NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
593308 |
2n2p   |
25604 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n2p
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 337
_Distance_constraint_stats_list.Viol_count 781
_Distance_constraint_stats_list.Viol_total 726.042
_Distance_constraint_stats_list.Viol_max 1.049
_Distance_constraint_stats_list.Viol_rms 0.0604
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0215
_Distance_constraint_stats_list.Viol_average_violations_only 0.0930
_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 3.582 0.319 3 0 "[ . 1]"
1 2 C 8.087 1.049 2 5 "[ + .***-1]"
1 3 A 8.295 1.049 2 5 "[ + .***-1]"
1 4 U 2.154 0.141 2 0 "[ . 1]"
1 5 G 1.744 0.182 1 0 "[ . 1]"
1 6 U 0.341 0.079 9 0 "[ . 1]"
1 7 U 4.360 0.206 1 0 "[ . 1]"
1 8 U 2.049 0.206 1 0 "[ . 1]"
1 9 A 3.310 0.226 3 0 "[ . 1]"
1 10 G 5.546 0.199 5 0 "[ . 1]"
1 11 U 6.441 0.309 7 0 "[ . 1]"
1 12 G 8.768 0.602 8 1 "[ . + 1]"
1 13 U 9.959 0.343 3 0 "[ . 1]"
1 14 C 5.914 0.295 8 0 "[ . 1]"
1 15 U 1.407 0.124 1 0 "[ . 1]"
1 16 A 2.856 0.208 3 0 "[ . 1]"
1 17 A 1.839 0.140 9 0 "[ . 1]"
1 18 A 3.755 0.165 10 0 "[ . 1]"
1 19 C 3.132 0.165 10 0 "[ . 1]"
1 20 G 3.392 0.177 7 0 "[ . 1]"
1 21 G 7.466 0.296 3 0 "[ . 1]"
1 22 U 9.287 0.296 3 0 "[ . 1]"
1 23 U 3.099 0.280 1 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 H5' 4.400 3.000 6.000 4.789 4.104 5.189 . 0 0 "[ . 1]" 1
2 1 1 G H4' 1 1 G H8 3.000 2.400 4.000 4.078 3.871 4.319 0.319 3 0 "[ . 1]" 1
3 1 1 G H1' 1 1 G H5'' 4.400 3.000 6.000 4.696 4.226 5.257 . 0 0 "[ . 1]" 1
4 1 1 G H3' 1 2 C H5 3.000 2.400 4.000 3.926 3.609 4.154 0.154 5 0 "[ . 1]" 1
5 1 1 G H1' 1 1 G H4' 3.000 2.400 4.000 3.649 3.423 3.841 . 0 0 "[ . 1]" 1
6 1 1 G H4' 1 1 G H5' 3.000 2.400 4.000 2.505 2.194 3.004 0.206 3 0 "[ . 1]" 1
7 1 1 G H5'' 1 1 G H8 3.000 2.400 4.000 2.942 2.358 3.869 0.042 6 0 "[ . 1]" 1
8 1 1 G H1' 1 1 G H8 3.000 2.400 4.000 3.683 3.465 3.870 . 0 0 "[ . 1]" 1
9 1 1 G H1' 1 2 C H5 4.400 3.000 6.000 3.762 2.886 4.864 0.114 9 0 "[ . 1]" 1
10 1 1 G H5' 1 1 G H8 3.000 2.400 4.000 3.232 2.338 4.044 0.062 10 0 "[ . 1]" 1
11 1 1 G H1' 1 2 C H6 3.000 2.400 4.000 3.663 2.380 4.260 0.260 9 0 "[ . 1]" 1
12 1 1 G H1' 1 1 G H3' 3.000 2.400 4.000 3.879 3.702 4.118 0.118 4 0 "[ . 1]" 1
13 1 1 G H1' 1 1 G H2' 3.000 2.400 4.000 2.888 2.724 3.089 . 0 0 "[ . 1]" 1
14 1 2 C H6 1 3 A H8 4.400 3.000 6.000 4.673 3.164 5.622 . 0 0 "[ . 1]" 1
15 1 2 C H3' 1 2 C H4' 3.000 2.400 4.000 2.944 2.710 3.019 . 0 0 "[ . 1]" 1
16 1 2 C H6 1 3 A Q5' 3.000 2.400 4.000 3.927 3.630 4.040 0.040 9 0 "[ . 1]" 1
17 1 2 C H4' 1 2 C H6 3.000 2.400 4.000 3.903 3.662 4.176 0.176 4 0 "[ . 1]" 1
18 1 2 C H1' 1 2 C H3' 3.000 2.400 4.000 3.933 3.801 4.052 0.052 9 0 "[ . 1]" 1
19 1 2 C H1' 1 2 C H4' 3.000 2.400 4.000 3.546 3.442 3.655 . 0 0 "[ . 1]" 1
20 1 2 C H5' 1 2 C H6 3.000 2.400 4.000 3.125 2.533 3.968 . 0 0 "[ . 1]" 1
21 1 2 C H2' 1 2 C H6 3.000 2.400 4.000 3.585 2.317 4.100 0.100 1 0 "[ . 1]" 1
22 1 2 C H5'' 1 2 C H6 3.000 2.400 4.000 3.459 2.351 3.883 0.049 1 0 "[ . 1]" 1
23 1 2 C H3' 1 2 C H6 3.000 2.400 4.000 2.952 2.286 3.529 0.114 5 0 "[ . 1]" 1
24 1 2 C H5 1 2 C H6 2.200 . 3.000 2.472 2.423 2.488 . 0 0 "[ . 1]" 1
25 1 2 C H3' 1 3 A H8 3.000 2.400 4.000 3.582 2.289 4.068 0.111 4 0 "[ . 1]" 1
26 1 2 C H1' 1 2 C H2' 3.000 2.400 4.000 2.817 2.745 2.995 . 0 0 "[ . 1]" 1
27 1 2 C H3' 1 2 C H5' 3.000 2.400 4.000 3.565 2.990 3.709 . 0 0 "[ . 1]" 1
28 1 3 A H1' 1 3 A H2' 2.200 . 3.000 3.075 2.992 3.098 0.098 7 0 "[ . 1]" 1
29 1 3 A H1' 1 3 A H3' 3.000 2.400 4.000 3.792 3.673 4.060 0.060 9 0 "[ . 1]" 1
30 1 3 A H2 1 4 U H1' 3.000 2.400 4.000 3.800 3.216 4.077 0.077 4 0 "[ . 1]" 1
31 1 3 A Q5' 1 3 A H8 3.000 2.400 4.000 3.410 2.222 3.927 0.178 10 0 "[ . 1]" 1
32 1 3 A H1' 1 4 U H6 3.000 2.400 4.000 2.715 2.358 3.328 0.042 3 0 "[ . 1]" 1
33 1 2 C H3' 1 3 A Q5' 3.000 2.400 4.000 1.879 1.351 2.519 1.049 2 5 "[ + .***-1]" 1
