NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
322223 |
1yn2   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1yn2
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 364
_Distance_constraint_stats_list.Viol_count 169
_Distance_constraint_stats_list.Viol_total 35.084
_Distance_constraint_stats_list.Viol_max 0.061
_Distance_constraint_stats_list.Viol_rms 0.0049
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0189
_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
2 1 G 0.004 0.003 11 0 "[ . 1 ]"
2 2 C 0.020 0.010 4 0 "[ . 1 ]"
2 3 G 0.019 0.010 4 0 "[ . 1 ]"
2 4 A 0.017 0.007 9 0 "[ . 1 ]"
2 5 G 0.007 0.007 9 0 "[ . 1 ]"
2 6 U 0.000 0.000 . 0 "[ . 1 ]"
2 7 U 0.356 0.030 7 0 "[ . 1 ]"
2 8 G 0.304 0.033 1 0 "[ . 1 ]"
2 9 A 0.348 0.039 10 0 "[ . 1 ]"
2 10 C 0.587 0.039 10 0 "[ . 1 ]"
2 11 U 0.433 0.039 6 0 "[ . 1 ]"
2 12 A 0.362 0.027 2 0 "[ . 1 ]"
2 13 C 0.109 0.013 1 0 "[ . 1 ]"
2 14 U 0.019 0.009 4 0 "[ . 1 ]"
2 15 C 0.009 0.007 9 0 "[ . 1 ]"
2 16 G 0.003 0.002 3 0 "[ . 1 ]"
2 17 C 0.921 0.061 2 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 2 1 G H1' 2 1 G H2' 3.000 . 3.000 2.739 2.732 2.745 . 0 0 "[ . 1 ]" 1
2 2 1 G H1' 2 1 G H3' 4.000 . 4.100 3.891 3.886 3.897 . 0 0 "[ . 1 ]" 1
3 2 1 G H1' 2 1 G H4' 4.000 . 4.100 3.494 3.472 3.510 . 0 0 "[ . 1 ]" 1
4 2 1 G H1' 2 1 G H5' 5.000 . 5.500 4.727 4.620 4.798 . 0 0 "[ . 1 ]" 1
5 2 1 G H1' 2 1 G H5'' 5.000 . 5.500 5.252 5.235 5.263 . 0 0 "[ . 1 ]" 1
6 2 1 G H2' 2 1 G H5' 5.000 . 5.500 5.254 5.161 5.305 . 0 0 "[ . 1 ]" 1
7 2 1 G H2' 2 1 G H5'' 5.000 . 5.500 4.901 4.810 5.038 . 0 0 "[ . 1 ]" 1
8 2 1 G H1' 2 1 G H8 4.000 . 4.100 3.788 3.742 3.839 . 0 0 "[ . 1 ]" 1
9 2 1 G H1' 2 2 C H5 5.000 . 5.500 4.920 4.562 5.372 . 0 0 "[ . 1 ]" 1
10 2 1 G H1' 2 2 C H6 5.000 . 5.500 5.222 5.054 5.414 . 0 0 "[ . 1 ]" 1
11 2 1 G H2' 2 1 G H3' 3.000 . 3.000 2.355 2.353 2.358 . 0 0 "[ . 1 ]" 1
12 2 1 G H2' 2 1 G H4' 4.000 . 4.100 3.899 3.887 3.902 . 0 0 "[ . 1 ]" 1
13 2 1 G H2' 2 1 G H8 4.000 . 4.100 3.775 3.554 3.932 . 0 0 "[ . 1 ]" 1
14 2 1 G H2' 2 2 C H1' 5.000 . 5.500 4.915 4.576 5.414 . 0 0 "[ . 1 ]" 1
15 2 1 G H2' 2 2 C H5 4.000 . 4.100 2.683 2.382 3.047 . 0 0 "[ . 1 ]" 1
16 2 1 G H2' 2 2 C H6 3.000 . 3.000 2.542 2.349 2.799 . 0 0 "[ . 1 ]" 1
17 2 1 G H3' 2 1 G H4' 4.000 . 4.100 3.024 3.022 3.032 . 0 0 "[ . 1 ]" 1
18 2 1 G H3' 2 1 G H5'' 5.000 . 5.500 2.845 2.714 3.047 . 0 0 "[ . 1 ]" 1
19 2 1 G H3' 2 1 G H8 4.000 . 4.100 2.882 2.633 3.098 . 0 0 "[ . 1 ]" 1
20 2 1 G H3' 2 2 C H5 4.000 . 4.100 2.370 2.339 2.429 . 0 0 "[ . 1 ]" 1
21 2 1 G H3' 2 2 C H6 3.000 . 3.000 2.892 2.674 3.002 0.002 2 0 "[ . 1 ]" 1
22 2 1 G H4' 2 1 G H5' 4.000 . 4.100 2.503 2.438 2.608 . 0 0 "[ . 1 ]" 1
23 2 1 G H4' 2 1 G H5'' 4.000 . 4.100 2.434 2.346 2.496 . 0 0 "[ . 1 ]" 1
24 2 1 G H4' 2 1 G H8 5.000 . 5.500 4.216 4.198 4.237 . 0 0 "[ . 1 ]" 1
25 2 1 G H4' 2 2 C H5 6.000 . 7.000 5.298 5.181 5.399 . 0 0 "[ . 1 ]" 1
26 2 1 G H4' 2 2 C H6 5.000 . 5.500 5.154 5.015 5.274 . 0 0 "[ . 1 ]" 1
27 2 1 G H5' 2 1 G H8 4.000 . 4.100 3.418 3.163 3.657 . 0 0 "[ . 1 ]" 1
28 2 1 G H5'' 2 1 G H8 4.000 . 4.100 3.934 3.791 4.049 . 0 0 "[ . 1 ]" 1
29 2 1 G H8 2 2 C H5 4.000 . 4.100 3.492 3.073 3.833 . 0 0 "[ . 1 ]" 1
30 2 1 G H8 2 2 C H6 5.000 . 5.500 5.276 4.907 5.503 0.003 11 0 "[ . 1 ]" 1
31 2 2 C H1' 2 2 C H6 4.000 . 4.100 3.586 3.544 3.644 . 0 0 "[ . 1 ]" 1
32 2 2 C H1' 2 3 G H8 5.000 . 5.500 5.288 5.098 5.437 . 0 0 "[ . 1 ]" 1
33 2 2 C H2' 2 2 C H6 4.000 . 4.100 3.778 3.621 3.904 . 0 0 "[ . 1 ]" 1
34 2 2 C H2' 2 3 G H8 5.000 . 5.500 2.560 2.400 2.728 . 0 0 "[ . 1 ]" 1
35 2 2 C H3' 2 2 C H5 5.000 . 5.500 4.704 4.488 4.914 . 0 0 "[ . 1 ]" 1
36 2 2 C H3' 2 2 C H6 4.000 . 4.100 2.913 2.614 3.147 . 0 0 "[ . 1 ]" 1
37 2 2 C H3' 2 3 G H8 3.000 . 3.000 2.902 2.721 3.010 0.010 4 0 "[ . 1 ]" 1
38 2 2 C H4' 2 2 C H6 5.000 . 5.500 3.965 3.885 4.060 . 0 0 "[ . 1 ]" 1
39 2 2 C H5 2 2 C H5' 6.000 . 7.000 5.512 5.048 5.772 . 0 0 "[ . 1 ]" 1
40 2 2 C H5' 2 2 C H6 4.000 . 4.100 3.284 2.857 3.508 . 0 0 "[ . 1 ]" 1
41 2 2 C H5'' 2 2 C H6 5.000 . 5.500 3.808 3.645 4.007 . 0 0 "[ . 1 ]" 1
42 2 2 C H5 2 2 C H6 3.000 . 3.000 2.451 2.450 2.452 . 0 0 "[ . 1 ]" 1
43 2 3 G H1' 2 3 G H2' 3.000 . 3.000 2.793 2.756 2.896 . 0 0 "[ . 1 ]" 1
