NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
589960 |
5a17   |
26568 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5a17
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 418
_Distance_constraint_stats_list.Viol_count 839
_Distance_constraint_stats_list.Viol_total 1116.747
_Distance_constraint_stats_list.Viol_max 1.235
_Distance_constraint_stats_list.Viol_rms 0.0972
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0267
_Distance_constraint_stats_list.Viol_average_violations_only 0.1331
_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 1.730 0.193 4 0 "[ . 1]"
1 2 A 2.074 0.194 7 0 "[ . 1]"
1 3 C 9.386 0.761 8 4 "[ *.- + *]"
1 4 G 7.882 0.256 7 0 "[ . 1]"
1 5 A 12.650 0.395 6 0 "[ . 1]"
1 6 U 1.571 0.137 3 0 "[ . 1]"
1 7 A 1.470 0.123 7 0 "[ . 1]"
1 8 U 2.527 0.123 7 0 "[ . 1]"
1 9 C 1.184 0.164 9 0 "[ . 1]"
1 10 G 0.092 0.035 1 0 "[ . 1]"
1 11 A 0.860 0.105 5 0 "[ . 1]"
1 12 G 9.140 1.235 7 4 "[* - .*+ 1]"
1 13 C 5.814 0.367 7 0 "[ . 1]"
1 14 A 11.718 1.235 7 7 "[**- .*+* *]"
1 15 U 3.540 0.322 6 0 "[ . 1]"
1 16 C 9.696 0.653 4 1 "[ +. 1]"
1 17 A 11.836 1.152 2 8 "[*+*** *-*]"
1 18 A 1.780 0.279 8 0 "[ . 1]"
1 19 G 1.103 0.139 3 0 "[ . 1]"
1 20 A 1.347 0.139 3 0 "[ . 1]"
1 21 G 0.464 0.082 3 0 "[ . 1]"
1 22 U 1.225 0.121 2 0 "[ . 1]"
1 23 G 1.227 0.140 6 0 "[ . 1]"
1 24 A 4.909 0.370 2 0 "[ . 1]"
1 25 A 2.713 0.341 1 0 "[ . 1]"
1 26 U 3.724 0.388 10 0 "[ . 1]"
1 27 A 1.261 0.107 10 0 "[ . 1]"
1 28 U 1.219 0.117 10 0 "[ . 1]"
1 29 C 3.039 0.265 4 0 "[ . 1]"
1 30 G 3.601 0.408 9 0 "[ . 1]"
1 31 U 9.935 0.408 9 0 "[ . 1]"
1 32 C 10.616 1.206 4 10 [***+**-***]
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 15 U H3' 1 16 C H6 3.200 2.400 4.000 3.532 2.395 4.119 0.119 7 0 "[ . 1]" 1
2 1 16 C H3' 1 16 C H6 3.200 2.400 4.000 2.388 2.252 2.740 0.148 1 0 "[ . 1]" 1
3 1 15 U H2' 1 16 C H6 3.200 2.400 4.000 4.009 3.733 4.122 0.122 6 0 "[ . 1]" 1
4 1 16 C H1' 1 16 C H6 3.200 2.400 4.000 3.657 3.537 3.731 . 0 0 "[ . 1]" 1
5 1 11 A H1' 1 11 A H8 4.600 3.200 6.000 3.689 3.620 3.778 . 0 0 "[ . 1]" 1
6 1 11 A H1' 1 11 A H2' 3.200 2.400 4.000 2.794 2.765 2.816 . 0 0 "[ . 1]" 1
7 1 16 C H1' 1 16 C H3' 4.600 3.200 6.000 3.962 3.857 4.006 . 0 0 "[ . 1]" 1
8 1 11 A H1' 1 11 A H4' . 3.200 4.000 3.515 3.441 3.592 . 0 0 "[ . 1]" 1
9 1 16 C H1' 1 16 C H2' 3.200 2.400 4.000 2.811 2.763 2.863 . 0 0 "[ . 1]" 1
10 1 13 C H1' 1 13 C H2' 3.200 2.400 4.000 2.812 2.759 2.869 . 0 0 "[ . 1]" 1
11 1 13 C H1' 1 13 C H4' 3.200 2.400 4.000 3.517 3.292 3.720 . 0 0 "[ . 1]" 1
12 1 11 A H1' 1 11 A H3' 4.600 3.200 6.000 3.936 3.885 3.983 . 0 0 "[ . 1]" 1
13 1 32 C H1' 1 32 C H6 . 3.200 4.000 3.550 3.499 3.600 . 0 0 "[ . 1]" 1
14 1 32 C H5 1 32 C H6 2.200 . 3.000 2.450 2.446 2.457 . 0 0 "[ . 1]" 1
15 1 32 C H3' 1 32 C H6 3.200 2.400 4.000 3.322 3.115 3.455 . 0 0 "[ . 1]" 1
16 1 32 C H2' 1 32 C H6 3.200 2.400 4.000 3.730 3.564 3.941 . 0 0 "[ . 1]" 1
17 1 31 U H3' 1 32 C H6 3.200 3.200 4.000 3.250 3.137 3.482 0.063 5 0 "[ . 1]" 1
18 1 31 U H2' 1 32 C H6 2.200 . 3.000 2.974 2.871 3.041 0.041 8 0 "[ . 1]" 1
19 1 15 U H3' 1 15 U H6 3.200 2.400 4.000 3.480 2.679 3.898 . 0 0 "[ . 1]" 1
20 1 15 U H2' 1 15 U H6 3.200 2.400 4.000 3.918 3.072 4.160 0.160 5 0 "[ . 1]" 1
21 1 14 A H3' 1 15 U H6 3.200 2.400 4.000 3.356 2.376 4.067 0.067 6 0 "[ . 1]" 1
22 1 15 U H5 1 15 U H6 2.200 . 3.000 2.408 2.395 2.421 . 0 0 "[ . 1]" 1
23 1 32 C H1' 1 32 C H3' 3.200 2.400 4.000 3.996 3.962 4.016 0.016 5 0 "[ . 1]" 1
24 1 32 C H1' 1 32 C H2' . 2.400 3.000 2.842 2.804 2.869 . 0 0 "[ . 1]" 1
25 1 32 C H1' 1 32 C H4' 3.200 2.400 4.000 3.458 3.364 3.651 . 0 0 "[ . 1]" 1
26 1 31 U H2' 1 32 C H1' 4.600 3.200 6.000 4.626 4.242 5.068 . 0 0 "[ . 1]" 1
27 1 2 A H2 1 32 C H1' 4.600 3.200 6.000 4.994 4.700 5.388 . 0 0 "[ . 1]" 1
28 1 15 U H1' 1 15 U H6 4.600 3.200 6.000 3.441 3.328 3.735 . 0 0 "[ . 1]" 1
29 1 15 U H1' 1 15 U H4' 3.200 2.400 4.000 3.435 3.053 3.675 . 0 0 "[ . 1]" 1
30 1 15 U H1' 1 15 U H2' 3.200 2.400 4.000 2.841 2.767 2.917 . 0 0 "[ . 1]" 1
31 1 22 U H5 1 22 U H6 . 2.400 3.000 2.416 2.410 2.421 . 0 0 "[ . 1]" 1
32 1 22 U H2' 1 22 U H6 3.200 2.400 4.000 4.080 4.034 4.121 0.121 2 0 "[ . 1]" 1
33 1 31 U H5 1 31 U H6 2.200 . 3.000 2.389 2.383 2.398 . 0 0 "[ . 1]" 1
34 1 31 U H4' 1 31 U H6 3.200 2.400 4.000 4.028 3.982 4.050 0.050 9 0 "[ . 1]" 1
35 1 31 U H2' 1 31 U H6 . 3.200 4.000 4.137 4.101 4.165 0.165 7 0 "[ . 1]" 1
36 1 31 U H1' 1 31 U H6 3.200 2.400 4.000 3.276 3.224 3.364 . 0 0 "[ . 1]" 1
37 1 30 G H1' 1 31 U H6 3.200 3.200 4.000 4.354 4.286 4.408 0.408 9 0 "[ . 1]" 1
38 1 9 C H5 1 9 C H6 . 2.400 3.000 2.463 2.449 2.471 . 0 0 "[ . 1]" 1
39 1 9 C H1' 1 9 C H6 4.600 3.200 6.000 3.555 3.522 3.589 . 0 0 "[ . 1]" 1
40 1 9 C H3' 1 9 C H6 . 2.400 3.000 2.817 2.572 2.940 . 0 0 "[ . 1]" 1
41 1 28 U H1' 1 29 C H6 4.600 3.200 6.000 5.153 4.871 5.385 . 0 0 "[ . 1]" 1
42 1 29 C H3' 1 29 C H6 2.200 . 3.000 2.526 2.154 2.978 . 0 0 "[ . 1]" 1
43 1 28 U H2' 1 29 C H6 2.200 . 3.000 2.375 2.093 2.595 . 0 0 "[ . 1]" 1
44 1 29 C H2' 1 29 C H6 3.200 2.400 4.000 3.754 3.718 3.852 . 0 0 "[ . 1]" 1
45 1 17 A H1' 1 17 A H8 3.200 2.400 4.000 3.508 3.289 3.584 . 0 0 "[ . 1]" 1
46 1 17 A H2' 1 17 A H8 3.200 2.400 4.000 4.038 3.973 4.191 0.191 7 0 "[ . 1]" 1
47 1 16 C H3' 1 17 A H8 3.200 3.200 4.000 3.316 2.985 4.012 0.215 4 0 "[ . 1]" 1
48 1 18 A H1' 1 18 A H8 3.200 2.400 4.000 3.682 3.583 3.863 . 0 0 "[ . 1]" 1
49 1 17 A H2' 1 18 A H8 . 2.400 3.000 2.915 2.447 3.159 0.159 7 0 "[ . 1]" 1
50 1 18 A H2' 1 18 A H8 3.200 2.400 4.000 3.764 2.537 4.120 0.120 4 0 "[ . 1]" 1
51 1 23 G H2' 1 24 A H8 3.200 2.400 4.000 3.231 2.380 4.028 0.028 1 0 "[ . 1]" 1
52 1 23 G H3' 1 24 A H8 4.600 3.200 6.000 4.242 3.285 5.171 . 0 0 "[ . 1]" 1