34 1 2 C H2' 1 3 A H8 3.000 2.400 4.000 3.247 2.372 4.259 0.259 6 0 "[ . 1]" 1
35 1 3 A H1' 1 3 A H4' 3.000 2.400 4.000 3.229 2.775 3.851 . 0 0 "[ . 1]" 1
36 1 3 A H1' 1 4 U H5 3.000 2.400 4.000 3.210 2.390 4.078 0.078 7 0 "[ . 1]" 1
37 1 3 A H1' 1 3 A H8 3.000 2.400 4.000 3.805 3.148 3.896 . 0 0 "[ . 1]" 1
38 1 2 C H1' 1 3 A H8 4.400 3.000 6.000 5.378 4.626 6.144 0.144 4 0 "[ . 1]" 1
39 1 3 A H1' 1 3 A Q5' 4.400 3.000 6.000 3.991 3.680 4.223 . 0 0 "[ . 1]" 1
40 1 3 A H2' 1 3 A H8 3.000 2.400 4.000 2.571 2.283 3.228 0.117 5 0 "[ . 1]" 1
41 1 4 U H2' 1 5 G H8 3.000 2.400 4.000 3.328 2.592 4.054 0.054 8 0 "[ . 1]" 1
42 1 4 U H1' 1 4 U H4' 3.000 2.400 4.000 3.726 3.610 3.829 . 0 0 "[ . 1]" 1
43 1 4 U H1' 1 4 U H2' 2.200 . 3.000 2.745 2.692 2.764 . 0 0 "[ . 1]" 1
44 1 4 U H5 1 4 U H6 2.200 . 3.000 2.400 2.378 2.416 . 0 0 "[ . 1]" 1
45 1 4 U H1' 1 4 U H6 3.000 2.400 4.000 3.667 3.546 3.718 . 0 0 "[ . 1]" 1
46 1 4 U H2' 1 4 U H6 3.000 2.400 4.000 3.390 2.995 4.007 0.007 2 0 "[ . 1]" 1
47 1 4 U H3' 1 4 U H5 3.000 2.400 4.000 4.025 3.863 4.141 0.141 2 0 "[ . 1]" 1
48 1 3 A H4' 1 4 U H6 3.000 2.400 4.000 3.907 3.544 4.128 0.128 9 0 "[ . 1]" 1
49 1 3 A H1' 1 4 U Q5' 3.000 2.400 4.000 2.933 2.293 3.916 0.107 10 0 "[ . 1]" 1
50 1 4 U H3' 1 4 U H6 2.200 . 3.000 2.066 1.731 2.595 0.069 8 0 "[ . 1]" 1
51 1 3 A Q5' 1 4 U H6 4.400 3.000 6.000 5.322 4.961 5.557 . 0 0 "[ . 1]" 1
52 1 5 G H2' 1 6 U H6 3.000 2.400 4.000 2.771 2.583 2.942 . 0 0 "[ . 1]" 1
53 1 5 G H1' 1 5 G H5'' 4.400 3.000 6.000 4.912 4.872 4.988 . 0 0 "[ . 1]" 1
54 1 5 G H5' 1 5 G H8 4.400 3.000 6.000 5.018 4.843 5.101 . 0 0 "[ . 1]" 1
55 1 5 G H5'' 1 5 G H8 4.400 3.000 6.000 5.121 4.966 5.283 . 0 0 "[ . 1]" 1
56 1 5 G H1' 1 6 U H6 4.400 3.000 6.000 5.436 5.300 5.611 . 0 0 "[ . 1]" 1
57 1 5 G H1' 1 5 G H8 4.400 3.000 6.000 3.577 3.522 3.647 . 0 0 "[ . 1]" 1
58 1 5 G H1' 1 5 G H2' 3.000 2.400 4.000 2.949 2.923 2.965 . 0 0 "[ . 1]" 1
59 1 4 U H1' 1 5 G H8 3.000 2.400 4.000 3.903 3.340 4.126 0.126 9 0 "[ . 1]" 1
60 1 5 G H2' 1 5 G H8 3.000 2.400 4.000 4.128 4.052 4.182 0.182 1 0 "[ . 1]" 1
61 1 6 U H5 1 6 U H6 3.000 2.400 4.000 2.447 2.434 2.463 . 0 0 "[ . 1]" 1
62 1 6 U H1' 1 6 U H2' 3.000 2.400 4.000 2.762 2.745 2.782 . 0 0 "[ . 1]" 1
63 1 6 U H1' 1 6 U H5' 4.400 3.000 6.000 4.865 4.689 4.993 . 0 0 "[ . 1]" 1
64 1 6 U H2' 1 7 U H5 3.000 2.400 4.000 3.919 3.690 4.053 0.053 2 0 "[ . 1]" 1
65 1 6 U H1' 1 6 U H6 3.000 2.400 4.000 3.565 3.467 3.599 . 0 0 "[ . 1]" 1
66 1 6 U H5' 1 6 U H6 4.400 3.000 6.000 3.415 3.189 3.594 . 0 0 "[ . 1]" 1
67 1 6 U H3' 1 6 U H6 3.000 2.400 4.000 2.413 2.321 2.669 0.079 9 0 "[ . 1]" 1
68 1 7 U H4' 1 18 A H2 4.400 3.000 6.000 6.024 5.775 6.125 0.125 8 0 "[ . 1]" 1
69 1 7 U H5' 1 7 U H6 3.000 2.400 4.000 3.330 2.813 3.603 . 0 0 "[ . 1]" 1
70 1 7 U H1' 1 18 A H2 3.000 2.400 4.000 3.201 2.998 3.403 . 0 0 "[ . 1]" 1
71 1 7 U H2' 1 7 U H6 3.000 2.400 4.000 3.809 3.666 3.910 . 0 0 "[ . 1]" 1
72 1 7 U H1' 1 7 U H4' 3.000 2.400 4.000 3.494 3.406 3.624 . 0 0 "[ . 1]" 1
73 1 7 U H5 1 7 U H5' 4.400 3.000 6.000 5.495 4.880 5.801 . 0 0 "[ . 1]" 1
74 1 7 U H3' 1 7 U H5 3.000 2.400 4.000 4.133 4.074 4.200 0.200 6 0 "[ . 1]" 1
75 1 7 U H1' 1 7 U H6 3.000 2.400 4.000 3.634 3.616 3.652 . 0 0 "[ . 1]" 1
76 1 7 U H1' 1 7 U H5' 4.400 3.000 6.000 4.658 4.553 4.749 . 0 0 "[ . 1]" 1
77 1 7 U H1' 1 7 U H2' 3.000 2.400 4.000 2.728 2.705 2.756 . 0 0 "[ . 1]" 1
78 1 7 U H5 1 7 U H6 3.000 2.400 4.000 2.399 2.391 2.404 0.009 4 0 "[ . 1]" 1
79 1 7 U H3' 1 7 U H6 3.000 2.400 4.000 2.307 2.283 2.328 0.117 7 0 "[ . 1]" 1
80 1 7 U H2' 1 7 U H5 4.400 3.000 6.000 5.315 5.140 5.423 . 0 0 "[ . 1]" 1
81 1 8 U H1' 1 8 U H2' 3.000 2.400 4.000 2.807 2.795 2.828 . 0 0 "[ . 1]" 1
82 1 8 U H5'' 1 8 U H6 3.000 2.400 4.000 4.062 4.005 4.102 0.102 3 0 "[ . 1]" 1
83 1 8 U H1' 1 8 U H4' 3.000 2.400 4.000 3.313 3.288 3.332 . 0 0 "[ . 1]" 1
84 1 8 U H2' 1 8 U H5 4.400 3.000 6.000 5.269 5.185 5.361 . 0 0 "[ . 1]" 1
