NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
593309 |
2n2o   |
25603 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n2o
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 320
_Distance_constraint_stats_list.Viol_count 616
_Distance_constraint_stats_list.Viol_total 481.867
_Distance_constraint_stats_list.Viol_max 0.999
_Distance_constraint_stats_list.Viol_rms 0.0444
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0151
_Distance_constraint_stats_list.Viol_average_violations_only 0.0782
_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 0.683 0.189 7 0 "[ . 1]"
1 2 C 2.257 0.171 8 0 "[ . 1]"
1 3 A 3.249 0.207 1 0 "[ . 1]"
1 4 U 2.698 0.245 10 0 "[ . 1]"
1 5 G 2.072 0.204 8 0 "[ . 1]"
1 6 U 0.479 0.105 2 0 "[ . 1]"
1 7 U 2.448 0.164 10 0 "[ . 1]"
1 8 U 2.765 0.256 4 0 "[ . 1]"
1 9 U 4.587 0.209 2 0 "[ . 1]"
1 10 C 2.361 0.188 1 0 "[ . 1]"
1 11 U 3.375 0.188 1 0 "[ . 1]"
1 12 G 3.396 0.247 8 0 "[ . 1]"
1 13 U 0.807 0.084 9 0 "[ . 1]"
1 14 G 5.122 0.215 7 0 "[ . 1]"
1 15 A 4.448 0.215 7 0 "[ . 1]"
1 16 A 5.773 0.259 6 0 "[ . 1]"
1 17 A 6.800 0.261 5 0 "[ . 1]"
1 18 A 5.764 0.267 6 0 "[ . 1]"
1 19 C 4.942 0.301 1 0 "[ . 1]"
1 20 G 1.618 0.246 6 0 "[ . 1]"
1 21 G 1.946 0.999 3 1 "[ + . 1]"
1 22 U 2.457 0.999 3 1 "[ + . 1]"
1 23 U 0.242 0.190 6 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 G H1' 1 1 G H4' 3.000 2.400 4.000 3.258 2.860 3.548 . 0 0 "[ . 1]" 1
2 1 1 G H2' 1 2 C H1' 3.000 2.400 4.000 3.760 3.456 4.022 0.022 1 0 "[ . 1]" 1
3 1 1 G H4' 1 1 G H8 4.400 3.000 6.000 4.838 4.138 5.838 . 0 0 "[ . 1]" 1
4 1 1 G H2' 1 2 C H5 3.000 2.400 4.000 3.715 3.070 4.104 0.104 1 0 "[ . 1]" 1
5 1 1 G H1' 1 1 G H3' 3.000 2.400 4.000 3.877 3.705 3.972 . 0 0 "[ . 1]" 1
6 1 1 G H2' 1 1 G H8 3.000 2.400 4.000 3.389 2.347 4.189 0.189 7 0 "[ . 1]" 1
7 1 1 G H1' 1 1 G H8 3.000 2.400 4.000 3.524 2.681 3.860 . 0 0 "[ . 1]" 1
8 1 1 G H2' 1 2 C H6 3.000 2.400 4.000 3.096 2.550 3.555 . 0 0 "[ . 1]" 1
9 1 1 G H1' 1 1 G H2' 3.000 2.400 4.000 2.941 2.790 3.094 . 0 0 "[ . 1]" 1
10 1 1 G H5'' 1 1 G H8 4.400 3.000 6.000 4.430 2.934 6.025 0.066 1 0 "[ . 1]" 1
11 1 2 C H3' 1 2 C H5 4.400 3.000 6.000 5.021 4.450 5.888 . 0 0 "[ . 1]" 1
12 1 2 C H5 1 2 C H6 2.200 . 3.000 2.444 2.425 2.470 . 0 0 "[ . 1]" 1
13 1 2 C H1' 1 2 C H3' 3.000 2.400 4.000 3.977 3.874 4.036 0.036 7 0 "[ . 1]" 1
14 1 2 C H1' 1 2 C H2' 2.200 . 3.000 2.858 2.791 2.965 . 0 0 "[ . 1]" 1
15 1 2 C H4' 1 2 C H5' 2.200 . 3.000 2.276 2.192 2.513 . 0 0 "[ . 1]" 1
16 1 2 C H2' 1 2 C H3' 2.200 . 3.000 2.354 2.316 2.412 . 0 0 "[ . 1]" 1
17 1 2 C H2' 1 2 C H5 4.400 3.000 6.000 5.092 4.825 5.418 . 0 0 "[ . 1]" 1
18 1 2 C H1' 1 2 C H6 3.000 2.400 4.000 3.585 3.300 3.677 . 0 0 "[ . 1]" 1
19 1 2 C H3' 1 2 C H6 3.000 2.400 4.000 2.997 2.393 3.814 0.007 5 0 "[ . 1]" 1
20 1 2 C H1' 1 2 C H4' 3.000 2.400 4.000 3.391 3.106 3.609 . 0 0 "[ . 1]" 1
21 1 2 C H3' 1 2 C H5' 3.000 2.400 4.000 3.516 3.282 3.704 . 0 0 "[ . 1]" 1
22 1 2 C H3' 1 2 C H4' 3.000 2.400 4.000 2.954 2.902 3.001 . 0 0 "[ . 1]" 1
23 1 2 C H4' 1 2 C H6 3.000 2.400 4.000 3.998 3.757 4.171 0.171 8 0 "[ . 1]" 1
24 1 2 C H2' 1 2 C H6 3.000 2.400 4.000 3.503 3.244 4.163 0.163 1 0 "[ . 1]" 1
25 1 2 C H2' 1 3 A H1' 3.000 2.400 4.000 3.973 3.634 4.109 0.109 1 0 "[ . 1]" 1
26 1 3 A H1' 1 3 A H4' 3.000 2.400 4.000 3.492 3.267 3.738 . 0 0 "[ . 1]" 1
27 1 2 C H1' 1 3 A H8 4.400 3.000 6.000 5.331 3.742 6.089 0.089 8 0 "[ . 1]" 1
28 1 2 C H2' 1 3 A H8 3.000 2.400 4.000 2.920 2.297 3.872 0.103 4 0 "[ . 1]" 1
29 1 2 C H3' 1 3 A H8 3.000 2.400 4.000 3.381 2.364 4.085 0.085 6 0 "[ . 1]" 1
30 1 2 C H4' 1 3 A H8 4.400 3.000 6.000 5.496 4.437 6.100 0.100 5 0 "[ . 1]" 1
31 1 3 A H5' 1 3 A H8 3.000 2.400 4.000 3.342 2.394 4.096 0.096 7 0 "[ . 1]" 1
32 1 3 A H1' 1 3 A H5'' 4.400 3.000 6.000 4.542 4.211 5.085 . 0 0 "[ . 1]" 1
33 1 3 A H4' 1 3 A H8 4.400 3.000 6.000 4.558 4.318 4.770 . 0 0 "[ . 1]" 1
