NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
532301 |
2lk3   |
17972 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lk3
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 251
_Distance_constraint_stats_list.Viol_count 197
_Distance_constraint_stats_list.Viol_total 551.390
_Distance_constraint_stats_list.Viol_max 1.214
_Distance_constraint_stats_list.Viol_rms 0.1086
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0220
_Distance_constraint_stats_list.Viol_average_violations_only 0.2799
_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 0.324 0.059 3 0 "[ . 1]"
1 2 G 4.182 0.335 8 0 "[ . 1]"
1 3 C 2.762 0.266 5 0 "[ . 1]"
1 4 U 8.319 0.582 4 2 "[ +.- 1]"
1 5 U 14.648 1.107 6 10 [*****+****]
1 6 A 13.806 1.214 8 10 [***-***+**]
1 7 G 14.495 1.214 8 10 [*******+**]
1 8 A 0.000 0.000 . 0 "[ . 1]"
1 9 U 3.355 0.381 10 0 "[ . 1]"
1 10 C 4.277 0.431 6 0 "[ . 1]"
1 11 A 1.951 0.243 10 0 "[ . 1]"
1 12 G 2.919 0.243 10 0 "[ . 1]"
1 13 A 0.313 0.046 1 0 "[ . 1]"
1 14 A 3.327 0.352 1 0 "[ . 1]"
1 15 A 0.000 0.000 . 0 "[ . 1]"
1 16 U 3.010 0.352 1 0 "[ . 1]"
1 17 G 7.632 0.431 6 0 "[ . 1]"
1 18 A 0.000 0.000 . 0 "[ . 1]"
1 19 U 0.000 0.000 . 0 "[ . 1]"
1 20 C 0.006 0.006 4 0 "[ . 1]"
1 21 A 6.353 0.513 7 2 "[ . +- 1]"
1 22 G 16.206 1.107 6 10 [*****+**-*]
1 23 C 0.711 0.132 7 0 "[ . 1]"
1 24 C 0.711 0.132 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 H1' 1 1 G H8 4.000 . 4.800 3.716 3.708 3.719 . 0 0 "[ . 1]" 1
2 1 1 G H2' 1 1 G H8 4.500 . 5.400 3.626 3.606 3.646 . 0 0 "[ . 1]" 1
3 1 1 G H3' 1 1 G H8 3.500 . 4.200 3.896 3.867 3.927 . 0 0 "[ . 1]" 1
4 1 1 G H1' 1 1 G H3' 4.000 . 4.800 3.919 3.917 3.921 . 0 0 "[ . 1]" 1
5 1 2 G H1' 1 2 G H8 4.000 . 4.800 3.787 3.777 3.804 . 0 0 "[ . 1]" 1
6 1 2 G H2' 1 2 G H8 4.500 . 5.400 3.642 3.604 3.659 . 0 0 "[ . 1]" 1
7 1 2 G H3' 1 2 G H8 3.500 . 4.200 2.883 2.740 2.961 . 0 0 "[ . 1]" 1
8 1 2 G H1' 1 2 G H3' 4.000 . 4.800 3.874 3.872 3.878 . 0 0 "[ . 1]" 1
9 1 1 G H2' 1 2 G H8 2.000 . 2.400 2.279 2.238 2.392 . 0 0 "[ . 1]" 1
10 1 1 G H1' 1 2 G H8 4.500 . 5.400 4.760 4.682 4.898 . 0 0 "[ . 1]" 1
11 1 1 G H21 1 2 G H1 4.500 . 5.400 5.422 5.343 5.459 0.059 3 0 "[ . 1]" 1
12 1 1 G H22 1 2 G H1 4.500 . 5.400 4.311 4.233 4.348 . 0 0 "[ . 1]" 1
13 1 1 G H3' 1 2 G H8 3.500 . 4.300 4.074 4.054 4.104 . 0 0 "[ . 1]" 1
14 1 1 G H8 1 2 G H8 5.000 . 6.000 5.647 5.579 5.800 . 0 0 "[ . 1]" 1
15 1 1 G H2' 1 2 G H1' 4.500 . 5.400 5.170 5.103 5.211 . 0 0 "[ . 1]" 1
16 1 1 G H1' 1 2 G H1' 6.000 3.000 7.000 5.848 5.803 5.881 . 0 0 "[ . 1]" 1
17 1 3 C H1' 1 3 C H6 4.000 . 4.800 3.579 3.576 3.583 . 0 0 "[ . 1]" 1
18 1 3 C H2' 1 3 C H6 4.500 . 5.400 3.580 3.564 3.590 . 0 0 "[ . 1]" 1
19 1 3 C H3' 1 3 C H6 3.500 . 4.200 3.188 3.170 3.216 . 0 0 "[ . 1]" 1
20 1 3 C H2' 1 3 C H5' 6.000 3.000 7.000 5.312 5.305 5.315 . 0 0 "[ . 1]" 1
21 1 2 G H2' 1 3 C H6 2.000 . 2.400 2.112 2.099 2.135 . 0 0 "[ . 1]" 1
22 1 2 G H1' 1 3 C H6 4.500 . 5.400 4.730 4.706 4.746 . 0 0 "[ . 1]" 1
23 1 2 G H8 1 3 C H6 5.000 . 6.000 4.373 4.267 4.446 . 0 0 "[ . 1]" 1
24 1 2 G H1' 1 3 C H5 5.000 . 6.000 5.606 5.599 5.629 . 0 0 "[ . 1]" 1