85 1 8 U H2' 1 8 U H6 3.000 2.400 4.000 3.709 3.608 3.808 . 0 0 "[ . 1]" 1
86 1 7 U H1' 1 8 U H5' 3.000 2.400 4.000 4.143 4.093 4.206 0.206 1 0 "[ . 1]" 1
87 1 8 U H1' 1 17 A H2 3.000 2.400 4.000 3.660 3.384 3.964 . 0 0 "[ . 1]" 1
88 1 8 U H3' 1 8 U H6 2.200 . 3.000 2.652 2.480 2.876 . 0 0 "[ . 1]" 1
89 1 8 U H4' 1 8 U H5' 2.200 . 3.000 2.503 2.423 2.531 . 0 0 "[ . 1]" 1
90 1 8 U H2' 1 9 A H8 2.200 . 3.000 2.381 2.185 2.721 . 0 0 "[ . 1]" 1
91 1 8 U H5 1 8 U H6 3.000 2.400 4.000 2.415 2.411 2.421 . 0 0 "[ . 1]" 1
92 1 9 A H2 1 10 G H1' 3.000 2.400 4.000 4.091 3.912 4.172 0.172 1 0 "[ . 1]" 1
93 1 9 A H4' 1 9 A H8 3.000 2.400 4.000 4.135 4.080 4.226 0.226 3 0 "[ . 1]" 1
94 1 9 A H1' 1 9 A H4' 4.400 3.000 6.000 3.520 3.419 3.580 . 0 0 "[ . 1]" 1
95 1 9 A H1' 1 9 A H8 3.000 2.400 4.000 3.745 3.734 3.756 . 0 0 "[ . 1]" 1
96 1 8 U H1' 1 9 A H8 4.400 3.000 6.000 5.023 4.749 5.386 . 0 0 "[ . 1]" 1
97 1 9 A H2' 1 10 G H8 3.000 2.400 4.000 2.375 2.322 2.519 0.078 8 0 "[ . 1]" 1
98 1 9 A H1' 1 16 A H2 3.000 2.400 4.000 3.994 3.808 4.091 0.091 2 0 "[ . 1]" 1
99 1 9 A H1' 1 9 A H2' 3.000 2.400 4.000 2.756 2.742 2.770 . 0 0 "[ . 1]" 1
100 1 9 A H2 1 16 A H1' 3.000 2.400 4.000 3.963 3.802 4.074 0.074 1 0 "[ . 1]" 1
101 1 9 A H2' 1 9 A H3' 3.000 2.400 4.000 2.414 2.389 2.431 0.011 5 0 "[ . 1]" 1
102 1 9 A H2' 1 10 G H1' 3.000 2.400 4.000 3.447 3.129 4.002 0.002 10 0 "[ . 1]" 1
103 1 9 A H1' 1 10 G H8 4.400 3.000 6.000 5.013 4.825 5.171 . 0 0 "[ . 1]" 1
104 1 9 A H3' 1 9 A H8 3.000 2.400 4.000 2.779 2.697 2.936 . 0 0 "[ . 1]" 1
105 1 9 A H1' 1 9 A H2 4.400 3.000 6.000 4.689 4.646 4.729 . 0 0 "[ . 1]" 1
106 1 10 G H1' 1 11 U H5' 4.400 3.000 6.000 4.204 3.953 4.314 . 0 0 "[ . 1]" 1
107 1 10 G H4' 1 10 G H8 3.000 2.400 4.000 3.963 3.785 4.128 0.128 10 0 "[ . 1]" 1
108 1 10 G H1' 1 10 G H2' 3.000 2.400 4.000 2.831 2.774 2.885 . 0 0 "[ . 1]" 1
109 1 10 G H1' 1 10 G H3' 3.000 2.400 4.000 4.058 3.892 4.112 0.112 5 0 "[ . 1]" 1
110 1 10 G H2' 1 10 G H3' 3.000 2.400 4.000 2.330 2.306 2.391 0.094 2 0 "[ . 1]" 1
111 1 10 G H3' 1 10 G H8 3.000 2.400 4.000 3.856 2.695 4.199 0.199 5 0 "[ . 1]" 1
112 1 10 G H2' 1 10 G H8 3.000 2.400 4.000 3.918 3.740 4.085 0.085 9 0 "[ . 1]" 1
113 1 10 G H1' 1 11 U H5'' 4.400 3.000 6.000 5.819 5.061 6.056 0.056 6 0 "[ . 1]" 1
114 1 10 G H5' 1 10 G H8 4.400 3.000 6.000 3.501 3.182 3.750 . 0 0 "[ . 1]" 1
115 1 10 G H3' 1 11 U H6 3.000 2.400 4.000 2.742 2.363 3.766 0.037 6 0 "[ . 1]" 1
116 1 10 G H1' 1 10 G H5' 4.400 3.000 6.000 5.070 4.663 5.209 . 0 0 "[ . 1]" 1
117 1 10 G H5' 1 10 G H5'' 2.200 . 3.000 1.775 1.772 1.779 0.028 7 0 "[ . 1]" 1
118 1 10 G H1' 1 10 G H4' 3.000 2.400 4.000 3.775 3.518 3.889 . 0 0 "[ . 1]" 1
119 1 10 G H2' 1 12 G H1' 4.400 3.000 6.000 6.003 5.716 6.108 0.108 9 0 "[ . 1]" 1
120 1 10 G H1' 1 10 G H8 3.000 2.400 4.000 3.662 3.586 3.760 . 0 0 "[ . 1]" 1
121 1 11 U H2' 1 11 U H6 3.000 2.400 4.000 3.931 3.661 4.093 0.093 6 0 "[ . 1]" 1
122 1 11 U H5' 1 11 U H6 3.000 2.400 4.000 3.613 3.402 3.740 . 0 0 "[ . 1]" 1
123 1 11 U H4' 1 11 U H6 3.000 2.400 4.000 3.905 3.744 4.001 0.001 1 0 "[ . 1]" 1
124 1 10 G H2' 1 11 U H6 3.000 2.400 4.000 4.013 3.800 4.149 0.149 2 0 "[ . 1]" 1
125 1 11 U H2' 1 12 G H8 4.400 3.000 6.000 5.111 4.866 5.538 . 0 0 "[ . 1]" 1
126 1 11 U H3' 1 11 U H5' 3.000 2.400 4.000 3.697 3.623 3.745 . 0 0 "[ . 1]" 1
127 1 11 U H1' 1 11 U H5' 4.400 3.000 6.000 4.905 4.858 4.981 . 0 0 "[ . 1]" 1
128 1 11 U H1' 1 11 U H4' 3.000 2.400 4.000 3.487 3.404 3.557 . 0 0 "[ . 1]" 1
129 1 11 U H3' 1 12 G H8 3.000 2.400 4.000 3.726 3.363 4.012 0.012 7 0 "[ . 1]" 1
130 1 11 U H5'' 1 12 G H1' 4.400 3.000 6.000 5.924 5.221 6.218 0.218 5 0 "[ . 1]" 1
131 1 11 U H5' 1 11 U H5'' 2.200 . 3.000 1.776 1.772 1.778 0.028 3 0 "[ . 1]" 1
132 1 11 U H4' 1 11 U H5'' 2.200 . 3.000 2.641 2.535 2.674 . 0 0 "[ . 1]" 1
133 1 11 U H5'' 1 11 U H6 3.000 2.400 4.000 3.380 2.985 3.551 . 0 0 "[ . 1]" 1