34 1 3 A H2 1 4 U H1' 4.400 3.000 6.000 5.728 5.192 6.076 0.076 7 0 "[ . 1]" 1
35 1 3 A H1' 1 3 A H2' 3.000 2.400 4.000 3.054 3.020 3.080 . 0 0 "[ . 1]" 1
36 1 3 A H2' 1 3 A H8 3.000 2.400 4.000 2.673 2.290 2.991 0.110 1 0 "[ . 1]" 1
37 1 3 A H1' 1 3 A H5' 4.400 3.000 6.000 4.612 4.173 4.954 . 0 0 "[ . 1]" 1
38 1 3 A H4' 1 3 A H5' 2.200 . 3.000 2.721 2.501 3.012 0.012 6 0 "[ . 1]" 1
39 1 3 A H1' 1 3 A H8 3.000 2.400 4.000 3.861 3.823 3.885 . 0 0 "[ . 1]" 1
40 1 3 A H4' 1 3 A H5'' 2.200 . 3.000 2.670 2.205 3.014 0.014 7 0 "[ . 1]" 1
41 1 4 U H2' 1 4 U H6 3.000 2.400 4.000 3.823 3.062 4.245 0.245 10 0 "[ . 1]" 1
42 1 4 U H1' 1 4 U H6 3.000 2.400 4.000 3.262 2.263 3.604 0.137 9 0 "[ . 1]" 1
43 1 4 U H1' 1 4 U H3' 3.000 2.400 4.000 3.955 3.884 4.049 0.049 5 0 "[ . 1]" 1
44 1 3 A H4' 1 4 U H6 3.000 2.400 4.000 3.505 2.964 4.171 0.171 9 0 "[ . 1]" 1
45 1 4 U H1' 1 4 U H4' 3.000 2.400 4.000 3.314 2.531 3.758 . 0 0 "[ . 1]" 1
46 1 3 A H1' 1 4 U H6 3.000 2.400 4.000 2.592 2.349 2.811 0.051 7 0 "[ . 1]" 1
47 1 4 U H2' 1 4 U H5 4.400 3.000 6.000 5.266 4.682 5.614 . 0 0 "[ . 1]" 1
48 1 3 A H8 1 4 U H6 4.400 3.000 6.000 5.935 4.757 6.207 0.207 1 0 "[ . 1]" 1
49 1 4 U H1' 1 4 U H2' 3.000 2.400 4.000 2.953 2.762 3.078 . 0 0 "[ . 1]" 1
50 1 4 U H5 1 4 U H6 3.000 2.400 4.000 2.431 2.406 2.455 . 0 0 "[ . 1]" 1
51 1 3 A H4' 1 4 U H1' 3.000 2.400 4.000 3.897 2.783 4.123 0.123 8 0 "[ . 1]" 1
52 1 5 G H4' 1 5 G H8 3.000 2.400 4.000 4.123 4.037 4.204 0.204 8 0 "[ . 1]" 1
53 1 5 G H3' 1 5 G H8 3.000 2.400 4.000 3.122 2.784 3.388 . 0 0 "[ . 1]" 1
54 1 5 G H1' 1 5 G H5' 4.400 3.000 6.000 4.832 4.695 4.947 . 0 0 "[ . 1]" 1
55 1 5 G H1' 1 5 G H3' 3.000 2.400 4.000 3.909 3.853 3.972 . 0 0 "[ . 1]" 1
56 1 5 G H3' 1 6 U H6 3.000 2.400 4.000 3.134 2.734 3.728 . 0 0 "[ . 1]" 1
57 1 5 G H5' 1 5 G H8 3.000 2.400 4.000 3.621 3.294 3.897 . 0 0 "[ . 1]" 1
58 1 4 U H1' 1 5 G H8 4.400 3.000 6.000 5.774 4.987 6.076 0.076 2 0 "[ . 1]" 1
59 1 5 G H1' 1 6 U H6 4.400 3.000 6.000 5.253 5.059 5.449 . 0 0 "[ . 1]" 1
60 1 5 G H1' 1 5 G H2' 3.000 2.400 4.000 2.791 2.764 2.817 . 0 0 "[ . 1]" 1
61 1 5 G H1' 1 5 G H5'' 4.400 3.000 6.000 5.165 5.082 5.239 . 0 0 "[ . 1]" 1
62 1 5 G H1' 1 5 G H8 3.000 2.400 4.000 3.660 3.585 3.736 . 0 0 "[ . 1]" 1
63 1 5 G H2' 1 5 G H8 3.000 2.400 4.000 4.017 3.863 4.129 0.129 7 0 "[ . 1]" 1
64 1 5 G H5'' 1 5 G H8 3.000 2.400 4.000 3.672 3.436 3.864 . 0 0 "[ . 1]" 1
65 1 6 U H5 1 6 U H6 3.000 2.400 4.000 2.428 2.414 2.439 . 0 0 "[ . 1]" 1
66 1 6 U H5'' 1 6 U H6 3.000 2.400 4.000 3.576 2.979 3.963 . 0 0 "[ . 1]" 1
67 1 5 G H2' 1 6 U H6 3.000 2.400 4.000 2.506 2.379 2.650 0.021 9 0 "[ . 1]" 1
68 1 5 G H8 1 6 U H5 4.400 3.000 6.200 4.980 3.962 5.620 . 0 0 "[ . 1]" 1
69 1 6 U H1' 1 6 U H6 3.000 2.400 4.000 3.515 3.422 3.543 . 0 0 "[ . 1]" 1
70 1 6 U H2' 1 6 U H6 3.000 2.400 4.000 3.833 3.775 3.947 . 0 0 "[ . 1]" 1
71 1 6 U H3' 1 6 U H6 3.000 2.400 4.000 2.828 2.585 3.362 . 0 0 "[ . 1]" 1
72 1 6 U H1' 1 6 U H2' 3.000 2.400 4.000 2.802 2.755 2.847 . 0 0 "[ . 1]" 1
73 1 5 G H3' 1 6 U H5 3.000 2.400 4.000 3.474 3.030 3.911 . 0 0 "[ . 1]" 1
74 1 5 G H2' 1 6 U H5 3.000 2.400 4.000 3.869 3.413 4.105 0.105 2 0 "[ . 1]" 1
75 1 6 U H5' 1 6 U H6 3.000 2.400 4.000 3.611 3.446 3.998 . 0 0 "[ . 1]" 1
76 1 6 U H1' 1 6 U H5' 4.400 3.000 6.000 4.811 4.700 4.975 . 0 0 "[ . 1]" 1
77 1 7 U H5' 1 7 U H6 3.000 2.400 4.000 3.447 3.039 4.110 0.110 8 0 "[ . 1]" 1
78 1 7 U H1' 1 7 U H6 3.000 2.400 4.000 3.581 3.548 3.614 . 0 0 "[ . 1]" 1
79 1 6 U H3' 1 7 U H6 2.200 . 3.000 2.825 2.644 3.001 0.001 10 0 "[ . 1]" 1
80 1 7 U H4' 1 7 U H6 3.000 2.400 4.000 4.026 3.959 4.121 0.121 8 0 "[ . 1]" 1
81 1 7 U H5'' 1 7 U H6 3.000 2.400 4.000 3.957 3.790 4.069 0.069 1 0 "[ . 1]" 1
82 1 7 U H1' 1 18 A H2 3.000 2.400 4.000 4.029 3.575 4.124 0.124 4 0 "[ . 1]" 1
83 1 7 U H5 1 7 U H6 2.200 . 3.000 2.419 2.404 2.434 . 0 0 "[ . 1]" 1
