6 4.000 . 4.800 3.887 3.857 3.911 . 0 0 "[ . 1]" 1
90 1 10 C H1' 1 10 C H6 4.000 . 4.800 3.568 3.557 3.571 . 0 0 "[ . 1]" 1
91 1 10 C H3' 1 10 C H5 5.500 2.500 6.500 4.438 4.385 4.532 . 0 0 "[ . 1]" 1
92 1 10 C H2' 1 10 C H5 5.500 2.500 6.500 5.404 5.343 5.436 . 0 0 "[ . 1]" 1
93 1 10 C H1' 1 10 C H5 5.500 2.500 6.500 5.332 5.320 5.341 . 0 0 "[ . 1]" 1
94 1 9 C H3' 1 10 C H6 3.900 2.200 5.000 2.845 2.736 2.949 . 0 0 "[ . 1]" 1
95 1 9 C H2' 1 10 C H6 2.100 . 2.400 2.245 2.215 2.266 . 0 0 "[ . 1]" 1
96 1 9 C H1' 1 10 C H6 4.300 . 5.300 4.935 4.874 4.996 . 0 0 "[ . 1]" 1
97 1 9 C H3' 1 10 C H5 3.900 2.200 5.000 3.469 3.401 3.584 . 0 0 "[ . 1]" 1
98 1 9 C H2' 1 10 C H5 3.900 2.200 5.000 4.104 4.047 4.169 . 0 0 "[ . 1]" 1
99 1 9 C H5 1 10 C H5 3.900 2.200 5.000 3.932 3.749 4.048 . 0 0 "[ . 1]" 1
100 1 9 C H6 1 10 C H5 4.000 . 4.500 3.927 3.773 4.058 . 0 0 "[ . 1]" 1
101 1 9 C H6 1 10 C H6 5.000 . 5.500 4.347 4.253 4.453 . 0 0 "[ . 1]" 1
102 1 9 C H2' 1 10 C H1' 4.300 . 5.300 3.664 3.581 3.728 . 0 0 "[ . 1]" 1
103 1 11 C H4' 1 11 C H6 4.100 . 5.000 4.000 3.973 4.034 . 0 0 "[ . 1]" 1
104 1 11 C H3' 1 11 C H6 3.500 2.300 4.700 2.551 2.508 2.592 . 0 0 "[ . 1]" 1
105 1 11 C H2' 1 11 C H6 4.000 . 4.800 3.829 3.806 3.850 . 0 0 "[ . 1]" 1
106 1 11 C H1' 1 11 C H6 4.000 . 4.800 3.591 3.583 3.595 . 0 0 "[ . 1]" 1
107 1 10 C H2' 1 11 C H6 2.100 . 2.400 2.166 2.137 2.205 . 0 0 "[ . 1]" 1
108 1 10 C H1' 1 11 C H6 4.300 . 5.300 4.781 4.745 4.813 . 0 0 "[ . 1]" 1
109 1 10 C H3' 1 11 C H5 3.900 2.200 5.000 3.696 3.645 3.727 . 0 0 "[ . 1]" 1
110 1 10 C H2' 1 11 C H5 3.900 2.200 5.000 3.702 3.657 3.733 . 0 0 "[ . 1]" 1
111 1 10 C H5 1 11 C H5 3.900 2.200 5.000 4.009 3.971 4.059 . 0 0 "[ . 1]" 1
112 1 10 C H6 1 11 C H5 4.000 . 4.200 4.279 4.237 4.316 0.116 7 0 "[ . 1]" 1
113 1 10 C H5 1 11 C H6 5.500 2.500 6.500 5.718 5.677 5.765 . 0 0 "[ . 1]" 1
114 1 10 C H6 1 11 C H6 4.000 . 5.000 4.949 4.908 4.989 . 0 0 "[ . 1]" 1
115 1 10 C H2' 1 11 C H1' 4.300 . 5.300 4.138 4.109 4.186 . 0 0 "[ . 1]" 1
116 1 12 C Q5' 1 12 C H6 5.000 . 6.000 3.380 3.274 3.464 . 0 0 "[ . 1]" 1
117 1 12 C H4' 1 12 C H6 4.100 . 5.000 4.031 3.962 4.083 . 0 0 "[ . 1]" 1
118 1 12 C H3' 1 12 C H6 3.000 . 4.000 2.667 2.546 2.742 . 0 0 "[ . 1]" 1
119 1 12 C H2' 1 12 C H6 4.000 . 4.800 3.762 3.714 3.846 . 0 0 "[ . 1]" 1
120 1 12 C H1' 1 12 C H6 4.000 . 4.800 3.593 3.589 3.598 . 0 0 "[ . 1]" 1
121 1 11 C H2' 1 12 C H6 2.100 . 2.400 2.170 2.143 2.199 . 0 0 "[ . 1]" 1
122 1 11 C H1' 1 12 C H6 4.300 . 5.300 4.779 4.759 4.801 . 0 0 "[ . 1]" 1
123 1 11 C H3' 1 12 C H5 3.900 2.200 5.000 3.813 3.676 3.907 . 0 0 "[ . 1]" 1
124 1 11 C H2' 1 12 C H5 3.900 2.200 5.000 3.767 3.678 3.823 . 0 0 "[ . 1]" 1
125 1 11 C H5 1 12 C H5 3.900 2.200 5.000 4.056 3.990 4.130 . 0 0 "[ . 1]" 1
126 1 11 C H6 1 12 C H5 4.000 . 5.100 4.364 4.325 4.446 . 0 0 "[ . 1]" 1
127 1 11 C H5 1 12 C H6 5.500 2.500 6.500 5.658 5.584 5.756 . 0 0 "[ . 1]" 1
128 1 11 C H6 1 12 C H6 5.000 . 6.000 4.907 4.854 4.970 . 0 0 "[ . 1]" 1
129 1 11 C H2' 1 12 C H1' 5.000 . 6.000 4.078 4.045 4.111 . 0 0 "[ . 1]" 1
130 1 13 U H4' 1 13 U H6 4.100 . 5.000 4.122 4.001 4.194 . 0 0 "[ . 1]" 1
131 1 13 U H3' 1 13 U H6 3.000 . 3.300 2.927 2.538 3.207 . 0 0 "[ . 1]" 1
132 1 13 U H2' 1 13 U H6 4.000 . 4.800 3.723 3.640 3.855 . 0 0 "[ . 1]" 1
133 1 13 U H1' 1 13 U H6 4.000 . 4.800 3.585 3.579 3.594 . 0 0 "[ . 1]" 1
134 1 13 U H2' 1 13 U H5 5.000 . 6.000 5.229 5.129 5.388 . 0 0 "[ . 1]" 1
135 1 13 U H1' 1 13 U H5 5.000 . 6.000 5.341 5.326 5.350 . 0 0 "[ . 1]" 1
136 1 12 C H4' 1 13 U H6 5.100 2.100 6.100 5.645 5.528 5.746 . 0 0 "[ . 1]" 1
137 1 12 C H3' 1 13 U H6 3.900 2.200 5.000 3.259 3.204 3.306 . 0 0 "[ . 1]" 1
138 1 12 C H2' 1 13 U H6 2.100 . 2.400 2.207 2.173 2.268 . 0 0 "[ . 1]" 1
139 1 12 C H1' 1 13 U H6 4.300 . 5.300 4.788 4.746 4.816 . 0 0 "[ . 1]" 1
140 1 12 C H2' 1 13 U H5 5.000 . 6.000 3.984 3.728 4.149 . 0 0 "[ . 1]" 1
141 1 12 C H1' 1 13 U H5 5.300 2.300 6.300 5.903 5.700 6.019 . 0 0 "[ . 1]" 1
142 1 12 C H5 1 13 U H5 3.900 2.200 5.000 3.889 3.739 4.132 . 0 0 "[ . 1]" 1