134 1 11 U H5 1 11 U H6 2.200 . 3.000 2.391 2.386 2.399 . 0 0 "[ . 1]" 1
135 1 11 U H3' 1 11 U H5 3.000 2.400 4.000 4.245 4.174 4.309 0.309 7 0 "[ . 1]" 1
136 1 11 U H4' 1 12 G H1' 3.000 2.400 4.000 4.229 4.134 4.295 0.295 5 0 "[ . 1]" 1
137 1 11 U H1' 1 11 U H2' 3.000 2.400 4.000 2.781 2.741 2.821 . 0 0 "[ . 1]" 1
138 1 11 U H4' 1 11 U H5' 2.200 . 3.000 2.270 2.244 2.307 . 0 0 "[ . 1]" 1
139 1 11 U H2' 1 11 U H5 4.400 3.000 6.000 5.168 5.051 5.311 . 0 0 "[ . 1]" 1
140 1 11 U H1' 1 11 U H5'' 4.400 3.000 6.000 5.114 5.079 5.180 . 0 0 "[ . 1]" 1
141 1 11 U H1' 1 11 U H6 3.000 2.400 4.000 3.498 3.431 3.609 . 0 0 "[ . 1]" 1
142 1 11 U H3' 1 11 U H6 3.000 2.400 4.000 2.881 2.488 3.026 . 0 0 "[ . 1]" 1
143 1 12 G H1' 1 12 G H8 3.000 2.400 4.000 3.881 3.870 3.889 . 0 0 "[ . 1]" 1
144 1 12 G H2' 1 12 G H3' 3.000 2.400 4.000 2.423 2.324 2.514 0.076 2 0 "[ . 1]" 1
145 1 12 G H2' 1 12 G H4' 3.000 2.400 4.000 3.823 3.731 3.917 . 0 0 "[ . 1]" 1
146 1 12 G H5' 1 12 G H8 3.000 2.400 4.000 3.975 3.605 4.602 0.602 8 1 "[ . + 1]" 1
147 1 12 G H1' 1 12 G H3' 3.000 2.400 4.000 3.740 3.638 3.871 . 0 0 "[ . 1]" 1
148 1 12 G H1' 1 12 G H4' 3.000 2.400 4.000 3.121 2.975 3.280 . 0 0 "[ . 1]" 1
149 1 12 G H5' 1 12 G H5'' 2.200 . 3.000 1.774 1.772 1.776 0.028 1 0 "[ . 1]" 1
150 1 12 G H4' 1 12 G H5'' 2.200 . 3.000 2.269 2.206 2.702 . 0 0 "[ . 1]" 1
151 1 12 G H4' 1 12 G H5' 2.200 . 3.000 2.654 2.224 2.767 . 0 0 "[ . 1]" 1
152 1 12 G H1' 1 13 U H5 4.400 3.000 6.000 5.098 4.872 5.330 . 0 0 "[ . 1]" 1
153 1 12 G H2' 1 12 G H5' 3.000 2.400 4.000 3.793 3.444 4.086 0.086 8 0 "[ . 1]" 1
154 1 12 G H1' 1 12 G H5' 4.400 3.000 6.000 4.415 4.329 4.853 . 0 0 "[ . 1]" 1
155 1 12 G H5' 1 13 U H2' 3.000 2.400 4.000 4.019 3.262 4.155 0.155 5 0 "[ . 1]" 1
156 1 12 G H1' 1 12 G H2' 3.000 2.400 4.000 3.071 3.051 3.082 . 0 0 "[ . 1]" 1
157 1 12 G H2' 1 12 G H8 3.000 2.400 4.000 2.387 2.246 2.534 0.154 3 0 "[ . 1]" 1
158 1 12 G H5'' 1 13 U H2' 3.000 2.400 4.000 3.460 3.126 4.197 0.197 8 0 "[ . 1]" 1
159 1 12 G H1' 1 12 G H5'' 4.400 3.000 6.000 4.853 4.653 4.916 . 0 0 "[ . 1]" 1
160 1 13 U H1' 1 14 C H6 4.400 3.000 6.000 6.071 6.019 6.127 0.127 10 0 "[ . 1]" 1
161 1 13 U H3' 1 13 U Q5' 3.000 2.400 4.000 2.467 2.329 2.920 0.071 3 0 "[ . 1]" 1
162 1 13 U H2' 1 13 U H4' 3.000 2.400 4.000 3.834 3.713 4.030 0.030 10 0 "[ . 1]" 1
163 1 13 U H2' 1 13 U H5 3.000 2.400 4.000 4.089 4.024 4.163 0.163 2 0 "[ . 1]" 1
164 1 13 U H4' 1 13 U Q5' 3.000 2.400 4.000 2.186 2.146 2.213 0.254 7 0 "[ . 1]" 1
165 1 13 U Q5' 1 13 U H6 3.000 2.400 4.000 2.448 2.292 3.076 0.108 9 0 "[ . 1]" 1
166 1 13 U H4' 1 14 C H5 3.000 2.400 4.000 3.321 2.740 3.751 . 0 0 "[ . 1]" 1
167 1 12 G H1' 1 13 U H6 3.000 2.400 4.000 4.234 4.147 4.343 0.343 3 0 "[ . 1]" 1
168 1 13 U H2' 1 14 C H6 4.400 3.000 6.000 5.513 5.212 5.806 . 0 0 "[ . 1]" 1
169 1 13 U H3' 1 13 U H6 3.000 2.400 4.000 3.727 2.955 4.027 0.027 2 0 "[ . 1]" 1
170 1 12 G H1' 1 13 U H4' 4.400 3.000 6.000 5.970 5.679 6.100 0.100 4 0 "[ . 1]" 1
171 1 13 U H1' 1 13 U H2' 3.000 2.400 4.000 3.025 2.918 3.056 . 0 0 "[ . 1]" 1
172 1 13 U H2' 1 13 U H3' 3.000 2.400 4.000 2.430 2.327 2.485 0.073 10 0 "[ . 1]" 1
173 1 13 U H2' 1 13 U H6 2.200 . 3.000 1.790 1.705 1.901 0.095 4 0 "[ . 1]" 1
174 1 13 U H1' 1 13 U Q5' 3.000 3.000 4.000 4.021 3.943 4.091 0.091 3 0 "[ . 1]" 1
175 1 13 U H5 1 13 U H6 2.200 . 3.000 2.390 2.380 2.398 . 0 0 "[ . 1]" 1
176 1 13 U H4' 1 13 U H6 4.400 3.000 6.000 4.416 4.228 4.588 . 0 0 "[ . 1]" 1
177 1 13 U H1' 1 13 U H6 3.000 2.400 4.000 3.665 3.641 3.694 . 0 0 "[ . 1]" 1
178 1 13 U H1' 1 13 U H4' 3.000 2.400 4.000 3.717 3.648 3.818 . 0 0 "[ . 1]" 1
179 1 13 U H1' 1 13 U H5 4.400 3.000 6.000 5.389 5.379 5.399 . 0 0 "[ . 1]" 1
180 1 13 U Q5' 1 14 C H6 3.000 2.400 4.000 2.485 2.303 2.843 0.097 10 0 "[ . 1]" 1
181 1 14 C H6 1 15 U H1' 4.400 3.000 6.000 6.083 6.032 6.124 0.124 1 0 "[ . 1]" 1
182 1 13 U Q5' 1 14 C H1' 3.000 2.400 4.000 3.382 2.773 4.000 0.000 7 0 "[ . 1]" 1