84 1 7 U H2' 1 7 U H6 3.000 2.400 4.000 3.845 3.722 3.918 . 0 0 "[ . 1]" 1
85 1 7 U H1' 1 7 U H2' 2.200 . 3.000 2.784 2.763 2.827 . 0 0 "[ . 1]" 1
86 1 7 U H3' 1 7 U H6 3.000 2.400 4.000 2.726 2.544 2.852 . 0 0 "[ . 1]" 1
87 1 6 U H1' 1 7 U H6 4.400 3.000 6.000 5.058 4.857 5.324 . 0 0 "[ . 1]" 1
88 1 6 U H6 1 7 U H5 3.000 2.400 4.000 4.007 3.878 4.098 0.098 9 0 "[ . 1]" 1
89 1 8 U H1' 1 8 U H2' 3.000 2.400 4.000 2.872 2.803 2.917 . 0 0 "[ . 1]" 1
90 1 7 U H2' 1 8 U H6 2.200 . 3.000 2.894 2.636 3.038 0.038 2 0 "[ . 1]" 1
91 1 8 U H2' 1 9 U H6 3.000 2.400 4.000 2.455 2.344 2.621 0.056 7 0 "[ . 1]" 1
92 1 8 U H1' 1 17 A H2 3.000 2.400 4.000 3.777 3.464 4.010 0.010 1 0 "[ . 1]" 1
93 1 8 U H4' 1 8 U H6 3.000 2.400 4.000 4.186 4.082 4.256 0.256 4 0 "[ . 1]" 1
94 1 7 U H2' 1 8 U H1' 3.000 2.400 4.000 4.065 4.006 4.164 0.164 10 0 "[ . 1]" 1
95 1 8 U H2' 1 8 U H6 3.000 2.400 4.000 3.610 3.491 3.835 . 0 0 "[ . 1]" 1
96 1 9 U H1' 1 9 U H6 3.000 2.400 4.000 3.680 3.658 3.697 . 0 0 "[ . 1]" 1
97 1 9 U H2' 1 10 C H6 3.000 2.400 4.000 2.900 2.382 3.171 0.018 6 0 "[ . 1]" 1
98 1 9 U H3' 1 10 C H5 3.000 2.400 4.000 3.727 3.506 4.010 0.010 4 0 "[ . 1]" 1
99 1 9 U H1' 1 9 U H4' 3.000 2.400 4.000 3.282 3.142 3.462 . 0 0 "[ . 1]" 1
100 1 9 U H1' 1 9 U H5' 4.400 3.000 6.000 4.606 4.473 4.787 . 0 0 "[ . 1]" 1
101 1 9 U H2' 1 9 U H6 3.000 2.400 4.000 3.507 3.390 3.595 . 0 0 "[ . 1]" 1
102 1 9 U H3' 1 9 U H5 3.000 2.400 4.000 4.165 4.089 4.204 0.204 4 0 "[ . 1]" 1
103 1 8 U H2' 1 9 U H5 3.000 2.400 4.000 3.611 3.175 4.056 0.056 6 0 "[ . 1]" 1
104 1 9 U H4' 1 9 U H6 3.000 2.400 4.000 4.062 3.935 4.140 0.140 9 0 "[ . 1]" 1
105 1 9 U H5 1 9 U H6 3.000 2.400 4.000 2.370 2.363 2.376 0.037 4 0 "[ . 1]" 1
106 1 9 U H2' 1 9 U H3' 3.000 2.400 4.000 2.421 2.397 2.436 0.003 4 0 "[ . 1]" 1
107 1 9 U H3' 1 9 U H6 2.200 . 3.000 2.274 2.202 2.341 . 0 0 "[ . 1]" 1
108 1 9 U H1' 1 9 U H2' 3.000 2.400 4.000 2.803 2.764 2.831 . 0 0 "[ . 1]" 1
109 1 10 C H1' 1 11 U H3' 3.000 2.400 4.000 4.118 4.001 4.188 0.188 1 0 "[ . 1]" 1
110 1 9 U H2' 1 10 C H5 3.000 2.400 4.000 3.881 2.911 4.100 0.100 4 0 "[ . 1]" 1
111 1 10 C H2' 1 11 U H5 4.400 3.000 6.000 5.341 5.099 5.515 . 0 0 "[ . 1]" 1
112 1 10 C H2' 1 10 C H5 4.400 3.000 6.000 5.108 4.982 5.225 . 0 0 "[ . 1]" 1
113 1 10 C H1' 1 11 U H5' 4.400 3.000 6.000 5.401 5.138 5.535 . 0 0 "[ . 1]" 1
114 1 10 C H1' 1 10 C H6 3.000 2.400 4.000 3.648 3.600 3.682 . 0 0 "[ . 1]" 1
115 1 10 C H1' 1 10 C H4' 3.000 2.400 4.000 3.541 3.448 3.619 . 0 0 "[ . 1]" 1
116 1 9 U H3' 1 10 C H6 3.000 2.400 4.000 3.360 3.086 3.892 . 0 0 "[ . 1]" 1
117 1 9 U H1' 1 10 C H6 4.400 3.000 6.000 5.654 5.074 5.903 . 0 0 "[ . 1]" 1
118 1 10 C H5' 1 10 C H6 3.000 2.400 4.000 3.584 3.507 3.654 . 0 0 "[ . 1]" 1
119 1 10 C H5'' 1 10 C H6 3.000 2.400 4.000 3.139 2.660 3.600 . 0 0 "[ . 1]" 1
120 1 10 C H1' 1 11 U H5'' 3.000 2.400 4.000 3.967 3.850 4.030 0.030 4 0 "[ . 1]" 1
121 1 10 C H4' 1 11 U H5 3.000 2.400 4.000 3.813 3.352 4.050 0.050 3 0 "[ . 1]" 1
122 1 10 C H3' 1 10 C H6 3.000 2.400 4.000 2.392 2.340 2.526 0.060 6 0 "[ . 1]" 1
123 1 10 C H3' 1 10 C H5 3.000 2.400 4.000 4.039 3.964 4.093 0.093 9 0 "[ . 1]" 1
124 1 10 C H1' 1 10 C H2' 3.000 2.400 4.000 2.743 2.720 2.760 . 0 0 "[ . 1]" 1
125 1 10 C H6 1 11 U H5'' 4.400 3.000 6.000 4.612 4.492 4.797 . 0 0 "[ . 1]" 1
126 1 10 C H5 1 10 C H6 3.000 2.400 4.000 2.410 2.400 2.421 0.000 8 0 "[ . 1]" 1
127 1 10 C H2' 1 11 U H6 3.000 2.400 4.000 3.469 3.315 3.643 . 0 0 "[ . 1]" 1
128 1 10 C H2' 1 10 C H6 3.000 2.400 4.000 3.765 3.671 3.879 . 0 0 "[ . 1]" 1
129 1 10 C H4' 1 10 C H6 3.000 2.400 4.000 3.847 3.747 3.961 . 0 0 "[ . 1]" 1
130 1 11 U H1' 1 11 U H5'' 4.400 3.000 6.000 4.579 4.457 4.649 . 0 0 "[ . 1]" 1
131 1 11 U H4' 1 11 U H5'' 2.200 . 3.000 2.885 2.860 2.931 . 0 0 "[ . 1]" 1
132 1 11 U H5 1 11 U H6 3.000 2.400 4.000 2.409 2.403 2.418 . 0 0 "[ . 1]" 1