44 2 3 G H1' 2 3 G H3' 4.000 . 4.100 3.909 3.892 3.949 . 0 0 "[ . 1 ]" 1
45 2 3 G H1' 2 3 G H4' 4.000 . 4.100 3.295 2.978 3.427 . 0 0 "[ . 1 ]" 1
46 2 3 G H1' 2 3 G H8 4.000 . 4.100 3.806 3.755 3.852 . 0 0 "[ . 1 ]" 1
47 2 3 G H1' 2 4 A H8 5.000 . 5.500 4.896 4.227 5.273 . 0 0 "[ . 1 ]" 1
48 2 3 G H2' 2 4 A H1' 5.000 . 5.500 4.570 4.064 5.359 . 0 0 "[ . 1 ]" 1
49 2 3 G H2' 2 4 A H8 3.000 . 3.000 2.379 2.336 2.563 . 0 0 "[ . 1 ]" 1
50 2 3 G H3' 2 3 G H8 4.000 . 4.100 3.003 2.655 3.429 . 0 0 "[ . 1 ]" 1
51 2 3 G H3' 2 4 A H8 4.000 . 4.100 3.641 3.381 3.969 . 0 0 "[ . 1 ]" 1
52 2 3 G H4' 2 3 G H8 5.000 . 5.500 4.395 4.296 4.631 . 0 0 "[ . 1 ]" 1
53 2 3 G H5' 2 3 G H8 5.000 . 5.500 3.918 3.698 4.333 . 0 0 "[ . 1 ]" 1
54 2 3 G H5'' 2 3 G H8 5.000 . 5.500 4.275 3.976 4.968 . 0 0 "[ . 1 ]" 1
55 2 4 A H1' 2 4 A H2' 3.000 . 3.000 2.745 2.725 2.768 . 0 0 "[ . 1 ]" 1
56 2 4 A H1' 2 4 A H3' 4.000 . 4.100 3.888 3.878 3.901 . 0 0 "[ . 1 ]" 1
57 2 4 A H1' 2 4 A H4' 4.000 . 4.100 3.457 3.378 3.528 . 0 0 "[ . 1 ]" 1
58 2 4 A H1' 2 4 A H8 4.000 . 4.100 3.821 3.790 3.839 . 0 0 "[ . 1 ]" 1
59 2 4 A H1' 2 5 G H8 5.000 . 5.500 4.962 4.557 5.169 . 0 0 "[ . 1 ]" 1
60 2 4 A H2' 2 4 A H8 4.000 . 4.100 3.654 3.547 3.818 . 0 0 "[ . 1 ]" 1
61 2 4 A H2' 2 5 G H1' 5.000 . 5.500 3.662 3.429 3.959 . 0 0 "[ . 1 ]" 1
62 2 4 A H2' 2 5 G H3' 5.000 . 5.500 4.417 4.239 4.690 . 0 0 "[ . 1 ]" 1
63 2 4 A H2' 2 5 G H8 3.000 . 3.000 2.359 2.322 2.436 . 0 0 "[ . 1 ]" 1
64 2 4 A H3' 2 4 A H8 4.000 . 4.100 2.741 2.633 2.962 . 0 0 "[ . 1 ]" 1
65 2 4 A H3' 2 5 G H8 4.000 . 4.100 3.237 2.660 3.580 . 0 0 "[ . 1 ]" 1
66 2 4 A H4' 2 4 A H8 5.000 . 5.500 4.241 4.159 4.335 . 0 0 "[ . 1 ]" 1
67 2 4 A H5'' 2 4 A H8 4.000 . 4.100 3.892 3.683 4.095 . 0 0 "[ . 1 ]" 1
68 2 4 A H5' 2 4 A H8 5.000 . 5.500 3.662 3.429 3.836 . 0 0 "[ . 1 ]" 1
69 2 4 A H2 2 5 G H1' 4.000 . 4.100 4.076 3.991 4.107 0.007 9 0 "[ . 1 ]" 1
70 2 4 A H2 2 14 U H1' 6.000 . 7.000 5.211 5.028 5.386 . 0 0 "[ . 1 ]" 1
71 2 4 A H2 2 14 U H2' 6.000 . 7.000 5.309 5.074 5.565 . 0 0 "[ . 1 ]" 1
72 2 4 A H2 2 15 C H1' 4.000 . 4.100 4.051 3.772 4.107 0.007 9 0 "[ . 1 ]" 1
73 2 5 G H1' 2 5 G H2' 3.000 . 3.000 2.838 2.749 2.934 . 0 0 "[ . 1 ]" 1
74 2 5 G H1' 2 5 G H3' 4.000 . 4.100 3.920 3.884 3.950 . 0 0 "[ . 1 ]" 1
75 2 5 G H1' 2 5 G H4' 4.000 . 4.100 3.142 2.871 3.429 . 0 0 "[ . 1 ]" 1
76 2 5 G H1' 2 5 G H8 4.000 . 4.100 3.781 3.726 3.813 . 0 0 "[ . 1 ]" 1
77 2 5 G H1' 2 6 U H5 6.000 . 7.000 5.804 5.086 6.425 . 0 0 "[ . 1 ]" 1
78 2 5 G H2' 2 5 G H3' 3.000 . 3.000 2.337 2.311 2.359 . 0 0 "[ . 1 ]" 1
79 2 5 G H2' 2 5 G H8 4.000 . 4.100 3.633 3.443 3.751 . 0 0 "[ . 1 ]" 1
80 2 5 G H2' 2 6 U H5 4.000 . 4.100 3.109 2.343 3.790 . 0 0 "[ . 1 ]" 1
81 2 5 G H2' 2 6 U H6 3.000 . 3.000 2.348 2.326 2.387 . 0 0 "[ . 1 ]" 1
82 2 5 G H3' 2 5 G H5'' 4.000 . 4.100 2.726 2.683 2.768 . 0 0 "[ . 1 ]" 1
83 2 5 G H3' 2 5 G H8 4.000 . 4.100 3.326 2.794 4.040 . 0 0 "[ . 1 ]" 1
84 2 5 G H3' 2 6 U H5 4.000 . 4.100 3.847 3.636 4.022 . 0 0 "[ . 1 ]" 1
85 2 5 G H3' 2 6 U H6 4.000 . 4.100 3.725 3.338 3.966 . 0 0 "[ . 1 ]" 1
86 2 5 G H5' 2 5 G H8 5.000 . 5.500 4.162 3.727 4.495 . 0 0 "[ . 1 ]" 1
87 2 5 G H5'' 2 5 G H8 5.000 . 5.500 4.553 3.951 5.107 . 0 0 "[ . 1 ]" 1
88 2 5 G H8 2 6 U H5 6.000 . 7.000 5.089 4.490 5.404 . 0 0 "[ . 1 ]" 1
89 2 6 U H1' 2 6 U H2' 3.000 . 3.000 2.766 2.747 2.784 . 0 0 "[ . 1 ]" 1
90 2 6 U H1' 2 6 U H3' 4.000 . 4.100 3.893 3.885 3.902 . 0 0 "[ . 1 ]" 1
91 2 6 U H1' 2 6 U H4' 4.000 . 4.100 3.379 3.314 3.450 . 0 0 "[ . 1 ]" 1
92 2 6 U H1' 2 6 U H6 4.000 . 4.100 3.638 3.577 3.699 . 0 0 "[ . 1 ]" 1
93 2 6 U H1' 2 7 U H6 5.000 . 5.500 5.050 4.912 5.110 . 0 0 "[ . 1 ]" 1
94 2 6 U H1' 2 12 A H2 6.000 . 7.000 5.283 4.804 5.615 . 0 0 "[ . 1 ]" 1
95 2 6 U H2' 2 6 U H3' 3.000 . 3.000 2.356 2.351 2.359 . 0 0 "[ . 1 ]" 1
96 2 6 U H2' 2 6 U H6 4.000 . 4.100 3.565 3.243 3.791 . 0 0 "[ . 1 ]" 1
97 2 6 U H2' 2 7 U H1' 5.000 . 5.500 4.195 3.917 4.467 . 0 0 "[ . 1 ]" 1
98 2 6 U H2' 2 7 U H5 5.000 . 5.500 3.948 3.700 4.208 . 0 0 "[ . 1 ]" 1
99 2 6 U H2' 2 7 U H6 4.000 . 4.100 2.341 2.326 2.374 . 0 0 "[ . 1 ]" 1
100 2 6 U H3' 2 7 U H5 5.000 . 5.500 2.862 2.464 3.461 . 0 0 "[ . 1 ]" 1
101 2 6 U H3' 2 7 U H6 4.000 . 4.100 2.743 2.366 3.215 . 0 0 "[ . 1 ]" 1