183 1 14 C H4' 1 14 C H5'' 2.200 . 3.000 2.891 2.844 2.931 . 0 0 "[ . 1]" 1
184 1 14 C H1' 1 14 C H3' 4.400 3.000 6.000 3.907 3.845 3.938 . 0 0 "[ . 1]" 1
185 1 14 C H1' 1 14 C H2' 3.000 2.400 4.000 2.773 2.743 2.796 . 0 0 "[ . 1]" 1
186 1 14 C H5'' 1 14 C H6 3.000 2.400 4.000 2.341 2.274 2.473 0.126 8 0 "[ . 1]" 1
187 1 14 C H3' 1 14 C H6 3.000 2.400 4.000 2.873 2.740 3.028 . 0 0 "[ . 1]" 1
188 1 13 U H4' 1 14 C H6 3.000 2.400 4.000 2.438 2.313 2.613 0.087 7 0 "[ . 1]" 1
189 1 14 C H3' 1 15 U H6 3.000 2.400 4.000 3.115 2.851 3.349 . 0 0 "[ . 1]" 1
190 1 14 C H1' 1 14 C H5 4.400 3.000 6.000 5.307 5.270 5.341 . 0 0 "[ . 1]" 1
191 1 13 U Q5' 1 14 C H5 3.000 2.400 4.000 2.874 2.345 3.582 0.055 7 0 "[ . 1]" 1
192 1 14 C H2' 1 14 C H5'' 3.000 2.400 4.000 4.253 4.222 4.295 0.295 8 0 "[ . 1]" 1
193 1 14 C H2' 1 14 C H5 4.400 3.000 6.000 5.302 5.197 5.428 . 0 0 "[ . 1]" 1
194 1 14 C H4' 1 14 C H6 3.000 2.400 4.000 3.820 3.738 4.005 0.005 3 0 "[ . 1]" 1
195 1 12 G H1' 1 14 C H1' 3.000 2.400 4.000 3.792 3.360 3.988 . 0 0 "[ . 1]" 1
196 1 14 C H1' 1 14 C H6 3.000 2.400 4.000 3.561 3.510 3.597 . 0 0 "[ . 1]" 1
197 1 14 C H2' 1 14 C H6 3.000 2.400 4.000 3.854 3.766 4.000 . 0 0 "[ . 1]" 1
198 1 14 C H5 1 14 C H5'' 4.400 3.000 6.000 4.220 4.082 4.526 . 0 0 "[ . 1]" 1
199 1 14 C H1' 1 14 C H4' 3.000 2.400 4.000 3.626 3.500 3.697 . 0 0 "[ . 1]" 1
200 1 14 C H1' 1 14 C H5'' 4.400 3.000 6.000 4.733 4.685 4.782 . 0 0 "[ . 1]" 1
201 1 14 C H5 1 14 C H6 2.200 . 3.000 2.432 2.423 2.447 . 0 0 "[ . 1]" 1
202 1 15 U H1' 1 15 U H4' 3.000 2.400 4.000 3.009 2.947 3.177 . 0 0 "[ . 1]" 1
203 1 15 U H3' 1 15 U H6 3.000 2.400 4.000 3.479 3.297 3.666 . 0 0 "[ . 1]" 1
204 1 15 U H1' 1 15 U H2' 3.000 2.400 4.000 2.884 2.857 2.895 . 0 0 "[ . 1]" 1
205 1 15 U H2' 1 16 A H1' 3.000 2.400 4.000 2.909 2.417 3.259 . 0 0 "[ . 1]" 1
206 1 15 U H5 1 15 U H6 2.200 . 3.000 2.411 2.408 2.417 . 0 0 "[ . 1]" 1
207 1 15 U H1' 1 15 U H3' 3.000 2.400 4.000 3.888 3.847 3.919 . 0 0 "[ . 1]" 1
208 1 14 C H4' 1 15 U H6 4.400 3.000 6.000 5.823 5.611 6.042 0.042 8 0 "[ . 1]" 1
209 1 15 U H1' 1 15 U H6 3.000 2.400 4.000 3.437 3.391 3.474 . 0 0 "[ . 1]" 1
210 1 15 U H1' 1 15 U H5' 4.400 3.000 6.000 4.699 4.661 4.796 . 0 0 "[ . 1]" 1
211 1 14 C H2' 1 15 U H5 4.400 3.000 6.000 4.573 4.316 4.792 . 0 0 "[ . 1]" 1
212 1 14 C H5 1 15 U H5 3.000 2.400 4.000 4.051 4.008 4.088 0.088 3 0 "[ . 1]" 1
213 1 16 A H2' 1 17 A H8 3.000 2.400 4.000 3.203 2.790 3.577 . 0 0 "[ . 1]" 1
214 1 16 A H1' 1 16 A H8 3.000 2.400 4.000 3.535 3.508 3.558 . 0 0 "[ . 1]" 1
215 1 16 A H1' 1 16 A H4' 3.000 2.400 4.000 3.437 3.241 3.527 . 0 0 "[ . 1]" 1
216 1 15 U H1' 1 16 A H8 4.400 3.000 6.000 5.389 5.224 5.495 . 0 0 "[ . 1]" 1
217 1 15 U H2' 1 16 A H8 3.000 2.400 4.000 2.548 2.368 2.636 0.032 5 0 "[ . 1]" 1
218 1 16 A H2' 1 16 A H8 3.000 2.400 4.000 4.178 4.115 4.208 0.208 3 0 "[ . 1]" 1
219 1 16 A H2 1 17 A H1' 3.000 2.400 4.000 3.990 3.815 4.083 0.083 4 0 "[ . 1]" 1
220 1 16 A H1' 1 16 A H2' 3.000 2.400 4.000 2.833 2.812 2.890 . 0 0 "[ . 1]" 1
221 1 16 A H1' 1 16 A H5' 4.400 3.000 6.000 4.885 4.783 4.930 . 0 0 "[ . 1]" 1
222 1 17 A H3' 1 17 A H8 3.000 2.400 4.000 3.722 3.534 3.995 . 0 0 "[ . 1]" 1
223 1 17 A H2 1 18 A H1' 3.000 2.400 4.000 3.899 3.532 4.049 0.049 7 0 "[ . 1]" 1
224 1 17 A H1' 1 17 A H8 3.000 2.400 4.000 3.521 3.496 3.541 . 0 0 "[ . 1]" 1
225 1 16 A H2 1 17 A H2' 4.400 3.000 6.000 5.973 5.911 6.047 0.047 7 0 "[ . 1]" 1
226 1 17 A H1' 1 17 A H5' 4.400 3.000 6.000 4.833 4.676 4.937 . 0 0 "[ . 1]" 1
227 1 17 A H1' 1 17 A H2' 3.000 2.400 4.000 2.824 2.777 2.890 . 0 0 "[ . 1]" 1
228 1 17 A H1' 1 17 A H4' 3.000 2.400 4.000 3.264 2.972 3.481 . 0 0 "[ . 1]" 1
229 1 17 A H2 1 17 A H2' 3.000 2.400 4.000 4.080 4.047 4.140 0.140 9 0 "[ . 1]" 1
230 1 17 A H1' 1 17 A H3' 3.000 2.400 4.000 3.858 3.794 3.894 . 0 0 "[ . 1]" 1
231 1 17 A H1' 1 17 A H2 4.400 3.000 6.000 5.041 5.008 5.067 . 0 0 "[ . 1]" 1