143 1 12 C H6 1 13 U H5 5.000 . 6.000 4.306 4.242 4.371 . 0 0 "[ . 1]" 1
144 1 12 C H6 1 13 U H6 5.000 . 6.000 4.643 4.484 4.910 . 0 0 "[ . 1]" 1
145 1 12 C H2' 1 13 U H1' 4.300 . 5.300 3.887 3.776 4.011 . 0 0 "[ . 1]" 1
146 1 14 G Q5' 1 14 G H8 4.100 . 5.000 3.249 2.236 3.638 . 0 0 "[ . 1]" 1
147 1 14 G H4' 1 14 G H8 4.100 . 5.000 4.189 3.994 4.357 . 0 0 "[ . 1]" 1
148 1 14 G H3' 1 14 G H8 3.200 . 3.900 2.650 2.455 2.917 . 0 0 "[ . 1]" 1
149 1 14 G H2' 1 14 G H8 4.100 . 5.000 3.866 3.749 4.011 . 0 0 "[ . 1]" 1
150 1 14 G H1' 1 14 G H8 4.000 . 4.800 3.803 3.760 3.818 . 0 0 "[ . 1]" 1
151 1 13 U H5'' 1 14 G H8 6.000 3.000 7.000 5.418 5.276 5.676 . 0 0 "[ . 1]" 1
152 1 13 U H4' 1 14 G H8 6.000 3.000 7.200 5.256 5.162 5.566 . 0 0 "[ . 1]" 1
153 1 13 U H3' 1 14 G H8 3.900 2.200 5.000 2.513 2.418 2.794 . 0 0 "[ . 1]" 1
154 1 13 U H2' 1 14 G H8 2.100 . 2.400 2.369 2.215 2.529 0.129 10 0 "[ . 1]" 1
155 1 13 U H1' 1 14 G H8 4.100 . 4.900 4.969 4.848 5.088 0.188 10 0 "[ . 1]" 1
156 1 13 U H5 1 14 G H8 5.000 . 6.000 5.036 4.675 5.351 . 0 0 "[ . 1]" 1
157 1 13 U H6 1 14 G H8 4.300 . 5.300 4.150 3.917 4.419 . 0 0 "[ . 1]" 1
158 1 13 U H2' 1 14 G H1' 4.000 . 5.800 3.774 3.614 3.963 . 0 0 "[ . 1]" 1
159 1 13 U H1' 1 14 G H1' 5.900 2.900 6.900 5.695 5.541 5.866 . 0 0 "[ . 1]" 1
160 1 15 C Q5' 1 15 C H6 6.000 3.000 7.000 3.031 2.958 3.113 0.042 1 0 "[ . 1]" 1
161 1 15 C H4' 1 15 C H6 4.100 . 5.000 4.140 3.968 4.303 . 0 0 "[ . 1]" 1
162 1 15 C H3' 1 15 C H6 3.000 . 4.000 3.062 2.597 3.592 . 0 0 "[ . 1]" 1
163 1 15 C H2' 1 15 C H6 4.000 . 4.800 2.382 2.187 2.646 . 0 0 "[ . 1]" 1
164 1 15 C H1' 1 15 C H6 4.000 . 4.800 3.738 3.724 3.760 . 0 0 "[ . 1]" 1
165 1 15 C H4' 1 15 C H5 6.000 3.000 7.000 6.444 6.331 6.582 . 0 0 "[ . 1]" 1
166 1 15 C H3' 1 15 C H5 6.000 3.000 7.000 5.422 4.912 5.996 . 0 0 "[ . 1]" 1
167 1 15 C H2' 1 15 C H5 5.000 . 6.000 4.361 4.229 4.488 . 0 0 "[ . 1]" 1
168 1 15 C H1' 1 15 C H5 5.000 . 6.000 5.442 5.421 5.458 . 0 0 "[ . 1]" 1
169 1 14 G H5'' 1 15 C H6 6.000 3.000 7.000 5.752 5.610 5.923 . 0 0 "[ . 1]" 1
170 1 14 G H5' 1 15 C H6 6.000 3.000 7.000 6.615 5.516 6.849 . 0 0 "[ . 1]" 1
171 1 14 G H4' 1 15 C H6 5.000 3.000 6.000 4.821 4.710 4.894 . 0 0 "[ . 1]" 1
172 1 14 G H3' 1 15 C H6 5.000 3.000 6.000 3.650 3.434 3.901 . 0 0 "[ . 1]" 1
173 1 14 G H2' 1 15 C H6 3.200 . 4.200 2.694 2.594 2.787 . 0 0 "[ . 1]" 1
174 1 14 G H1' 1 15 C H6 4.100 . 5.100 5.087 4.882 5.304 0.204 8 0 "[ . 1]" 1
175 1 14 G H4' 1 15 C H5 6.000 3.000 7.000 4.361 4.060 4.657 . 0 0 "[ . 1]" 1
176 1 14 G H3' 1 15 C H5 4.100 . 5.100 4.804 4.611 4.886 . 0 0 "[ . 1]" 1
177 1 14 G H2' 1 15 C H5 4.200 2.100 5.300 4.017 3.772 4.223 . 0 0 "[ . 1]" 1
178 1 14 G H1' 1 15 C H5 5.000 . 6.000 5.393 5.040 5.792 . 0 0 "[ . 1]" 1
179 1 14 G H8 1 15 C H5 6.000 4.000 7.000 7.149 7.086 7.234 0.234 7 0 "[ . 1]" 1
180 1 14 G H8 1 15 C H6 6.000 4.000 7.000 6.024 5.858 6.251 . 0 0 "[ . 1]" 1
181 1 14 G H2' 1 15 C H1' 4.300 . 5.800 5.237 5.017 5.559 . 0 0 "[ . 1]" 1
182 1 14 G H8 1 15 C H2' 6.000 4.000 7.000 5.942 5.363 6.688 . 0 0 "[ . 1]" 1
183 1 16 A Q5' 1 16 A H8 4.100 . 5.000 3.751 3.478 4.138 . 0 0 "[ . 1]" 1
184 1 16 A H4' 1 16 A H8 4.100 . 5.000 4.593 4.403 4.790 . 0 0 "[ . 1]" 1
185 1 16 A H3' 1 16 A H8 3.200 . 3.900 3.597 2.990 3.922 0.022 1 0 "[ . 1]" 1
186 1 16 A H2' 1 16 A H8 4.100 . 5.000 3.203 2.541 3.887 . 0 0 "[ . 1]" 1
187 1 16 A H1' 1 16 A H8 4.000 . 4.800 3.836 3.745 3.926 . 0 0 "[ . 1]" 1
188 1 14 G H2' 1 16 A H8 6.000 4.000 7.000 4.187 3.860 4.576 0.140 6 0 "[ . 1]" 1
189 1 14 G H1' 1 16 A H8 5.500 2.500 7.000 5.635 5.197 5.963 . 0 0 "[ . 1]" 1
190 1 15 C H4' 1 16 A H8 4.300 . 5.300 5.495 5.425 5.653 0.353 10 0 "[ . 1]" 1
191 1 15 C H3' 1 16 A H8 4.300 . 5.300 4.081 3.634 4.519 . 0 0 "[ . 1]" 1
192 1 15 C H2' 1 16 A H8 4.300 . 5.200 2.457 2.236 2.647 . 0 0 "[ . 1]" 1
193 1 15 C H1' 1 16 A H8 4.500 . 5.500 3.432 2.683 4.321 . 0 0 "[ . 1]" 1
194 1 15 C H5 1 16 A H8 6.000 4.000 7.000 6.132 5.241 6.474 . 0 0 "[ . 1]" 1
195 1 15 C H6 1 16 A H8 4.500 . 5.500 4.606 4.023 4.873 . 0 0 "[ . 1]" 1
196 1 15 C H2' 1 16 A H1' 5.000 . 6.000 5.869 5.498 6.112 0.112 10 0 "[ . 1]" 1