102 2 6 U H3' 2 6 U H5'' 4.000 . 4.100 2.737 2.706 2.810 . 0 0 "[ . 1 ]" 1
103 2 6 U H3' 2 6 U H5 6.000 . 7.000 4.563 4.450 4.745 . 0 0 "[ . 1 ]" 1
104 2 6 U H3' 2 6 U H6 4.000 . 4.100 2.661 2.370 2.946 . 0 0 "[ . 1 ]" 1
105 2 6 U H4' 2 6 U H5'' 3.000 . 3.000 2.504 2.473 2.512 . 0 0 "[ . 1 ]" 1
106 2 6 U H4' 2 6 U H6 4.000 . 4.100 3.983 3.903 4.045 . 0 0 "[ . 1 ]" 1
107 2 6 U H4' 2 7 U H6 5.000 . 5.500 5.322 5.157 5.499 . 0 0 "[ . 1 ]" 1
108 2 6 U H5' 2 6 U H6 5.000 . 5.500 3.519 3.384 3.713 . 0 0 "[ . 1 ]" 1
109 2 6 U H5'' 2 6 U H6 5.000 . 5.500 3.766 3.576 3.892 . 0 0 "[ . 1 ]" 1
110 2 6 U H5 2 6 U H6 3.000 . 3.000 2.426 2.425 2.428 . 0 0 "[ . 1 ]" 1
111 2 6 U H5 2 7 U H5 5.000 . 5.500 4.509 3.168 5.449 . 0 0 "[ . 1 ]" 1
112 2 6 U H6 2 7 U H5 6.000 . 7.000 4.040 3.001 5.036 . 0 0 "[ . 1 ]" 1
113 2 7 U H1' 2 7 U H2' 3.000 . 3.000 2.745 2.733 2.791 . 0 0 "[ . 1 ]" 1
114 2 7 U H1' 2 7 U H3' 4.000 . 4.100 3.894 3.882 3.908 . 0 0 "[ . 1 ]" 1
115 2 7 U H1' 2 7 U H4' 4.000 . 4.100 3.475 3.296 3.525 . 0 0 "[ . 1 ]" 1
116 2 7 U H1' 2 7 U H6 4.000 . 4.100 3.593 3.554 3.645 . 0 0 "[ . 1 ]" 1
117 2 7 U H1' 2 9 A H8 4.000 . 4.100 4.081 3.872 4.114 0.014 6 0 "[ . 1 ]" 1
118 2 7 U H1' 2 10 C H5 3.000 . 3.000 2.946 2.789 3.001 0.001 4 0 "[ . 1 ]" 1
119 2 7 U H1' 2 10 C H6 6.000 . 7.000 5.260 4.898 5.431 . 0 0 "[ . 1 ]" 1
120 2 7 U H1' 2 12 A H2 4.000 . 4.100 4.094 4.029 4.113 0.013 3 0 "[ . 1 ]" 1
121 2 7 U H2' 2 7 U H6 4.000 . 4.100 3.764 3.603 3.880 . 0 0 "[ . 1 ]" 1
122 2 7 U H2' 2 8 G H8 5.000 . 5.500 4.606 4.094 5.094 . 0 0 "[ . 1 ]" 1
123 2 7 U H2' 2 9 A H3' 5.000 . 5.500 4.470 3.834 5.170 . 0 0 "[ . 1 ]" 1
124 2 7 U H2' 2 9 A H8 3.000 . 3.000 2.501 2.351 2.898 . 0 0 "[ . 1 ]" 1
125 2 7 U H2' 2 10 C H5 5.000 . 5.500 4.316 4.089 4.550 . 0 0 "[ . 1 ]" 1
126 2 7 U H3' 2 7 U H4' 3.000 . 3.000 3.021 3.017 3.030 0.030 7 0 "[ . 1 ]" 1
127 2 7 U H3' 2 7 U H5 6.000 . 7.000 4.635 4.470 4.846 . 0 0 "[ . 1 ]" 1
128 2 7 U H3' 2 7 U H6 3.000 . 3.000 2.860 2.623 3.005 0.005 10 0 "[ . 1 ]" 1
129 2 7 U H3' 2 9 A H8 5.000 . 5.500 4.722 4.554 5.216 . 0 0 "[ . 1 ]" 1
130 2 7 U H4' 2 7 U H5'' 3.000 . 3.000 2.512 2.439 2.576 . 0 0 "[ . 1 ]" 1
131 2 7 U H4' 2 7 U H6 5.000 . 5.500 3.913 3.854 4.076 . 0 0 "[ . 1 ]" 1
132 2 7 U H4' 2 10 C H5 6.000 . 7.000 6.142 5.545 6.459 . 0 0 "[ . 1 ]" 1
133 2 7 U H5 2 7 U H6 3.000 . 3.000 2.426 2.426 2.427 . 0 0 "[ . 1 ]" 1
134 2 7 U H5' 2 7 U H6 5.000 . 5.500 3.298 3.153 3.504 . 0 0 "[ . 1 ]" 1
135 2 7 U H5'' 2 7 U H6 5.000 . 5.500 3.638 3.469 4.080 . 0 0 "[ . 1 ]" 1
136 2 8 G H1' 2 8 G H2' 3.000 . 3.000 2.775 2.747 2.812 . 0 0 "[ . 1 ]" 1
137 2 8 G H1' 2 8 G H3' 4.000 . 4.100 3.906 3.895 3.924 . 0 0 "[ . 1 ]" 1
138 2 8 G H1' 2 8 G H4' 4.000 . 4.100 3.364 3.241 3.482 . 0 0 "[ . 1 ]" 1
139 2 8 G H1' 2 8 G H8 4.000 . 4.100 3.807 3.691 3.864 . 0 0 "[ . 1 ]" 1
140 2 8 G H1' 2 9 A H8 5.000 . 5.500 5.369 4.998 5.507 0.007 4 0 "[ . 1 ]" 1
141 2 8 G H2' 2 8 G H3' 3.000 . 3.000 2.349 2.342 2.355 . 0 0 "[ . 1 ]" 1
142 2 8 G H2' 2 8 G H4' 4.000 . 4.100 3.878 3.856 3.908 . 0 0 "[ . 1 ]" 1
143 2 8 G H2' 2 8 G H8 4.000 . 4.100 3.611 3.308 3.961 . 0 0 "[ . 1 ]" 1
144 2 8 G H2' 2 9 A H1' 5.000 . 5.500 3.496 3.179 3.749 . 0 0 "[ . 1 ]" 1
145 2 8 G H2' 2 9 A H5' 5.000 . 5.500 3.510 2.716 4.514 . 0 0 "[ . 1 ]" 1
146 2 8 G H2' 2 9 A H8 3.000 . 3.000 2.849 2.346 3.007 0.007 10 0 "[ . 1 ]" 1
147 2 8 G H3' 2 8 G H4' 3.000 . 3.000 3.026 3.017 3.033 0.033 1 0 "[ . 1 ]" 1
148 2 8 G H3' 2 8 G H8 4.000 . 4.100 2.897 2.456 3.475 . 0 0 "[ . 1 ]" 1
149 2 8 G H3' 2 9 A H8 3.000 . 3.000 2.778 2.423 2.999 . 0 0 "[ . 1 ]" 1
150 2 8 G H4' 2 8 G H5'' 3.000 . 3.000 2.323 2.252 2.359 . 0 0 "[ . 1 ]" 1
151 2 8 G H4' 2 8 G H8 5.000 . 5.500 4.343 4.233 4.463 . 0 0 "[ . 1 ]" 1
152 2 8 G H4' 2 9 A H8 6.000 . 7.000 5.653 5.246 5.919 . 0 0 "[ . 1 ]" 1
153 2 8 G H5' 2 8 G H8 4.000 . 4.100 3.100 2.326 3.719 . 0 0 "[ . 1 ]" 1
154 2 8 G H5'' 2 8 G H8 5.000 . 5.500 4.306 3.974 4.683 . 0 0 "[ . 1 ]" 1
155 2 9 A H1' 2 9 A H2 5.000 . 5.500 4.659 4.582 4.710 . 0 0 "[ . 1 ]" 1
156 2 9 A H1' 2 9 A H2' 3.000 . 3.000 2.758 2.737 2.776 . 0 0 "[ . 1 ]" 1
157 2 9 A H1' 2 9 A H3' 4.000 . 4.100 3.891 3.880 3.906 . 0 0 "[ . 1 ]" 1