25 1 2 G H2' 1 3 C H5 3.500 . 4.200 3.795 3.752 3.847 . 0 0 "[ . 1]" 1
26 1 2 G H3' 1 3 C H5 3.500 . 4.200 4.405 4.356 4.443 0.243 9 0 "[ . 1]" 1
27 1 2 G H3' 1 3 C H6 3.500 . 4.200 3.507 3.459 3.547 . 0 0 "[ . 1]" 1
28 1 2 G H8 1 3 C H5 4.000 . 4.800 3.748 3.675 3.798 . 0 0 "[ . 1]" 1
29 1 2 G H2' 1 3 C H1' 4.500 . 5.400 4.166 4.098 4.220 . 0 0 "[ . 1]" 1
30 1 2 G H1' 1 3 C H1' 6.000 3.000 7.000 5.767 5.676 5.836 . 0 0 "[ . 1]" 1
31 1 4 U H1' 1 4 U H6 4.000 . 4.800 3.673 3.601 3.700 . 0 0 "[ . 1]" 1
32 1 4 U H2' 1 4 U H6 4.000 . 4.900 2.958 2.600 3.746 . 0 0 "[ . 1]" 1
33 1 4 U H3' 1 4 U H6 3.500 . 5.000 3.733 2.281 4.342 . 0 0 "[ . 1]" 1
34 1 3 C H2' 1 4 U H6 2.000 . 2.400 2.137 2.062 2.291 . 0 0 "[ . 1]" 1
35 1 3 C H1' 1 4 U H6 4.500 . 5.400 4.891 4.864 4.930 . 0 0 "[ . 1]" 1
36 1 3 C H2' 1 4 U H1' 4.500 . 5.400 4.771 4.530 5.239 . 0 0 "[ . 1]" 1
37 1 3 C H2' 1 4 U H5 3.500 . 4.200 3.201 2.762 3.439 . 0 0 "[ . 1]" 1
38 1 3 C H5 1 4 U H5 4.000 . 4.800 4.572 4.274 5.066 0.266 5 0 "[ . 1]" 1
39 1 3 C H6 1 4 U H5 4.000 . 4.800 4.514 4.406 4.678 . 0 0 "[ . 1]" 1
40 1 3 C H6 1 4 U H6 5.000 . 6.000 5.219 4.983 5.669 . 0 0 "[ . 1]" 1
41 1 3 C H1' 1 4 U H5 6.000 3.000 7.000 5.649 5.426 5.756 . 0 0 "[ . 1]" 1
42 1 5 U H1' 1 5 U H6 4.500 . 5.400 3.690 3.549 3.727 . 0 0 "[ . 1]" 1
43 1 5 U H2' 1 5 U H6 4.500 . 5.400 2.536 2.114 3.898 . 0 0 "[ . 1]" 1
44 1 4 U H1' 1 5 U H3' 6.000 3.000 8.000 7.018 6.414 7.434 . 0 0 "[ . 1]" 1
45 1 4 U H1' 1 5 U H4' 5.000 . 7.000 7.227 6.530 7.582 0.582 4 2 "[ +.- 1]" 1
46 1 6 A H1' 1 6 A H8 4.500 . 5.400 3.749 3.731 3.781 . 0 0 "[ . 1]" 1
47 1 6 A H2' 1 6 A H8 4.500 . 5.400 3.785 3.736 3.850 . 0 0 "[ . 1]" 1
48 1 5 U H1' 1 6 A H8 6.000 3.000 7.000 3.369 2.831 5.331 0.169 5 0 "[ . 1]" 1
49 1 5 U H2' 1 6 A H8 4.500 . 5.400 2.873 2.678 3.506 . 0 0 "[ . 1]" 1
50 1 5 U H3' 1 6 A H8 4.500 . 5.400 4.164 2.521 4.635 . 0 0 "[ . 1]" 1
51 1 5 U H3 1 6 A H61 4.500 . 5.400 5.339 4.811 5.951 0.551 4 1 "[ +. 1]" 1
52 1 7 G H1' 1 7 G H8 4.000 . 4.800 3.719 3.694 3.734 . 0 0 "[ . 1]" 1
53 1 7 G H2' 1 7 G H8 4.500 . 5.400 3.907 3.861 3.977 . 0 0 "[ . 1]" 1
54 1 7 G H3' 1 7 G H8 3.500 . 4.200 3.058 2.996 3.152 . 0 0 "[ . 1]" 1
55 1 6 A H1' 1 7 G H8 5.500 2.500 7.500 4.952 4.709 5.109 . 0 0 "[ . 1]" 1
56 1 6 A H2' 1 7 G H8 4.500 . 5.400 2.281 2.254 2.364 . 0 0 "[ . 1]" 1
57 1 6 A H3' 1 7 G H8 4.500 . 5.400 3.260 2.654 3.575 . 0 0 "[ . 1]" 1
58 1 6 A H8 1 7 G H8 5.000 3.000 7.000 4.420 3.402 4.930 . 0 0 "[ . 1]" 1
59 1 6 A H1' 1 7 G H5' 4.500 . 5.400 4.743 4.552 5.185 . 0 0 "[ . 1]" 1
60 1 6 A H1' 1 7 G H2' 5.000 . 7.000 8.045 7.932 8.214 1.214 8 10 [**-****+**] 1
61 1 6 A H1' 1 7 G H1' 6.000 3.000 8.000 6.120 5.898 6.474 . 0 0 "[ . 1]" 1
62 1 8 A H1' 1 8 A H8 4.000 . 4.800 3.729 3.722 3.735 . 0 0 "[ . 1]" 1
63 1 8 A H2' 1 8 A H8 4.500 . 5.400 3.945 3.921 3.982 . 0 0 "[ . 1]" 1
64 1 8 A H3' 1 8 A H8 3.500 . 4.200 3.040 3.019 3.068 . 0 0 "[ . 1]" 1
65 1 7 G H2' 1 8 A H8 2.000 . 2.400 2.085 2.061 2.103 . 0 0 "[ . 1]" 1
66 1 7 G H1' 1 8 A H8 4.500 . 5.400 4.761 4.738 4.779 . 0 0 "[ . 1]" 1