53 1 20 A H1' 1 20 A H8 4.600 3.200 6.000 3.725 3.701 3.753 . 0 0 "[ . 1]" 1
54 1 14 A H1' 1 14 A H8 4.600 3.200 6.000 3.508 3.400 3.573 . 0 0 "[ . 1]" 1
55 1 14 A H3' 1 14 A H8 3.200 2.400 4.000 3.874 3.597 4.024 0.024 3 0 "[ . 1]" 1
56 1 14 A H5' 1 14 A H8 3.200 2.400 4.000 4.464 4.009 4.850 0.850 3 5 "[ -+ . ** *]" 1
57 1 12 G H5' 1 14 A H8 4.600 3.200 6.000 6.409 6.043 7.235 1.235 7 4 "[* - .*+ 1]" 1
58 1 2 A H1' 1 2 A H8 4.600 3.200 6.000 3.680 3.653 3.705 . 0 0 "[ . 1]" 1
59 1 1 G H1' 1 2 A H8 4.600 3.200 6.000 5.175 5.075 5.317 . 0 0 "[ . 1]" 1
60 1 2 A H8 1 3 C H5 4.600 3.200 6.000 4.016 3.831 4.177 . 0 0 "[ . 1]" 1
61 1 1 G H2' 1 2 A H8 . 2.400 3.000 2.437 2.318 2.604 0.082 1 0 "[ . 1]" 1
62 1 1 G H3' 1 2 A H8 3.200 2.400 4.000 2.949 2.417 3.142 . 0 0 "[ . 1]" 1
63 1 2 A H3' 1 2 A H8 2.200 . 3.000 2.938 2.818 3.046 0.046 7 0 "[ . 1]" 1
64 1 27 A H1' 1 27 A H8 4.600 3.200 6.000 3.656 3.628 3.681 . 0 0 "[ . 1]" 1
65 1 26 U H1' 1 27 A H8 4.600 3.200 6.000 4.896 4.763 5.102 . 0 0 "[ . 1]" 1
66 1 27 A H3' 1 27 A H8 3.200 2.400 4.000 3.184 2.990 3.372 . 0 0 "[ . 1]" 1
67 1 27 A H2' 1 27 A H8 3.200 2.400 4.000 4.074 4.059 4.107 0.107 10 0 "[ . 1]" 1
68 1 7 A H1' 1 7 A H8 4.600 3.200 6.000 3.562 3.517 3.617 . 0 0 "[ . 1]" 1
69 1 6 U H1' 1 7 A H8 4.600 3.200 6.000 5.143 4.895 5.299 . 0 0 "[ . 1]" 1
70 1 7 A H3' 1 7 A H8 3.200 2.400 4.000 3.581 3.493 3.674 . 0 0 "[ . 1]" 1
71 1 1 G H1' 1 1 G H8 3.200 2.400 4.000 3.624 3.563 3.660 . 0 0 "[ . 1]" 1
72 1 1 G H2' 1 1 G H8 3.200 2.400 4.000 4.108 4.033 4.193 0.193 4 0 "[ . 1]" 1
73 1 1 G H3' 1 1 G H8 3.200 2.400 4.000 3.278 3.077 3.705 . 0 0 "[ . 1]" 1
74 1 1 G H4' 1 1 G H8 4.600 3.200 6.000 4.166 3.968 4.274 . 0 0 "[ . 1]" 1
75 1 1 G H5' 1 1 G H8 . 3.200 4.000 3.574 3.155 3.937 0.045 7 0 "[ . 1]" 1
76 1 24 A H1' 1 25 A H8 4.600 3.200 6.000 4.389 3.116 5.232 0.084 9 0 "[ . 1]" 1
77 1 25 A H2' 1 25 A H8 3.200 2.400 4.000 4.051 3.910 4.140 0.140 1 0 "[ . 1]" 1
78 1 11 A H3' 1 11 A H8 3.200 2.400 4.000 3.331 2.913 3.605 . 0 0 "[ . 1]" 1
79 1 25 A H3' 1 25 A H8 3.200 2.400 4.000 3.574 2.933 4.027 0.027 3 0 "[ . 1]" 1
80 1 24 A H3' 1 25 A H8 3.200 2.400 4.000 2.984 2.380 3.555 0.020 2 0 "[ . 1]" 1
81 1 25 A H5' 1 25 A H8 3.200 3.200 4.000 3.859 3.651 4.084 0.084 3 0 "[ . 1]" 1
82 1 5 A H1' 1 5 A H8 4.600 3.200 6.000 3.546 3.531 3.564 . 0 0 "[ . 1]" 1
83 1 4 G H1' 1 5 A H8 4.600 3.200 6.000 4.852 4.729 5.128 . 0 0 "[ . 1]" 1
84 1 5 A H8 1 6 U H5 4.600 3.200 6.000 4.555 4.301 4.791 . 0 0 "[ . 1]" 1
85 1 4 G H2' 1 5 A H8 2.200 . 3.000 2.242 2.065 2.630 . 0 0 "[ . 1]" 1
86 1 5 A H3' 1 5 A H8 . 2.400 3.000 3.203 3.130 3.276 0.276 9 0 "[ . 1]" 1
87 1 5 A H4' 1 5 A H8 3.200 2.400 4.000 4.141 4.125 4.163 0.163 4 0 "[ . 1]" 1
88 1 4 G H4' 1 5 A H8 3.200 2.400 4.000 4.246 4.205 4.256 0.256 7 0 "[ . 1]" 1
89 1 19 G H1' 1 19 G H8 4.600 3.200 6.000 3.667 3.120 3.810 0.080 7 0 "[ . 1]" 1
90 1 18 A H3' 1 19 G H8 4.600 3.200 6.000 5.011 4.360 5.825 . 0 0 "[ . 1]" 1
91 1 19 G H3' 1 19 G H8 4.600 3.200 6.000 3.613 3.218 4.471 . 0 0 "[ . 1]" 1
92 1 23 G H1' 1 23 G H8 4.600 3.200 6.000 3.730 3.685 3.768 . 0 0 "[ . 1]" 1
93 1 23 G H3' 1 23 G H8 3.200 3.200 4.000 3.601 3.164 4.068 0.068 1 0 "[ . 1]" 1
94 1 23 G H2' 1 23 G H8 3.200 2.400 4.000 3.838 3.542 4.050 0.050 8 0 "[ . 1]" 1
95 1 22 U H3' 1 23 G H8 4.600 3.200 6.000 3.360 3.133 4.022 0.067 5 0 "[ . 1]" 1
96 1 22 U H2' 1 23 G H8 3.200 3.200 4.000 3.336 3.179 3.508 0.021 1 0 "[ . 1]" 1
97 1 20 A H1' 1 21 G H8 4.600 3.200 6.000 5.976 5.795 6.032 0.032 8 0 "[ . 1]" 1
98 1 21 G H1' 1 21 G H8 4.600 3.200 6.000 3.648 3.569 3.714 . 0 0 "[ . 1]" 1
99 1 20 A H3' 1 21 G H8 4.600 3.200 6.000 3.527 3.200 4.016 . 0 0 "[ . 1]" 1
100 1 21 G H4' 1 21 G H8 4.600 3.200 6.000 4.497 4.431 4.576 . 0 0 "[ . 1]" 1
101 1 9 C H1' 1 10 G H8 4.600 3.200 6.000 5.855 5.511 6.019 0.019 7 0 "[ . 1]" 1
102 1 12 G H1' 1 12 G H8 4.600 3.200 6.000 3.678 3.640 3.700 . 0 0 "[ . 1]" 1
103 1 11 A H3' 1 12 G H8 3.200 3.200 4.000 3.583 3.272 3.865 . 0 0 "[ . 1]" 1
104 1 9 C H3' 1 10 G H8 4.600 3.200 6.000 3.732 3.471 4.097 . 0 0 "[ . 1]" 1
105 1 9 C H2' 1 10 G H8 3.200 2.400 4.000 3.238 2.704 3.517 . 0 0 "[ . 1]" 1
106 1 4 G H1' 1 4 G H8 3.200 3.200 4.000 3.542 3.515 3.579 . 0 0 "[ . 1]" 1
107 1 3 C H1' 1 4 G H8 4.600 3.200 6.000 5.031 4.906 5.142 . 0 0 "[ . 1]" 1
108 1 4 G H2' 1 4 G H8 3.200 2.400 4.000 4.171 4.140 4.221 0.221 1 0 "[ . 1]" 1
109 1 4 G H3' 1 4 G H8 . 2.400 3.000 3.159 3.105 3.220 0.220 1 0 "[ . 1]" 1
110 1 3 C H2' 1 4 G H8 2.200 . 3.000 2.160 2.037 2.330 . 0 0 "[ . 1]" 1
111 1 30 G H8 1 31 U H5 4.600 3.200 6.000 3.898 3.710 4.055 . 0 0 "[ . 1]" 1
112 1 30 G H1' 1 30 G H8 3.200 3.200 4.000 3.560 3.535 3.579 . 0 0 "[ . 1]" 1
113 1 2 A H1' 1 3 C H6 4.600 3.200 6.000 5.301 5.097 5.389 . 0 0 "[ . 1]" 1
114 1 3 C H1' 1 3 C H6 3.200 2.400 4.000 3.580 3.555 3.606 . 0 0 "[ . 1]" 1
115 1 3 C H5 1 3 C H6 2.200 . 3.000 2.452 2.445 2.462 . 0 0 "[ . 1]" 1
116 1 2 A H3' 1 3 C H6 3.200 2.400 4.000 3.017 2.894 3.155 . 0 0 "[ . 1]" 1
117 1 3 C H2' 1 3 C H6 2.200 . 3.000 3.148 3.077 3.253 0.253 8 0 "[ . 1]" 1
118 1 28 U H5 1 28 U H6 2.200 . 3.000 2.387 2.378 2.393 . 0 0 "[ . 1]" 1
119 1 28 U H1' 1 28 U H6 3.200 3.200 4.000 3.548 3.476 3.610 . 0 0 "[ . 1]" 1
120 1 27 A H1' 1 28 U H6 4.600 3.200 6.000 5.340 5.159 5.517 . 0 0 "[ . 1]" 1
121 1 27 A H3' 1 28 U H6 3.200 2.400 4.000 3.319 2.810 3.630 . 0 0 "[ . 1]" 1
122 1 27 A H2' 1 28 U H6 2.200 . 3.000 2.615 2.330 2.839 . 0 0 "[ . 1]" 1
123 1 28 U H3' 1 28 U H6 . 2.400 3.000 2.811 2.530 3.058 0.058 7 0 "[ . 1]" 1
124 1 28 U H2' 1 28 U H6 3.200 2.400 4.000 3.737 3.570 3.901 . 0 0 "[ . 1]" 1
125 1 8 U H5 1 8 U H6 . 2.400 3.000 2.409 2.399 2.417 0.001 9 0 "[ . 1]" 1
126 1 26 U H5 1 26 U H6 2.200 . 3.000 2.439 2.435 2.445 . 0 0 "[ . 1]" 1