133 1 11 U H2' 1 11 U H6 3.000 2.400 4.000 2.604 2.490 2.662 . 0 0 "[ . 1]" 1
134 1 11 U H5' 1 11 U H6 3.000 2.400 4.000 3.717 3.660 3.766 . 0 0 "[ . 1]" 1
135 1 11 U H4' 1 12 G H4' 4.400 3.000 6.000 5.444 5.035 5.732 . 0 0 "[ . 1]" 1
136 1 11 U H3' 1 11 U H6 3.000 2.400 4.000 3.957 3.830 4.077 0.077 3 0 "[ . 1]" 1
137 1 10 C H3' 1 11 U H6 3.000 2.400 4.000 3.892 3.752 4.031 0.031 9 0 "[ . 1]" 1
138 1 11 U H4' 1 11 U H6 3.000 2.400 4.000 4.076 4.035 4.099 0.099 1 0 "[ . 1]" 1
139 1 11 U H4' 1 11 U H5' 2.200 . 3.000 2.204 2.196 2.234 . 0 0 "[ . 1]" 1
140 1 11 U H3' 1 11 U H5' 3.000 2.400 4.000 3.141 2.982 3.204 . 0 0 "[ . 1]" 1
141 1 11 U H3' 1 11 U H4' 2.200 . 3.000 2.685 2.667 2.703 . 0 0 "[ . 1]" 1
142 1 11 U H1' 1 11 U H3' 3.000 2.400 4.000 3.992 3.947 4.028 0.028 7 0 "[ . 1]" 1
143 1 11 U H3' 1 11 U H5'' 3.000 2.400 4.000 2.330 2.286 2.404 0.114 6 0 "[ . 1]" 1
144 1 11 U H1' 1 11 U H5' 4.400 3.000 6.000 5.096 5.082 5.112 . 0 0 "[ . 1]" 1
145 1 11 U H1' 1 11 U H6 3.000 2.400 4.000 3.683 3.677 3.691 . 0 0 "[ . 1]" 1
146 1 11 U H1' 1 11 U H4' 3.000 2.400 4.000 3.580 3.555 3.596 . 0 0 "[ . 1]" 1
147 1 10 C H1' 1 11 U H6 4.400 3.000 6.000 5.303 5.048 5.476 . 0 0 "[ . 1]" 1
148 1 11 U H5'' 1 11 U H6 3.000 2.400 4.000 2.595 2.399 2.721 0.001 10 0 "[ . 1]" 1
149 1 11 U H2' 1 11 U H5 4.400 3.000 6.000 4.438 4.407 4.463 . 0 0 "[ . 1]" 1
150 1 12 G H3' 1 12 G H5'' 3.000 2.400 4.000 2.428 2.323 2.561 0.077 4 0 "[ . 1]" 1
151 1 11 U H3' 1 12 G H8 3.000 2.400 4.000 3.486 2.958 4.003 0.003 10 0 "[ . 1]" 1
152 1 12 G H1' 1 12 G H8 3.000 2.400 4.000 3.828 3.806 3.840 . 0 0 "[ . 1]" 1
153 1 12 G H1' 1 12 G H5' 4.400 3.000 6.000 5.024 4.938 5.119 . 0 0 "[ . 1]" 1
154 1 12 G H3' 1 13 U H6 3.000 2.400 4.000 3.797 3.644 4.009 0.009 7 0 "[ . 1]" 1
155 1 12 G H3' 1 12 G H5' 3.000 2.400 4.000 2.766 2.652 2.922 . 0 0 "[ . 1]" 1
156 1 12 G H3' 1 12 G H8 3.000 2.400 4.000 4.191 4.106 4.247 0.247 8 0 "[ . 1]" 1
157 1 12 G H2' 1 12 G H3' 2.200 . 3.000 2.356 2.339 2.377 . 0 0 "[ . 1]" 1
158 1 11 U H3' 1 12 G H5'' 3.000 2.400 4.000 3.849 3.635 4.007 0.007 10 0 "[ . 1]" 1
159 1 12 G H4' 1 12 G H5' 2.200 . 3.000 2.300 2.266 2.334 . 0 0 "[ . 1]" 1
160 1 12 G H3' 1 12 G H4' 3.000 2.400 4.000 2.766 2.688 2.839 . 0 0 "[ . 1]" 1
161 1 12 G H2' 1 12 G H8 3.000 2.400 4.000 2.709 2.586 2.865 . 0 0 "[ . 1]" 1
162 1 12 G H2' 1 12 G H4' 3.000 2.400 4.000 3.926 3.896 3.953 . 0 0 "[ . 1]" 1
163 1 12 G H1' 1 12 G H4' 3.000 2.400 4.000 3.280 3.053 3.631 . 0 0 "[ . 1]" 1
164 1 12 G H1' 1 12 G H2' 3.000 2.400 4.000 3.055 3.026 3.072 . 0 0 "[ . 1]" 1
165 1 11 U H3' 1 12 G H4' 4.400 3.000 6.000 5.992 5.862 6.053 0.053 2 0 "[ . 1]" 1
166 1 12 G H1' 1 12 G H3' 3.000 2.400 4.000 3.945 3.898 4.024 0.024 10 0 "[ . 1]" 1
167 1 12 G H4' 1 12 G H8 4.400 3.000 6.000 4.571 4.266 4.757 . 0 0 "[ . 1]" 1
168 1 13 U H5 1 13 U H6 3.000 2.400 4.000 2.403 2.381 2.414 0.019 3 0 "[ . 1]" 1
169 1 13 U H1' 1 13 U H2' 3.000 2.400 4.000 3.085 3.078 3.089 . 0 0 "[ . 1]" 1
170 1 12 G H1' 1 13 U H6 3.000 2.400 4.000 4.055 4.026 4.084 0.084 9 0 "[ . 1]" 1
171 1 13 U H2' 1 13 U H6 2.200 . 3.000 2.746 2.461 2.944 . 0 0 "[ . 1]" 1
172 1 13 U H3' 1 13 U H5'' 3.000 2.400 4.000 2.653 2.461 2.829 . 0 0 "[ . 1]" 1
173 1 12 G H1' 1 13 U H5' 3.000 2.400 4.000 3.610 2.966 4.046 0.046 1 0 "[ . 1]" 1
174 1 12 G H1' 1 13 U H5'' 4.400 3.000 6.000 5.268 4.601 5.676 . 0 0 "[ . 1]" 1
175 1 13 U H5'' 1 13 U H6 4.400 3.000 6.000 4.703 4.582 4.990 . 0 0 "[ . 1]" 1
176 1 13 U H4' 1 13 U H5' 2.200 . 3.000 2.501 2.399 2.596 . 0 0 "[ . 1]" 1
177 1 13 U H1' 1 13 U H4' 3.000 2.400 4.000 3.087 2.891 3.169 . 0 0 "[ . 1]" 1
178 1 13 U H4' 1 13 U H5'' 2.200 . 3.000 2.349 2.274 2.434 . 0 0 "[ . 1]" 1
179 1 13 U H1' 1 13 U H3' 3.000 2.400 4.000 3.767 3.620 3.831 . 0 0 "[ . 1]" 1
180 1 12 G H3' 1 13 U H5' 3.000 2.400 4.000 3.690 3.460 3.941 . 0 0 "[ . 1]" 1