158 2 9 A H1' 2 9 A H4' 4.000 . 4.100 3.406 3.343 3.490 . 0 0 "[ . 1 ]" 1
159 2 9 A H1' 2 9 A H8 4.000 . 4.100 3.789 3.759 3.834 . 0 0 "[ . 1 ]" 1
160 2 9 A H1' 2 10 C H5 6.000 . 6.100 5.976 5.844 6.105 0.005 11 0 "[ . 1 ]" 1
161 2 9 A H1' 2 10 C H6 5.000 . 5.500 4.989 4.900 5.179 . 0 0 "[ . 1 ]" 1
162 2 9 A H2' 2 9 A H3' 3.000 . 3.000 2.356 2.348 2.362 . 0 0 "[ . 1 ]" 1
163 2 9 A H2' 2 9 A H8 4.000 . 4.100 3.753 3.545 3.889 . 0 0 "[ . 1 ]" 1
164 2 9 A H2' 2 10 C H5 4.000 . 4.100 3.961 3.662 4.118 0.018 9 0 "[ . 1 ]" 1
165 2 9 A H2' 2 10 C H6 3.000 . 3.000 2.346 2.312 2.410 . 0 0 "[ . 1 ]" 1
166 2 9 A H3' 2 9 A H4' 4.000 . 4.100 3.030 3.024 3.040 . 0 0 "[ . 1 ]" 1
167 2 9 A H3' 2 9 A H5'' 4.000 . 4.100 2.505 2.301 2.854 . 0 0 "[ . 1 ]" 1
168 2 9 A H3' 2 9 A H8 3.000 . 3.000 2.946 2.774 3.010 0.010 3 0 "[ . 1 ]" 1
169 2 9 A H3' 2 10 C H5' 5.000 . 5.500 4.770 4.158 5.218 . 0 0 "[ . 1 ]" 1
170 2 9 A H3' 2 10 C H5'' 5.000 . 5.500 4.410 3.657 5.258 . 0 0 "[ . 1 ]" 1
171 2 9 A H3' 2 10 C H5 6.000 . 7.000 3.587 3.013 4.061 . 0 0 "[ . 1 ]" 1
172 2 9 A H3' 2 10 C H6 4.000 . 4.100 3.012 2.581 3.300 . 0 0 "[ . 1 ]" 1
173 2 9 A H4' 2 9 A H5'' 3.000 . 3.000 2.784 2.447 3.039 0.039 10 0 "[ . 1 ]" 1
174 2 9 A H4' 2 9 A H8 5.000 . 5.500 4.307 4.233 4.359 . 0 0 "[ . 1 ]" 1
175 2 9 A H4' 2 10 C H6 6.000 . 7.000 5.626 5.357 5.870 . 0 0 "[ . 1 ]" 1
176 2 9 A H5' 2 9 A H8 5.000 . 5.500 4.011 3.798 4.115 . 0 0 "[ . 1 ]" 1
177 2 9 A H5'' 2 9 A H8 5.000 . 5.500 3.248 2.332 4.187 . 0 0 "[ . 1 ]" 1
178 2 9 A H5' 2 10 C H5 6.000 . 7.000 6.319 5.298 7.008 0.008 5 0 "[ . 1 ]" 1
179 2 9 A H2 2 10 C H1' 4.000 . 4.100 3.836 2.856 4.104 0.004 6 0 "[ . 1 ]" 1
180 2 9 A H8 2 10 C H5 5.000 . 5.500 3.822 3.440 4.276 . 0 0 "[ . 1 ]" 1
181 2 10 C H1' 2 10 C H2' 3.000 . 3.000 2.774 2.740 2.817 . 0 0 "[ . 1 ]" 1
182 2 10 C H1' 2 10 C H3' 4.000 . 4.100 3.902 3.887 3.921 . 0 0 "[ . 1 ]" 1
183 2 10 C H1' 2 10 C H4' 4.000 . 4.100 3.364 3.212 3.488 . 0 0 "[ . 1 ]" 1
184 2 10 C H1' 2 10 C H5' 5.000 . 5.500 5.043 4.776 5.251 . 0 0 "[ . 1 ]" 1
185 2 10 C H1' 2 10 C H5'' 5.000 . 5.500 4.857 4.564 5.195 . 0 0 "[ . 1 ]" 1
186 2 10 C H1' 2 10 C H6 4.000 . 4.100 3.573 3.497 3.658 . 0 0 "[ . 1 ]" 1
187 2 10 C H1' 2 11 U H6 6.000 . 7.000 5.158 4.544 5.936 . 0 0 "[ . 1 ]" 1
188 2 10 C H1' 2 12 A H8 6.000 . 7.000 5.760 4.563 6.601 . 0 0 "[ . 1 ]" 1
189 2 10 C H2' 2 10 C H3' 3.000 . 3.000 2.351 2.342 2.357 . 0 0 "[ . 1 ]" 1
190 2 10 C H2' 2 10 C H5 5.000 . 5.500 5.194 4.971 5.385 . 0 0 "[ . 1 ]" 1
191 2 10 C H2' 2 10 C H6 4.000 . 4.100 3.767 3.466 4.018 . 0 0 "[ . 1 ]" 1
192 2 10 C H2' 2 11 U H1' 6.000 . 7.000 6.663 6.050 7.011 0.011 5 0 "[ . 1 ]" 1
193 2 10 C H2' 2 11 U H3' 5.000 . 5.500 3.917 2.939 4.616 . 0 0 "[ . 1 ]" 1
194 2 10 C H2' 2 11 U H6 4.000 . 4.100 3.869 3.298 4.110 0.010 7 0 "[ . 1 ]" 1
195 2 10 C H2' 2 12 A H8 4.000 . 4.100 3.202 2.404 4.006 . 0 0 "[ . 1 ]" 1
196 2 10 C H3' 2 10 C H4' 3.000 . 3.000 3.026 3.020 3.035 0.035 1 0 "[ . 1 ]" 1
197 2 10 C H3' 2 10 C H5' 4.000 . 4.100 3.214 2.761 3.687 . 0 0 "[ . 1 ]" 1
198 2 10 C H3' 2 10 C H5'' 4.000 . 4.100 2.470 2.327 2.645 . 0 0 "[ . 1 ]" 1
199 2 10 C H3' 2 10 C H5 6.000 . 7.000 4.839 4.673 5.029 . 0 0 "[ . 1 ]" 1
200 2 10 C H3' 2 10 C H6 4.000 . 4.100 3.023 2.677 3.241 . 0 0 "[ . 1 ]" 1
201 2 10 C H3' 2 11 U H6 5.000 . 5.500 4.594 4.243 5.209 . 0 0 "[ . 1 ]" 1
202 2 10 C H3' 2 11 U H5 5.000 . 5.500 5.164 4.516 5.504 0.004 2 0 "[ . 1 ]" 1
203 2 10 C H3' 2 12 A H8 5.000 . 5.500 4.136 3.770 4.583 . 0 0 "[ . 1 ]" 1
204 2 10 C H4' 2 10 C H5'' 3.000 . 3.000 2.824 2.551 3.039 0.039 10 0 "[ . 1 ]" 1
205 2 10 C H4' 2 10 C H6 5.000 . 5.500 4.039 3.992 4.135 . 0 0 "[ . 1 ]" 1
206 2 10 C H4' 2 11 U H6 6.000 . 7.000 4.601 3.862 5.130 . 0 0 "[ . 1 ]" 1
207 2 10 C H5 2 10 C H6 3.000 . 3.000 2.451 2.449 2.452 . 0 0 "[ . 1 ]" 1
208 2 10 C H5' 2 10 C H6 5.000 . 5.500 3.880 3.589 3.969 . 0 0 "[ . 1 ]" 1
209 2 10 C H5'' 2 10 C H6 5.000 . 5.500 3.052 2.319 4.112 . 0 0 "[ . 1 ]" 1
210 2 10 C H5 2 12 A H2 6.000 . 7.000 4.750 3.824 5.414 . 0 0 "[ . 1 ]" 1
211 2 11 U H1' 2 11 U H2' 4.000 . 4.100 2.826 2.750 3.014 . 0 0 "[ . 1 ]" 1
212 2 11 U H1' 2 11 U H3' 5.000 . 5.500 3.916 3.896 3.956 . 0 0 "[ . 1 ]" 1
213 2 11 U H1' 2 11 U H4' 4.000 . 4.100 3.228 2.902 3.453 . 0 0 "[ . 1 ]" 1