232 1 17 A H2' 1 18 A H8 3.000 2.400 4.000 2.735 2.368 2.962 0.032 9 0 "[ . 1]" 1
233 1 17 A H4' 1 17 A H8 4.400 3.000 6.000 4.551 4.407 4.683 . 0 0 "[ . 1]" 1
234 1 16 A H1' 1 17 A H8 4.400 3.000 6.000 5.624 5.337 5.871 . 0 0 "[ . 1]" 1
235 1 18 A H3' 1 18 A H8 3.000 2.400 4.000 3.640 3.459 3.996 . 0 0 "[ . 1]" 1
236 1 18 A H1' 1 18 A H8 4.400 3.000 6.000 3.626 3.605 3.654 . 0 0 "[ . 1]" 1
237 1 17 A H1' 1 18 A H5' 4.400 3.000 6.000 6.034 5.924 6.123 0.123 1 0 "[ . 1]" 1
238 1 18 A H2 1 19 C H1' 3.000 2.400 4.000 3.424 3.275 3.492 . 0 0 "[ . 1]" 1
239 1 18 A H2' 1 19 C H5 3.000 2.400 4.000 3.439 3.055 3.726 . 0 0 "[ . 1]" 1
240 1 18 A H1' 1 18 A H3' 3.000 2.400 4.000 3.925 3.897 3.960 . 0 0 "[ . 1]" 1
241 1 18 A H1' 1 19 C H6 4.400 3.000 6.000 5.373 5.138 5.563 . 0 0 "[ . 1]" 1
242 1 18 A H1' 1 18 A H4' 3.000 2.400 4.000 3.240 3.028 3.434 . 0 0 "[ . 1]" 1
243 1 18 A H2' 1 18 A H8 3.000 2.400 4.000 4.105 4.051 4.146 0.146 7 0 "[ . 1]" 1
244 1 18 A H2 1 18 A H2' 4.400 3.000 6.000 4.548 4.479 4.670 . 0 0 "[ . 1]" 1
245 1 18 A H2' 1 19 C H6 3.000 2.400 4.000 2.537 2.342 2.731 0.058 2 0 "[ . 1]" 1
246 1 18 A H2' 1 19 C H1' 3.000 2.400 4.000 4.016 3.650 4.118 0.118 6 0 "[ . 1]" 1
247 1 18 A H3' 1 18 A H5' 3.000 2.400 4.000 3.744 3.719 3.769 . 0 0 "[ . 1]" 1
248 1 18 A H1' 1 18 A H5' 4.400 3.000 6.000 4.651 4.607 4.745 . 0 0 "[ . 1]" 1
249 1 18 A H1' 1 18 A H2' 2.200 . 3.000 2.855 2.809 2.902 . 0 0 "[ . 1]" 1
250 1 19 C H3' 1 19 C H5 4.400 3.000 6.000 4.910 4.554 5.358 . 0 0 "[ . 1]" 1
251 1 18 A H1' 1 19 C H5' 4.400 3.000 6.000 4.821 4.242 5.484 . 0 0 "[ . 1]" 1
252 1 19 C H4' 1 19 C H6 3.000 2.400 4.000 3.975 3.850 4.081 0.081 4 0 "[ . 1]" 1
253 1 19 C H3' 1 20 G H8 3.000 2.400 4.000 3.610 2.656 4.058 0.058 3 0 "[ . 1]" 1
254 1 19 C H3' 1 19 C H6 3.000 2.400 4.000 2.775 2.427 3.265 . 0 0 "[ . 1]" 1
255 1 18 A H3' 1 19 C H6 3.000 2.400 4.000 3.210 2.622 3.433 . 0 0 "[ . 1]" 1
256 1 18 A H2 1 19 C H4' 4.400 3.000 6.000 6.093 6.021 6.165 0.165 10 0 "[ . 1]" 1
257 1 19 C H5' 1 19 C H6 3.000 2.400 4.000 3.437 2.999 3.714 . 0 0 "[ . 1]" 1
258 1 19 C H3' 1 19 C H5' 3.000 2.400 4.000 3.670 3.610 3.715 . 0 0 "[ . 1]" 1
259 1 19 C H5 1 19 C H6 3.000 2.400 4.000 2.426 2.419 2.442 . 0 0 "[ . 1]" 1
260 1 19 C H4' 1 19 C H5' 3.000 2.400 4.000 2.437 2.318 2.582 0.082 10 0 "[ . 1]" 1
261 1 19 C H1' 1 20 G H8 4.400 3.000 6.000 5.166 4.695 5.531 . 0 0 "[ . 1]" 1
262 1 19 C H5'' 1 19 C H6 4.400 3.000 6.000 3.721 3.502 3.921 . 0 0 "[ . 1]" 1
263 1 19 C H1' 1 19 C H3' 3.000 2.400 4.000 3.981 3.939 4.007 0.007 3 0 "[ . 1]" 1
264 1 19 C H1' 1 19 C H6 3.000 2.400 4.000 3.632 3.562 3.676 . 0 0 "[ . 1]" 1
265 1 19 C H3' 1 19 C H4' 3.000 2.400 4.000 2.961 2.931 2.987 . 0 0 "[ . 1]" 1
266 1 19 C H1' 1 19 C H2' 3.000 2.400 4.000 2.844 2.809 2.884 . 0 0 "[ . 1]" 1
267 1 19 C H1' 1 19 C H4' 3.000 2.400 4.000 3.394 3.254 3.554 . 0 0 "[ . 1]" 1
268 1 20 G H2' 1 21 G H8 3.000 2.400 4.000 3.886 2.928 4.157 0.157 3 0 "[ . 1]" 1
269 1 20 G H1' 1 20 G H4' 3.000 2.400 4.000 3.531 3.392 3.703 . 0 0 "[ . 1]" 1
270 1 19 C H6 1 20 G H3' 4.400 3.000 6.000 6.062 5.767 6.157 0.157 5 0 "[ . 1]" 1
271 1 20 G H2' 1 20 G H3' 3.000 2.400 4.000 2.397 2.356 2.427 0.044 4 0 "[ . 1]" 1
272 1 19 C H3' 1 20 G H5'' 3.000 2.400 4.000 3.618 3.060 4.113 0.113 10 0 "[ . 1]" 1
273 1 20 G H8 1 21 G H5'' 4.400 3.000 6.000 5.504 4.971 5.969 . 0 0 "[ . 1]" 1
274 1 20 G H1' 1 21 G H5'' 4.400 3.000 6.000 4.914 3.014 5.788 . 0 0 "[ . 1]" 1
275 1 20 G H3' 1 20 G H4' 3.000 2.400 4.000 2.986 2.924 3.014 . 0 0 "[ . 1]" 1
276 1 20 G H4' 1 20 G H5' 3.000 2.400 4.000 2.365 2.223 2.674 0.177 7 0 "[ . 1]" 1
277 1 20 G H2' 1 20 G H8 3.000 2.400 4.000 3.508 3.021 4.155 0.155 10 0 "[ . 1]" 1
278 1 20 G H4' 1 20 G H8 4.400 3.000 6.000 4.173 3.970 4.337 . 0 0 "[ . 1]" 1
279 1 20 G H1' 1 20 G H3' 3.000 2.400 4.000 3.904 3.813 4.008 0.008 7 0 "[ . 1]" 1
280 1 20 G H3' 1 20 G H8 3.000 2.400 4.000 2.469 2.286 3.027 0.114 6 0 "[ . 1]" 1