127 1 26 U H1' 1 26 U H6 3.200 2.400 4.000 3.550 3.518 3.576 . 0 0 "[ . 1]" 1
128 1 7 A H1' 1 8 U H6 4.600 3.200 6.000 5.637 5.313 5.781 . 0 0 "[ . 1]" 1
129 1 26 U H3' 1 26 U H6 . 2.400 3.000 2.680 2.444 3.012 0.012 7 0 "[ . 1]" 1
130 1 26 U H2' 1 26 U H6 2.200 . 3.000 3.341 3.271 3.388 0.388 10 0 "[ . 1]" 1
131 1 5 A H3' 1 6 U H6 3.200 2.400 4.000 2.804 2.372 3.090 0.028 6 0 "[ . 1]" 1
132 1 7 A H3' 1 8 U H6 . 3.200 4.000 3.225 3.087 3.439 0.113 9 0 "[ . 1]" 1
133 1 7 A H2' 1 8 U H6 . 2.400 3.000 2.883 2.541 3.063 0.063 10 0 "[ . 1]" 1
134 1 8 U H3' 1 8 U H6 . 2.400 3.000 3.030 2.800 3.101 0.101 10 0 "[ . 1]" 1
135 1 8 U H2' 1 8 U H6 3.200 2.400 4.000 3.705 3.540 3.922 . 0 0 "[ . 1]" 1
136 1 5 A H1' 1 6 U H6 4.600 3.200 6.000 5.533 5.395 5.602 . 0 0 "[ . 1]" 1
137 1 6 U H1' 1 6 U H6 3.200 2.400 4.000 3.440 3.406 3.465 . 0 0 "[ . 1]" 1
138 1 6 U H5 1 6 U H6 2.200 . 3.000 2.410 2.407 2.417 . 0 0 "[ . 1]" 1
139 1 6 U H2' 1 6 U H6 3.200 2.400 4.000 3.971 3.881 4.029 0.029 8 0 "[ . 1]" 1
140 1 31 U H1' 1 32 C H6 4.600 3.200 6.000 5.752 5.635 5.844 . 0 0 "[ . 1]" 1
141 1 23 G H1' 1 23 G H2' 3.200 2.400 4.000 2.853 2.772 2.964 . 0 0 "[ . 1]" 1
142 1 23 G H1' 1 23 G H4' 3.200 2.400 4.000 3.521 2.971 3.850 . 0 0 "[ . 1]" 1
143 1 18 A H1' 1 18 A H3' 3.200 2.400 4.000 3.952 3.904 4.009 0.009 7 0 "[ . 1]" 1
144 1 18 A H1' 1 18 A H2' 3.200 2.400 4.000 2.856 2.764 3.044 . 0 0 "[ . 1]" 1
145 1 18 A H1' 1 18 A H4' . 3.200 4.000 3.547 3.272 3.774 . 0 0 "[ . 1]" 1
146 1 1 G H1' 1 1 G H3' 3.200 2.400 4.000 3.907 3.860 4.010 0.010 4 0 "[ . 1]" 1
147 1 1 G H1' 1 1 G H2' . 2.400 3.000 2.779 2.766 2.811 . 0 0 "[ . 1]" 1
148 1 1 G H1' 1 1 G H4' 3.200 2.400 4.000 3.513 3.414 3.741 . 0 0 "[ . 1]" 1
149 1 17 A H1' 1 17 A H2' . 2.400 3.000 2.976 2.874 3.025 0.025 7 0 "[ . 1]" 1
150 1 16 C H3' 1 17 A H1' 4.600 3.200 6.000 6.059 5.296 6.231 0.231 5 0 "[ . 1]" 1
151 1 17 A H1' 1 17 A H4' 3.200 2.400 4.000 3.088 2.557 3.676 . 0 0 "[ . 1]" 1
152 1 19 G H1' 1 19 G H2' 3.200 2.400 4.000 2.858 2.746 2.913 . 0 0 "[ . 1]" 1
153 1 19 G H1' 1 19 G H4' 3.200 2.400 4.000 3.279 3.059 3.536 . 0 0 "[ . 1]" 1
154 1 19 G H1' 1 19 G H3' 3.200 2.400 4.000 3.954 3.866 4.008 0.008 5 0 "[ . 1]" 1
155 1 20 A H1' 1 20 A H2' 3.200 2.400 4.000 2.773 2.759 2.796 . 0 0 "[ . 1]" 1
156 1 20 A H1' 1 20 A H4' 3.200 2.400 4.000 3.750 3.633 3.834 . 0 0 "[ . 1]" 1
157 1 14 A H1' 1 14 A H3' 3.200 3.200 4.000 3.945 3.893 4.003 0.003 1 0 "[ . 1]" 1
158 1 14 A H1' 1 14 A H2' . 2.400 3.000 2.840 2.751 2.902 . 0 0 "[ . 1]" 1
159 1 21 G H1' 1 21 G H2' 3.200 2.400 4.000 2.864 2.813 2.900 . 0 0 "[ . 1]" 1
160 1 21 G H1' 1 21 G H4' . 3.200 4.000 3.198 3.118 3.304 0.082 3 0 "[ . 1]" 1
161 1 24 A H1' 1 24 A H2' 4.600 3.200 6.000 2.982 2.830 3.094 0.370 2 0 "[ . 1]" 1
162 1 24 A H1' 1 24 A H3' 4.600 3.200 6.000 3.879 3.657 4.017 . 0 0 "[ . 1]" 1
163 1 8 U H1' 1 8 U H2' 3.200 2.400 4.000 2.854 2.797 2.902 . 0 0 "[ . 1]" 1
164 1 7 A H2 1 8 U H1' 3.200 2.400 4.000 4.080 3.898 4.123 0.123 7 0 "[ . 1]" 1
165 1 8 U H1' 1 8 U H6 4.600 3.200 6.000 3.562 3.517 3.599 . 0 0 "[ . 1]" 1
166 1 4 G H1' 1 4 G H2' . 2.400 3.000 2.807 2.784 2.825 . 0 0 "[ . 1]" 1
167 1 4 G H1' 1 4 G H3' 3.200 2.400 4.000 3.821 3.795 3.836 . 0 0 "[ . 1]" 1
168 1 4 G H1' 1 4 G H4' 3.200 2.400 4.000 3.312 3.250 3.422 . 0 0 "[ . 1]" 1
169 1 13 C H1' 1 13 C H6 4.600 3.200 6.000 3.251 3.174 3.283 0.026 7 0 "[ . 1]" 1
170 1 13 C H1' 1 20 A H2 4.600 3.200 6.000 6.031 5.980 6.053 0.053 5 0 "[ . 1]" 1
171 1 13 C H1' 1 14 A H8 4.600 3.200 6.000 5.213 5.009 5.351 . 0 0 "[ . 1]" 1
172 1 4 G H1' 1 4 G H5' 4.600 3.200 6.000 4.875 4.855 4.922 . 0 0 "[ . 1]" 1
173 1 12 G H4' 1 13 C H6 3.200 2.400 4.000 4.225 4.154 4.283 0.283 2 0 "[ . 1]" 1
174 1 1 G H2' 1 2 A H1' 3.200 3.200 4.000 3.884 3.745 4.015 0.015 6 0 "[ . 1]" 1
175 1 2 A H1' 1 2 A H3' 3.200 2.400 4.000 3.866 3.835 3.895 . 0 0 "[ . 1]" 1
176 1 5 A H1' 1 5 A H2' . 2.400 3.000 2.809 2.788 2.826 . 0 0 "[ . 1]" 1
177 1 5 A H1' 1 5 A H4' . 2.400 3.000 3.368 3.332 3.395 0.395 6 0 "[ . 1]" 1
178 1 5 A H1' 1 5 A H3' 3.200 2.400 4.000 3.853 3.814 3.888 . 0 0 "[ . 1]" 1
179 1 27 A H1' 1 27 A H3' 3.200 2.400 4.000 3.883 3.851 3.930 . 0 0 "[ . 1]" 1
180 1 7 A H1' 1 7 A H2' 2.200 . 3.000 2.816 2.780 2.862 . 0 0 "[ . 1]" 1
181 1 27 A H1' 1 27 A H2' 2.200 . 3.000 2.802 2.777 2.839 . 0 0 "[ . 1]" 1
182 1 7 A H1' 1 7 A H3' 3.200 2.400 4.000 3.907 3.863 3.941 . 0 0 "[ . 1]" 1
183 1 25 A H2 1 26 U H1' 3.200 2.400 4.000 3.926 3.708 4.022 0.022 5 0 "[ . 1]" 1
184 1 5 A H2 1 6 U H1' 3.200 2.400 4.000 3.938 3.770 4.017 0.017 7 0 "[ . 1]" 1
185 1 28 U H1' 1 28 U H2' 2.200 . 3.000 2.831 2.796 2.880 . 0 0 "[ . 1]" 1
186 1 26 U H1' 1 26 U H2' 2.200 . 3.000 2.869 2.841 2.911 . 0 0 "[ . 1]" 1
187 1 26 U H1' 1 26 U H3' 3.200 2.400 4.000 3.946 3.910 3.991 . 0 0 "[ . 1]" 1
188 1 6 U H1' 1 6 U H4' 3.200 2.400 4.000 3.118 3.020 3.159 . 0 0 "[ . 1]" 1
189 1 2 A H2 1 3 C H1' 3.200 2.400 4.000 4.031 3.981 4.056 0.056 9 0 "[ . 1]" 1
190 1 9 C H1' 1 24 A H2 3.200 3.200 4.000 3.907 3.219 4.164 0.164 9 0 "[ . 1]" 1
191 1 27 A H2 1 28 U H1' 3.200 2.400 4.000 4.038 3.948 4.088 0.088 10 0 "[ . 1]" 1
192 1 9 C H1' 1 9 C H2' 3.200 2.400 4.000 2.801 2.759 2.839 . 0 0 "[ . 1]" 1
193 1 5 A H2 1 29 C H1' 3.200 2.400 4.000 4.054 4.017 4.086 0.086 4 0 "[ . 1]" 1
194 1 29 C H1' 1 30 G H8 4.600 3.200 6.000 5.089 4.576 5.351 . 0 0 "[ . 1]" 1
195 1 29 C H1' 1 29 C H2' 2.200 . 3.000 2.783 2.767 2.799 . 0 0 "[ . 1]" 1
196 1 29 C H1' 1 29 C H3' 3.200 2.400 4.000 3.854 3.734 3.930 . 0 0 "[ . 1]" 1
197 1 28 U H2' 1 29 C H1' 3.200 2.400 4.000 3.626 3.348 3.996 . 0 0 "[ . 1]" 1
198 1 29 C H1' 1 29 C H4' 3.200 2.400 4.000 3.493 3.452 3.529 . 0 0 "[ . 1]" 1
199 1 31 U H1' 1 31 U H3' 3.200 2.400 4.000 3.942 3.901 3.987 . 0 0 "[ . 1]" 1