67 1 7 G H8 1 8 A H8 5.000 . 6.000 4.820 4.783 4.867 . 0 0 "[ . 1]" 1
68 1 7 G H1 1 8 A H2 4.500 . 5.400 4.681 4.644 4.703 . 0 0 "[ . 1]" 1
69 1 9 U H1' 1 9 U H6 4.000 . 4.800 3.590 3.588 3.591 . 0 0 "[ . 1]" 1
70 1 9 U H2' 1 9 U H6 4.500 . 5.400 3.712 3.702 3.718 . 0 0 "[ . 1]" 1
71 1 9 U H3' 1 9 U H6 3.500 . 4.200 2.562 2.535 2.576 . 0 0 "[ . 1]" 1
72 1 9 U H1' 1 9 U H5 6.000 3.000 7.000 5.337 5.335 5.338 . 0 0 "[ . 1]" 1
73 1 9 U H5 1 9 U H5' 6.000 3.000 7.000 5.721 5.701 5.750 . 0 0 "[ . 1]" 1
74 1 8 A H2' 1 9 U H6 2.000 . 2.400 2.159 2.145 2.177 . 0 0 "[ . 1]" 1
75 1 8 A H1' 1 9 U H6 4.500 . 5.400 4.928 4.918 4.937 . 0 0 "[ . 1]" 1
76 1 8 A H2 1 9 U H1' 5.000 . 6.000 4.087 4.051 4.132 . 0 0 "[ . 1]" 1
77 1 8 A H2' 1 9 U H5 3.500 . 4.200 3.479 3.456 3.498 . 0 0 "[ . 1]" 1
78 1 8 A H8 1 9 U H5 5.000 . 6.000 4.269 4.197 4.323 . 0 0 "[ . 1]" 1
79 1 8 A H8 1 9 U H6 5.000 . 6.000 5.159 5.135 5.180 . 0 0 "[ . 1]" 1
80 1 8 A H2 1 9 U H3 4.500 . 5.400 4.470 4.377 4.530 . 0 0 "[ . 1]" 1
81 1 8 A H62 1 9 U H3 5.500 2.500 6.500 4.817 4.683 4.925 . 0 0 "[ . 1]" 1
82 1 8 A H61 1 9 U H3 5.500 2.500 6.500 4.108 3.943 4.231 . 0 0 "[ . 1]" 1
83 1 8 A H1' 1 9 U H1' 5.500 2.500 6.500 5.846 5.794 5.903 . 0 0 "[ . 1]" 1
84 1 10 C H1' 1 10 C H6 4.000 . 4.800 3.563 3.561 3.567 . 0 0 "[ . 1]" 1
85 1 10 C H2' 1 10 C H6 4.500 . 5.400 3.725 3.717 3.734 . 0 0 "[ . 1]" 1
86 1 10 C H3' 1 10 C H6 3.500 . 4.200 2.940 2.910 2.961 . 0 0 "[ . 1]" 1
87 1 10 C H4' 1 10 C H6 4.500 . 5.400 4.152 4.130 4.167 . 0 0 "[ . 1]" 1
88 1 9 U H2' 1 10 C H6 2.000 . 2.400 2.175 2.169 2.179 . 0 0 "[ . 1]" 1
89 1 9 U H1' 1 10 C H6 4.500 . 5.400 4.796 4.783 4.806 . 0 0 "[ . 1]" 1
90 1 9 U H5 1 10 C H5 4.000 . 4.800 3.634 3.546 3.736 . 0 0 "[ . 1]" 1
91 1 9 U H6 1 10 C H5 5.000 . 6.000 4.137 4.064 4.217 . 0 0 "[ . 1]" 1
92 1 9 U H3 1 10 C H1' 5.500 2.500 6.500 5.227 5.169 5.294 . 0 0 "[ . 1]" 1
93 1 9 U H3 1 10 C H42 4.500 . 5.400 4.181 4.160 4.210 . 0 0 "[ . 1]" 1
94 1 9 U H3 1 10 C H41 4.500 . 5.400 4.251 4.219 4.276 . 0 0 "[ . 1]" 1
95 1 11 A H1' 1 11 A H8 4.000 . 4.800 3.775 3.773 3.778 . 0 0 "[ . 1]" 1
96 1 11 A H2' 1 11 A H8 4.500 . 5.400 3.734 3.714 3.754 . 0 0 "[ . 1]" 1
97 1 11 A H3' 1 11 A H8 3.500 . 4.200 3.005 2.954 3.051 . 0 0 "[ . 1]" 1
98 1 11 A H1' 1 11 A H2 6.000 3.000 7.900 4.647 4.643 4.650 . 0 0 "[ . 1]" 1
99 1 10 C H2' 1 11 A H8 2.000 . 2.400 2.229 2.211 2.245 . 0 0 "[ . 1]" 1
100 1 10 C H1' 1 11 A H8 4.500 . 5.400 4.866 4.849 4.877 . 0 0 "[ . 1]" 1
101 1 10 C H5 1 11 A H8 5.000 . 6.900 5.029 4.937 5.096 . 0 0 "[ . 1]" 1
102 1 10 C H6 1 11 A H8 5.000 . 6.900 4.412 4.336 4.470 . 0 0 "[ . 1]" 1
103 1 12 G H1' 1 12 G H8 3.500 . 4.000 3.705 3.673 3.736 . 0 0 "[ . 1]" 1
104 1 12 G H2' 1 12 G H8 3.500 . 4.000 4.007 3.905 4.114 0.114 6 0 "[ . 1]" 1
105 1 12 G H3' 1 12 G H8 2.500 . 3.000 2.975 2.857 3.096 0.096 6 0 "[ . 1]" 1
106 1 12 G H1 1 12 G H2' 5.500 2.500 7.400 5.901 5.803 5.996 . 0 0 "[ . 1]" 1
107 1 11 A H1' 1 12 G H8 4.000 2.500 5.000 5.061 4.942 5.163 0.163 6 0 "[ . 1]" 1
108 1 11 A H2' 1 12 G H8 2.500 . 3.000 2.551 2.252 2.906 . 0 0 "[ . 1]" 1