214 2 11 U H1' 2 11 U H5' 5.000 . 5.500 4.882 4.641 5.236 . 0 0 "[ . 1 ]" 1
215 2 11 U H1' 2 11 U H5'' 5.000 . 5.500 4.979 4.565 5.193 . 0 0 "[ . 1 ]" 1
216 2 11 U H1' 2 11 U H5 5.000 . 5.500 5.300 5.259 5.404 . 0 0 "[ . 1 ]" 1
217 2 11 U H1' 2 11 U H6 4.000 . 4.100 3.526 3.466 3.670 . 0 0 "[ . 1 ]" 1
218 2 11 U H2' 2 11 U H3' 3.000 . 3.000 2.340 2.313 2.354 . 0 0 "[ . 1 ]" 1
219 2 11 U H2' 2 11 U H5 5.000 . 5.500 5.205 4.637 5.365 . 0 0 "[ . 1 ]" 1
220 2 11 U H2' 2 11 U H6 4.000 . 4.100 3.780 2.885 3.987 . 0 0 "[ . 1 ]" 1
221 2 11 U H2' 2 12 A H8 5.000 . 5.500 4.619 3.169 5.111 . 0 0 "[ . 1 ]" 1
222 2 11 U H3' 2 11 U H4' 3.000 . 3.000 3.018 2.935 3.034 0.034 1 0 "[ . 1 ]" 1
223 2 11 U H3' 2 11 U H5' 4.000 . 4.100 3.435 2.756 3.687 . 0 0 "[ . 1 ]" 1
224 2 11 U H3' 2 11 U H5'' 4.000 . 4.100 2.518 2.243 2.838 . 0 0 "[ . 1 ]" 1
225 2 11 U H3' 2 11 U H6 4.000 . 4.100 3.452 3.079 4.110 0.010 2 0 "[ . 1 ]" 1
226 2 11 U H3' 2 12 A H8 3.000 . 3.000 2.779 2.391 3.009 0.009 11 0 "[ . 1 ]" 1
227 2 11 U H4' 2 11 U H5'' 3.000 . 3.000 2.694 2.453 3.039 0.039 6 0 "[ . 1 ]" 1
228 2 11 U H4' 2 11 U H6 5.000 . 5.500 4.160 4.013 4.428 . 0 0 "[ . 1 ]" 1
229 2 11 U H4' 2 12 A H8 5.000 . 5.500 5.198 4.615 5.507 0.007 1 0 "[ . 1 ]" 1
230 2 11 U H5' 2 11 U H6 5.000 . 5.500 3.954 3.558 4.622 . 0 0 "[ . 1 ]" 1
231 2 11 U H5'' 2 11 U H6 5.000 . 5.500 3.825 2.338 4.692 . 0 0 "[ . 1 ]" 1
232 2 11 U H5'' 2 12 A H8 5.000 . 5.500 3.499 2.829 4.017 . 0 0 "[ . 1 ]" 1
233 2 11 U H5' 2 12 A H8 5.000 . 5.500 4.614 2.608 5.507 0.007 7 0 "[ . 1 ]" 1
234 2 11 U H5 2 11 U H6 3.000 . 3.000 2.427 2.426 2.428 . 0 0 "[ . 1 ]" 1
235 2 12 A H1' 2 12 A H2' 3.000 . 3.000 2.741 2.727 2.769 . 0 0 "[ . 1 ]" 1
236 2 12 A H1' 2 12 A H3' 4.000 . 4.100 3.889 3.881 3.898 . 0 0 "[ . 1 ]" 1
237 2 12 A H1' 2 12 A H4' 4.000 . 4.100 3.480 3.373 3.528 . 0 0 "[ . 1 ]" 1
238 2 12 A H1' 2 12 A H5'' 5.000 . 5.500 5.246 5.227 5.262 . 0 0 "[ . 1 ]" 1
239 2 12 A H1' 2 12 A H2 5.000 . 5.500 4.915 4.861 4.997 . 0 0 "[ . 1 ]" 1
240 2 12 A H1' 2 12 A H8 4.000 . 4.100 3.631 3.576 3.666 . 0 0 "[ . 1 ]" 1
241 2 12 A H1' 2 13 C H5 6.000 . 7.000 6.379 6.059 6.638 . 0 0 "[ . 1 ]" 1
242 2 12 A H1' 2 13 C H6 5.000 . 5.500 5.050 5.014 5.086 . 0 0 "[ . 1 ]" 1
243 2 12 A H2' 2 12 A H3' 3.000 . 3.000 2.357 2.353 2.358 . 0 0 "[ . 1 ]" 1
244 2 12 A H2' 2 12 A H4' 4.000 . 4.100 3.892 3.870 3.899 . 0 0 "[ . 1 ]" 1
245 2 12 A H2 2 12 A H2' 5.000 . 5.500 4.273 4.082 4.397 . 0 0 "[ . 1 ]" 1
246 2 12 A H2' 2 12 A H8 5.000 . 5.500 4.176 4.099 4.273 . 0 0 "[ . 1 ]" 1
247 2 12 A H2' 2 13 C H1' 5.000 . 5.500 3.486 3.113 3.768 . 0 0 "[ . 1 ]" 1
248 2 12 A H2' 2 13 C H5 4.000 . 4.100 3.960 3.782 4.101 0.001 10 0 "[ . 1 ]" 1
249 2 12 A H2' 2 13 C H6 3.000 . 3.000 2.344 2.325 2.356 . 0 0 "[ . 1 ]" 1
250 2 12 A H3' 2 12 A H4' 3.000 . 3.000 3.022 3.019 3.027 0.027 2 0 "[ . 1 ]" 1
251 2 12 A H3' 2 12 A H8 4.000 . 4.100 3.526 3.398 3.694 . 0 0 "[ . 1 ]" 1
252 2 12 A H3' 2 13 C H5 4.000 . 4.100 3.219 2.836 3.650 . 0 0 "[ . 1 ]" 1
253 2 12 A H3' 2 13 C H6 4.000 . 4.100 2.758 2.407 3.034 . 0 0 "[ . 1 ]" 1
254 2 12 A H4' 2 12 A H8 5.000 . 5.500 4.360 4.303 4.462 . 0 0 "[ . 1 ]" 1
255 2 12 A H4' 2 13 C H5 6.000 . 7.000 6.192 5.845 6.591 . 0 0 "[ . 1 ]" 1
256 2 12 A H4' 2 13 C H6 6.000 . 7.000 5.115 4.928 5.289 . 0 0 "[ . 1 ]" 1
257 2 12 A H5'' 2 12 A H8 5.000 . 5.500 4.321 4.125 4.608 . 0 0 "[ . 1 ]" 1
258 2 12 A H2 2 13 C H1' 3.000 . 3.000 2.972 2.769 3.013 0.013 4 0 "[ . 1 ]" 1
259 2 12 A H8 2 13 C H5 6.000 . 7.000 5.509 4.854 5.959 . 0 0 "[ . 1 ]" 1
260 2 13 C H1' 2 13 C H2' 3.000 . 3.000 2.744 2.728 2.760 . 0 0 "[ . 1 ]" 1
261 2 13 C H1' 2 13 C H3' 4.000 . 4.100 3.884 3.871 3.895 . 0 0 "[ . 1 ]" 1
262 2 13 C H1' 2 13 C H4' 4.000 . 4.100 3.456 3.410 3.514 . 0 0 "[ . 1 ]" 1
263 2 13 C H1' 2 13 C H6 4.000 . 4.100 3.559 3.546 3.575 . 0 0 "[ . 1 ]" 1
264 2 13 C H1' 2 14 U H6 5.000 . 5.500 5.020 4.865 5.206 . 0 0 "[ . 1 ]" 1
265 2 13 C H2' 2 13 C H3' 3.000 . 3.000 2.359 2.354 2.362 . 0 0 "[ . 1 ]" 1
266 2 13 C H2' 2 13 C H4' 4.000 . 4.100 3.881 3.875 3.891 . 0 0 "[ . 1 ]" 1
267 2 13 C H2' 2 13 C H6 4.000 . 4.100 3.871 3.808 3.921 . 0 0 "[ . 1 ]" 1
268 2 13 C H2' 2 14 U H1' 5.000 . 5.500 4.627 4.037 5.118 . 0 0 "[ . 1 ]" 1