281 1 19 C H2' 1 20 G H8 3.000 2.400 4.000 3.164 2.492 4.095 0.095 4 0 "[ . 1]" 1
282 1 19 C H4' 1 20 G H8 4.400 3.000 6.000 4.957 3.400 5.992 . 0 0 "[ . 1]" 1
283 1 20 G H1' 1 20 G H2' 2.200 . 3.000 2.789 2.753 2.842 . 0 0 "[ . 1]" 1
284 1 20 G H5'' 1 20 G H8 3.000 2.400 4.000 3.505 2.962 4.113 0.113 10 0 "[ . 1]" 1
285 1 20 G H5' 1 20 G H8 4.400 3.000 6.000 3.797 2.854 4.174 0.146 10 0 "[ . 1]" 1
286 1 20 G H3' 1 20 G H5' 3.000 2.400 4.000 3.676 3.526 3.763 . 0 0 "[ . 1]" 1
287 1 20 G H1' 1 20 G H8 3.000 2.400 4.000 3.817 3.636 3.885 . 0 0 "[ . 1]" 1
288 1 21 G H5'' 1 22 U H6 3.000 2.400 4.000 3.547 3.070 4.113 0.113 7 0 "[ . 1]" 1
289 1 21 G H1' 1 21 G H2' 2.200 . 3.000 2.924 2.840 3.005 0.005 10 0 "[ . 1]" 1
290 1 20 G H3' 1 21 G H8 4.400 3.000 6.000 4.996 4.159 5.331 . 0 0 "[ . 1]" 1
291 1 21 G H1' 1 21 G H8 3.000 2.400 4.000 3.834 3.804 3.858 . 0 0 "[ . 1]" 1
292 1 21 G H2' 1 22 U H1' 2.200 . 3.000 3.108 3.021 3.296 0.296 3 0 "[ . 1]" 1
293 1 21 G H5' 1 22 U H6 3.000 2.400 4.000 3.537 2.457 4.023 0.023 8 0 "[ . 1]" 1
294 1 21 G H2' 1 22 U H5' 3.000 2.400 4.000 3.561 2.132 4.241 0.268 6 0 "[ . 1]" 1
295 1 21 G H2' 1 22 U H6 2.200 . 3.000 3.182 3.101 3.244 0.244 1 0 "[ . 1]" 1
296 1 21 G H4' 1 21 G H8 3.000 2.400 4.000 4.063 3.992 4.130 0.130 7 0 "[ . 1]" 1
297 1 21 G H5' 1 21 G H8 3.000 2.400 4.000 3.104 2.143 3.549 0.257 7 0 "[ . 1]" 1
298 1 21 G H1' 1 21 G H4' 3.000 2.400 4.000 3.738 3.665 3.807 . 0 0 "[ . 1]" 1
299 1 21 G H1' 1 22 U H5'' 4.400 3.000 6.000 5.519 5.140 6.035 0.035 8 0 "[ . 1]" 1
300 1 21 G H3' 1 21 G H8 3.000 2.400 4.000 3.438 2.739 4.001 0.001 10 0 "[ . 1]" 1
301 1 21 G H2' 1 21 G H8 4.400 3.000 6.000 3.162 2.972 3.413 0.028 5 0 "[ . 1]" 1
302 1 22 U H2' 1 22 U H6 2.200 . 3.000 3.103 3.003 3.282 0.282 7 0 "[ . 1]" 1
303 1 22 U H1' 1 22 U H4' 3.000 2.400 4.000 3.288 3.095 3.452 . 0 0 "[ . 1]" 1
304 1 22 U H5' 1 22 U H5'' 2.200 . 3.000 1.773 1.768 1.781 0.032 7 0 "[ . 1]" 1
305 1 22 U H4' 1 22 U H5' 2.200 . 3.000 2.578 2.452 2.649 . 0 0 "[ . 1]" 1
306 1 22 U H1' 1 22 U H5'' 4.400 3.000 6.000 4.691 4.453 5.189 . 0 0 "[ . 1]" 1
307 1 22 U H5' 1 22 U H6 3.000 2.400 4.000 3.627 3.289 3.850 . 0 0 "[ . 1]" 1
308 1 22 U H3' 1 22 U H6 3.000 2.400 4.000 2.364 2.273 2.739 0.127 9 0 "[ . 1]" 1
309 1 22 U H2' 1 23 U H4' 3.000 2.400 4.000 3.920 3.412 4.070 0.070 2 0 "[ . 1]" 1
310 1 22 U H2' 1 23 U H6 3.000 2.400 4.000 3.997 3.854 4.075 0.075 4 0 "[ . 1]" 1
311 1 22 U H1' 1 22 U H2' 2.200 . 3.000 2.838 2.805 2.899 . 0 0 "[ . 1]" 1
312 1 22 U H2' 1 22 U H5 4.400 3.000 6.000 4.565 4.510 4.625 . 0 0 "[ . 1]" 1
313 1 22 U H1' 1 22 U H6 3.000 2.400 4.000 3.649 3.558 3.694 . 0 0 "[ . 1]" 1
314 1 21 G H8 1 22 U H4' 4.400 3.000 6.000 6.120 5.889 6.187 0.187 6 0 "[ . 1]" 1
315 1 22 U H1' 1 22 U H3' 3.000 2.400 4.000 3.930 3.898 3.958 . 0 0 "[ . 1]" 1
316 1 22 U H2' 1 22 U H4' 3.000 2.400 4.000 3.851 3.800 3.929 . 0 0 "[ . 1]" 1
317 1 22 U H4' 1 22 U H6 3.000 2.400 4.000 4.034 3.964 4.079 0.079 10 0 "[ . 1]" 1
318 1 22 U H1' 1 22 U H5' 4.400 3.000 6.000 4.937 4.491 5.148 . 0 0 "[ . 1]" 1
319 1 22 U H5 1 22 U H6 2.200 . 3.000 2.403 2.387 2.421 . 0 0 "[ . 1]" 1
320 1 22 U H5'' 1 22 U H6 3.000 2.400 4.000 2.970 2.348 4.094 0.094 3 0 "[ . 1]" 1
321 1 23 U H1' 1 23 U H3' 3.000 2.400 4.000 3.973 3.879 4.064 0.064 9 0 "[ . 1]" 1
322 1 23 U H3' 1 23 U H4' 3.000 2.400 4.000 2.925 2.697 2.999 . 0 0 "[ . 1]" 1
323 1 23 U H5 1 23 U Q5' 4.400 3.000 6.000 4.185 3.723 4.381 . 0 0 "[ . 1]" 1
324 1 23 U Q5' 1 23 U H6 3.000 2.400 4.000 2.336 2.144 2.501 0.256 5 0 "[ . 1]" 1
325 1 23 U H4' 1 23 U Q5' 2.200 . 3.000 2.277 2.112 2.496 . 0 0 "[ . 1]" 1
326 1 23 U H3' 1 23 U H6 3.000 2.400 4.000 3.613 2.721 4.031 0.031 9 0 "[ . 1]" 1
327 1 23 U H1' 1 23 U Q5' 4.400 3.000 6.000 4.105 3.964 4.172 . 0 0 "[ . 1]" 1
328 1 23 U H2' 1 23 U H6 3.000 2.400 4.000 3.895 2.866 4.280 0.280 1 0 "[ . 1]" 1