197 1 15 C H1' 1 16 A H1' 6.000 3.000 7.000 4.871 4.256 6.039 . 0 0 "[ . 1]" 1
198 1 17 U Q5' 1 17 U H6 6.000 3.000 7.000 3.304 2.800 3.898 0.200 5 0 "[ . 1]" 1
199 1 17 U H4' 1 17 U H6 4.100 . 5.600 4.325 4.219 4.562 . 0 0 "[ . 1]" 1
200 1 17 U H3' 1 17 U H6 4.000 2.800 5.500 4.509 4.128 4.768 . 0 0 "[ . 1]" 1
201 1 17 U H2' 1 17 U H6 4.000 . 5.500 3.001 2.284 3.453 . 0 0 "[ . 1]" 1
202 1 17 U H1' 1 17 U H6 4.000 . 5.500 3.637 3.553 3.762 . 0 0 "[ . 1]" 1
203 1 17 U H2' 1 17 U H5 6.000 3.000 7.000 4.847 4.369 5.104 . 0 0 "[ . 1]" 1
204 1 17 U H1' 1 17 U H5 6.000 3.000 7.000 5.385 5.327 5.458 . 0 0 "[ . 1]" 1
205 1 15 C H1' 1 17 U H5 5.000 . 6.000 6.129 5.656 6.363 0.363 6 0 "[ . 1]" 1
206 1 16 A H3' 1 17 U H6 5.000 . 6.000 4.873 4.527 5.478 . 0 0 "[ . 1]" 1
207 1 16 A H2' 1 17 U H6 5.000 . 6.000 3.921 2.782 5.127 . 0 0 "[ . 1]" 1
208 1 16 A H1' 1 17 U H6 4.000 . 5.000 2.697 2.275 3.363 . 0 0 "[ . 1]" 1
209 1 16 A H2' 1 17 U H5 5.000 3.000 6.000 5.015 4.247 6.139 0.139 5 0 "[ . 1]" 1
210 1 16 A H8 1 17 U H5 6.000 5.000 7.000 6.107 5.616 6.523 . 0 0 "[ . 1]" 1
211 1 16 A H8 1 17 U H6 6.000 5.000 7.000 6.194 5.592 6.805 . 0 0 "[ . 1]" 1
212 1 18 A Q5' 1 18 A H8 4.100 . 5.000 3.967 3.021 4.115 . 0 0 "[ . 1]" 1
213 1 18 A H4' 1 18 A H8 4.100 . 5.000 4.588 4.487 4.617 . 0 0 "[ . 1]" 1
214 1 18 A H3' 1 18 A H8 4.100 3.100 5.100 3.406 3.310 3.566 . 0 0 "[ . 1]" 1
215 1 18 A H2' 1 18 A H8 4.100 . 5.000 3.838 3.734 4.090 . 0 0 "[ . 1]" 1
216 1 18 A H1' 1 18 A H8 4.000 . 4.800 3.769 3.705 3.796 . 0 0 "[ . 1]" 1
217 1 16 A H3' 1 18 A H8 5.000 . 6.000 5.693 4.978 6.245 0.245 10 0 "[ . 1]" 1
218 1 16 A H2' 1 18 A H8 4.100 . 5.100 3.991 3.657 4.139 . 0 0 "[ . 1]" 1
219 1 16 A H1' 1 18 A H8 5.200 . 6.200 5.555 4.467 6.572 0.372 9 0 "[ . 1]" 1
220 1 16 A H8 1 18 A H8 5.000 . 6.000 5.514 5.034 5.934 . 0 0 "[ . 1]" 1
221 1 19 A Q5' 1 19 A H8 4.100 . 5.000 3.669 3.591 3.751 . 0 0 "[ . 1]" 1
222 1 19 A H4' 1 19 A H8 4.100 . 5.000 4.373 4.336 4.416 . 0 0 "[ . 1]" 1
223 1 19 A H3' 1 19 A H8 3.200 . 3.900 2.986 2.931 3.071 . 0 0 "[ . 1]" 1
224 1 19 A H2' 1 19 A H8 4.100 . 5.000 3.830 3.789 3.861 . 0 0 "[ . 1]" 1
225 1 19 A H1' 1 19 A H8 4.000 . 4.800 3.792 3.784 3.800 . 0 0 "[ . 1]" 1
226 1 18 A H5' 1 19 A H8 6.000 3.000 7.000 6.272 5.301 6.482 . 0 0 "[ . 1]" 1
227 1 18 A H3' 1 19 A H8 3.900 2.200 5.000 2.734 2.461 2.836 . 0 0 "[ . 1]" 1
228 1 18 A H2' 1 19 A H8 2.100 . 2.400 2.192 2.118 2.273 . 0 0 "[ . 1]" 1
229 1 18 A H1' 1 19 A H8 5.000 . 6.000 4.845 4.767 4.889 . 0 0 "[ . 1]" 1
230 1 18 A H2' 1 19 A H1' 5.000 . 6.000 3.735 3.653 3.813 . 0 0 "[ . 1]" 1
231 1 18 A H1' 1 19 A H1' 4.100 . 5.100 5.451 5.371 5.560 0.460 10 0 "[ . 1]" 1
232 1 18 A H2' 1 19 A H3' 4.300 . 5.300 4.029 3.964 4.079 . 0 0 "[ . 1]" 1
233 1 18 A H2' 1 19 A H5'' 5.000 3.000 6.000 4.056 3.895 4.164 . 0 0 "[ . 1]" 1
234 1 18 A H2' 1 19 A H5' 4.300 . 5.300 2.682 2.500 2.818 . 0 0 "[ . 1]" 1
235 1 18 A H1' 1 19 A H5' 4.300 . 5.300 4.358 4.295 4.422 . 0 0 "[ . 1]" 1
236 1 20 G Q5' 1 20 G H8 4.100 . 5.000 3.850 3.794 3.929 . 0 0 "[ . 1]" 1
237 1 20 G H4' 1 20 G H8 4.100 . 5.000 4.466 4.436 4.505 . 0 0 "[ . 1]" 1
238 1 20 G H2' 1 20 G H8 4.100 . 5.100 3.860 3.826 3.893 . 0 0 "[ . 1]" 1
239 1 20 G H1' 1 20 G H8 4.000 . 4.800 3.767 3.764 3.771 . 0 0 "[ . 1]" 1
240 1 19 A H3' 1 20 G H8 3.900 2.200 5.000 3.380 3.302 3.492 . 0 0 "[ . 1]" 1
241 1 19 A H2' 1 20 G H8 2.100 . 2.400 2.074 2.015 2.121 . 0 0 "[ . 1]" 1
242 1 19 A H1' 1 20 G H8 4.300 . 5.300 4.641 4.618 4.677 . 0 0 "[ . 1]" 1
243 1 19 A H8 1 20 G H8 4.300 . 5.300 4.620 4.551 4.684 . 0 0 "[ . 1]" 1
244 1 21 G Q5' 1 21 G H8 4.100 . 5.000 3.922 3.837 4.010 . 0 0 "[ . 1]" 1
245 1 21 G H4' 1 21 G H8 4.100 . 5.000 4.498 4.453 4.542 . 0 0 "[ . 1]" 1
246 1 21 G H3' 1 21 G H8 3.200 . 3.900 3.395 3.267 3.512 . 0 0 "[ . 1]" 1
247 1 21 G H2' 1 21 G H8 4.100 . 5.000 3.710 3.626 3.771 . 0 0 "[ . 1]" 1
248 1 21 G H1' 1 21 G H8 4.000 . 4.800 3.786 3.774 3.803 . 0 0 "[ . 1]" 1
249 1 20 G H4' 1 21 G H8 4.300 . 5.300 5.647 5.614 5.710 0.410 3 0 "[ . 1]" 1