269 2 13 C H2' 2 14 U H5 4.000 . 4.100 3.163 2.714 3.745 . 0 0 "[ . 1 ]" 1
270 2 13 C H2' 2 14 U H6 3.000 . 3.000 2.361 2.322 2.540 . 0 0 "[ . 1 ]" 1
271 2 13 C H3' 2 13 C H5 6.000 . 7.000 4.729 4.675 4.767 . 0 0 "[ . 1 ]" 1
272 2 13 C H3' 2 13 C H6 3.000 . 3.000 3.003 2.978 3.013 0.013 1 0 "[ . 1 ]" 1
273 2 13 C H3' 2 14 U H5 4.000 . 4.100 3.497 2.748 3.934 . 0 0 "[ . 1 ]" 1
274 2 13 C H3' 2 14 U H6 4.000 . 4.100 3.510 3.218 3.843 . 0 0 "[ . 1 ]" 1
275 2 13 C H4' 2 13 C H6 5.000 . 5.500 3.965 3.918 4.000 . 0 0 "[ . 1 ]" 1
276 2 13 C H5' 2 13 C H6 5.000 . 5.500 3.328 3.141 3.424 . 0 0 "[ . 1 ]" 1
277 2 13 C H5'' 2 13 C H6 5.000 . 5.500 3.789 3.728 3.850 . 0 0 "[ . 1 ]" 1
278 2 13 C H5 2 13 C H6 3.000 . 3.000 2.452 2.451 2.453 . 0 0 "[ . 1 ]" 1
279 2 13 C H5 2 14 U H6 6.000 . 7.000 6.740 6.441 7.009 0.009 4 0 "[ . 1 ]" 1
280 2 14 U H1' 2 14 U H6 4.000 . 4.100 3.628 3.596 3.656 . 0 0 "[ . 1 ]" 1
281 2 14 U H2' 2 14 U H6 4.000 . 4.100 3.608 3.522 3.749 . 0 0 "[ . 1 ]" 1
282 2 14 U H2' 2 15 C H5 4.000 . 4.100 3.578 3.190 3.821 . 0 0 "[ . 1 ]" 1
283 2 14 U H3' 2 14 U H5 6.000 . 7.000 4.631 4.448 4.863 . 0 0 "[ . 1 ]" 1
284 2 14 U H3' 2 14 U H6 4.000 . 4.100 2.746 2.561 2.949 . 0 0 "[ . 1 ]" 1
285 2 14 U H3' 2 15 C H5 5.000 . 5.500 3.862 3.503 4.369 . 0 0 "[ . 1 ]" 1
286 2 14 U H3' 2 15 C H6 4.000 . 4.100 3.431 3.095 3.862 . 0 0 "[ . 1 ]" 1
287 2 14 U H4' 2 14 U H6 5.000 . 5.500 3.996 3.859 4.124 . 0 0 "[ . 1 ]" 1
288 2 14 U H5' 2 14 U H6 4.000 . 4.100 3.490 3.280 3.754 . 0 0 "[ . 1 ]" 1
289 2 14 U H5'' 2 14 U H6 5.000 . 5.500 3.826 3.489 4.120 . 0 0 "[ . 1 ]" 1
290 2 14 U H5 2 14 U H6 3.000 . 3.000 2.426 2.426 2.428 . 0 0 "[ . 1 ]" 1
291 2 14 U H5 2 15 C H6 6.000 . 7.000 6.202 5.735 6.610 . 0 0 "[ . 1 ]" 1
292 2 15 C H1' 2 15 C H2' 3.000 . 3.000 2.805 2.778 2.841 . 0 0 "[ . 1 ]" 1
293 2 15 C H1' 2 15 C H6 4.000 . 4.100 3.649 3.616 3.672 . 0 0 "[ . 1 ]" 1
294 2 15 C H1' 2 16 G H8 5.000 . 5.500 5.003 4.584 5.496 . 0 0 "[ . 1 ]" 1
295 2 15 C H2' 2 15 C H6 4.000 . 4.100 3.475 3.352 3.599 . 0 0 "[ . 1 ]" 1
296 2 15 C H2' 2 16 G H8 3.000 . 3.000 2.434 2.324 2.831 . 0 0 "[ . 1 ]" 1
297 2 15 C H3' 2 15 C H6 4.000 . 4.100 2.773 2.550 2.961 . 0 0 "[ . 1 ]" 1
298 2 15 C H3' 2 16 G H8 4.000 . 4.100 3.638 3.122 4.102 0.002 3 0 "[ . 1 ]" 1
299 2 15 C H4' 2 15 C H6 5.000 . 5.500 4.104 4.015 4.199 . 0 0 "[ . 1 ]" 1
300 2 15 C H5' 2 15 C H6 5.000 . 5.500 3.736 3.547 3.932 . 0 0 "[ . 1 ]" 1
301 2 15 C H5'' 2 15 C H6 5.000 . 5.500 4.036 3.850 4.263 . 0 0 "[ . 1 ]" 1
302 2 15 C H5 2 15 C H6 3.000 . 3.000 2.451 2.450 2.453 . 0 0 "[ . 1 ]" 1
303 2 16 G H1' 2 16 G H2' 3.000 . 3.000 2.748 2.718 2.772 . 0 0 "[ . 1 ]" 1
304 2 16 G H1' 2 16 G H3' 4.000 . 4.100 3.892 3.870 3.909 . 0 0 "[ . 1 ]" 1
305 2 16 G H1' 2 16 G H8 4.000 . 4.100 3.851 3.824 3.884 . 0 0 "[ . 1 ]" 1
306 2 16 G H1' 2 17 C H6 5.000 . 5.500 5.099 4.871 5.408 . 0 0 "[ . 1 ]" 1
307 2 16 G H2' 2 17 C H1' 5.000 . 5.500 4.572 3.975 4.954 . 0 0 "[ . 1 ]" 1
308 2 16 G H2' 2 17 C H3' 5.000 . 5.500 4.552 4.446 4.743 . 0 0 "[ . 1 ]" 1
309 2 16 G H2' 2 17 C H5 4.000 . 4.100 3.322 2.987 3.905 . 0 0 "[ . 1 ]" 1
310 2 16 G H2' 2 17 C H6 3.000 . 3.000 2.439 2.334 2.731 . 0 0 "[ . 1 ]" 1
311 2 16 G H3' 2 16 G H8 4.000 . 4.100 2.542 2.352 2.750 . 0 0 "[ . 1 ]" 1
312 2 16 G H3' 2 17 C H5 4.000 . 4.100 3.323 2.845 3.694 . 0 0 "[ . 1 ]" 1
313 2 16 G H3' 2 17 C H6 4.000 . 4.100 3.524 3.239 3.759 . 0 0 "[ . 1 ]" 1
314 2 16 G H4' 2 17 C H5 6.000 . 7.000 6.211 5.805 6.524 . 0 0 "[ . 1 ]" 1
315 2 16 G H4' 2 17 C H6 6.000 . 7.000 5.573 5.486 5.811 . 0 0 "[ . 1 ]" 1
316 2 16 G H5' 2 16 G H8 4.000 . 4.100 3.565 3.227 3.881 . 0 0 "[ . 1 ]" 1
317 2 16 G H5'' 2 16 G H8 5.000 . 5.500 4.024 3.766 4.369 . 0 0 "[ . 1 ]" 1
318 2 16 G H8 2 17 C H5 5.000 . 5.500 4.226 3.677 4.917 . 0 0 "[ . 1 ]" 1
319 2 16 G H8 2 17 C H6 5.000 . 5.500 5.192 4.942 5.418 . 0 0 "[ . 1 ]" 1
320 2 17 C H1' 2 17 C H2' 3.000 . 3.000 2.717 2.714 2.721 . 0 0 "[ . 1 ]" 1
321 2 17 C H1' 2 17 C H3' 4.000 . 4.100 3.803 3.791 3.812 . 0 0 "[ . 1 ]" 1
322 2 17 C H1' 2 17 C H4' 4.000 . 4.100 3.500 3.487 3.507 . 0 0 "[ . 1 ]" 1
323 2 17 C H3' 2 17 C H4' 3.000 . 3.000 3.026 3.025 3.033 0.033 1 0 "[ . 1 ]" 1
324 2 17 C H2' 2 17 C H5 5.000 . 5.500 5.053 5.019 5.106 . 0 0 "[ . 1 ]" 1