109 1 11 A H3' 1 12 G H8 2.500 . 3.000 3.088 2.906 3.243 0.243 10 0 "[ . 1]" 1
110 1 11 A H2 1 12 G H1' 5.000 . 6.900 4.843 4.551 5.118 . 0 0 "[ . 1]" 1
111 1 11 A H8 1 12 G H8 4.500 . 5.400 3.939 3.531 4.296 . 0 0 "[ . 1]" 1
112 1 13 A H1' 1 13 A H8 4.500 3.000 5.000 3.734 3.723 3.738 . 0 0 "[ . 1]" 1
113 1 13 A H2' 1 13 A H8 3.500 . 4.000 3.966 3.953 3.994 . 0 0 "[ . 1]" 1
114 1 13 A H3' 1 13 A H8 4.500 2.500 5.000 2.900 2.884 2.947 . 0 0 "[ . 1]" 1
115 1 12 G H2' 1 13 A H8 4.500 3.000 5.000 3.408 3.329 3.554 . 0 0 "[ . 1]" 1
116 1 14 A H1' 1 14 A H8 4.500 3.000 5.000 3.738 3.736 3.739 . 0 0 "[ . 1]" 1
117 1 14 A H2' 1 14 A H8 3.500 . 4.000 3.995 3.987 4.003 0.003 3 0 "[ . 1]" 1
118 1 14 A H3' 1 14 A H8 3.500 . 4.000 2.787 2.779 2.792 . 0 0 "[ . 1]" 1
119 1 13 A H2' 1 14 A H8 2.500 . 3.000 2.214 2.208 2.222 . 0 0 "[ . 1]" 1
120 1 13 A H2 1 14 A H1' 5.500 2.500 7.400 3.526 3.437 3.578 . 0 0 "[ . 1]" 1
121 1 13 A H3' 1 14 A H8 2.500 . 3.000 2.860 2.813 2.904 . 0 0 "[ . 1]" 1
122 1 13 A H8 1 14 A H8 5.000 . 6.900 4.769 4.727 4.849 . 0 0 "[ . 1]" 1
123 1 13 A H1' 1 14 A H1' 5.500 2.500 7.400 5.424 5.378 5.461 . 0 0 "[ . 1]" 1
124 1 13 A H2 1 14 A H2 4.500 3.000 5.000 5.029 4.973 5.046 0.046 1 0 "[ . 1]" 1
125 1 15 A H1' 1 15 A H8 4.500 3.000 5.000 3.754 3.752 3.756 . 0 0 "[ . 1]" 1
126 1 15 A H2' 1 15 A H8 3.500 . 4.000 3.947 3.937 3.956 . 0 0 "[ . 1]" 1
127 1 15 A H3' 1 15 A H8 3.500 . 4.000 2.711 2.705 2.722 . 0 0 "[ . 1]" 1
128 1 15 A H4' 1 15 A H8 4.500 3.000 5.000 4.183 4.176 4.188 . 0 0 "[ . 1]" 1
129 1 15 A H5' 1 15 A H8 3.500 . 4.000 3.558 3.540 3.572 . 0 0 "[ . 1]" 1
130 1 14 A H2' 1 15 A H8 2.500 . 3.000 2.232 2.215 2.249 . 0 0 "[ . 1]" 1
131 1 14 A H1' 1 15 A H8 4.500 2.500 5.000 4.780 4.770 4.795 . 0 0 "[ . 1]" 1
132 1 14 A H2 1 15 A H1' 4.500 2.500 5.000 2.690 2.571 2.830 . 0 0 "[ . 1]" 1
133 1 14 A H2' 1 15 A H1' 4.500 . 5.400 3.376 3.328 3.419 . 0 0 "[ . 1]" 1
134 1 14 A H2 1 15 A H2 4.500 . 5.400 4.162 4.022 4.240 . 0 0 "[ . 1]" 1
135 1 14 A H8 1 15 A H8 5.000 . 6.900 4.382 4.321 4.473 . 0 0 "[ . 1]" 1
136 1 16 U H1' 1 16 U H6 4.000 . 4.900 3.554 3.551 3.559 . 0 0 "[ . 1]" 1
137 1 16 U H2' 1 16 U H6 3.500 . 4.200 3.885 3.872 3.899 . 0 0 "[ . 1]" 1
138 1 16 U H3' 1 16 U H6 3.500 . 4.200 2.711 2.691 2.731 . 0 0 "[ . 1]" 1
139 1 16 U H5'' 1 16 U H6 4.500 . 5.400 3.618 3.547 3.678 . 0 0 "[ . 1]" 1
140 1 15 A H1' 1 16 U H6 4.500 3.000 5.000 4.736 4.725 4.743 . 0 0 "[ . 1]" 1
141 1 15 A H2' 1 16 U H6 3.500 . 4.000 2.222 2.213 2.231 . 0 0 "[ . 1]" 1
142 1 15 A H3' 1 16 U H6 3.500 . 4.000 2.344 2.289 2.379 . 0 0 "[ . 1]" 1
143 1 15 A H8 1 16 U H5 5.000 . 6.900 3.566 3.475 3.647 . 0 0 "[ . 1]" 1
144 1 15 A H8 1 16 U H6 4.500 3.000 5.000 4.121 4.064 4.161 . 0 0 "[ . 1]" 1
145 1 15 A H3' 1 16 U H5 4.000 2.200 4.700 2.726 2.654 2.775 . 0 0 "[ . 1]" 1
146 1 15 A H1' 1 16 U H1' 5.500 2.500 7.400 4.902 4.817 5.029 . 0 0 "[ . 1]" 1
147 1 15 A H2 1 16 U H6 5.000 . 6.900 5.934 5.896 5.976 . 0 0 "[ . 1]" 1
148 1 17 G H1' 1 17 G H8 4.000 . 4.800 3.730 3.723 3.734 . 0 0 "[ . 1]" 1
149 1 17 G H2' 1 17 G H8 4.500 . 5.400 3.908 3.890 3.936 . 0 0 "[ . 1]" 1