181 1 13 U H3' 1 13 U H5' 3.000 2.400 4.000 3.685 3.643 3.730 . 0 0 "[ . 1]" 1
182 1 13 U H4' 1 13 U H6 4.400 3.000 6.000 4.517 4.394 4.734 . 0 0 "[ . 1]" 1
183 1 12 G H1' 1 13 U H4' 4.400 3.000 6.000 4.523 4.198 4.946 . 0 0 "[ . 1]" 1
184 1 13 U H1' 1 13 U H6 3.000 2.400 4.000 3.690 3.633 3.767 . 0 0 "[ . 1]" 1
185 1 13 U H2' 1 13 U H3' 2.200 . 3.000 2.427 2.384 2.485 . 0 0 "[ . 1]" 1
186 1 13 U H5' 1 13 U H6 4.400 3.000 6.000 3.682 3.497 3.974 . 0 0 "[ . 1]" 1
187 1 14 G H5'' 1 14 G H8 3.000 2.400 4.000 3.212 2.745 3.563 . 0 0 "[ . 1]" 1
188 1 14 G H1' 1 14 G H3' 3.000 2.400 4.000 3.986 3.959 4.015 0.015 3 0 "[ . 1]" 1
189 1 14 G H1' 1 14 G H4' 3.000 2.400 4.000 3.071 2.974 3.204 . 0 0 "[ . 1]" 1
190 1 14 G H1' 1 14 G H2' 3.000 2.400 4.000 2.965 2.902 2.995 . 0 0 "[ . 1]" 1
191 1 14 G H2' 1 14 G H5' 3.000 2.400 4.000 4.119 4.031 4.196 0.196 3 0 "[ . 1]" 1
192 1 14 G H4' 1 14 G H8 4.400 3.000 6.000 4.644 4.566 4.729 . 0 0 "[ . 1]" 1
193 1 14 G H1' 1 14 G H5'' 4.400 3.000 6.000 4.351 4.334 4.375 . 0 0 "[ . 1]" 1
194 1 14 G H3' 1 14 G H5' 2.200 . 3.000 2.137 2.116 2.227 . 0 0 "[ . 1]" 1
195 1 14 G H3' 1 14 G H8 3.000 2.400 4.000 3.780 3.227 4.013 0.013 8 0 "[ . 1]" 1
196 1 13 U H3' 1 14 G H1' 4.400 3.000 6.000 5.472 5.104 6.069 0.069 3 0 "[ . 1]" 1
197 1 14 G H1' 1 15 A H8 3.000 2.400 4.000 4.138 4.066 4.215 0.215 7 0 "[ . 1]" 1
198 1 14 G H2' 1 14 G H8 3.000 2.400 4.000 3.248 3.055 3.590 . 0 0 "[ . 1]" 1
199 1 12 G H4' 1 14 G H1' 3.000 2.400 4.000 4.020 3.819 4.113 0.113 10 0 "[ . 1]" 1
200 1 13 U H4' 1 14 G H1' 3.000 2.400 4.000 3.208 2.659 3.764 . 0 0 "[ . 1]" 1
201 1 14 G H1' 1 15 A H5' 3.000 2.400 4.000 4.089 4.018 4.155 0.155 1 0 "[ . 1]" 1
202 1 14 G H2' 1 14 G H4' 3.000 2.400 4.000 3.940 3.896 3.986 . 0 0 "[ . 1]" 1
203 1 13 U H4' 1 14 G H8 3.000 2.400 4.000 3.635 3.151 4.056 0.056 6 0 "[ . 1]" 1
204 1 14 G H4' 1 14 G H5' 2.200 . 3.000 2.810 2.661 2.897 . 0 0 "[ . 1]" 1
205 1 14 G H5' 1 14 G H8 3.000 2.400 4.000 4.010 3.609 4.109 0.109 3 0 "[ . 1]" 1
206 1 14 G H2' 1 15 A H8 3.000 2.400 4.000 2.366 2.300 2.485 0.100 10 0 "[ . 1]" 1
207 1 14 G H2' 1 14 G H3' 2.200 . 3.000 2.305 2.287 2.314 . 0 0 "[ . 1]" 1
208 1 15 A H4' 1 15 A H5' 2.200 . 3.000 2.698 2.657 2.748 . 0 0 "[ . 1]" 1
209 1 15 A H1' 1 15 A H8 3.000 2.400 4.000 3.745 3.724 3.764 . 0 0 "[ . 1]" 1
210 1 15 A H3' 1 15 A H8 3.000 2.400 4.000 2.447 2.381 2.535 0.019 2 0 "[ . 1]" 1
211 1 15 A H4' 1 15 A H8 3.000 2.400 4.000 4.038 3.890 4.125 0.125 9 0 "[ . 1]" 1
212 1 15 A H5' 1 15 A H8 3.000 2.400 4.000 2.957 2.690 3.181 . 0 0 "[ . 1]" 1
213 1 15 A H1' 1 15 A H5' 4.400 3.000 6.000 4.442 4.399 4.458 . 0 0 "[ . 1]" 1
214 1 10 C H1' 1 15 A H2 4.400 3.000 6.000 5.825 5.630 6.034 0.034 4 0 "[ . 1]" 1
215 1 15 A H1' 1 15 A H3' 3.000 2.400 4.000 3.846 3.820 3.881 . 0 0 "[ . 1]" 1
216 1 15 A H1' 1 15 A H4' 3.000 2.400 4.000 3.514 3.421 3.642 . 0 0 "[ . 1]" 1
217 1 14 G H3' 1 15 A H8 3.000 2.400 4.000 3.906 3.811 4.060 0.060 9 0 "[ . 1]" 1
218 1 15 A H4' 1 16 A H8 4.400 3.000 6.000 5.945 5.829 6.021 0.021 2 0 "[ . 1]" 1
219 1 9 U H1' 1 16 A H2 3.000 2.400 4.000 4.155 4.086 4.209 0.209 2 0 "[ . 1]" 1
220 1 15 A H3' 1 16 A H8 3.000 2.400 4.000 3.732 3.380 3.857 . 0 0 "[ . 1]" 1
221 1 16 A H1' 1 16 A H2' 3.000 2.400 4.000 2.759 2.744 2.786 . 0 0 "[ . 1]" 1
222 1 16 A H5' 1 16 A H8 3.000 2.400 4.000 4.076 3.998 4.114 0.114 9 0 "[ . 1]" 1
223 1 16 A H2 1 16 A H2' 4.400 3.000 6.000 4.864 4.760 5.015 . 0 0 "[ . 1]" 1
224 1 15 A H2 1 16 A H1' 3.000 2.400 4.000 4.093 4.040 4.137 0.137 9 0 "[ . 1]" 1
225 1 16 A H5'' 1 16 A H8 3.000 2.400 4.000 3.652 3.447 4.011 0.011 6 0 "[ . 1]" 1
226 1 16 A H1' 1 17 A H5' 3.000 2.400 4.000 4.200 4.149 4.259 0.259 6 0 "[ . 1]" 1
227 1 16 A H2' 1 17 A H8 3.000 2.400 4.000 2.760 2.415 3.033 . 0 0 "[ . 1]" 1
228 1 16 A H2 1 17 A H1' 3.000 2.400 4.000 3.968 3.475 4.101 0.101 9 0 "[ . 1]" 1