250 1 20 G H2' 1 21 G H8 2.100 . 2.400 1.990 1.960 2.028 . 0 0 "[ . 1]" 1
251 1 20 G H1' 1 21 G H8 4.300 . 5.300 4.479 4.427 4.536 . 0 0 "[ . 1]" 1
252 1 20 G H8 1 21 G H8 4.300 . 5.300 4.507 4.402 4.635 . 0 0 "[ . 1]" 1
253 1 22 A Q5' 1 22 A H8 4.100 . 5.000 4.185 4.118 4.238 . 0 0 "[ . 1]" 1
254 1 22 A H4' 1 22 A H8 4.100 . 5.000 4.605 4.573 4.630 . 0 0 "[ . 1]" 1
255 1 22 A H3' 1 22 A H8 3.200 . 3.900 3.781 3.718 3.831 . 0 0 "[ . 1]" 1
256 1 22 A H2' 1 22 A H8 4.100 . 5.000 3.705 3.645 3.763 . 0 0 "[ . 1]" 1
257 1 22 A H1' 1 22 A H8 4.000 . 4.800 3.761 3.742 3.775 . 0 0 "[ . 1]" 1
258 1 21 G H4' 1 22 A H8 4.300 . 5.800 5.823 5.785 5.855 0.055 3 0 "[ . 1]" 1
259 1 21 G H3' 1 22 A H8 3.900 2.200 5.000 3.882 3.793 4.036 . 0 0 "[ . 1]" 1
260 1 21 G H2' 1 22 A H8 2.100 . 2.400 2.033 1.992 2.064 . 0 0 "[ . 1]" 1
261 1 21 G H1' 1 22 A H8 4.300 . 5.300 4.406 4.354 4.441 . 0 0 "[ . 1]" 1
262 1 21 G H8 1 22 A H8 4.300 . 5.300 4.613 4.551 4.738 . 0 0 "[ . 1]" 1
263 1 21 G H2' 1 22 A H1' 4.300 . 5.300 4.434 4.292 4.683 . 0 0 "[ . 1]" 1
264 1 21 G H1' 1 22 A H1' 4.300 . 5.300 5.360 5.299 5.449 0.149 3 0 "[ . 1]" 1
265 1 23 U H4' 1 23 U H6 4.100 . 5.000 3.981 3.944 3.997 . 0 0 "[ . 1]" 1
266 1 23 U H3' 1 23 U H6 3.000 . 3.300 2.657 2.585 2.730 . 0 0 "[ . 1]" 1
267 1 23 U H2' 1 23 U H6 4.000 . 4.800 3.752 3.721 3.784 . 0 0 "[ . 1]" 1
268 1 23 U H1' 1 23 U H6 4.000 . 4.800 3.604 3.593 3.610 . 0 0 "[ . 1]" 1
269 1 22 A H3' 1 23 U H6 3.900 2.200 5.000 4.042 4.007 4.061 . 0 0 "[ . 1]" 1
270 1 22 A H2' 1 23 U H6 2.100 . 2.400 2.218 2.205 2.232 . 0 0 "[ . 1]" 1
271 1 22 A H1' 1 23 U H6 4.300 . 5.300 3.825 3.782 3.875 . 0 0 "[ . 1]" 1
272 1 22 A H2' 1 23 U H5 3.900 2.200 5.000 2.201 2.175 2.234 0.025 5 0 "[ . 1]" 1
273 1 22 A H8 1 23 U H6 5.000 2.800 5.500 5.797 5.749 5.878 0.378 8 0 "[ . 1]" 1
274 1 22 A H2' 1 23 U H1' 4.300 . 5.300 5.332 5.264 5.371 0.071 10 0 "[ . 1]" 1
275 1 24 G Q5' 1 24 G H8 4.100 . 5.000 3.906 3.827 3.991 . 0 0 "[ . 1]" 1
276 1 24 G H4' 1 24 G H8 4.100 . 5.000 4.513 4.466 4.553 . 0 0 "[ . 1]" 1
277 1 24 G H3' 1 24 G H8 3.200 . 3.900 3.357 3.257 3.468 . 0 0 "[ . 1]" 1
278 1 24 G H2' 1 24 G H8 4.100 . 5.000 3.723 3.676 3.759 . 0 0 "[ . 1]" 1
279 1 24 G H1' 1 24 G H8 4.000 . 4.800 3.786 3.777 3.792 . 0 0 "[ . 1]" 1
280 1 23 U H4' 1 24 G H8 4.300 . 5.300 5.427 5.396 5.485 0.185 2 0 "[ . 1]" 1
281 1 23 U H3' 1 24 G H8 3.900 2.200 5.000 2.989 2.939 3.065 . 0 0 "[ . 1]" 1
282 1 23 U H2' 1 24 G H8 2.100 . 2.400 2.040 2.018 2.059 . 0 0 "[ . 1]" 1
283 1 23 U H1' 1 24 G H8 5.000 3.000 6.000 4.329 4.284 4.378 . 0 0 "[ . 1]" 1
284 1 23 U H6 1 24 G H8 5.000 3.000 5.500 3.982 3.904 4.078 . 0 0 "[ . 1]" 1
285 1 23 U H2' 1 24 G H1' 4.300 . 5.300 3.922 3.825 4.035 . 0 0 "[ . 1]" 1
286 1 25 A H3' 1 25 A H8 3.200 . 3.900 3.472 3.437 3.498 . 0 0 "[ . 1]" 1
287 1 25 A H2' 1 25 A H8 4.100 . 6.000 3.972 3.951 4.012 . 0 0 "[ . 1]" 1
288 1 25 A H1' 1 25 A H8 4.000 . 4.800 3.698 3.689 3.701 . 0 0 "[ . 1]" 1
289 1 24 G H4' 1 25 A H8 4.300 . 5.300 5.623 5.600 5.651 0.351 3 0 "[ . 1]" 1
290 1 24 G H3' 1 25 A H8 3.900 2.200 5.000 3.383 3.252 3.509 . 0 0 "[ . 1]" 1
291 1 24 G H2' 1 25 A H8 2.100 . 2.400 1.937 1.891 1.990 . 0 0 "[ . 1]" 1
292 1 24 G H1' 1 25 A H8 4.300 . 5.300 4.532 4.505 4.555 . 0 0 "[ . 1]" 1
293 1 24 G H8 1 25 A H8 4.300 . 5.300 4.346 4.252 4.481 . 0 0 "[ . 1]" 1
294 1 24 G H1' 1 25 A H1' 5.500 2.500 6.500 4.502 4.433 4.592 . 0 0 "[ . 1]" 1
295 1 26 A H3' 1 26 A H8 3.200 . 3.900 3.242 3.210 3.279 . 0 0 "[ . 1]" 1
296 1 26 A H2' 1 26 A H8 4.100 . 5.000 3.610 3.594 3.641 . 0 0 "[ . 1]" 1
297 1 26 A H1' 1 26 A H8 4.000 . 4.800 3.814 3.807 3.826 . 0 0 "[ . 1]" 1
298 1 25 A H5' 1 26 A H8 6.000 3.000 7.000 6.961 6.902 7.022 0.022 3 0 "[ . 1]" 1
299 1 25 A H3' 1 26 A H8 3.900 2.200 5.000 3.401 3.344 3.461 . 0 0 "[ . 1]" 1
300 1 25 A H2' 1 26 A H8 3.000 . 4.000 2.178 2.130 2.210 . 0 0 "[ . 1]" 1
301 1 25 A H1' 1 26 A H8 3.900 2.200 5.000 4.732 4.701 4.763 . 0 0 "[ . 1]" 1
302 1 25 A H2' 1 26 A H1' 4.300 . 5.300 4.322 4.261 4.376 . 0 0 "[ . 1]" 1
303 1 25 A H1' 1 26 A H5' 5.000 . 6.000 4.798 4.788 4.805 . 0 0 "[ . 1]" 1