150 1 17 G H3' 1 17 G H8 3.500 . 4.200 2.934 2.911 2.963 . 0 0 "[ . 1]" 1
151 1 17 G H5' 1 17 G H8 4.500 . 5.400 3.738 3.713 3.763 . 0 0 "[ . 1]" 1
152 1 16 U H2' 1 17 G H8 2.000 . 2.400 2.264 2.252 2.276 . 0 0 "[ . 1]" 1
153 1 16 U H1' 1 17 G H8 4.500 . 5.400 4.835 4.805 4.864 . 0 0 "[ . 1]" 1
154 1 16 U H3 1 17 G H22 5.500 2.500 6.500 5.869 5.835 5.888 . 0 0 "[ . 1]" 1
155 1 16 U H6 1 17 G H8 5.000 . 6.000 4.684 4.607 4.755 . 0 0 "[ . 1]" 1
156 1 18 A H1' 1 18 A H8 4.000 . 4.800 3.727 3.719 3.735 . 0 0 "[ . 1]" 1
157 1 18 A H2' 1 18 A H8 4.500 . 5.400 3.938 3.917 3.944 . 0 0 "[ . 1]" 1
158 1 18 A H3' 1 18 A H8 3.500 . 4.200 3.030 3.001 3.079 . 0 0 "[ . 1]" 1
159 1 18 A H1' 1 18 A H2 6.000 3.000 7.000 4.733 4.720 4.744 . 0 0 "[ . 1]" 1
160 1 18 A H4' 1 18 A H8 4.500 . 5.400 4.443 4.427 4.459 . 0 0 "[ . 1]" 1
161 1 17 G H2' 1 18 A H8 2.000 . 2.400 2.148 2.137 2.159 . 0 0 "[ . 1]" 1
162 1 17 G H1' 1 18 A H8 4.500 . 5.400 4.719 4.698 4.747 . 0 0 "[ . 1]" 1
163 1 19 U H1' 1 19 U H6 4.000 . 4.800 3.577 3.574 3.578 . 0 0 "[ . 1]" 1
164 1 19 U H2' 1 19 U H6 4.500 . 5.400 3.723 3.704 3.737 . 0 0 "[ . 1]" 1
165 1 19 U H3' 1 19 U H6 3.500 . 4.200 2.737 2.714 2.755 . 0 0 "[ . 1]" 1
166 1 19 U H1' 1 19 U H5 4.500 . 5.400 5.325 5.323 5.327 . 0 0 "[ . 1]" 1
167 1 19 U H3' 1 19 U H5 5.500 2.500 6.500 4.620 4.584 4.653 . 0 0 "[ . 1]" 1
168 1 18 A H2' 1 19 U H6 2.000 . 2.400 2.183 2.174 2.191 . 0 0 "[ . 1]" 1
169 1 18 A H1' 1 19 U H6 4.500 . 5.400 4.864 4.855 4.871 . 0 0 "[ . 1]" 1
170 1 18 A H8 1 19 U H5 5.000 . 6.000 4.108 4.044 4.153 . 0 0 "[ . 1]" 1
171 1 18 A H8 1 19 U H6 5.000 . 6.000 4.794 4.725 4.848 . 0 0 "[ . 1]" 1
172 1 18 A H2 1 19 U H3 4.500 . 5.400 4.549 4.493 4.615 . 0 0 "[ . 1]" 1
173 1 20 C H1' 1 20 C H6 4.000 . 4.800 3.575 3.573 3.577 . 0 0 "[ . 1]" 1
174 1 20 C H2' 1 20 C H6 4.500 . 5.400 3.655 3.631 3.672 . 0 0 "[ . 1]" 1
175 1 20 C H3' 1 20 C H6 3.500 . 4.200 2.835 2.800 2.881 . 0 0 "[ . 1]" 1
176 1 20 C H4' 1 20 C H6 4.500 . 5.400 4.202 4.182 4.224 . 0 0 "[ . 1]" 1
177 1 20 C H5' 1 20 C H6 4.500 . 5.400 3.825 3.791 3.857 . 0 0 "[ . 1]" 1
178 1 19 U H2' 1 20 C H6 2.000 . 2.400 2.246 2.226 2.277 . 0 0 "[ . 1]" 1
179 1 19 U H1' 1 20 C H6 4.500 . 5.400 4.879 4.853 4.912 . 0 0 "[ . 1]" 1
180 1 19 U H5 1 20 C H5 4.000 . 4.800 3.654 3.617 3.702 . 0 0 "[ . 1]" 1
181 1 19 U H6 1 20 C H5 5.000 . 6.000 4.207 4.173 4.249 . 0 0 "[ . 1]" 1
182 1 19 U H6 1 20 C H6 5.000 . 6.000 4.687 4.657 4.714 . 0 0 "[ . 1]" 1
183 1 19 U H3 1 20 C H42 4.500 . 5.400 4.233 4.122 4.395 . 0 0 "[ . 1]" 1
184 1 19 U H3 1 20 C H41 4.500 . 5.400 4.329 4.224 4.490 . 0 0 "[ . 1]" 1
185 1 21 A H1' 1 21 A H8 4.000 . 4.800 3.760 3.753 3.771 . 0 0 "[ . 1]" 1
186 1 21 A H2' 1 21 A H8 4.500 . 5.400 3.878 3.842 3.891 . 0 0 "[ . 1]" 1
187 1 21 A H3' 1 21 A H8 3.500 . 4.200 2.834 2.808 2.878 . 0 0 "[ . 1]" 1
188 1 21 A H4' 1 21 A H8 4.500 . 5.400 4.261 4.239 4.287 . 0 0 "[ . 1]" 1
189 1 21 A H5' 1 21 A H8 4.500 . 5.400 3.604 3.556 3.644 . 0 0 "[ . 1]" 1
190 1 20 C H6 1 21 A H8 6.000 3.000 7.000 3.707 3.634 3.771 . 0 0 "[ . 1]" 1