229 1 15 A H1' 1 16 A H8 4.400 3.000 6.000 5.024 4.848 5.204 . 0 0 "[ . 1]" 1
230 1 17 A H2 1 18 A H1' 3.000 2.400 4.000 4.110 4.046 4.180 0.180 4 0 "[ . 1]" 1
231 1 17 A H1' 1 17 A H4' 3.000 2.400 4.000 3.297 3.193 3.359 . 0 0 "[ . 1]" 1
232 1 17 A H1' 1 17 A H3' 3.000 2.400 4.000 3.848 3.819 3.886 . 0 0 "[ . 1]" 1
233 1 17 A H5' 1 17 A H8 3.000 2.400 4.000 3.657 3.368 3.963 . 0 0 "[ . 1]" 1
234 1 17 A H1' 1 17 A H5' 4.400 3.000 6.000 4.566 4.512 4.607 . 0 0 "[ . 1]" 1
235 1 17 A H1' 1 17 A H5'' 4.400 3.000 6.000 5.146 5.094 5.180 . 0 0 "[ . 1]" 1
236 1 17 A H1' 1 17 A H8 4.400 3.000 6.000 3.660 3.631 3.694 . 0 0 "[ . 1]" 1
237 1 17 A H2' 1 17 A H8 3.000 2.400 4.000 3.959 3.865 4.009 0.009 7 0 "[ . 1]" 1
238 1 17 A H4' 1 17 A H8 3.000 2.400 4.000 4.193 4.154 4.261 0.261 5 0 "[ . 1]" 1
239 1 17 A H1' 1 18 A H8 4.400 3.000 6.000 5.095 4.867 5.274 . 0 0 "[ . 1]" 1
240 1 17 A H5'' 1 17 A H8 3.000 2.400 4.000 4.127 4.053 4.240 0.240 5 0 "[ . 1]" 1
241 1 17 A H2 1 17 A H2' 4.400 3.000 6.000 4.824 4.736 4.898 . 0 0 "[ . 1]" 1
242 1 17 A H3' 1 17 A H8 3.000 2.400 4.000 2.896 2.765 3.050 . 0 0 "[ . 1]" 1
243 1 17 A H1' 1 17 A H2' 2.200 . 3.000 2.835 2.817 2.877 . 0 0 "[ . 1]" 1
244 1 16 A H1' 1 17 A H8 4.400 3.000 6.000 5.412 5.097 5.657 . 0 0 "[ . 1]" 1
245 1 18 A H3' 1 18 A H8 3.000 2.400 4.000 3.222 2.977 3.543 . 0 0 "[ . 1]" 1
246 1 18 A H5'' 1 18 A H8 3.000 2.400 4.000 4.053 3.993 4.114 0.114 2 0 "[ . 1]" 1
247 1 18 A H1' 1 18 A H4' 3.000 2.400 4.000 3.369 3.339 3.416 . 0 0 "[ . 1]" 1
248 1 18 A H2' 1 18 A H8 3.000 2.400 4.000 4.045 3.992 4.119 0.119 3 0 "[ . 1]" 1
249 1 18 A H2' 1 19 C H5 3.000 2.400 4.000 3.930 3.621 4.069 0.069 8 0 "[ . 1]" 1
250 1 18 A H2 1 19 C H1' 3.000 2.400 4.000 4.184 4.143 4.267 0.267 6 0 "[ . 1]" 1
251 1 18 A H1' 1 18 A H5'' 4.400 3.000 6.000 5.139 5.110 5.168 . 0 0 "[ . 1]" 1
252 1 18 A H1' 1 18 A H3' 3.000 2.400 4.000 3.884 3.815 3.936 . 0 0 "[ . 1]" 1
253 1 18 A H1' 1 18 A H8 3.000 2.400 4.000 3.674 3.623 3.714 . 0 0 "[ . 1]" 1
254 1 18 A H1' 1 19 C H6 4.400 3.000 6.000 5.435 5.173 5.593 . 0 0 "[ . 1]" 1
255 1 18 A H3' 1 19 C H5 3.000 2.400 4.000 3.818 3.471 4.072 0.072 4 0 "[ . 1]" 1
256 1 18 A H2' 1 19 C H6 3.000 2.400 4.000 2.673 2.386 2.815 0.014 2 0 "[ . 1]" 1
257 1 18 A H1' 1 18 A H2' 2.200 . 3.000 2.814 2.788 2.837 . 0 0 "[ . 1]" 1
258 1 18 A H5' 1 18 A H8 3.000 2.400 4.000 4.066 3.983 4.163 0.163 4 0 "[ . 1]" 1
259 1 19 C H2' 1 20 G H8 3.000 2.400 4.000 3.673 3.064 4.025 0.025 1 0 "[ . 1]" 1
260 1 19 C H3' 1 19 C H6 3.000 2.400 4.000 2.481 2.374 2.585 0.026 9 0 "[ . 1]" 1
261 1 18 A H3' 1 19 C H6 3.000 2.400 4.000 3.186 2.521 3.594 . 0 0 "[ . 1]" 1
262 1 19 C H1' 1 20 G H8 4.400 3.000 6.000 5.879 5.664 6.073 0.073 9 0 "[ . 1]" 1
263 1 19 C H5 1 19 C H6 3.000 2.400 4.000 2.378 2.361 2.392 0.039 4 0 "[ . 1]" 1
264 1 19 C H1' 1 19 C H3' 3.000 2.400 4.000 3.794 3.656 3.842 . 0 0 "[ . 1]" 1
265 1 19 C H3' 1 19 C H5 3.000 2.400 4.000 4.186 4.037 4.301 0.301 1 0 "[ . 1]" 1
266 1 19 C H5' 1 19 C H6 3.000 2.400 4.000 3.725 3.248 4.039 0.039 6 0 "[ . 1]" 1
267 1 18 A H2' 1 19 C H1' 3.000 2.400 4.000 3.667 3.241 4.011 0.011 10 0 "[ . 1]" 1
268 1 19 C H1' 1 19 C H5' 4.400 3.000 6.200 4.812 4.564 4.998 . 0 0 "[ . 1]" 1
269 1 19 C H1' 1 19 C H6 3.000 2.400 4.000 3.660 3.606 3.705 . 0 0 "[ . 1]" 1
270 1 19 C H2' 1 19 C H6 3.000 2.400 4.000 3.832 3.670 4.008 0.008 6 0 "[ . 1]" 1
271 1 19 C H1' 1 19 C H2' 3.000 2.400 4.000 2.757 2.732 2.779 . 0 0 "[ . 1]" 1
272 1 19 C H4' 1 19 C H6 3.000 2.400 4.000 4.008 3.972 4.045 0.045 1 0 "[ . 1]" 1
273 1 19 C H1' 1 19 C H4' 3.000 2.400 4.000 3.429 3.383 3.455 . 0 0 "[ . 1]" 1
274 1 19 C H5'' 1 19 C H6 3.000 2.400 4.000 3.614 3.363 3.927 . 0 0 "[ . 1]" 1
275 1 20 G H2' 1 20 G H3' 2.200 . 3.000 2.362 2.313 2.411 . 0 0 "[ . 1]" 1
276 1 20 G H3' 1 20 G H5' 3.000 2.400 4.000 3.613 3.457 3.705 . 0 0 "[ . 1]" 1