304 1 27 C Q5' 1 27 C H6 6.000 3.000 7.000 3.457 3.429 3.475 . 0 0 "[ . 1]" 1
305 1 27 C H4' 1 27 C H6 4.100 . 5.000 4.104 4.080 4.121 . 0 0 "[ . 1]" 1
306 1 27 C H3' 1 27 C H6 3.000 . 3.300 2.567 2.524 2.601 . 0 0 "[ . 1]" 1
307 1 27 C H2' 1 27 C H6 4.000 . 4.800 3.834 3.814 3.857 . 0 0 "[ . 1]" 1
308 1 27 C H1' 1 27 C H6 4.000 . 4.800 3.573 3.565 3.589 . 0 0 "[ . 1]" 1
309 1 26 A H3' 1 27 C H6 3.900 2.200 5.000 3.657 3.613 3.705 . 0 0 "[ . 1]" 1
310 1 26 A H2' 1 27 C H6 2.100 . 3.400 1.843 1.813 1.862 . 0 0 "[ . 1]" 1
311 1 26 A H1' 1 27 C H6 4.300 . 5.300 4.413 4.383 4.440 . 0 0 "[ . 1]" 1
312 1 26 A H3' 1 27 C H5 3.900 2.200 5.000 4.105 4.078 4.148 . 0 0 "[ . 1]" 1
313 1 26 A H2' 1 27 C H5 3.900 2.200 5.000 3.075 3.015 3.123 . 0 0 "[ . 1]" 1
314 1 26 A H1' 1 27 C H5 4.300 . 5.300 5.597 5.529 5.647 0.347 6 0 "[ . 1]" 1
315 1 26 A H8 1 27 C H5 4.300 . 5.300 4.512 4.417 4.578 . 0 0 "[ . 1]" 1
316 1 26 A H8 1 27 C H6 4.300 . 5.300 5.110 5.053 5.199 . 0 0 "[ . 1]" 1
317 1 26 A H3' 1 27 C H1' 5.500 2.500 6.500 6.507 6.454 6.574 0.074 7 0 "[ . 1]" 1
318 1 26 A H2' 1 27 C H1' 4.300 . 5.300 4.241 4.196 4.304 . 0 0 "[ . 1]" 1
319 1 26 A H1' 1 27 C H1' 4.300 . 5.300 4.779 4.728 4.820 . 0 0 "[ . 1]" 1
320 1 28 C Q5' 1 28 C H6 6.000 3.000 7.000 3.351 3.324 3.392 . 0 0 "[ . 1]" 1
321 1 28 C H3' 1 28 C H6 3.000 . 3.300 2.586 2.557 2.612 . 0 0 "[ . 1]" 1
322 1 28 C H2' 1 28 C H6 4.000 . 4.800 3.429 3.391 3.501 . 0 0 "[ . 1]" 1
323 1 28 C H1' 1 28 C H6 4.000 . 4.800 3.669 3.664 3.675 . 0 0 "[ . 1]" 1
324 1 27 C H4' 1 28 C H6 5.000 2.200 6.000 5.692 5.653 5.744 . 0 0 "[ . 1]" 1
325 1 27 C H2' 1 28 C H6 2.100 . 2.400 2.325 2.284 2.389 . 0 0 "[ . 1]" 1
326 1 27 C H1' 1 28 C H6 4.300 . 5.300 4.901 4.857 4.940 . 0 0 "[ . 1]" 1
327 1 27 C H5 1 28 C H5 3.900 2.200 5.000 3.528 3.411 3.657 . 0 0 "[ . 1]" 1
328 1 27 C H5 1 28 C H6 5.500 2.500 6.500 5.491 5.408 5.613 . 0 0 "[ . 1]" 1
329 1 27 C H6 1 28 C H5 4.300 . 5.300 3.851 3.765 3.900 . 0 0 "[ . 1]" 1
330 1 27 C H6 1 28 C H6 4.300 . 5.300 4.770 4.698 4.840 . 0 0 "[ . 1]" 1
331 1 29 G H2' 1 29 G H8 4.100 . 5.000 3.779 3.751 3.813 . 0 0 "[ . 1]" 1
332 1 29 G H1' 1 29 G H8 4.000 . 4.800 3.785 3.780 3.790 . 0 0 "[ . 1]" 1
333 1 28 C H1' 1 29 G H8 4.180 . 5.080 4.373 4.352 4.390 . 0 0 "[ . 1]" 1
334 1 28 C H6 1 29 G H8 5.000 . 6.000 4.453 4.391 4.497 . 0 0 "[ . 1]" 1
335 1 30 U H4' 1 30 U H6 4.100 . 5.000 4.166 4.150 4.189 . 0 0 "[ . 1]" 1
336 1 30 U H3' 1 30 U H6 3.000 . 3.300 2.877 2.827 2.927 . 0 0 "[ . 1]" 1
337 1 30 U H2' 1 30 U H6 4.000 . 4.800 3.669 3.638 3.686 . 0 0 "[ . 1]" 1
338 1 30 U H1' 1 30 U H6 4.000 . 4.800 3.585 3.581 3.593 . 0 0 "[ . 1]" 1
339 1 29 G H2' 1 30 U H6 2.000 . 2.800 1.954 1.933 1.967 . 0 0 "[ . 1]" 1
340 1 29 G H1' 1 30 U H6 4.100 . 5.000 4.690 4.662 4.712 . 0 0 "[ . 1]" 1
341 1 29 G H2' 1 30 U H5 3.200 . 3.900 3.759 3.703 3.808 . 0 0 "[ . 1]" 1
342 1 29 G H1' 1 30 U H5 5.000 . 6.000 6.014 5.954 6.038 0.038 7 0 "[ . 1]" 1
343 1 29 G H8 1 30 U H5 4.000 . 4.800 4.216 4.177 4.261 . 0 0 "[ . 1]" 1
344 1 29 G H8 1 30 U H6 5.000 . 6.000 4.620 4.523 4.672 . 0 0 "[ . 1]" 1
345 1 31 U H4' 1 31 U H6 4.100 . 5.000 4.111 4.092 4.133 . 0 0 "[ . 1]" 1
346 1 31 U H3' 1 31 U H6 3.000 . 3.300 2.796 2.769 2.825 . 0 0 "[ . 1]" 1
347 1 31 U H2' 1 31 U H6 4.000 . 4.800 3.670 3.658 3.698 . 0 0 "[ . 1]" 1
348 1 31 U H1' 1 31 U H6 4.000 . 4.800 3.608 3.603 3.611 . 0 0 "[ . 1]" 1
349 1 30 U H2' 1 31 U H6 2.000 . 2.800 1.869 1.847 1.882 . 0 0 "[ . 1]" 1
350 1 30 U H1' 1 31 U H6 4.100 . 5.000 4.565 4.527 4.596 . 0 0 "[ . 1]" 1
351 1 30 U H5 1 31 U H5 4.000 . 4.800 3.976 3.883 4.104 . 0 0 "[ . 1]" 1
352 1 30 U H6 1 31 U H5 4.000 . 4.800 4.081 4.009 4.174 . 0 0 "[ . 1]" 1
353 1 32 C H4' 1 32 C H6 4.100 . 5.000 4.210 4.188 4.226 . 0 0 "[ . 1]" 1
354 1 32 C H3' 1 32 C H6 3.000 . 3.300 2.981 2.952 3.002 . 0 0 "[ . 1]" 1
355 1 32 C H2' 1 32 C H6 4.000 . 4.800 3.575 3.557 3.598 . 0 0 "[ . 1]" 1
356 1 32 C H1' 1 32 C H6 4.000 . 4.800 3.609 3.600 3.615 . 0 0 "[ . 1]" 1
357 1 31 U H2' 1 32 C H6 2.000 . 2.800 2.046 2.010 2.081 . 0 0 "[ . 1]" 1