200 1 31 U H1' 1 31 U H4' 3.200 2.400 4.000 3.341 3.246 3.443 . 0 0 "[ . 1]" 1
201 1 31 U H1' 1 31 U H2' . 2.400 3.000 2.841 2.805 2.873 . 0 0 "[ . 1]" 1
202 1 3 C H2' 1 3 C H5 3.200 2.400 4.000 4.562 4.466 4.761 0.761 8 4 "[ *.- + *]" 1
203 1 29 C H5 1 29 C H6 2.200 . 3.000 2.418 2.414 2.421 . 0 0 "[ . 1]" 1
204 1 29 C H4' 1 29 C H5 4.600 3.200 6.000 6.224 6.173 6.265 0.265 4 0 "[ . 1]" 1
205 1 28 U H2' 1 29 C H5 . 3.200 4.000 3.308 3.164 3.547 0.036 10 0 "[ . 1]" 1
206 1 29 C H3' 1 29 C H5 4.600 3.200 6.000 4.366 3.878 4.831 . 0 0 "[ . 1]" 1
207 1 13 C H5 1 13 C H6 3.200 2.400 4.000 2.449 2.444 2.454 . 0 0 "[ . 1]" 1
208 1 16 C H5 1 16 C H6 2.200 . 3.000 2.414 2.387 2.446 . 0 0 "[ . 1]" 1
209 1 15 U H3' 1 16 C H5 4.600 3.200 6.000 3.481 2.878 5.128 0.322 6 0 "[ . 1]" 1
210 1 15 U H4' 1 16 C H5 4.600 3.200 6.000 5.023 3.603 5.485 . 0 0 "[ . 1]" 1
211 1 31 U H3' 1 32 C H5 3.200 2.400 4.000 3.716 3.150 4.027 0.027 5 0 "[ . 1]" 1
212 1 31 U H2' 1 32 C H5 . 3.200 4.000 3.812 3.219 4.045 0.045 5 0 "[ . 1]" 1
213 1 31 U H6 1 32 C H5 4.600 3.200 6.000 5.032 4.876 5.224 . 0 0 "[ . 1]" 1
214 1 5 A H1' 1 5 A H2 4.600 3.200 6.000 5.002 4.974 5.026 . 0 0 "[ . 1]" 1
215 1 2 A H1' 1 2 A H2 4.600 3.200 6.000 4.740 4.706 4.770 . 0 0 "[ . 1]" 1
216 1 11 A H1' 1 11 A H2 4.600 3.200 6.000 4.756 4.580 4.882 . 0 0 "[ . 1]" 1
217 1 17 A H1' 1 17 A H2 4.600 3.200 6.000 5.064 4.902 5.333 . 0 0 "[ . 1]" 1
218 1 20 A H2 1 21 G H1' 4.600 3.200 6.000 4.479 3.926 4.766 . 0 0 "[ . 1]" 1
219 1 17 A H2 1 17 A H2' 4.600 3.200 6.000 4.601 4.363 4.747 . 0 0 "[ . 1]" 1
220 1 18 A H1' 1 18 A H2 4.600 3.200 6.000 4.811 4.534 4.949 . 0 0 "[ . 1]" 1
221 1 27 A H3' 1 28 U H5 3.200 2.400 4.000 3.697 3.157 3.973 . 0 0 "[ . 1]" 1
222 1 31 U H4' 1 31 U H5 4.600 3.200 6.000 6.355 6.333 6.381 0.381 4 0 "[ . 1]" 1
223 1 15 U H2' 1 15 U H5 4.600 3.200 6.000 5.363 4.859 5.521 . 0 0 "[ . 1]" 1
224 1 21 G H2' 1 22 U H5 4.600 3.200 6.000 5.149 4.302 5.830 . 0 0 "[ . 1]" 1
225 1 14 A H3' 1 15 U H5 3.200 2.400 4.000 3.677 2.807 4.131 0.131 9 0 "[ . 1]" 1
226 1 32 C H4' 1 32 C H5' 2.200 . 3.000 2.305 2.199 2.388 . 0 0 "[ . 1]" 1
227 1 32 C H2' 1 32 C H4' 4.600 3.200 6.000 3.956 3.909 3.998 . 0 0 "[ . 1]" 1
228 1 32 C H3' 1 32 C H4' 3.200 2.400 4.000 2.945 2.917 2.974 . 0 0 "[ . 1]" 1
229 1 32 C H4' 1 32 C H6 4.600 3.200 6.000 3.982 3.789 4.056 . 0 0 "[ . 1]" 1
230 1 32 C H2' 1 32 C H5 4.600 3.200 6.000 5.122 4.972 5.323 . 0 0 "[ . 1]" 1
231 1 32 C H2' 1 32 C H3' 2.200 . 3.000 2.317 2.289 2.333 . 0 0 "[ . 1]" 1
232 1 32 C H2' 1 32 C H5' 3.200 2.400 4.000 4.967 4.797 5.206 1.206 4 10 [***+**-***] 1
233 1 23 G H3' 1 23 G H4' 3.200 2.400 4.000 2.904 2.713 2.973 . 0 0 "[ . 1]" 1
234 1 23 G H4' 1 23 G H5' 3.200 2.400 4.000 2.364 2.260 2.560 0.140 6 0 "[ . 1]" 1
235 1 18 A H3' 1 18 A H4' 3.200 2.400 4.000 2.898 2.611 2.993 . 0 0 "[ . 1]" 1
236 1 18 A H4' 1 18 A H5' 2.200 . 3.000 2.336 2.207 2.574 . 0 0 "[ . 1]" 1
237 1 17 A H4' 1 17 A H5' . 2.400 3.000 2.335 2.214 2.747 0.186 3 0 "[ . 1]" 1
238 1 17 A H2' 1 17 A H4' 3.200 2.400 4.000 3.907 3.794 4.029 0.029 1 0 "[ . 1]" 1
239 1 15 U H3' 1 15 U H4' 2.200 . 3.000 2.948 2.902 3.002 0.002 8 0 "[ . 1]" 1
240 1 15 U H4' 1 15 U H5' 2.200 . 3.000 2.256 2.184 2.359 . 0 0 "[ . 1]" 1
241 1 15 U H4' 1 16 C H6 4.600 3.200 6.000 4.380 3.207 5.121 . 0 0 "[ . 1]" 1
242 1 15 U H4' 1 15 U H6 4.600 3.200 6.000 4.035 3.914 4.224 . 0 0 "[ . 1]" 1
243 1 16 C H4' 1 17 A H8 4.600 3.200 6.000 4.491 3.616 6.017 0.017 1 0 "[ . 1]" 1
244 1 16 C H1' 1 16 C H4' 3.200 2.400 4.000 3.486 3.258 3.676 . 0 0 "[ . 1]" 1
245 1 16 C H3' 1 16 C H4' 2.200 . 3.000 2.965 2.915 3.006 0.006 4 0 "[ . 1]" 1
246 1 16 C H4' 1 16 C H6 4.600 3.200 6.000 3.943 3.789 4.037 . 0 0 "[ . 1]" 1
247 1 16 C H4' 1 16 C H5' 2.200 . 3.000 2.539 2.203 2.882 . 0 0 "[ . 1]" 1
248 1 19 G H4' 1 19 G H5' 2.200 . 3.000 2.473 2.235 2.796 . 0 0 "[ . 1]" 1
249 1 19 G H3' 1 19 G H4' 2.200 . 3.000 2.980 2.941 3.027 0.027 7 0 "[ . 1]" 1
250 1 12 G H1' 1 12 G H4' 3.200 2.400 4.000 3.359 3.266 3.459 . 0 0 "[ . 1]" 1
251 1 11 A H2' 1 11 A H4' 3.200 2.400 4.000 3.905 3.846 3.950 . 0 0 "[ . 1]" 1
252 1 14 A H4' 1 14 A H8 4.600 3.200 6.000 4.443 4.156 4.608 . 0 0 "[ . 1]" 1
253 1 14 A H1' 1 14 A H4' 3.200 2.400 4.000 3.324 3.120 3.642 . 0 0 "[ . 1]" 1
254 1 20 A H4' 1 20 A H5' 2.200 . 3.000 2.220 2.191 2.294 . 0 0 "[ . 1]" 1
255 1 20 A H3' 1 20 A H4' 2.200 . 3.000 2.914 2.870 2.948 . 0 0 "[ . 1]" 1
256 1 14 A H3' 1 14 A H4' 2.200 . 3.000 2.989 2.947 3.016 0.016 5 0 "[ . 1]" 1
257 1 14 A H4' 1 14 A H5' 2.200 . 3.000 2.352 2.186 2.498 . 0 0 "[ . 1]" 1
258 1 1 G H2' 1 1 G H4' . 3.200 4.000 3.866 3.813 4.008 0.008 4 0 "[ . 1]" 1
259 1 1 G H3' 1 1 G H4' . 2.400 3.000 2.983 2.908 3.007 0.007 3 0 "[ . 1]" 1
260 1 1 G H4' 1 1 G H5' 2.200 . 3.000 2.511 2.187 2.830 . 0 0 "[ . 1]" 1
261 1 11 A H3' 1 11 A H4' . 2.400 3.000 2.977 2.954 3.004 0.004 6 0 "[ . 1]" 1
262 1 24 A H1' 1 24 A H4' 3.200 2.400 4.000 3.180 2.801 3.726 . 0 0 "[ . 1]" 1
263 1 24 A H4' 1 24 A H8 4.600 3.200 6.000 4.507 3.938 4.817 . 0 0 "[ . 1]" 1
264 1 25 A H4' 1 25 A H8 4.600 3.200 6.000 4.263 4.102 4.377 . 0 0 "[ . 1]" 1
265 1 24 A H3' 1 24 A H4' 2.200 . 3.000 2.881 2.661 3.020 0.020 5 0 "[ . 1]" 1
266 1 25 A H4' 1 25 A H5' 2.200 . 3.000 2.260 2.198 2.349 . 0 0 "[ . 1]" 1
267 1 8 U H1' 1 8 U H4' 3.200 2.400 4.000 3.268 3.004 3.469 . 0 0 "[ . 1]" 1
268 1 8 U H4' 1 8 U H6 4.600 3.200 6.000 4.111 3.979 4.286 . 0 0 "[ . 1]" 1
269 1 9 C H4' 1 9 C H6 4.600 3.200 6.000 3.901 3.829 4.025 . 0 0 "[ . 1]" 1
270 1 31 U H4' 1 31 U H5' 2.200 . 3.000 2.362 2.262 2.471 . 0 0 "[ . 1]" 1
271 1 31 U H3' 1 31 U H4' 2.200 . 3.000 2.983 2.960 2.998 . 0 0 "[ . 1]" 1
272 1 9 C H3' 1 9 C H4' 2.200 . 3.000 2.991 2.975 3.014 0.014 7 0 "[ . 1]" 1