277 1 20 G H1' 1 20 G H4' 3.000 2.400 4.000 3.537 3.397 3.709 . 0 0 "[ . 1]" 1
278 1 20 G H1' 1 20 G H3' 3.000 2.400 4.000 3.981 3.842 4.068 0.068 5 0 "[ . 1]" 1
279 1 19 C H4' 1 20 G H8 4.400 3.000 6.000 4.960 3.866 5.722 . 0 0 "[ . 1]" 1
280 1 20 G H1' 1 20 G H2' 2.200 . 3.000 2.905 2.735 3.046 0.046 6 0 "[ . 1]" 1
281 1 20 G H2' 1 20 G H8 3.000 2.400 4.000 3.457 2.525 4.064 0.064 4 0 "[ . 1]" 1
282 1 20 G H1' 1 20 G H8 3.000 2.400 4.000 3.755 3.610 3.867 . 0 0 "[ . 1]" 1
283 1 20 G H5' 1 20 G H8 3.000 2.400 4.000 3.374 2.367 4.014 0.033 6 0 "[ . 1]" 1
284 1 20 G H2' 1 21 G H8 3.000 2.400 4.000 3.605 2.411 4.087 0.087 3 0 "[ . 1]" 1
285 1 20 G H3' 1 20 G H8 3.000 2.400 4.000 3.674 2.766 4.246 0.246 6 0 "[ . 1]" 1
286 1 20 G H5'' 1 20 G H8 3.000 2.400 4.000 3.697 2.409 4.028 0.028 6 0 "[ . 1]" 1
287 1 19 C H3' 1 20 G H8 3.000 2.400 4.000 3.205 2.346 4.056 0.056 4 0 "[ . 1]" 1
288 1 20 G H3' 1 20 G H4' 2.200 . 3.000 2.847 2.642 2.983 . 0 0 "[ . 1]" 1
289 1 20 G H3' 1 21 G H8 3.000 2.400 4.000 3.566 3.054 3.922 . 0 0 "[ . 1]" 1
290 1 21 G H1' 1 21 G H4' 3.000 2.400 4.000 3.302 2.894 3.694 . 0 0 "[ . 1]" 1
291 1 21 G H1' 1 21 G H8 3.000 2.400 4.000 3.622 3.430 3.839 . 0 0 "[ . 1]" 1
292 1 21 G H2' 1 21 G H8 3.000 2.400 4.000 3.623 2.817 4.064 0.064 3 0 "[ . 1]" 1
293 1 21 G H5' 1 21 G H8 4.400 3.000 6.000 4.654 3.936 5.259 . 0 0 "[ . 1]" 1
294 1 21 G H5'' 1 21 G H8 4.400 3.000 6.000 3.521 2.950 4.171 0.050 8 0 "[ . 1]" 1
295 1 21 G H3' 1 21 G H8 4.400 3.000 6.000 4.930 4.231 5.553 . 0 0 "[ . 1]" 1
296 1 21 G H1' 1 21 G H3' 3.000 2.400 4.000 3.885 3.753 3.981 . 0 0 "[ . 1]" 1
297 1 21 G H2' 1 22 U H5 3.000 2.400 4.000 3.149 2.393 4.112 0.112 10 0 "[ . 1]" 1
298 1 21 G H1' 1 21 G H2' 3.000 2.400 4.000 3.056 2.968 3.091 . 0 0 "[ . 1]" 1
299 1 21 G H4' 1 21 G H8 4.400 3.000 6.000 4.460 4.214 4.643 . 0 0 "[ . 1]" 1
300 1 22 U H2' 1 23 U H6 3.000 2.400 4.000 3.379 2.642 3.970 . 0 0 "[ . 1]" 1
301 1 22 U H3' 1 22 U H6 2.200 . 3.000 1.946 1.754 2.303 0.046 4 0 "[ . 1]" 1
302 1 22 U H2' 1 22 U H6 3.000 2.400 4.000 2.913 2.358 3.659 0.042 4 0 "[ . 1]" 1
303 1 22 U H2' 1 22 U H5 4.400 3.000 6.000 4.663 4.358 5.097 . 0 0 "[ . 1]" 1
304 1 21 G H2' 1 22 U H6 3.000 2.400 4.000 3.558 2.452 4.108 0.108 8 0 "[ . 1]" 1
305 1 22 U H1' 1 22 U H4' 3.000 2.400 4.000 3.510 3.331 3.749 . 0 0 "[ . 1]" 1
306 1 22 U H5 1 22 U H6 2.200 . 3.000 2.405 2.391 2.449 . 0 0 "[ . 1]" 1
307 1 21 G H5'' 1 22 U H6 3.000 2.400 4.000 3.916 3.178 4.999 0.999 3 1 "[ + . 1]" 1
308 1 22 U H1' 1 22 U H2' 3.000 2.400 4.000 2.783 2.729 2.818 . 0 0 "[ . 1]" 1
309 1 22 U H1' 1 22 U H6 3.000 2.400 4.000 3.701 3.665 3.726 . 0 0 "[ . 1]" 1
310 1 22 U H3' 1 22 U H5 3.000 2.400 4.000 4.074 4.018 4.156 0.156 10 0 "[ . 1]" 1
311 1 23 U H3' 1 23 U H4' 3.000 2.400 4.000 2.789 2.661 2.920 . 0 0 "[ . 1]" 1
312 1 23 U H1' 1 23 U H3' 3.000 2.400 4.000 3.912 3.762 3.995 . 0 0 "[ . 1]" 1
313 1 23 U H5 1 23 U H6 3.000 2.400 4.000 2.405 2.396 2.420 0.004 6 0 "[ . 1]" 1
314 1 23 U H2' 1 23 U H6 3.000 2.400 4.000 2.988 2.210 3.989 0.190 6 0 "[ . 1]" 1
315 1 23 U H1' 1 23 U H6 3.000 2.400 4.000 3.527 3.267 3.738 . 0 0 "[ . 1]" 1
316 1 23 U H1' 1 23 U H2' 3.000 2.400 4.000 3.055 3.017 3.095 . 0 0 "[ . 1]" 1
317 1 23 U H1' 1 23 U H4' 3.000 2.400 4.000 3.176 2.877 3.615 . 0 0 "[ . 1]" 1
318 1 23 U H3' 1 23 U H6 4.400 3.000 6.000 4.365 3.514 4.940 . 0 0 "[ . 1]" 1
319 1 23 U H2' 1 23 U H4' 4.400 3.000 6.000 3.912 3.806 3.980 . 0 0 "[ . 1]" 1
320 1 23 U H2' 1 23 U H5'' 4.400 3.000 6.000 3.682 2.974 4.051 0.026 4 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 6
_Distance_constraint_stats_list.Viol_count 5
_Distance_constraint_stats_list.Viol_total 2.002
_Distance_constraint_stats_list.Viol_max 0.090
_Distance_constraint_stats_list.Viol_rms 0.0142
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0033
_Distance_constraint_stats_list.Viol_average_violations_only 0.0400