358 1 31 U H1' 1 32 C H6 4.100 . 5.000 4.642 4.611 4.680 . 0 0 "[ . 1]" 1
359 1 31 U H6 1 32 C H5 4.000 . 4.800 4.165 4.096 4.268 . 0 0 "[ . 1]" 1
360 1 31 U H5 1 32 C H6 5.500 2.500 6.500 5.389 5.313 5.507 . 0 0 "[ . 1]" 1
361 1 31 U H6 1 32 C H6 5.000 . 6.000 4.678 4.627 4.757 . 0 0 "[ . 1]" 1
362 1 2 A H2 1 3 G H1' 4.000 . 4.900 3.911 3.787 3.984 . 0 0 "[ . 1]" 1
363 1 2 A H2 1 32 C H1' 4.100 . 6.000 4.135 3.924 4.290 . 0 0 "[ . 1]" 1
364 1 5 A H2 1 6 G H1' 4.100 . 6.000 3.127 3.080 3.178 . 0 0 "[ . 1]" 1
365 1 5 A H2 1 29 G H1' 4.100 . 6.000 4.084 4.032 4.152 . 0 0 "[ . 1]" 1
366 1 5 A H2 1 29 G H2' 4.500 . 6.400 6.507 6.460 6.562 0.162 5 0 "[ . 1]" 1
367 1 16 A H2 1 17 U H1' 4.100 . 5.000 5.058 4.648 5.349 0.349 3 0 "[ . 1]" 1
368 1 16 A H2 1 17 U H6 5.500 3.500 6.500 5.190 4.067 5.869 . 0 0 "[ . 1]" 1
369 1 14 G H1' 1 18 A H2 5.000 2.200 6.000 6.155 6.099 6.213 0.213 10 0 "[ . 1]" 1
370 1 14 G H2' 1 18 A H2 5.000 . 7.000 7.175 7.054 7.273 0.273 2 0 "[ . 1]" 1
371 1 16 A H2 1 18 A H2 5.500 2.500 6.700 6.812 6.610 6.957 0.257 4 0 "[ . 1]" 1
372 1 18 A H2 1 19 A H1' 3.900 2.200 5.000 3.517 2.950 3.730 . 0 0 "[ . 1]" 1
373 1 14 G H1' 1 19 A H2 4.100 . 5.000 3.827 3.608 4.021 . 0 0 "[ . 1]" 1
374 1 11 C H1' 1 22 A H2 4.100 . 5.000 3.653 3.515 3.725 . 0 0 "[ . 1]" 1
375 1 22 A H2 1 23 U H1' 5.000 2.800 6.000 3.964 3.875 4.069 . 0 0 "[ . 1]" 1
376 1 8 U H1' 1 25 A H2 5.000 2.200 6.100 5.562 5.527 5.607 . 0 0 "[ . 1]" 1
377 1 9 C H1' 1 25 A H2 4.100 . 5.000 3.266 3.195 3.326 . 0 0 "[ . 1]" 1
378 1 9 C H2' 1 25 A H2 4.100 . 6.000 5.609 5.565 5.644 . 0 0 "[ . 1]" 1
379 1 9 C H6 1 25 A H2 5.000 . 6.000 5.420 5.388 5.459 . 0 0 "[ . 1]" 1
380 1 25 A H2 1 26 A H1' 4.000 . 5.100 3.792 3.766 3.833 . 0 0 "[ . 1]" 1
381 1 7 U H1' 1 26 A H2 5.000 2.200 6.100 5.261 5.209 5.326 . 0 0 "[ . 1]" 1
382 1 8 U H1' 1 26 A H2 4.100 . 5.000 3.297 3.224 3.351 . 0 0 "[ . 1]" 1
383 1 26 A H2 1 27 C H1' 4.000 . 5.000 3.388 3.348 3.450 . 0 0 "[ . 1]" 1
384 1 3 G H1 1 29 G H1 4.300 . 5.300 3.579 3.558 3.601 . 0 0 "[ . 1]" 1
385 1 3 G H1 1 30 U H3 2.500 2.300 3.300 2.164 2.153 2.177 0.147 10 0 "[ . 1]" 1
386 1 3 G H1 1 31 U H3 4.300 . 5.300 4.030 3.969 4.129 . 0 0 "[ . 1]" 1
387 1 5 A H2 1 6 G H1 5.000 2.200 6.000 5.706 5.648 5.772 . 0 0 "[ . 1]" 1
388 1 6 G H1 1 7 U H3 4.300 . 5.300 3.374 3.340 3.411 . 0 0 "[ . 1]" 1
389 1 6 G H1 1 27 C H1' 5.500 2.500 6.500 5.085 5.054 5.112 . 0 0 "[ . 1]" 1
390 1 6 G H1 1 27 C H5 4.300 . 5.300 5.155 5.133 5.175 . 0 0 "[ . 1]" 1
391 1 6 G H21 1 7 U H3 5.000 2.200 6.000 4.244 4.195 4.289 . 0 0 "[ . 1]" 1
392 1 7 U H3 1 7 U H5 4.200 4.100 4.300 4.209 4.208 4.210 . 0 0 "[ . 1]" 1
393 1 7 U H3 1 8 U H3 4.300 . 5.300 3.698 3.666 3.715 . 0 0 "[ . 1]" 1
394 1 7 U H3 1 8 U H6 5.500 2.500 6.500 4.584 4.541 4.621 . 0 0 "[ . 1]" 1
395 1 7 U H3 1 25 A H2 5.000 2.200 6.000 6.084 6.067 6.104 0.104 6 0 "[ . 1]" 1
396 1 7 U H3 1 26 A H2 3.000 . 3.300 2.865 2.829 2.892 . 0 0 "[ . 1]" 1
397 1 7 U H3 1 26 A H61 2.200 . 2.400 2.437 2.409 2.475 0.075 5 0 "[ . 1]" 1
398 1 7 U H3 1 26 A H62 4.000 . 4.800 3.941 3.913 3.972 . 0 0 "[ . 1]" 1
399 1 8 U H3 1 8 U H5 4.200 4.100 4.300 4.210 4.208 4.212 . 0 0 "[ . 1]" 1
400 1 8 U H3 1 9 C H1' 5.000 2.200 6.000 4.810 4.717 4.882 . 0 0 "[ . 1]" 1
401 1 8 U H3 1 9 C H41 4.300 . 5.300 4.495 4.400 4.589 . 0 0 "[ . 1]" 1
402 1 8 U H3 1 9 C H42 4.300 . 5.300 4.627 4.511 4.743 . 0 0 "[ . 1]" 1
403 1 8 U H3 1 9 C H6 5.500 2.500 6.500 4.774 4.710 4.826 . 0 0 "[ . 1]" 1
404 1 8 U H3 1 24 G H1 4.300 . 5.300 4.480 4.452 4.503 . 0 0 "[ . 1]" 1
405 1 8 U H3 1 25 A H2 3.000 . 3.300 2.970 2.945 2.986 . 0 0 "[ . 1]" 1
406 1 8 U H3 1 25 A H61 2.200 . 2.400 2.390 2.355 2.426 0.026 8 0 "[ . 1]" 1
407 1 8 U H3 1 25 A H62 4.000 . 4.800 3.937 3.905 3.968 . 0 0 "[ . 1]" 1
408 1 8 U H3 1 26 A H2 5.000 2.200 6.000 3.646 3.603 3.673 . 0 0 "[ . 1]" 1
409 1 12 C H42 1 13 U H3 5.000 2.200 6.000 5.333 5.166 5.555 . 0 0 "[ . 1]" 1
410 1 12 C H41 1 13 U H3 5.000 2.200 6.000 4.214 4.048 4.431 . 0 0 "[ . 1]" 1
411 1 13 U H3 1 13 U H5 4.200 4.100 4.300 4.210 4.208 4.211 . 0 0 "[ . 1]" 1
412 1 13 U H3 1 19 A H2 3.000 . 3.300 3.322 3.249 3.362 0.062 1 0 "[ . 1]" 1