273 1 9 C H1' 1 9 C H4' 3.200 2.400 4.000 3.480 3.332 3.534 . 0 0 "[ . 1]" 1
274 1 2 A H1' 1 2 A H4' 3.200 2.400 4.000 3.474 3.394 3.565 . 0 0 "[ . 1]" 1
275 1 2 A H4' 1 2 A H8 3.200 2.400 4.000 4.139 4.084 4.194 0.194 7 0 "[ . 1]" 1
276 1 2 A H3' 1 2 A H4' 3.200 2.400 4.000 3.000 2.979 3.012 . 0 0 "[ . 1]" 1
277 1 27 A H1' 1 27 A H4' 3.200 2.400 4.000 3.431 3.310 3.526 . 0 0 "[ . 1]" 1
278 1 7 A H1' 1 7 A H4' 3.200 2.400 4.000 3.435 3.220 3.618 . 0 0 "[ . 1]" 1
279 1 27 A H3' 1 27 A H4' 2.200 . 3.000 3.003 2.989 3.016 0.016 6 0 "[ . 1]" 1
280 1 7 A H4' 1 7 A H8 4.600 3.200 6.000 4.358 4.250 4.485 . 0 0 "[ . 1]" 1
281 1 5 A H3' 1 5 A H4' 2.200 . 3.000 3.001 2.991 3.006 0.006 2 0 "[ . 1]" 1
282 1 30 G H1' 1 30 G H4' 3.200 2.400 4.000 3.269 3.157 3.345 . 0 0 "[ . 1]" 1
283 1 26 U H1' 1 26 U H4' 3.200 2.400 4.000 3.277 3.169 3.378 . 0 0 "[ . 1]" 1
284 1 26 U H4' 1 26 U H6 3.200 2.400 4.000 3.995 3.888 4.057 0.057 4 0 "[ . 1]" 1
285 1 4 G H4' 1 4 G H8 4.600 3.200 6.000 4.369 4.305 4.410 . 0 0 "[ . 1]" 1
286 1 30 G H4' 1 30 G H8 4.600 3.200 6.000 4.465 4.438 4.492 . 0 0 "[ . 1]" 1
287 1 3 C H1' 1 3 C H4' 3.200 2.400 4.000 3.130 3.048 3.238 . 0 0 "[ . 1]" 1
288 1 28 U H4' 1 28 U H6 3.200 2.400 4.000 4.056 3.970 4.117 0.117 10 0 "[ . 1]" 1
289 1 29 C H4' 1 29 C H6 3.200 2.400 4.000 3.814 3.769 3.855 . 0 0 "[ . 1]" 1
290 1 28 U H1' 1 28 U H4' 3.200 2.400 4.000 3.258 3.125 3.434 . 0 0 "[ . 1]" 1
291 1 29 C H2' 1 29 C H4' 3.200 2.400 4.000 3.811 3.695 3.902 . 0 0 "[ . 1]" 1
292 1 29 C H3' 1 29 C H4' 2.200 . 3.000 2.994 2.969 3.015 0.015 3 0 "[ . 1]" 1
293 1 3 C H4' 1 3 C H6 3.200 2.400 4.000 4.116 4.059 4.148 0.148 7 0 "[ . 1]" 1
294 1 32 C H3' 1 32 C H5' 3.200 2.400 4.000 2.989 2.731 3.410 . 0 0 "[ . 1]" 1
295 1 31 U H2' 1 32 C H3' 4.600 3.200 6.000 6.022 5.859 6.111 0.111 8 0 "[ . 1]" 1
296 1 32 C H3' 1 32 C H5 4.600 3.200 6.000 5.107 4.924 5.353 . 0 0 "[ . 1]" 1
297 1 23 G H2' 1 23 G H3' 2.200 . 3.000 2.341 2.304 2.385 . 0 0 "[ . 1]" 1
298 1 23 G H3' 1 23 G H5' 3.200 2.400 4.000 3.215 2.461 3.712 . 0 0 "[ . 1]" 1
299 1 18 A H3' 1 18 A H8 3.200 2.400 4.000 3.593 3.078 4.279 0.279 8 0 "[ . 1]" 1
300 1 18 A H2' 1 18 A H3' 2.200 . 3.000 2.373 2.339 2.410 . 0 0 "[ . 1]" 1
301 1 18 A H2' 1 18 A H4' 3.200 2.400 4.000 3.903 3.826 3.981 . 0 0 "[ . 1]" 1
302 1 14 A H2' 1 14 A H8 3.200 2.400 4.000 4.195 4.077 4.308 0.308 2 0 "[ . 1]" 1
303 1 14 A H2' 1 15 U H6 3.200 2.400 4.000 3.185 2.414 3.874 . 0 0 "[ . 1]" 1
304 1 14 A H2' 1 14 A H3' 2.200 . 3.000 2.355 2.332 2.372 . 0 0 "[ . 1]" 1
305 1 16 C H3' 1 16 C H5 3.200 2.400 4.000 4.299 4.103 4.422 0.422 10 0 "[ . 1]" 1
306 1 16 C H2' 1 16 C H6 2.200 . 3.000 3.148 2.797 3.653 0.653 4 1 "[ +. 1]" 1
307 1 16 C H2' 1 16 C H3' 2.200 . 3.000 2.347 2.330 2.376 . 0 0 "[ . 1]" 1
308 1 25 A H1' 1 25 A H2' 3.200 2.400 4.000 2.812 2.756 2.851 . 0 0 "[ . 1]" 1
309 1 23 G H2' 1 23 G H4' 3.200 2.400 4.000 3.974 3.903 4.075 0.075 6 0 "[ . 1]" 1
310 1 25 A H2' 1 25 A H4' 3.200 2.400 4.000 3.937 3.869 3.995 . 0 0 "[ . 1]" 1
311 1 11 A H2' 1 11 A H8 4.600 3.200 6.000 4.056 3.840 4.203 . 0 0 "[ . 1]" 1
312 1 20 A H2' 1 20 A H8 4.600 3.200 6.000 3.994 3.881 4.065 . 0 0 "[ . 1]" 1
313 1 5 A H2' 1 6 U H6 2.200 . 3.000 3.018 2.908 3.067 0.067 3 0 "[ . 1]" 1
314 1 2 A H2' 1 3 C H6 2.200 . 3.000 2.794 2.483 3.008 0.008 1 0 "[ . 1]" 1
315 1 29 C H2' 1 30 G H8 2.200 . 3.000 2.732 1.974 3.039 0.039 7 0 "[ . 1]" 1
316 1 8 U H2' 1 9 C H6 2.200 . 3.000 2.992 2.934 3.041 0.041 2 0 "[ . 1]" 1
317 1 2 A H1' 1 2 A H2' 3.200 2.400 4.000 2.809 2.797 2.823 . 0 0 "[ . 1]" 1
318 1 3 C H1' 1 3 C H2' 2.200 . 3.000 2.909 2.860 2.953 . 0 0 "[ . 1]" 1
319 1 2 A H2' 1 3 C H1' 4.600 3.200 6.000 3.738 3.536 3.909 . 0 0 "[ . 1]" 1
320 1 15 U H2' 1 15 U H3' . 2.400 3.000 2.355 2.336 2.398 0.064 4 0 "[ . 1]" 1
321 1 7 A H2' 1 7 A H3' 2.200 . 3.000 2.392 2.378 2.419 . 0 0 "[ . 1]" 1
322 1 27 A H2' 1 27 A H3' 2.200 . 3.000 2.398 2.378 2.415 . 0 0 "[ . 1]" 1
323 1 30 G H1' 1 30 G H2' 3.200 2.400 4.000 2.814 2.785 2.859 . 0 0 "[ . 1]" 1
324 1 31 U H2' 1 31 U H3' . 2.400 3.000 2.372 2.355 2.386 0.045 3 0 "[ . 1]" 1
325 1 13 C H2' 1 13 C H6 3.200 2.400 4.000 4.261 4.160 4.367 0.367 7 0 "[ . 1]" 1
326 1 13 C H2' 1 14 A H8 3.200 2.400 4.000 4.039 3.878 4.147 0.147 2 0 "[ . 1]" 1
327 1 26 U H2' 1 27 A H8 2.200 . 3.000 2.082 1.942 2.279 . 0 0 "[ . 1]" 1
328 1 6 U H2' 1 7 A H8 2.200 . 3.000 2.446 2.209 2.673 . 0 0 "[ . 1]" 1
329 1 13 C H2' 1 13 C H3' 2.200 . 3.000 2.356 2.322 2.382 . 0 0 "[ . 1]" 1
330 1 28 U H2' 1 28 U H3' 2.200 . 3.000 2.400 2.367 2.420 . 0 0 "[ . 1]" 1
331 1 30 G H2' 1 31 U H6 2.200 . 3.000 1.593 1.496 1.735 . 0 0 "[ . 1]" 1
332 1 4 G H2' 1 5 A H1' 4.600 3.200 6.000 3.159 3.105 3.191 0.095 2 0 "[ . 1]" 1
333 1 8 U H2' 1 9 C H5 3.200 2.400 4.000 4.017 3.773 4.096 0.096 8 0 "[ . 1]" 1
334 1 22 U H1' 1 22 U H2' 3.200 2.400 4.000 2.805 2.765 2.831 . 0 0 "[ . 1]" 1
335 1 9 C H2' 1 9 C H3' 2.200 . 3.000 2.392 2.378 2.437 . 0 0 "[ . 1]" 1
336 1 6 U H1' 1 6 U H2' 2.200 . 3.000 2.856 2.843 2.881 . 0 0 "[ . 1]" 1
337 1 6 U H2' 1 6 U H4' 3.200 2.400 4.000 3.705 3.649 3.750 . 0 0 "[ . 1]" 1
338 1 22 U H2' 1 22 U H3' 3.200 2.400 4.000 2.380 2.364 2.397 0.036 9 0 "[ . 1]" 1
339 1 3 C H2' 1 4 G H1' 3.200 2.400 4.000 3.298 2.874 3.728 . 0 0 "[ . 1]" 1
340 1 7 A H2 1 7 A H2' 4.600 3.200 6.000 4.391 4.260 4.641 . 0 0 "[ . 1]" 1
341 1 24 A H2' 1 25 A H8 3.200 2.400 4.000 3.168 2.368 4.341 0.341 1 0 "[ . 1]" 1
342 1 10 G H2' 1 11 A H8 3.200 2.400 4.000 2.616 2.472 2.820 . 0 0 "[ . 1]" 1
343 1 20 A H1' 1 20 A H3' 4.600 3.200 6.000 3.984 3.955 4.020 . 0 0 "[ . 1]" 1
344 1 19 G H2' 1 20 A H8 4.600 3.200 6.000 3.256 3.061 4.024 0.139 3 0 "[ . 1]" 1
345 1 20 A H3' 1 20 A H8 4.600 3.200 6.000 3.213 3.133 3.334 0.067 6 0 "[ . 1]" 1