191 1 20 C H1' 1 21 A H8 5.000 . 6.000 4.813 4.782 4.859 . 0 0 "[ . 1]" 1
192 1 20 C H2' 1 21 A H8 4.500 . 5.400 2.276 2.272 2.282 . 0 0 "[ . 1]" 1
193 1 22 G H1' 1 22 G H8 4.000 . 4.800 3.758 3.753 3.766 . 0 0 "[ . 1]" 1
194 1 22 G H2' 1 22 G H8 4.500 . 5.400 3.816 3.806 3.831 . 0 0 "[ . 1]" 1
195 1 22 G H3' 1 22 G H8 3.500 . 4.200 2.870 2.806 2.912 . 0 0 "[ . 1]" 1
196 1 22 G H5' 1 22 G H8 4.500 . 5.400 3.831 3.749 3.885 . 0 0 "[ . 1]" 1
197 1 21 A H2' 1 22 G H8 2.000 . 2.400 2.468 2.418 2.547 0.147 7 0 "[ . 1]" 1
198 1 21 A H1' 1 22 G H8 4.500 . 5.400 5.140 5.051 5.265 . 0 0 "[ . 1]" 1
199 1 21 A H2 1 22 G H1' 5.000 . 6.000 3.959 3.747 4.338 . 0 0 "[ . 1]" 1
200 1 21 A H8 1 22 G H8 5.000 . 6.000 4.867 4.810 4.940 . 0 0 "[ . 1]" 1
201 1 21 A H62 1 22 G H1 5.500 2.500 6.500 5.165 5.129 5.264 . 0 0 "[ . 1]" 1
202 1 23 C H1' 1 23 C H6 4.000 . 4.800 3.581 3.573 3.587 . 0 0 "[ . 1]" 1
203 1 23 C H2' 1 23 C H6 4.500 . 5.400 3.656 3.622 3.709 . 0 0 "[ . 1]" 1
204 1 23 C H3' 1 23 C H6 3.500 . 4.200 2.872 2.860 2.887 . 0 0 "[ . 1]" 1
205 1 22 G H2' 1 23 C H6 2.000 . 2.400 2.233 2.213 2.266 . 0 0 "[ . 1]" 1
206 1 22 G H1' 1 23 C H6 4.500 . 5.400 4.934 4.915 4.970 . 0 0 "[ . 1]" 1
207 1 22 G H1' 1 23 C H5 5.500 2.500 6.500 5.769 5.709 5.889 . 0 0 "[ . 1]" 1
208 1 22 G H8 1 23 C H5 5.000 . 6.000 4.150 4.078 4.282 . 0 0 "[ . 1]" 1
209 1 22 G H8 1 23 C H6 6.000 3.000 7.000 4.858 4.806 4.920 . 0 0 "[ . 1]" 1
210 1 24 C H1' 1 24 C H6 4.000 . 4.800 3.658 3.653 3.670 . 0 0 "[ . 1]" 1
211 1 24 C H2' 1 24 C H6 4.500 . 5.400 3.252 3.212 3.282 . 0 0 "[ . 1]" 1
212 1 24 C H3' 1 24 C H6 3.500 . 4.200 2.784 2.685 2.845 . 0 0 "[ . 1]" 1
213 1 23 C H2' 1 24 C H6 2.000 . 2.400 2.471 2.432 2.532 0.132 7 0 "[ . 1]" 1
214 1 23 C H1' 1 24 C H6 4.500 . 5.400 5.209 5.179 5.258 . 0 0 "[ . 1]" 1
215 1 23 C H5 1 24 C H5 4.000 . 4.800 4.073 4.028 4.160 . 0 0 "[ . 1]" 1
216 1 23 C H5 1 24 C H6 5.000 . 6.000 5.726 5.685 5.807 . 0 0 "[ . 1]" 1
217 1 23 C H6 1 24 C H6 5.000 . 6.000 5.092 5.046 5.190 . 0 0 "[ . 1]" 1
218 1 23 C H2' 1 24 C H5 4.500 . 5.400 3.793 3.751 3.851 . 0 0 "[ . 1]" 1
219 1 8 A H2 1 20 C H1' 5.000 . 6.900 3.322 3.219 3.387 . 0 0 "[ . 1]" 1
220 1 11 A H2 1 17 G H1' 5.000 . 6.900 4.165 4.107 4.223 . 0 0 "[ . 1]" 1
221 1 14 A H2 1 16 U H5 6.000 3.000 7.900 8.201 8.155 8.252 0.352 1 0 "[ . 1]" 1
222 1 12 G H1' 1 14 A H8 6.000 3.000 7.900 5.020 4.915 5.138 . 0 0 "[ . 1]" 1
223 1 10 C H1' 1 18 A H2 5.000 . 6.900 3.821 3.769 3.879 . 0 0 "[ . 1]" 1
224 1 4 U H1' 1 21 A H2 6.000 3.000 7.900 5.199 5.077 5.296 . 0 0 "[ . 1]" 1
225 1 7 G H1' 1 21 A H2 6.000 3.000 7.900 8.304 8.194 8.413 0.513 7 2 "[ . +- 1]" 1
226 1 6 A H2 1 21 A H2 5.000 . 6.900 6.808 6.236 6.952 0.052 2 0 "[ . 1]" 1
227 1 6 A H8 1 21 A H2 5.000 . 6.900 6.995 6.689 7.176 0.276 4 0 "[ . 1]" 1
228 1 5 U H6 1 21 A H2 6.000 3.000 7.900 6.279 5.374 7.316 . 0 0 "[ . 1]" 1
229 1 11 A H2 1 15 A H2 6.000 3.000 7.900 6.260 6.156 6.440 . 0 0 "[ . 1]" 1
230 1 5 U H5 1 22 G H1' 4.000 2.300 4.900 5.852 5.690 6.007 1.107 6 10 [*****+**-*] 1
231 1 8 A H2 1 19 U H3 3.500 . 4.200 3.395 3.382 3.405 . 0 0 "[ . 1]" 1