413 1 13 U H3 1 19 A H61 2.200 . 2.400 1.911 1.840 2.070 . 0 0 "[ . 1]" 1
414 1 13 U H3 1 19 A H62 4.000 . 4.800 3.511 3.444 3.665 . 0 0 "[ . 1]" 1
415 1 13 U H3 1 20 G H1 4.300 . 5.300 3.533 3.503 3.571 . 0 0 "[ . 1]" 1
416 1 12 C H41 1 20 G H1 2.200 . 2.400 2.496 2.435 2.542 0.142 7 0 "[ . 1]" 1
417 1 12 C H42 1 20 G H1 4.000 . 4.800 4.025 3.973 4.064 . 0 0 "[ . 1]" 1
418 1 19 A H2 1 20 G H1 5.000 2.200 7.000 5.417 5.353 5.470 . 0 0 "[ . 1]" 1
419 1 20 G H1 1 21 G H1' 5.000 2.200 6.000 5.455 5.401 5.487 . 0 0 "[ . 1]" 1
420 1 20 G H1 1 21 G H1 4.300 . 5.300 4.042 4.011 4.069 . 0 0 "[ . 1]" 1
421 1 11 C H41 1 21 G H1 2.200 . 2.700 2.709 2.663 2.749 0.049 4 0 "[ . 1]" 1
422 1 11 C H42 1 21 G H1 4.000 . 5.800 4.207 4.171 4.240 . 0 0 "[ . 1]" 1
423 1 12 C H1' 1 21 G H1 6.000 3.000 7.000 4.951 4.882 5.025 . 0 0 "[ . 1]" 1
424 1 21 G H1 1 21 G H1' 6.000 3.000 7.000 6.037 6.014 6.046 . 0 0 "[ . 1]" 1
425 1 9 C H1' 1 24 G H1 5.500 2.500 6.500 4.542 4.515 4.573 . 0 0 "[ . 1]" 1
426 1 9 C H41 1 24 G H1 3.000 . 4.000 3.370 3.345 3.390 . 0 0 "[ . 1]" 1
427 1 9 C H42 1 24 G H1 4.300 . 5.300 4.727 4.708 4.741 . 0 0 "[ . 1]" 1
428 1 24 G H1 1 25 A H1' 5.000 2.200 6.000 4.548 4.502 4.618 . 0 0 "[ . 1]" 1
429 1 24 G H1 1 25 A H62 4.300 . 5.300 4.919 4.854 4.966 . 0 0 "[ . 1]" 1
430 1 24 G H1 1 25 A H8 5.500 2.500 6.500 5.652 5.601 5.684 . 0 0 "[ . 1]" 1
431 1 29 G H1 1 29 G H2' 6.000 3.000 7.000 6.099 6.078 6.127 . 0 0 "[ . 1]" 1
432 1 29 G H1 1 30 U H5 6.000 3.000 7.000 6.326 6.277 6.363 . 0 0 "[ . 1]" 1
433 1 3 G H1' 1 30 U H3 6.000 3.200 7.000 7.654 7.635 7.681 0.681 5 10 [****+*-***] 1
434 1 3 G H22 1 30 U H3 5.000 2.300 5.800 5.581 5.568 5.598 . 0 0 "[ . 1]" 1
435 1 2 A H2 1 31 U H3 3.000 . 3.300 2.748 2.443 3.156 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 66
_Distance_constraint_stats_list.Viol_count 190
_Distance_constraint_stats_list.Viol_total 141.543
_Distance_constraint_stats_list.Viol_max 0.103
_Distance_constraint_stats_list.Viol_rms 0.0356
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0214
_Distance_constraint_stats_list.Viol_average_violations_only 0.0745
_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 2.522 0.092 10 0 "[ . 1]"
1 2 A 0.000 0.000 . 0 "[ . 1]"
1 3 G 0.000 0.000 . 0 "[ . 1]"
1 4 C 2.635 0.103 2 0 "[ . 1]"
1 5 A 0.000 0.000 . 0 "[ . 1]"
1 6 G 1.307 0.060 10 0 "[ . 1]"
1 7 U 0.000 0.000 . 0 "[ . 1]"
1 8 U 0.000 0.000 . 0 "[ . 1]"
1 9 C 2.177 0.092 4 0 "[ . 1]"
1 10 C 0.518 0.097 7 0 "[ . 1]"
1 11 C 2.569 0.100 7 0 "[ . 1]"
1 12 C 2.427 0.092 1 0 "[ . 1]"
1 13 U 0.000 0.000 . 0 "[ . 1]"
1 14 G 0.000 0.000 . 0 "[ . 1]"
1 18 A 0.000 0.000 . 0 "[ . 1]"
1 19 A 0.000 0.000 . 0 "[ . 1]"
1 20 G 2.427 0.092 1 0 "[ . 1]"
1 21 G 2.569 0.100 7 0 "[ . 1]"
1 22 A 0.518 0.097 7 0 "[ . 1]"
1 24 G 2.177 0.092 4 0 "[ . 1]"
1 25 A 0.000 0.000 . 0 "[ . 1]"
1 26 A 0.000 0.000 . 0 "[ . 1]"
1 27 C 1.307 0.060 10 0 "[ . 1]"
1 28 C 0.000 0.000 . 0 "[ . 1]"
1 29 G 2.635 0.103 2 0 "[ . 1]"
1 30 U 0.000 0.000 . 0 "[ . 1]"
1 31 U 0.000 0.000 . 0 "[ . 1]"
1 32 C 2.522 0.092 10 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 32 C N3 1.900 . 1.900 1.974 1.972 1.979 0.079 2 0 "[ . 1]" 2
2 1 1 G N1 1 32 C N3 2.900 2.700 3.100 2.979 2.976 2.982 . 0 0 "[ . 1]" 2
3 1 1 G O6 1 32 C H41 2.000 . 2.000 1.910 1.908 1.911 0.092 10 0 "[ . 1]" 2
4 1 1 G O6 1 32 C N4 3.000 2.800 3.200 2.914 2.912 2.920 . 0 0 "[ . 1]" 2
5 1 1 G H21 1 32 C O2 2.000 . 2.000 1.913 1.910 1.915 0.090 7 0 "[ . 1]" 2
6 1 1 G N2 1 32 C O2 3.000 2.800 3.200 2.909 2.906 2.913 . 0 0 "[ . 1]" 2
7 1 2 A N1 1 31 U H3 2.000 . 2.200 1.897 1.878 1.911 . 0 0 "[ . 1]" 2
8 1 2 A N1 1 31 U N3 2.900 2.600 3.200 2.893 2.879 2.907 . 0 0 "[ . 1]" 2
9 1 2 A H61 1 31 U O4 2.000 . 2.200 1.990 1.979 2.005 . 0 0 "[ . 1]" 2
10 1 2 A N6 1 31 U O4 2.900 2.600 3.200 2.981 2.956 2.994 . 0 0 "[ . 1]" 2
11 1 3 G O6 1 30 U H3 2.000 . 2.200 1.984 1.978 1.993 . 0 0 "[ . 1]" 2
12 1 3 G O6 1 30 U N3 2.900 2.600 3.200 2.973 2.962 2.983 . 0 0 "[ . 1]" 2
13 1 3 G H1 1 30 U O2 2.000 . 2.200 1.939 1.920 1.963 . 0 0 "[ . 1]" 2