346 1 1 G H2' 1 1 G H3' 2.200 . 3.000 2.384 2.335 2.405 . 0 0 "[ . 1]" 1
347 1 1 G H3' 1 1 G H5' 3.200 2.400 4.000 2.978 2.309 3.716 0.091 10 0 "[ . 1]" 1
348 1 12 G H3' 1 12 G H5' 3.200 2.400 4.000 2.925 2.369 3.204 0.031 8 0 "[ . 1]" 1
349 1 12 G H3' 1 12 G H8 2.200 . 3.000 3.223 3.160 3.274 0.274 7 0 "[ . 1]" 1
350 1 12 G H3' 1 12 G H4' 3.200 2.400 4.000 2.995 2.985 2.999 . 0 0 "[ . 1]" 1
351 1 21 G H3' 1 21 G H4' 2.200 . 3.000 3.001 2.987 3.014 0.014 9 0 "[ . 1]" 1
352 1 24 A H3' 1 24 A H8 4.600 3.200 6.000 4.078 3.087 5.271 0.113 8 0 "[ . 1]" 1
353 1 10 G H3' 1 10 G H8 3.200 2.400 4.000 3.469 2.988 3.765 . 0 0 "[ . 1]" 1
354 1 10 G H3' 1 11 A H8 3.200 2.400 4.000 3.365 2.912 4.035 0.035 1 0 "[ . 1]" 1
355 1 11 A H3' 1 11 A H5' 3.200 2.400 4.000 3.691 3.637 3.732 . 0 0 "[ . 1]" 1
356 1 11 A H3' 1 12 G H4' 3.200 2.400 4.000 4.015 3.652 4.105 0.105 5 0 "[ . 1]" 1
357 1 11 A H2' 1 11 A H3' 3.200 2.400 4.000 2.376 2.353 2.399 0.047 4 0 "[ . 1]" 1
358 1 4 G H3' 1 5 A H8 3.200 2.400 4.000 2.229 2.186 2.289 0.214 9 0 "[ . 1]" 1
359 1 30 G H3' 1 31 U H6 2.200 . 3.000 2.476 2.218 2.697 . 0 0 "[ . 1]" 1
360 1 30 G H3' 1 30 G H8 3.200 2.400 4.000 3.328 3.262 3.401 . 0 0 "[ . 1]" 1
361 1 9 C H1' 1 9 C H3' 4.600 3.200 6.000 3.906 3.785 3.944 . 0 0 "[ . 1]" 1
362 1 30 G H1' 1 30 G H3' 3.200 2.400 4.000 3.793 3.759 3.837 . 0 0 "[ . 1]" 1
363 1 26 U H3' 1 27 A H8 3.200 2.400 4.000 3.013 2.705 3.268 . 0 0 "[ . 1]" 1
364 1 8 U H2' 1 8 U H3' 3.200 2.400 4.000 2.376 2.352 2.392 0.048 7 0 "[ . 1]" 1
365 1 8 U H1' 1 8 U H3' 4.600 3.200 6.000 3.929 3.890 3.996 . 0 0 "[ . 1]" 1
366 1 5 A H2' 1 5 A H3' 2.200 . 3.000 2.409 2.392 2.432 . 0 0 "[ . 1]" 1
367 1 3 C H1' 1 3 C H3' 3.200 2.400 4.000 3.979 3.947 4.018 0.018 7 0 "[ . 1]" 1
368 1 6 U H3' 1 6 U H6 2.200 . 3.000 3.096 3.048 3.137 0.137 3 0 "[ . 1]" 1
369 1 31 U H3' 1 31 U H6 3.200 2.400 4.000 3.640 3.460 3.859 . 0 0 "[ . 1]" 1
370 1 28 U H3' 1 29 C H6 3.200 2.400 4.000 3.389 3.156 3.732 . 0 0 "[ . 1]" 1
371 1 6 U H3' 1 7 A H8 3.200 2.400 4.000 2.483 2.342 2.708 0.058 5 0 "[ . 1]" 1
372 1 6 U H1' 1 6 U H3' 3.200 2.400 4.000 3.827 3.788 3.864 . 0 0 "[ . 1]" 1
373 1 28 U H3' 1 29 C H5 4.600 3.200 6.000 3.458 3.192 3.951 0.008 7 0 "[ . 1]" 1
374 1 4 G H2' 1 4 G H3' 2.200 . 3.000 2.440 2.432 2.448 . 0 0 "[ . 1]" 1
375 1 19 G H3' 1 19 G H5' 3.200 2.400 4.000 3.258 2.331 3.678 0.069 9 0 "[ . 1]" 1
376 1 1 G H1' 1 1 G H5' 4.600 3.200 6.000 4.999 4.805 5.188 . 0 0 "[ . 1]" 1
377 1 18 A H3' 1 18 A H5' 2.200 . 3.000 2.931 2.441 3.233 0.233 10 0 "[ . 1]" 1
378 1 17 A H2' 1 17 A H5' 3.200 2.400 4.000 4.743 3.814 5.152 1.152 2 8 "[*+*** *-*]" 1
379 1 17 A H5' 1 17 A H8 4.600 3.200 6.000 4.959 4.254 5.554 . 0 0 "[ . 1]" 1
380 1 16 C H5' 1 16 C H6 3.200 2.400 4.000 3.313 2.354 4.015 0.046 6 0 "[ . 1]" 1
381 1 14 A H3' 1 14 A H5' 3.200 2.400 4.000 3.194 2.566 3.706 . 0 0 "[ . 1]" 1
382 1 2 A H5' 1 2 A H8 3.200 2.400 4.000 3.258 3.028 3.589 . 0 0 "[ . 1]" 1
383 1 4 G H5' 1 4 G H8 4.600 3.200 6.000 4.383 4.230 4.511 . 0 0 "[ . 1]" 1
384 1 32 C H5' 1 32 C H6 3.200 2.400 4.000 3.900 3.592 4.057 0.057 4 0 "[ . 1]" 1
385 1 31 U H5' 1 31 U H6 4.600 3.200 6.000 3.570 3.152 3.917 0.048 10 0 "[ . 1]" 1
386 1 32 C H1' 1 32 C H5' 4.600 3.200 6.000 5.176 5.076 5.228 . 0 0 "[ . 1]" 1
387 1 27 A H5' 1 27 A H8 4.600 3.200 6.000 4.037 3.735 4.335 . 0 0 "[ . 1]" 1
388 1 7 A H5' 1 7 A H8 4.600 3.200 6.000 4.052 3.798 4.432 . 0 0 "[ . 1]" 1
389 1 27 A H1' 1 27 A H5' 4.600 3.200 6.000 4.893 4.810 4.954 . 0 0 "[ . 1]" 1
390 1 7 A H3' 1 7 A H5' 3.200 2.400 4.000 3.690 3.645 3.730 . 0 0 "[ . 1]" 1
391 1 29 C H5' 1 29 C H6 4.600 3.200 6.000 3.394 3.096 3.726 0.104 10 0 "[ . 1]" 1
392 1 9 C H5' 1 9 C H6 4.600 3.200 6.000 3.657 3.481 3.887 . 0 0 "[ . 1]" 1
393 1 26 U H5' 1 26 U H6 4.600 3.200 6.000 3.760 3.469 4.046 . 0 0 "[ . 1]" 1
394 1 3 C H5' 1 3 C H6 3.200 2.400 4.000 4.025 3.731 4.213 0.213 1 0 "[ . 1]" 1
395 1 9 C H4' 1 9 C H5' 2.200 . 3.000 2.250 2.236 2.278 . 0 0 "[ . 1]" 1
396 1 5 A H5' 1 5 A H8 3.200 2.400 4.000 3.387 3.276 3.468 . 0 0 "[ . 1]" 1
397 1 3 C H1' 1 3 C H5' 4.600 3.200 6.000 4.639 4.594 4.747 . 0 0 "[ . 1]" 1
398 1 29 C H1' 1 29 C H5' 4.600 3.200 6.000 4.773 4.597 4.955 . 0 0 "[ . 1]" 1
399 1 28 U H5' 1 28 U H6 4.600 3.200 6.000 3.716 3.197 4.009 0.003 6 0 "[ . 1]" 1
400 1 6 U H5' 1 6 U H6 4.600 3.200 6.000 4.117 3.714 4.377 . 0 0 "[ . 1]" 1
401 1 15 U H5' 1 15 U H6 4.600 3.200 6.000 3.873 3.225 4.657 . 0 0 "[ . 1]" 1
402 1 15 U H5' 1 16 C H5 4.600 3.200 6.000 5.653 4.433 6.278 0.278 6 0 "[ . 1]" 1
403 1 20 A H1' 1 20 A H5' 4.600 3.200 6.000 5.163 4.933 5.239 . 0 0 "[ . 1]" 1
404 1 20 A H3' 1 20 A H5' 3.200 2.400 4.000 3.270 2.932 3.650 . 0 0 "[ . 1]" 1
405 1 1 G H1' 1 2 A H5' 4.600 3.200 6.000 4.391 4.343 4.451 . 0 0 "[ . 1]" 1
406 1 2 A H3' 1 2 A H5' 4.600 3.200 6.000 3.695 3.639 3.758 . 0 0 "[ . 1]" 1
407 1 6 U H1' 1 6 U H5' 4.600 3.200 6.000 4.646 4.516 4.748 . 0 0 "[ . 1]" 1
408 1 10 G H5' 1 10 G H8 4.600 3.200 6.000 4.427 4.100 4.779 . 0 0 "[ . 1]" 1
409 1 12 G H5' 1 12 G H8 4.600 3.200 6.000 4.344 3.911 4.580 . 0 0 "[ . 1]" 1
410 1 11 A H5' 1 11 A H8 4.600 3.200 6.000 3.765 3.504 3.952 . 0 0 "[ . 1]" 1
411 1 13 C H3' 1 13 C H6 3.200 2.400 4.000 3.810 3.513 4.086 0.086 8 0 "[ . 1]" 1
412 1 11 A H2 1 12 G H1' 4.600 3.200 6.000 4.006 3.463 4.580 . 0 0 "[ . 1]" 1
413 1 17 A H2 1 19 G H1' 4.600 3.200 6.000 5.410 3.668 6.138 0.138 2 0 "[ . 1]" 1
414 1 24 A H2 1 25 A H1' 4.600 3.200 6.000 4.894 3.134 6.060 0.066 3 0 "[ . 1]" 1
415 1 14 A H1' 1 14 A H2 4.600 3.200 6.000 5.063 4.985 5.167 . 0 0 "[ . 1]" 1
416 1 20 A H1' 1 20 A H2 4.600 3.200 6.000 4.719 4.634 4.790 . 0 0 "[ . 1]" 1
417 1 11 A H2 1 22 U H1' 4.600 3.200 6.000 5.521 4.314 6.038 0.038 2 0 "[ . 1]" 1