232 1 9 U H3 1 17 G H1 3.500 . 4.200 4.536 4.516 4.581 0.381 10 0 "[ . 1]" 1
233 1 9 U H3 1 19 U H3 4.500 . 5.400 3.421 3.322 3.494 . 0 0 "[ . 1]" 1
234 1 10 C H42 1 17 G H1 2.500 . 3.000 3.428 3.425 3.431 0.431 6 0 "[ . 1]" 1
235 1 10 C H41 1 17 G H1 2.500 . 3.000 1.820 1.816 1.825 . 0 0 "[ . 1]" 1
236 1 11 A H2 1 16 U H3 3.500 . 4.200 2.355 2.338 2.374 . 0 0 "[ . 1]" 1
237 1 11 A H2 1 17 G H1 4.500 . 5.400 4.971 4.877 5.096 . 0 0 "[ . 1]" 1
238 1 9 U H3 1 18 A H2 3.500 . 4.200 2.561 2.450 2.647 . 0 0 "[ . 1]" 1
239 1 7 G H1 1 19 U H3 4.500 . 5.400 4.701 4.650 4.751 . 0 0 "[ . 1]" 1
240 1 7 G H1 1 20 C H42 4.500 . 5.400 4.211 4.130 4.285 . 0 0 "[ . 1]" 1
241 1 7 G H1 1 20 C H41 4.500 . 5.400 2.710 2.618 2.800 . 0 0 "[ . 1]" 1
242 1 7 G H1 1 21 A H1' 5.500 2.500 6.500 3.766 3.584 3.998 . 0 0 "[ . 1]" 1
243 1 2 G H1 1 22 G H21 4.500 . 6.400 6.581 6.505 6.735 0.335 8 0 "[ . 1]" 1
244 1 12 G H1 1 15 A H62 6.000 3.000 7.000 4.938 4.751 5.151 . 0 0 "[ . 1]" 1
245 1 15 A H2 1 16 U H3 6.000 3.000 7.000 6.100 5.983 6.267 . 0 0 "[ . 1]" 1
246 1 7 G H1 1 8 A H1' 6.000 3.000 7.000 5.557 5.467 5.637 . 0 0 "[ . 1]" 1
247 1 7 G H1 1 20 C H1' 4.500 . 5.400 5.083 5.004 5.127 . 0 0 "[ . 1]" 1
248 1 7 G H1 1 20 C H5 3.500 . 5.200 5.173 5.125 5.206 0.006 4 0 "[ . 1]" 1
249 1 4 U H6 1 22 G H1 4.000 2.300 4.900 5.115 5.062 5.246 0.346 5 0 "[ . 1]" 1
250 1 4 U H5 1 22 G H1 3.500 . 4.200 4.404 4.363 4.431 0.231 7 0 "[ . 1]" 1
251 1 12 G H1 1 16 U H3 5.000 . 6.000 5.347 5.180 5.532 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 47
_Distance_constraint_stats_list.Viol_count 150
_Distance_constraint_stats_list.Viol_total 48.575
_Distance_constraint_stats_list.Viol_max 0.100
_Distance_constraint_stats_list.Viol_rms 0.0221
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0103
_Distance_constraint_stats_list.Viol_average_violations_only 0.0324
_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 0.265 0.019 5 0 "[ . 1]"
1 2 G 1.464 0.091 10 0 "[ . 1]"
1 3 C 1.255 0.100 8 0 "[ . 1]"
1 4 U 0.000 0.000 . 0 "[ . 1]"
1 7 G 1.099 0.077 3 0 "[ . 1]"
1 8 A 0.000 0.000 . 0 "[ . 1]"
1 9 U 0.000 0.000 . 0 "[ . 1]"
1 10 C 0.774 0.052 3 0 "[ . 1]"
1 11 A 0.000 0.000 . 0 "[ . 1]"
1 12 G 0.000 0.000 . 0 "[ . 1]"
1 15 A 0.000 0.000 . 0 "[ . 1]"
1 16 U 0.000 0.000 . 0 "[ . 1]"
1 17 G 0.774 0.052 3 0 "[ . 1]"
1 18 A 0.000 0.000 . 0 "[ . 1]"
1 19 U 0.000 0.000 . 0 "[ . 1]"
1 20 C 1.099 0.077 3 0 "[ . 1]"
1 21 A 0.000 0.000 . 0 "[ . 1]"
1 22 G 1.255 0.100 8 0 "[ . 1]"
1 23 C 1.464 0.091 10 0 "[ . 1]"
1 24 C 0.265 0.019 5 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 24 C N3 1.890 . 1.890 1.899 1.894 1.909 0.019 5 0 "[ . 1]" 2
2 1 1 G N1 1 24 C N3 2.900 2.700 3.100 2.894 2.887 2.899 . 0 0 "[ . 1]" 2
3 1 1 G O6 1 24 C H41 1.950 . 1.950 1.961 1.958 1.967 0.017 6 0 "[ . 1]" 2
4 1 1 G O6 1 24 C N4 2.950 2.750 3.150 2.864 2.835 2.884 . 0 0 "[ . 1]" 2
5 1 1 G H22 1 24 C O2 1.950 . 1.950 1.956 1.951 1.961 0.011 2 0 "[ . 1]" 2
6 1 1 G N2 1 24 C O2 2.950 2.750 3.150 2.953 2.946 2.963 . 0 0 "[ . 1]" 2
7 1 2 G H1 1 23 C N3 1.890 . 1.890 1.974 1.961 1.981 0.091 10 0 "[ . 1]" 2