14 1 3 G N1 1 30 U O2 2.900 2.400 3.200 2.936 2.918 2.962 . 0 0 "[ . 1]" 2
15 1 4 C N3 1 29 G H1 1.900 . 1.900 1.973 1.970 1.976 0.076 6 0 "[ . 1]" 2
16 1 4 C N3 1 29 G N1 2.900 2.700 3.100 2.970 2.962 2.976 . 0 0 "[ . 1]" 2
17 1 4 C H41 1 29 G O6 2.000 . 2.000 1.910 1.906 1.913 0.094 6 0 "[ . 1]" 2
18 1 4 C N4 1 29 G O6 3.000 2.800 3.200 2.908 2.904 2.911 . 0 0 "[ . 1]" 2
19 1 4 C O2 1 29 G H21 2.000 . 2.000 1.900 1.897 1.905 0.103 2 0 "[ . 1]" 2
20 1 4 C O2 1 29 G N2 3.000 2.800 3.200 2.909 2.908 2.911 . 0 0 "[ . 1]" 2
21 1 5 A N6 1 28 C N3 2.900 2.600 3.200 2.902 2.899 2.904 . 0 0 "[ . 1]" 2
22 1 5 A H61 1 28 C N3 2.000 . 2.200 2.012 2.006 2.017 . 0 0 "[ . 1]" 2
23 1 5 A N1 1 28 C O2 2.900 2.600 3.200 3.044 3.028 3.053 . 0 0 "[ . 1]" 2
24 1 6 G H1 1 27 C N3 1.900 . 1.900 1.920 1.916 1.925 0.025 10 0 "[ . 1]" 2
25 1 6 G N1 1 27 C N3 2.900 2.700 3.100 2.914 2.909 2.919 . 0 0 "[ . 1]" 2
26 1 6 G O6 1 27 C H41 2.000 . 2.000 1.943 1.940 1.945 0.060 10 0 "[ . 1]" 2
27 1 6 G O6 1 27 C N4 3.000 2.800 3.200 2.903 2.901 2.909 . 0 0 "[ . 1]" 2
28 1 6 G H21 1 27 C O2 2.000 . 2.000 1.947 1.944 1.951 0.056 10 0 "[ . 1]" 2
29 1 6 G N2 1 27 C O2 3.000 2.800 3.200 2.943 2.940 2.950 . 0 0 "[ . 1]" 2
30 1 7 U H3 1 26 A N1 2.000 . 2.200 1.880 1.868 1.893 . 0 0 "[ . 1]" 2
31 1 7 U N3 1 26 A N1 2.900 2.600 3.200 2.880 2.862 2.894 . 0 0 "[ . 1]" 2
32 1 7 U O4 1 26 A H61 2.000 . 2.200 2.006 2.001 2.014 . 0 0 "[ . 1]" 2
33 1 7 U O4 1 26 A N6 2.900 2.600 3.200 3.014 3.008 3.023 . 0 0 "[ . 1]" 2
34 1 8 U H3 1 25 A N1 2.000 . 2.200 1.964 1.954 1.973 . 0 0 "[ . 1]" 2
35 1 8 U N3 1 25 A N1 2.900 2.600 3.200 2.971 2.959 2.980 . 0 0 "[ . 1]" 2
36 1 8 U O4 1 25 A H61 2.000 . 2.200 1.989 1.982 1.998 . 0 0 "[ . 1]" 2
37 1 8 U O4 1 25 A N6 2.900 2.600 3.200 2.961 2.949 2.970 . 0 0 "[ . 1]" 2
38 1 9 C N3 1 24 G H1 1.900 . 1.900 1.978 1.974 1.987 0.087 4 0 "[ . 1]" 2
39 1 9 C N3 1 24 G N1 2.900 2.700 3.100 2.885 2.877 2.894 . 0 0 "[ . 1]" 2
40 1 9 C H41 1 24 G O6 2.000 . 2.000 1.950 1.944 1.955 0.056 4 0 "[ . 1]" 2
41 1 9 C N4 1 24 G O6 3.000 2.800 3.200 2.839 2.836 2.843 . 0 0 "[ . 1]" 2
42 1 9 C O2 1 24 G H21 2.000 . 2.000 1.911 1.908 1.914 0.092 4 0 "[ . 1]" 2
43 1 9 C O2 1 24 G N2 3.000 2.800 3.200 2.862 2.857 2.867 . 0 0 "[ . 1]" 2
44 1 10 C N3 1 22 A N6 2.900 2.600 3.200 2.895 2.879 2.907 . 0 0 "[ . 1]" 2
45 1 10 C N3 1 22 A H61 2.000 . 2.200 1.921 1.908 1.934 . 0 0 "[ . 1]" 2
46 1 10 C O2 1 22 A N1 2.900 2.600 3.200 3.252 3.215 3.297 0.097 7 0 "[ . 1]" 2
47 1 11 C N3 1 21 G H1 1.900 . 1.900 1.972 1.969 1.973 0.073 5 0 "[ . 1]" 2
48 1 11 C N3 1 21 G N1 2.900 2.700 3.100 2.974 2.970 2.978 . 0 0 "[ . 1]" 2
49 1 11 C H41 1 21 G O6 2.000 . 2.000 1.914 1.912 1.917 0.088 5 0 "[ . 1]" 2
50 1 11 C N4 1 21 G O6 3.000 2.800 3.200 2.911 2.909 2.914 . 0 0 "[ . 1]" 2
51 1 11 C O2 1 21 G H21 2.000 . 2.000 1.902 1.900 1.905 0.100 7 0 "[ . 1]" 2
52 1 11 C O2 1 21 G N2 3.000 2.800 3.200 2.911 2.909 2.914 . 0 0 "[ . 1]" 2
53 1 12 C N3 1 20 G H1 1.900 . 1.900 1.967 1.960 1.971 0.071 2 0 "[ . 1]" 2
54 1 12 C N3 1 20 G N1 2.900 2.700 3.100 2.973 2.968 2.978 . 0 0 "[ . 1]" 2
55 1 12 C H41 1 20 G O6 2.000 . 2.000 1.913 1.911 1.914 0.089 8 0 "[ . 1]" 2
56 1 12 C N4 1 20 G O6 3.000 2.800 3.200 2.923 2.921 2.925 . 0 0 "[ . 1]" 2
57 1 12 C O2 1 20 G H21 2.000 . 2.000 1.911 1.908 1.917 0.092 1 0 "[ . 1]" 2
58 1 12 C O2 1 20 G N2 3.000 2.800 3.200 2.907 2.904 2.911 . 0 0 "[ . 1]" 2
59 1 13 U H3 1 19 A N1 2.000 . 2.200 1.998 1.978 2.024 . 0 0 "[ . 1]" 2
60 1 13 U N3 1 19 A N1 2.900 2.600 3.200 2.961 2.934 3.008 . 0 0 "[ . 1]" 2
61 1 13 U O4 1 19 A H61 2.000 . 2.200 1.979 1.970 1.988 . 0 0 "[ . 1]" 2
62 1 13 U O4 1 19 A N6 2.900 2.600 3.200 2.962 2.947 2.979 . 0 0 "[ . 1]" 2
63 1 14 G H22 1 18 A N7 2.000 . 2.500 2.021 1.996 2.047 . 0 0 "[ . 1]" 2
64 1 14 G N2 1 18 A N7 2.900 2.600 3.200 2.956 2.939 2.977 . 0 0 "[ . 1]" 2
65 1 14 G N3 1 18 A H62 2.000 . 2.200 1.955 1.947 1.966 . 0 0 "[ . 1]" 2
66 1 14 G N3 1 18 A N6 2.900 2.600 3.200 2.774 2.750 2.799 . 0 0 "[ . 1]" 2
stop_
save_
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