418 1 14 A H2 1 15 U H1' 4.600 3.200 6.000 5.045 3.183 6.052 0.052 3 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 52
_Distance_constraint_stats_list.Viol_count 77
_Distance_constraint_stats_list.Viol_total 179.739
_Distance_constraint_stats_list.Viol_max 1.389
_Distance_constraint_stats_list.Viol_rms 0.1295
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0346
_Distance_constraint_stats_list.Viol_average_violations_only 0.2334
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 G 0.494 0.090 8 0 "[ . 1]"
1 2 A 0.494 0.090 8 0 "[ . 1]"
1 3 C 0.000 0.000 . 0 "[ . 1]"
1 4 G 5.316 0.584 1 8 "[+* ** *-**]"
1 5 A 5.316 0.584 1 8 "[+* ** *-**]"
1 6 U 0.000 0.000 . 0 "[ . 1]"
1 7 A 0.000 0.000 . 0 "[ . 1]"
1 8 U 0.000 0.000 . 0 "[ . 1]"
1 9 C 0.000 0.000 . 0 "[ . 1]"
1 13 C 0.882 0.180 2 0 "[ . 1]"
1 14 A 0.000 0.000 . 0 "[ . 1]"
1 15 U 0.000 0.000 . 0 "[ . 1]"
1 16 C 0.584 0.172 5 0 "[ . 1]"
1 17 A 0.751 0.172 5 0 "[ . 1]"
1 18 A 0.555 0.152 3 0 "[ . 1]"
1 19 G 0.389 0.152 3 0 "[ . 1]"
1 20 A 0.011 0.011 2 0 "[ . 1]"
1 21 G 0.011 0.011 2 0 "[ . 1]"
1 22 U 5.743 1.389 7 4 "[-* .*+ 1]"
1 23 G 5.700 1.389 7 4 "[-* .*+ 1]"
1 24 A 5.835 1.389 7 4 "[-* .*+ 1]"
1 25 A 0.974 0.251 3 0 "[ . 1]"
1 26 U 0.000 0.000 . 0 "[ . 1]"
1 27 A 0.000 0.000 . 0 "[ . 1]"
1 28 U 0.000 0.000 . 0 "[ . 1]"
1 29 C 2.176 0.337 4 0 "[ . 1]"
1 30 G 4.295 0.337 4 0 "[ . 1]"
1 31 U 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 14 A H2' 1 15 U H6 3.200 2.400 4.000 3.165 2.411 3.840 . 0 0 "[ . 1]" 2
2 1 30 G H2' 1 31 U H6 2.200 . 3.000 1.571 1.487 1.676 . 0 0 "[ . 1]" 2
3 1 8 U H2' 1 9 C H6 2.200 . 3.000 2.886 2.827 2.928 . 0 0 "[ . 1]" 2
4 1 8 U H3' 1 9 C H6 3.200 2.400 4.000 3.395 3.199 3.609 . 0 0 "[ . 1]" 2
5 1 29 C H1' 1 29 C H6 2.200 . 3.000 2.381 2.378 2.384 . 0 0 "[ . 1]" 2
6 1 28 U H3' 1 29 C H6 3.200 2.400 4.000 3.160 3.013 3.362 . 0 0 "[ . 1]" 2
7 1 16 C H2' 1 17 A H8 3.200 2.400 4.000 3.508 2.763 4.043 0.043 6 0 "[ . 1]" 2
8 1 19 G H3' 1 20 A H8 3.200 2.400 4.000 2.957 2.661 3.136 . 0 0 "[ . 1]" 2
9 1 19 G H2' 1 20 A H8 3.200 2.400 4.000 3.105 2.962 3.583 . 0 0 "[ . 1]" 2
10 1 14 A H2' 1 14 A H8 3.200 2.400 4.000 3.833 3.758 3.913 . 0 0 "[ . 1]" 2
11 1 2 A H2' 1 2 A H8 3.200 2.400 4.000 3.638 3.614 3.666 . 0 0 "[ . 1]" 2
12 1 27 A H4' 1 27 A H8 3.200 2.400 4.000 3.693 3.490 3.890 . 0 0 "[ . 1]" 2
13 1 26 U H2' 1 27 A H8 2.200 . 3.000 2.041 1.924 2.210 . 0 0 "[ . 1]" 2
14 1 6 U H2' 1 7 A H8 2.200 . 3.000 2.430 2.201 2.649 . 0 0 "[ . 1]" 2
15 1 24 A H2' 1 25 A H8 3.200 2.400 4.000 2.979 2.356 3.883 0.044 10 0 "[ . 1]" 2
16 1 18 A H2' 1 19 G H8 4.600 3.200 6.000 3.437 3.048 4.027 0.152 3 0 "[ . 1]" 2
17 1 20 A H2' 1 21 G H8 4.600 3.200 6.000 3.362 3.189 3.474 0.011 2 0 "[ . 1]" 2
18 1 20 A H4' 1 21 G H8 4.600 3.200 6.000 3.950 3.756 4.074 . 0 0 "[ . 1]" 2
19 1 30 G H2' 1 30 G H8 2.200 . 3.000 3.212 3.164 3.267 0.267 3 0 "[ . 1]" 2
20 1 29 C H2' 1 30 G H8 2.200 . 3.000 2.233 1.762 2.516 . 0 0 "[ . 1]" 2
21 1 29 C H1' 1 30 G H8 3.200 2.400 4.000 4.218 4.098 4.337 0.337 4 0 "[ . 1]" 2
22 1 2 A H2' 1 3 C H6 2.200 . 3.000 2.788 2.480 2.998 . 0 0 "[ . 1]" 2
23 1 5 A H2' 1 6 U H6 2.200 . 3.000 2.722 2.648 2.762 . 0 0 "[ . 1]" 2
24 1 1 G H1' 1 1 G H8 3.200 2.400 4.000 3.557 3.497 3.589 . 0 0 "[ . 1]" 2
25 1 7 A H1' 1 7 A H2 3.200 2.400 4.000 3.865 3.744 3.990 . 0 0 "[ . 1]" 2
26 1 7 A H2 1 7 A H2' 4.600 3.200 6.000 3.965 3.896 4.076 . 0 0 "[ . 1]" 2
27 1 7 A H2 1 8 U H1' 3.200 2.400 4.000 3.608 3.485 3.645 . 0 0 "[ . 1]" 2
28 1 16 C H2' 1 17 A H1' 4.600 3.200 6.000 5.699 4.781 6.172 0.172 5 0 "[ . 1]" 2
29 1 23 G H2' 1 24 A H1' 3.200 2.400 4.000 3.488 2.540 4.251 0.251 3 0 "[ . 1]" 2
30 1 22 U H1' 1 22 U H2' 3.200 2.400 4.000 2.696 2.681 2.706 . 0 0 "[ . 1]" 2
31 1 21 G H1' 1 21 G H8 3.200 2.400 4.000 3.094 3.066 3.126 . 0 0 "[ . 1]" 2
32 1 8 U H1' 1 8 U H3' 3.200 2.400 4.000 3.111 2.912 3.246 . 0 0 "[ . 1]" 2
33 1 2 A H1' 1 2 A H2' 2.200 . 3.000 2.696 2.685 2.707 . 0 0 "[ . 1]" 2
34 1 7 A H1' 1 7 A H4' 3.200 2.400 4.000 3.053 2.961 3.144 . 0 0 "[ . 1]" 2
35 1 6 U H1' 1 6 U H6 3.200 2.400 4.000 3.110 3.091 3.123 . 0 0 "[ . 1]" 2
36 1 6 U H1' 1 6 U H2' 2.200 . 3.000 2.781 2.770 2.804 . 0 0 "[ . 1]" 2
37 1 30 G H1' 1 30 G H2' 2.200 . 3.000 2.743 2.716 2.784 . 0 0 "[ . 1]" 2
38 1 8 U H4' 1 9 C H5 4.600 3.200 6.000 5.828 5.721 5.914 . 0 0 "[ . 1]" 2
39 1 8 U H2' 1 9 C H5 4.600 3.200 6.000 3.912 3.701 3.974 . 0 0 "[ . 1]" 2
40 1 30 G H2' 1 31 U H5 3.200 2.400 4.000 2.508 2.408 2.803 . 0 0 "[ . 1]" 2
41 1 13 C H1' 1 13 C H4' 4.600 3.200 6.000 3.119 3.020 3.248 0.180 2 0 "[ . 1]" 2
42 1 1 G H4' 1 1 G H8 3.200 2.400 4.000 4.032 3.828 4.090 0.090 8 0 "[ . 1]" 2
43 1 8 U H4' 1 8 U H5' 2.200 . 3.000 2.036 1.998 2.080 . 0 0 "[ . 1]" 2
44 1 7 A H4' 1 7 A H5' 2.200 . 3.000 2.013 1.995 2.055 . 0 0 "[ . 1]" 2
45 1 22 U H5' 1 23 G H3' 3.200 2.400 4.000 4.416 3.668 5.389 1.389 7 4 "[-* .*+ 1]" 2
46 1 16 C H2' 1 16 C H3' 2.200 . 3.000 2.262 2.247 2.292 . 0 0 "[ . 1]" 2
47 1 4 G H2' 1 4 G H4' 2.200 . 3.000 3.532 3.492 3.584 0.584 1 8 "[+* ** *-**]" 2
48 1 21 G H3' 1 21 G H8 3.200 2.400 4.000 3.016 2.647 3.574 . 0 0 "[ . 1]" 2
49 1 3 C H3' 1 3 C H6 2.200 . 3.000 2.586 2.446 2.819 . 0 0 "[ . 1]" 2
50 1 16 C H2' 1 16 C H5' 2.200 . 3.000 2.528 2.201 2.852 . 0 0 "[ . 1]" 2
51 1 3 C H3' 1 3 C H5' 2.200 . 3.000 2.314 2.241 2.419 . 0 0 "[ . 1]" 2
52 1 17 A H1' 1 17 A H2 3.200 2.400 4.000 3.663 2.815 4.050 0.050 9 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 62
_Distance_constraint_stats_list.Viol_count 241
_Distance_constraint_stats_list.Viol_total 107.969
_Distance_constraint_stats_list.Viol_max 0.137
_Distance_constraint_stats_list.Viol_rms 0.0279
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0174
_Distance_constraint_stats_list.Viol_average_violations_only 0.0448