325 2 17 C H3' 2 17 C H5 4.000 . 4.100 4.156 4.154 4.161 0.061 2 0 "[ . 1 ]" 1
326 2 17 C H3' 2 17 C H5' 4.000 . 4.100 3.617 3.572 3.663 . 0 0 "[ . 1 ]" 1
327 2 17 C H4' 2 17 C H5' 3.000 . 3.000 2.490 2.428 2.559 . 0 0 "[ . 1 ]" 1
328 2 17 C H3' 2 17 C H5'' 3.000 . 3.000 2.871 2.739 3.010 0.010 4 0 "[ . 1 ]" 1
329 2 17 C H1' 2 17 C H6 4.000 . 4.100 3.659 3.641 3.668 . 0 0 "[ . 1 ]" 1
330 2 17 C H2' 2 17 C H6 4.000 . 4.100 3.576 3.529 3.644 . 0 0 "[ . 1 ]" 1
331 2 17 C H3' 2 17 C H6 4.000 . 4.100 2.293 2.260 2.341 . 0 0 "[ . 1 ]" 1
332 2 17 C H4' 2 17 C H6 5.000 . 5.500 3.807 3.801 3.814 . 0 0 "[ . 1 ]" 1
333 2 17 C H5' 2 17 C H6 4.000 . 4.100 3.177 3.041 3.308 . 0 0 "[ . 1 ]" 1
334 2 17 C H5'' 2 17 C H6 5.000 . 5.500 3.491 3.387 3.596 . 0 0 "[ . 1 ]" 1
335 2 17 C H5 2 17 C H6 3.000 . 3.000 2.443 2.443 2.445 . 0 0 "[ . 1 ]" 1
336 2 1 G H1 2 17 C H42 4.500 . 5.500 4.497 4.362 4.629 . 0 0 "[ . 1 ]" 1
337 2 2 C H41 2 16 G H1 4.500 . 5.500 2.944 2.728 3.122 . 0 0 "[ . 1 ]" 1
338 2 2 C H42 2 16 G H1 4.500 . 5.500 4.391 4.216 4.533 . 0 0 "[ . 1 ]" 1
339 2 3 G H1' 2 16 G H1 5.500 . 7.000 5.798 4.995 6.935 . 0 0 "[ . 1 ]" 1
340 2 3 G H1 2 4 A H1' 5.500 . 7.000 6.541 5.784 7.003 0.003 4 0 "[ . 1 ]" 1
341 2 3 G H1 2 4 A H2 4.500 . 5.500 4.897 4.443 5.494 . 0 0 "[ . 1 ]" 1
342 2 4 A H2 2 14 U H3 4.500 . 5.500 3.065 2.901 3.186 . 0 0 "[ . 1 ]" 1
343 2 5 G H1' 2 14 U H3 5.500 . 7.000 5.674 5.210 6.139 . 0 0 "[ . 1 ]" 1
344 2 5 G H1 2 13 C H41 4.500 . 5.500 3.100 2.807 3.225 . 0 0 "[ . 1 ]" 1
345 2 5 G H1 2 13 C H42 4.500 . 5.500 4.491 4.280 4.587 . 0 0 "[ . 1 ]" 1
346 2 5 G H1 2 14 U H3 5.500 . 7.000 3.454 2.938 3.889 . 0 0 "[ . 1 ]" 1
347 2 5 G H1 2 6 U H1' 5.500 . 7.000 5.611 4.934 6.283 . 0 0 "[ . 1 ]" 1
348 2 8 G H21 2 9 A H1' 4.500 . 5.500 4.460 3.713 5.438 . 0 0 "[ . 1 ]" 1
349 2 8 G H22 2 9 A H1' 4.500 . 5.500 4.330 3.374 5.502 0.002 8 0 "[ . 1 ]" 1
350 2 5 G H1 2 12 A H2 5.500 . 7.000 5.692 5.055 6.409 . 0 0 "[ . 1 ]" 1
351 2 13 C H42 2 13 C H6 5.500 . 7.000 4.637 4.636 4.638 . 0 0 "[ . 1 ]" 1
352 2 5 G H1 2 14 U H1' 5.500 . 7.000 5.251 4.569 5.590 . 0 0 "[ . 1 ]" 1
353 2 3 G H1 2 14 U H3 5.500 . 7.000 5.376 4.653 5.757 . 0 0 "[ . 1 ]" 1
354 2 13 C H41 2 14 U H3 5.500 . 7.000 5.489 5.059 5.740 . 0 0 "[ . 1 ]" 1
355 2 13 C H42 2 14 U H3 5.500 . 7.000 6.714 6.246 7.007 0.007 4 0 "[ . 1 ]" 1
356 2 14 U H3 2 15 C H42 4.500 . 5.500 5.008 4.471 5.484 . 0 0 "[ . 1 ]" 1
357 2 14 U H5 2 15 C H41 5.500 . 7.000 5.813 5.169 6.563 . 0 0 "[ . 1 ]" 1
358 2 14 U H5 2 15 C H42 5.500 . 7.000 4.862 4.099 5.679 . 0 0 "[ . 1 ]" 1
359 2 14 U H3 2 15 C H1' 5.500 . 7.000 5.617 5.206 6.114 . 0 0 "[ . 1 ]" 1
360 2 3 G H1 2 15 C H41 4.500 . 5.500 3.054 2.920 3.228 . 0 0 "[ . 1 ]" 1
361 2 3 G H1 2 15 C H42 4.500 . 5.500 4.469 4.365 4.602 . 0 0 "[ . 1 ]" 1
362 2 3 G H1 2 15 C H5 5.500 . 7.000 5.284 5.185 5.361 . 0 0 "[ . 1 ]" 1
363 2 3 G H1 2 16 G H1' 5.500 . 7.000 6.721 6.461 6.993 . 0 0 "[ . 1 ]" 1
364 2 16 G H1 2 17 C H1' 5.500 . 7.000 6.934 6.826 7.001 0.001 8 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 56
_Distance_constraint_stats_list.Viol_count 1
_Distance_constraint_stats_list.Viol_total 0.029
_Distance_constraint_stats_list.Viol_max 0.003
_Distance_constraint_stats_list.Viol_rms 0.0001
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0027
_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
2 3 G 0.000 0.000 . 0 "[ . 1 ]"
2 4 A 0.000 0.000 . 0 "[ . 1 ]"
2 5 G 0.000 0.000 . 0 "[ . 1 ]"
2 6 U 0.000 0.000 . 0 "[ . 1 ]"
2 7 U 0.000 0.000 . 0 "[ . 1 ]"
2 8 G 0.003 0.003 4 0 "[ . 1 ]"
2 9 A 0.000 0.000 . 0 "[ . 1 ]"
2 10 C 0.000 0.000 . 0 "[ . 1 ]"
2 11 U 0.000 0.000 . 0 "[ . 1 ]"
2 12 A 0.000 0.000 . 0 "[ . 1 ]"
2 13 C 0.000 0.000 . 0 "[ . 1 ]"
2 14 U 0.000 0.000 . 0 "[ . 1 ]"
3 1 MN 0.003 0.003 4 0 "[ . 1 ]"
4 1 MN 0.000 0.000 . 0 "[ . 1 ]"
5 1 MN 0.000 0.000 . 0 "[ . 1 ]"
6 1 MN 0.000 0.000 . 0 "[ . 1 ]"
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_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 2 6 U H5 5 1 MN MN 6.000 . 7.000 5.785 4.463 6.820 . 0 0 "[ . 1 ]" 2
2 2 6 U C5 5 1 MN MN 6.000 . 7.000 6.392 5.453 6.992 . 0 0 "[ . 1 ]" 2
3 2 7 U H5 3 1 MN MN 6.000 . 7.000 5.422 4.168 6.631 . 0 0 "[ . 1 ]" 2