8 1 2 G N1 1 23 C N3 2.900 2.700 3.100 2.923 2.909 2.933 . 0 0 "[ . 1]" 2
9 1 2 G O6 1 23 C H41 1.950 . 1.950 1.910 1.905 1.920 0.045 1 0 "[ . 1]" 2
10 1 2 G O6 1 23 C N4 2.950 2.750 3.150 2.905 2.899 2.910 . 0 0 "[ . 1]" 2
11 1 2 G H22 1 23 C O2 1.950 . 1.950 1.928 1.922 1.939 0.028 9 0 "[ . 1]" 2
12 1 2 G N2 1 23 C O2 2.950 2.750 3.150 2.844 2.833 2.851 . 0 0 "[ . 1]" 2
13 1 3 C N3 1 22 G H1 1.890 . 1.890 1.986 1.982 1.990 0.100 8 0 "[ . 1]" 2
14 1 3 C N3 1 22 G N1 2.900 2.700 3.100 2.880 2.834 2.907 . 0 0 "[ . 1]" 2
15 1 3 C H41 1 22 G O6 1.950 . 1.950 1.929 1.919 1.948 0.031 1 0 "[ . 1]" 2
16 1 3 C N4 1 22 G O6 2.950 2.750 3.150 2.815 2.760 2.845 . 0 0 "[ . 1]" 2
17 1 3 C O2 1 22 G H22 1.950 . 1.950 1.942 1.939 1.945 0.011 7 0 "[ . 1]" 2
18 1 3 C O2 1 22 G N2 2.950 2.750 3.150 2.814 2.780 2.837 . 0 0 "[ . 1]" 2
19 1 4 U H3 1 21 A N1 2.000 . 2.200 2.078 2.057 2.143 . 0 0 "[ . 1]" 2
20 1 4 U N3 1 21 A N1 2.900 2.600 3.200 3.013 2.991 3.040 . 0 0 "[ . 1]" 2
21 1 4 U O4 1 21 A H61 2.000 . 2.200 1.937 1.892 1.949 . 0 0 "[ . 1]" 2
22 1 4 U O4 1 21 A N6 2.900 2.600 3.200 2.812 2.751 2.832 . 0 0 "[ . 1]" 2
23 1 7 G H1 1 20 C N3 1.890 . 1.890 1.955 1.936 1.967 0.077 3 0 "[ . 1]" 2
24 1 7 G N1 1 20 C N3 2.900 2.700 3.100 2.954 2.935 2.965 . 0 0 "[ . 1]" 2
25 1 7 G O6 1 20 C H41 1.950 . 1.950 1.945 1.934 1.962 0.016 10 0 "[ . 1]" 2
26 1 7 G O6 1 20 C N4 2.950 2.750 3.150 2.909 2.884 2.926 . 0 0 "[ . 1]" 2
27 1 7 G H22 1 20 C O2 1.950 . 1.950 1.916 1.906 1.932 0.044 10 0 "[ . 1]" 2
28 1 7 G N2 1 20 C O2 2.950 2.750 3.150 2.908 2.890 2.928 . 0 0 "[ . 1]" 2
29 1 8 A N1 1 19 U H3 2.000 . 2.200 2.007 1.987 2.022 . 0 0 "[ . 1]" 2
30 1 8 A N1 1 19 U N3 2.900 2.600 3.200 2.960 2.935 2.976 . 0 0 "[ . 1]" 2
31 1 8 A H61 1 19 U O4 2.000 . 2.200 1.963 1.951 1.981 . 0 0 "[ . 1]" 2
32 1 8 A N6 1 19 U O4 2.900 2.600 3.200 2.935 2.924 2.950 . 0 0 "[ . 1]" 2
33 1 9 U H3 1 18 A N1 2.000 . 2.200 1.930 1.922 1.936 . 0 0 "[ . 1]" 2
34 1 9 U N3 1 18 A N1 2.900 2.600 3.200 2.913 2.908 2.919 . 0 0 "[ . 1]" 2
35 1 9 U O4 1 18 A H61 2.000 . 2.200 1.993 1.989 1.998 . 0 0 "[ . 1]" 2
36 1 9 U O4 1 18 A N6 2.900 2.600 3.200 2.938 2.925 2.951 . 0 0 "[ . 1]" 2
37 1 10 C N3 1 17 G H1 1.890 . 1.890 1.938 1.934 1.942 0.052 3 0 "[ . 1]" 2
38 1 10 C N3 1 17 G N1 2.900 2.700 3.100 2.912 2.909 2.916 . 0 0 "[ . 1]" 2
39 1 10 C H41 1 17 G O6 1.950 . 1.950 1.938 1.936 1.942 0.014 2 0 "[ . 1]" 2
40 1 10 C N4 1 17 G O6 2.950 2.750 3.150 2.895 2.887 2.902 . 0 0 "[ . 1]" 2
41 1 10 C O2 1 17 G H22 1.950 . 1.950 1.932 1.930 1.937 0.020 2 0 "[ . 1]" 2
42 1 10 C O2 1 17 G N2 2.950 2.750 3.150 2.854 2.843 2.863 . 0 0 "[ . 1]" 2
43 1 11 A N1 1 16 U H3 2.000 . 2.200 1.986 1.973 2.002 . 0 0 "[ . 1]" 2
44 1 11 A N1 1 16 U N3 2.900 2.600 3.200 2.951 2.944 2.957 . 0 0 "[ . 1]" 2
45 1 11 A H61 1 16 U O4 2.000 . 2.200 1.980 1.972 1.987 . 0 0 "[ . 1]" 2
46 1 11 A N6 1 16 U O4 2.900 2.600 3.200 2.915 2.891 2.935 . 0 0 "[ . 1]" 2
47 1 12 G H22 1 15 A N7 2.900 2.600 3.200 2.908 2.891 2.927 . 0 0 "[ . 1]" 2
stop_
save_
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