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 G 0.187 0.044 7 0 "[ . 1]"
1 2 A 0.495 0.084 4 0 "[ . 1]"
1 3 C 2.209 0.093 5 0 "[ . 1]"
1 4 G 2.458 0.137 7 0 "[ . 1]"
1 5 A 0.920 0.088 1 0 "[ . 1]"
1 6 U 0.674 0.057 7 0 "[ . 1]"
1 7 A 0.408 0.063 3 0 "[ . 1]"
1 8 U 0.018 0.014 7 0 "[ . 1]"
1 9 C 0.473 0.074 1 0 "[ . 1]"
1 10 G 1.167 0.134 10 0 "[ . 1]"
1 11 A 0.219 0.032 5 0 "[ . 1]"
1 12 G 0.059 0.042 2 0 "[ . 1]"
1 13 C 1.510 0.080 1 0 "[ . 1]"
1 19 G 1.510 0.080 1 0 "[ . 1]"
1 20 A 0.059 0.042 2 0 "[ . 1]"
1 21 G 0.219 0.032 5 0 "[ . 1]"
1 22 U 1.167 0.134 10 0 "[ . 1]"
1 23 G 0.473 0.074 1 0 "[ . 1]"
1 25 A 0.018 0.014 7 0 "[ . 1]"
1 26 U 0.408 0.063 3 0 "[ . 1]"
1 27 A 0.674 0.057 7 0 "[ . 1]"
1 28 U 0.920 0.088 1 0 "[ . 1]"
1 29 C 2.458 0.137 7 0 "[ . 1]"
1 30 G 2.209 0.093 5 0 "[ . 1]"
1 31 U 0.495 0.084 4 0 "[ . 1]"
1 32 C 0.187 0.044 7 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 N1 1 32 C N3 2.950 2.750 3.150 3.007 2.935 3.082 . 0 0 "[ . 1]" 3
2 1 1 G H1 1 32 C N3 1.890 . 2.090 2.003 1.937 2.074 . 0 0 "[ . 1]" 3
3 1 1 G H22 1 32 C O2 2.080 . 2.280 2.187 1.967 2.317 0.037 7 0 "[ . 1]" 3
4 1 1 G N2 1 32 C O2 3.080 2.880 3.280 3.193 2.976 3.324 0.044 7 0 "[ . 1]" 3
5 1 1 G O6 1 32 C H42 1.710 . 1.910 1.770 1.680 1.887 . 0 0 "[ . 1]" 3
6 1 1 G O6 1 32 C N4 2.720 2.520 2.920 2.737 2.662 2.872 . 0 0 "[ . 1]" 3
7 1 3 C N3 1 30 G N1 2.950 2.750 3.150 2.911 2.887 2.935 . 0 0 "[ . 1]" 3
8 1 3 C N3 1 30 G H1 1.890 . 2.090 1.901 1.877 1.934 . 0 0 "[ . 1]" 3
9 1 3 C O2 1 30 G H22 2.080 . 2.280 1.814 1.790 1.824 0.090 1 0 "[ . 1]" 3
10 1 3 C O2 1 30 G N2 3.080 2.880 3.280 2.808 2.787 2.831 0.093 5 0 "[ . 1]" 3
11 1 3 C H42 1 30 G O6 1.710 . 1.910 1.950 1.926 1.983 0.073 1 0 "[ . 1]" 3
12 1 3 C N4 1 30 G O6 2.720 2.520 2.920 2.963 2.940 2.999 0.079 1 0 "[ . 1]" 3
13 1 4 G N1 1 29 C N3 2.950 2.750 3.150 2.849 2.808 2.873 . 0 0 "[ . 1]" 3
14 1 4 G H1 1 29 C N3 1.890 . 2.090 1.868 1.816 1.895 . 0 0 "[ . 1]" 3
15 1 4 G H22 1 29 C O2 2.080 . 2.280 1.850 1.825 1.874 0.055 4 0 "[ . 1]" 3
16 1 4 G N2 1 29 C O2 3.080 2.880 3.280 2.769 2.743 2.786 0.137 7 0 "[ . 1]" 3
17 1 4 G O6 1 29 C H42 1.710 . 1.910 1.971 1.948 1.996 0.086 7 0 "[ . 1]" 3
18 1 4 G O6 1 29 C N4 2.720 2.520 2.920 2.964 2.934 2.991 0.071 7 0 "[ . 1]" 3
19 1 9 C N3 1 23 G N1 2.950 2.750 3.150 2.925 2.887 2.961 . 0 0 "[ . 1]" 3
20 1 9 C N3 1 23 G H1 1.890 . 2.090 1.924 1.888 1.955 . 0 0 "[ . 1]" 3
21 1 9 C O2 1 23 G H22 2.080 . 2.280 1.888 1.833 2.106 0.047 1 0 "[ . 1]" 3
22 1 9 C O2 1 23 G N2 3.080 2.880 3.280 2.886 2.806 3.113 0.074 1 0 "[ . 1]" 3
23 1 9 C H42 1 23 G O6 1.710 . 1.910 1.866 1.695 1.927 0.017 3 0 "[ . 1]" 3
24 1 9 C N4 1 23 G O6 2.720 2.520 2.920 2.873 2.710 2.931 0.011 3 0 "[ . 1]" 3
25 1 13 C N3 1 19 G N1 2.950 2.750 3.150 2.961 2.884 3.040 . 0 0 "[ . 1]" 3
26 1 13 C N3 1 19 G H1 1.890 . 2.090 1.972 1.921 2.028 . 0 0 "[ . 1]" 3
27 1 13 C O2 1 19 G H22 2.080 . 2.280 1.858 1.816 1.974 0.064 10 0 "[ . 1]" 3
28 1 13 C O2 1 19 G N2 3.080 2.880 3.280 2.860 2.824 2.978 0.056 10 0 "[ . 1]" 3
29 1 13 C H42 1 19 G O6 1.710 . 1.910 1.964 1.941 1.990 0.080 1 0 "[ . 1]" 3
30 1 13 C N4 1 19 G O6 2.720 2.520 2.920 2.951 2.889 2.986 0.066 1 0 "[ . 1]" 3
31 1 2 A N1 1 31 U N3 2.950 2.750 3.150 2.886 2.782 3.098 . 0 0 "[ . 1]" 3
32 1 2 A N1 1 31 U H3 1.930 . 2.130 1.924 1.825 2.129 . 0 0 "[ . 1]" 3
33 1 2 A H62 1 31 U O4 1.800 . 2.000 2.046 1.979 2.084 0.084 4 0 "[ . 1]" 3
34 1 2 A N6 1 31 U O4 2.830 2.630 3.030 2.997 2.880 3.036 0.006 4 0 "[ . 1]" 3
35 1 5 A N1 1 28 U N3 2.950 2.750 3.150 2.853 2.788 2.946 . 0 0 "[ . 1]" 3
36 1 5 A N1 1 28 U H3 1.930 . 2.130 1.872 1.808 1.956 . 0 0 "[ . 1]" 3
37 1 5 A H62 1 28 U O4 1.800 . 2.000 2.060 2.037 2.088 0.088 1 0 "[ . 1]" 3
38 1 5 A N6 1 28 U O4 2.830 2.630 3.030 3.062 3.032 3.096 0.066 1 0 "[ . 1]" 3
39 1 6 U N3 1 27 A N1 2.950 2.750 3.150 2.821 2.771 2.881 . 0 0 "[ . 1]" 3
40 1 6 U H3 1 27 A N1 1.930 . 2.130 1.816 1.761 1.880 . 0 0 "[ . 1]" 3
41 1 6 U O4 1 27 A H62 1.800 . 2.000 2.047 2.024 2.057 0.057 7 0 "[ . 1]" 3
42 1 6 U O4 1 27 A N6 2.830 2.630 3.030 3.051 3.027 3.064 0.034 7 0 "[ . 1]" 3
43 1 7 A N1 1 26 U N3 2.950 2.750 3.150 2.863 2.727 3.026 0.023 3 0 "[ . 1]" 3
44 1 7 A N1 1 26 U H3 1.930 . 2.130 1.880 1.748 2.032 . 0 0 "[ . 1]" 3
45 1 7 A H62 1 26 U O4 1.800 . 2.000 2.029 1.980 2.063 0.063 3 0 "[ . 1]" 3
46 1 7 A N6 1 26 U O4 2.830 2.630 3.030 3.019 2.943 3.066 0.036 3 0 "[ . 1]" 3
47 1 8 U N3 1 25 A N1 2.950 2.750 3.150 2.899 2.790 3.012 . 0 0 "[ . 1]" 3
48 1 8 U H3 1 25 A N1 1.930 . 2.130 1.908 1.804 2.010 . 0 0 "[ . 1]" 3
49 1 8 U O4 1 25 A H62 1.800 . 2.000 1.882 1.729 2.014 0.014 7 0 "[ . 1]" 3
50 1 8 U O4 1 25 A N6 2.830 2.630 3.030 2.880 2.710 3.014 . 0 0 "[ . 1]" 3
51 1 10 G N1 1 22 U O2 2.770 2.570 2.970 2.900 2.861 2.962 . 0 0 "[ . 1]" 3
52 1 10 G H1 1 22 U O2 1.770 . 1.970 1.990 1.946 2.039 0.069 4 0 "[ . 1]" 3
53 1 10 G N2 1 22 U N3 4.560 4.360 4.760 4.594 4.545 4.713 . 0 0 "[ . 1]" 3
54 1 10 G N2 1 22 U H3 3.890 3.690 4.090 4.182 4.138 4.224 0.134 10 0 "[ . 1]" 3
55 1 11 A N1 1 21 G H1 1.890 . 1.990 1.907 1.800 1.981 . 0 0 "[ . 1]" 3
56 1 11 A N1 1 21 G N1 2.850 2.750 2.950 2.896 2.805 2.979 0.029 8 0 "[ . 1]" 3
57 1 11 A H62 1 21 G O6 1.840 . 1.940 1.930 1.843 1.972 0.032 5 0 "[ . 1]" 3
58 1 11 A N6 1 21 G O6 2.850 2.750 2.950 2.926 2.846 2.976 0.026 5 0 "[ . 1]" 3
59 1 12 G H1 1 20 A N1 1.890 . 1.990 1.846 1.783 1.887 0.007 8 0 "[ . 1]" 3
60 1 12 G N1 1 20 A N1 2.850 2.750 2.950 2.814 2.769 2.878 . 0 0 "[ . 1]" 3
61 1 12 G O6 1 20 A H62 1.840 . 1.940 1.831 1.751 1.982 0.042 2 0 "[ . 1]" 3
62 1 12 G O6 1 20 A N6 2.850 2.750 2.950 2.815 2.750 2.959 0.009 2 0 "[ . 1]" 3
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