4 2 7 U C5 3 1 MN MN 6.000 . 7.000 5.841 4.613 6.966 . 0 0 "[ . 1 ]" 2
5 2 8 G H8 4 1 MN MN 6.000 . 7.000 4.345 3.703 5.034 . 0 0 "[ . 1 ]" 2
6 2 8 G C8 4 1 MN MN 6.000 . 7.000 4.694 4.060 5.281 . 0 0 "[ . 1 ]" 2
7 2 8 G N7 4 1 MN MN 6.000 . 7.000 4.243 3.690 5.010 . 0 0 "[ . 1 ]" 2
8 2 8 G N9 4 1 MN MN 6.000 . 7.000 5.941 5.240 6.571 . 0 0 "[ . 1 ]" 2
9 2 7 U C6 3 1 MN MN 6.000 . 7.000 6.073 5.161 6.896 . 0 0 "[ . 1 ]" 2
10 2 7 U H6 3 1 MN MN 6.000 . 7.000 5.855 5.190 6.496 . 0 0 "[ . 1 ]" 2
11 2 8 G P 3 1 MN MN 6.000 . 7.000 6.227 5.412 7.003 0.003 4 0 "[ . 1 ]" 2
12 2 9 A P 3 1 MN MN 6.000 . 7.000 5.434 4.907 6.519 . 0 0 "[ . 1 ]" 2
13 2 9 A N7 4 1 MN MN 6.000 . 7.000 5.234 4.847 5.966 . 0 0 "[ . 1 ]" 2
14 2 9 A N9 4 1 MN MN 6.000 . 7.000 6.820 6.680 6.920 . 0 0 "[ . 1 ]" 2
15 2 10 C P 5 1 MN MN 6.000 . 7.000 5.830 4.759 6.905 . 0 0 "[ . 1 ]" 2
16 2 12 A N7 6 1 MN MN 6.000 . 7.000 5.041 4.295 5.524 . 0 0 "[ . 1 ]" 2
17 2 12 A N9 6 1 MN MN 6.000 . 7.000 6.722 6.359 6.999 . 0 0 "[ . 1 ]" 2
18 2 13 C N4 6 1 MN MN 6.000 . 7.000 4.649 3.441 5.711 . 0 0 "[ . 1 ]" 2
19 2 13 C H41 6 1 MN MN 6.000 . 7.000 4.773 3.588 6.128 . 0 0 "[ . 1 ]" 2
20 2 13 C H42 6 1 MN MN 6.000 . 7.000 4.142 2.864 5.446 . 0 0 "[ . 1 ]" 2
21 2 3 G H1' 3 1 MN MN 8.000 7.000 58.000 22.515 21.517 23.784 . 0 0 "[ . 1 ]" 2
22 2 3 G C1' 3 1 MN MN 8.000 7.000 58.000 22.513 21.115 23.686 . 0 0 "[ . 1 ]" 2
23 2 4 A H1' 3 1 MN MN 8.000 7.000 58.000 17.238 16.160 18.104 . 0 0 "[ . 1 ]" 2
24 2 4 A C1' 3 1 MN MN 8.000 7.000 58.000 17.201 15.937 18.224 . 0 0 "[ . 1 ]" 2
25 2 4 A C2 3 1 MN MN 8.000 7.000 58.000 16.764 15.676 18.031 . 0 0 "[ . 1 ]" 2
26 2 4 A H2 3 1 MN MN 8.000 7.000 58.000 16.462 15.472 17.736 . 0 0 "[ . 1 ]" 2
27 2 5 G H1' 3 1 MN MN 8.000 7.000 58.000 12.864 11.797 13.972 . 0 0 "[ . 1 ]" 2
28 2 5 G C1' 3 1 MN MN 8.000 7.000 58.000 12.590 11.385 13.612 . 0 0 "[ . 1 ]" 2
29 2 6 U H1' 3 1 MN MN 8.000 7.000 58.000 10.054 9.473 10.461 . 0 0 "[ . 1 ]" 2
30 2 6 U C1' 3 1 MN MN 8.000 7.000 58.000 9.196 8.507 9.742 . 0 0 "[ . 1 ]" 2
31 2 9 A H1' 3 1 MN MN 8.000 7.000 58.000 11.396 10.891 12.518 . 0 0 "[ . 1 ]" 2
32 2 9 A C1' 3 1 MN MN 8.000 7.000 58.000 10.618 10.139 11.674 . 0 0 "[ . 1 ]" 2
33 2 9 A H2' 3 1 MN MN 8.000 7.000 58.000 11.655 10.978 12.524 . 0 0 "[ . 1 ]" 2
34 2 9 A C2' 3 1 MN MN 8.000 7.000 58.000 11.182 10.618 12.071 . 0 0 "[ . 1 ]" 2
35 2 9 A H4' 3 1 MN MN 8.000 7.000 58.000 9.664 9.020 10.694 . 0 0 "[ . 1 ]" 2
36 2 9 A C4' 3 1 MN MN 8.000 7.000 58.000 9.193 8.665 10.061 . 0 0 "[ . 1 ]" 2
37 2 9 A H2 3 1 MN MN 8.000 7.000 58.000 14.721 13.887 15.916 . 0 0 "[ . 1 ]" 2
38 2 9 A C2 3 1 MN MN 8.000 7.000 58.000 13.692 12.874 14.874 . 0 0 "[ . 1 ]" 2
39 2 9 A C8 3 1 MN MN 8.000 7.000 58.000 9.497 8.901 10.579 . 0 0 "[ . 1 ]" 2
40 2 10 C H5 3 1 MN MN 8.000 7.000 58.000 10.627 9.900 11.759 . 0 0 "[ . 1 ]" 2
41 2 10 C C5 3 1 MN MN 8.000 7.000 58.000 11.595 10.805 12.704 . 0 0 "[ . 1 ]" 2
42 2 11 U H5 3 1 MN MN 8.000 7.000 58.000 18.609 17.933 19.452 . 0 0 "[ . 1 ]" 2
43 2 11 U C5 3 1 MN MN 8.000 7.000 58.000 19.376 18.671 20.188 . 0 0 "[ . 1 ]" 2
44 2 11 U H6 3 1 MN MN 8.000 7.000 58.000 18.984 18.068 20.392 . 0 0 "[ . 1 ]" 2
45 2 11 U C6 3 1 MN MN 8.000 7.000 58.000 19.580 18.797 20.594 . 0 0 "[ . 1 ]" 2
46 2 12 A H1' 3 1 MN MN 8.000 7.000 58.000 15.518 14.696 16.444 . 0 0 "[ . 1 ]" 2
47 2 12 A C1' 3 1 MN MN 8.000 7.000 58.000 16.046 15.154 17.002 . 0 0 "[ . 1 ]" 2
48 2 12 A N3 3 1 MN MN 8.000 7.000 58.000 13.488 12.594 14.270 . 0 0 "[ . 1 ]" 2
49 2 12 A H2 3 1 MN MN 8.000 7.000 58.000 12.018 11.208 12.582 . 0 0 "[ . 1 ]" 2
50 2 12 A C2 3 1 MN MN 8.000 7.000 58.000 12.448 11.518 13.173 . 0 0 "[ . 1 ]" 2
51 2 13 C H1' 3 1 MN MN 8.000 7.000 58.000 14.496 13.912 15.275 . 0 0 "[ . 1 ]" 2
52 2 13 C C1' 3 1 MN MN 8.000 7.000 58.000 15.538 14.916 16.327 . 0 0 "[ . 1 ]" 2
53 2 13 C H2' 3 1 MN MN 8.000 7.000 58.000 16.321 15.781 17.281 . 0 0 "[ . 1 ]" 2
54 2 13 C C2' 3 1 MN MN 8.000 7.000 58.000 16.219 15.640 17.107 . 0 0 "[ . 1 ]" 2
55 2 14 U H6 3 1 MN MN 8.000 7.000 58.000 17.607 16.725 18.597 . 0 0 "[ . 1 ]" 2
56 2 14 U C6 3 1 MN MN 8.000 7.000 58.000 17.353 16.383 18.356 . 0 0 "[ . 1 ]" 2
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