_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 3 A 0.199 0.090 9 0 "[ . 1]"
1 4 U 0.199 0.090 9 0 "[ . 1]"
1 13 U 0.000 0.000 . 0 "[ . 1]"
1 14 G 0.000 0.000 . 0 "[ . 1]"
1 19 C 0.001 0.001 6 0 "[ . 1]"
1 20 G 0.001 0.001 6 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 3 A H4' 1 3 A H8 4.400 3.000 6.000 4.492 4.217 4.704 . 0 0 "[ . 1]" 2
2 1 3 A H5'' 1 3 A H8 3.000 2.400 4.000 3.058 2.310 3.995 0.090 9 0 "[ . 1]" 2
3 1 13 U H1' 1 14 G Q5' 3.000 2.400 4.000 3.641 3.368 3.971 . 0 0 "[ . 1]" 2
4 1 14 G H2' 1 14 G Q5' 3.000 2.400 4.000 3.786 3.660 3.941 . 0 0 "[ . 1]" 2
5 1 14 G H4' 1 14 G Q5' 2.200 . 3.000 2.520 2.479 2.529 . 0 0 "[ . 1]" 2
6 1 19 C H2' 1 19 C H6 3.000 2.400 4.000 3.826 3.662 4.001 0.001 6 0 "[ . 1]" 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 28
_Distance_constraint_stats_list.Viol_count 118
_Distance_constraint_stats_list.Viol_total 58.569
_Distance_constraint_stats_list.Viol_max 0.135
_Distance_constraint_stats_list.Viol_rms 0.0333
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0209
_Distance_constraint_stats_list.Viol_average_violations_only 0.0496
_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 5 G 0.032 0.021 8 0 "[ . 1]"
1 6 U 0.244 0.061 5 0 "[ . 1]"
1 7 U 1.278 0.135 5 0 "[ . 1]"
1 8 U 0.920 0.068 2 0 "[ . 1]"
1 9 U 2.681 0.133 9 0 "[ . 1]"
1 10 C 0.702 0.060 10 0 "[ . 1]"
1 14 G 0.702 0.060 10 0 "[ . 1]"
1 15 A 2.681 0.133 9 0 "[ . 1]"
1 16 A 0.920 0.068 2 0 "[ . 1]"
1 17 A 1.278 0.135 5 0 "[ . 1]"
1 18 A 0.244 0.061 5 0 "[ . 1]"
1 19 C 0.032 0.021 8 0 "[ . 1]"
stop_
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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 1 6 U N3 1 18 A N1 2.950 2.750 3.150 2.940 2.872 3.082 . 0 0 "[ . 1]" 3
2 1 6 U H3 1 18 A N1 1.930 . 2.130 1.964 1.895 2.112 . 0 0 "[ . 1]" 3
3 1 6 U O4 1 18 A H61 1.800 . 2.000 2.000 1.841 2.061 0.061 5 0 "[ . 1]" 3
4 1 6 U O4 1 18 A N6 2.830 2.630 3.030 2.974 2.833 3.066 0.036 2 0 "[ . 1]" 3
5 1 7 U N3 1 17 A N1 2.950 2.750 3.150 2.754 2.693 2.812 0.057 5 0 "[ . 1]" 3
6 1 7 U H3 1 17 A N1 1.930 . 2.130 1.793 1.742 1.855 . 0 0 "[ . 1]" 3
7 1 7 U O4 1 17 A H61 1.800 . 2.000 2.079 2.055 2.135 0.135 5 0 "[ . 1]" 3
8 1 7 U O4 1 17 A N6 2.830 2.630 3.030 3.070 3.025 3.126 0.096 5 0 "[ . 1]" 3
9 1 8 U N3 1 16 A N1 2.950 2.750 3.150 2.813 2.737 2.860 0.013 9 0 "[ . 1]" 3
10 1 8 U H3 1 16 A N1 1.930 . 2.130 1.816 1.740 1.862 . 0 0 "[ . 1]" 3
11 1 8 U O4 1 16 A H61 1.800 . 2.000 2.056 2.040 2.068 0.068 2 0 "[ . 1]" 3
12 1 8 U O4 1 16 A N6 2.830 2.630 3.030 3.064 3.043 3.075 0.045 2 0 "[ . 1]" 3
13 1 9 U N3 1 15 A N1 2.950 2.750 3.150 2.712 2.688 2.745 0.062 2 0 "[ . 1]" 3
14 1 9 U H3 1 15 A N1 1.930 . 2.130 1.712 1.691 1.744 0.039 4 0 "[ . 1]" 3
15 1 9 U O4 1 15 A H61 1.800 . 2.000 2.120 2.095 2.133 0.133 9 0 "[ . 1]" 3
16 1 9 U O4 1 15 A N6 2.830 2.630 3.030 3.120 3.103 3.138 0.108 2 0 "[ . 1]" 3
17 1 10 C N3 1 14 G N1 2.950 2.750 3.150 2.891 2.849 2.922 . 0 0 "[ . 1]" 3
18 1 10 C N3 1 14 G H1 1.890 . 2.090 1.892 1.838 1.953 . 0 0 "[ . 1]" 3
19 1 10 C O2 1 14 G H22 2.080 . 2.280 1.869 1.825 1.938 0.055 10 0 "[ . 1]" 3
20 1 10 C O2 1 14 G N2 3.080 2.880 3.280 2.853 2.820 2.879 0.060 10 0 "[ . 1]" 3
21 1 10 C H41 1 14 G O6 1.710 . 1.910 1.928 1.886 1.961 0.051 1 0 "[ . 1]" 3
22 1 10 C N4 1 14 G O6 2.720 2.520 2.920 2.828 2.781 2.860 . 0 0 "[ . 1]" 3
23 1 5 G N1 1 19 C N3 2.950 2.750 3.150 2.950 2.866 3.033 . 0 0 "[ . 1]" 3
24 1 5 G H1 1 19 C N3 1.890 . 2.090 1.946 1.859 2.023 . 0 0 "[ . 1]" 3
25 1 5 G H22 1 19 C O2 2.080 . 2.280 2.026 1.896 2.248 . 0 0 "[ . 1]" 3
26 1 5 G N2 1 19 C O2 3.080 2.880 3.280 3.020 2.859 3.241 0.021 8 0 "[ . 1]" 3
27 1 5 G O6 1 19 C H41 1.710 . 1.910 1.797 1.698 1.921 0.011 8 0 "[ . 1]" 3
28 1 5 G O6 1 19 C N4 2.720 2.520 2.920 2.780 2.694 2.907 . 0 0 "[ . 1]" 3
stop_
save_
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