329 1 23 U H2' 1 23 U H4' 3.000 2.400 4.000 3.926 3.846 4.036 0.036 5 0 "[ . 1]" 1
330 1 23 U H5' 1 23 U H5'' 2.200 . 3.000 1.776 1.772 1.779 0.028 9 0 "[ . 1]" 1
331 1 23 U H1' 1 23 U H6 3.000 2.400 4.000 3.434 3.205 3.687 . 0 0 "[ . 1]" 1
332 1 22 U H6 1 23 U H5 3.000 2.400 4.000 3.734 3.392 4.053 0.053 3 0 "[ . 1]" 1
333 1 23 U H1' 1 23 U H4' 3.000 2.400 4.000 3.508 3.369 3.711 . 0 0 "[ . 1]" 1
334 1 23 U H3' 1 23 U Q5' 3.000 2.400 4.000 2.640 2.248 3.016 0.152 1 0 "[ . 1]" 1
335 1 23 U H1' 1 23 U H2' 3.000 2.400 4.000 2.845 2.782 3.012 . 0 0 "[ . 1]" 1
336 1 22 U H5 1 23 U Q5' 3.000 2.400 4.000 3.900 3.667 4.031 0.031 2 0 "[ . 1]" 1
337 1 23 U H5 1 23 U H6 2.200 . 3.000 2.405 2.396 2.415 . 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 15
_Distance_constraint_stats_list.Viol_count 39
_Distance_constraint_stats_list.Viol_total 33.709
_Distance_constraint_stats_list.Viol_max 0.744
_Distance_constraint_stats_list.Viol_rms 0.0764
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0225
_Distance_constraint_stats_list.Viol_average_violations_only 0.0864
_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 2 C 1.104 0.236 10 0 "[ . 1]"
1 3 A 1.509 0.236 10 0 "[ . 1]"
1 4 U 1.509 0.236 10 0 "[ . 1]"
1 5 G 0.000 0.000 . 0 "[ . 1]"
1 6 U 0.000 0.000 . 0 "[ . 1]"
1 7 U 0.225 0.062 1 0 "[ . 1]"
1 8 U 0.225 0.062 1 0 "[ . 1]"
1 9 A 0.000 0.000 . 0 "[ . 1]"
1 12 G 0.000 0.000 . 0 "[ . 1]"
1 13 U 0.000 0.000 . 0 "[ . 1]"
1 14 C 0.000 0.000 . 0 "[ . 1]"
1 15 U 0.134 0.051 5 0 "[ . 1]"
1 20 G 1.260 0.744 7 1 "[ . + 1]"
1 21 G 1.394 0.744 7 1 "[ . + 1]"
1 22 U 0.243 0.114 4 0 "[ . 1]"
1 23 U 0.108 0.069 3 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 C H3' 1 3 A H1' 3.000 2.400 4.000 3.728 2.460 4.236 0.236 10 0 "[ . 1]" 2
2 1 3 A Q5' 1 4 U H5 3.000 2.400 4.000 3.512 2.867 4.002 0.002 10 0 "[ . 1]" 2
3 1 3 A H1' 1 3 A Q5' 3.000 2.400 4.000 2.795 2.278 3.581 0.122 10 0 "[ . 1]" 2
4 1 5 G H5' 1 6 U H6 4.400 3.000 6.000 3.407 3.185 3.585 . 0 0 "[ . 1]" 2
5 1 7 U H2' 1 8 U H6 3.000 2.400 4.000 2.395 2.338 2.496 0.062 1 0 "[ . 1]" 2
6 1 8 U H5' 1 8 U H6 3.000 2.400 4.000 3.465 3.398 3.649 . 0 0 "[ . 1]" 2
7 1 8 U H5' 1 9 A H8 4.400 3.000 6.000 3.789 3.592 4.104 . 0 0 "[ . 1]" 2
8 1 8 U H5' 1 9 A H1' 4.400 3.000 6.000 4.875 4.816 4.933 . 0 0 "[ . 1]" 2
9 1 12 G H5'' 1 12 G H8 4.400 3.000 6.000 4.917 4.075 5.288 . 0 0 "[ . 1]" 2
10 1 13 U H4' 1 14 C H1' 3.000 2.400 4.000 3.515 3.358 3.601 . 0 0 "[ . 1]" 2
11 1 13 U H4' 1 13 U Q5' 2.200 . 3.000 2.184 2.145 2.209 . 0 0 "[ . 1]" 2
12 1 15 U H5 1 15 U Q5' 4.400 3.000 6.000 5.959 5.752 6.051 0.051 5 0 "[ . 1]" 2
13 1 20 G H1' 1 20 G H5' 3.000 2.400 4.000 4.032 3.745 4.744 0.744 7 1 "[ . + 1]" 2
14 1 21 G H3' 1 22 U H5 3.000 2.400 4.000 3.678 2.890 4.114 0.114 4 0 "[ . 1]" 2
15 1 22 U H6 1 23 U H4' 3.000 2.400 4.000 3.943 3.768 4.069 0.069 3 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 103
_Distance_constraint_stats_list.Viol_total 49.950
_Distance_constraint_stats_list.Viol_max 0.139
_Distance_constraint_stats_list.Viol_rms 0.0316
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0178
_Distance_constraint_stats_list.Viol_average_violations_only 0.0485
_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 0.066 0.033 10 0 "[ . 1]"
1 6 U 0.451 0.074 4 0 "[ . 1]"
1 7 U 1.454 0.117 3 0 "[ . 1]"
1 8 U 0.556 0.066 9 0 "[ . 1]"
1 9 A 0.180 0.035 10 0 "[ . 1]"
1 10 G 2.288 0.139 6 0 "[ . 1]"
1 14 C 2.288 0.139 6 0 "[ . 1]"
1 15 U 0.180 0.035 10 0 "[ . 1]"
1 16 A 0.556 0.066 9 0 "[ . 1]"
1 17 A 1.454 0.117 3 0 "[ . 1]"
1 18 A 0.451 0.074 4 0 "[ . 1]"
1 19 C 0.066 0.033 10 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 U N3 1 18 A N1 2.950 2.750 3.150 2.898 2.815 3.042 . 0 0 "[ . 1]" 3
2 1 6 U H3 1 18 A N1 1.930 . 2.130 1.969 1.861 2.121 . 0 0 "[ . 1]" 3
3 1 6 U O4 1 18 A H61 1.800 . 2.000 2.042 2.006 2.074 0.074 4 0 "[ . 1]" 3
4 1 6 U O4 1 18 A N6 2.830 2.630 3.030 2.985 2.942 3.054 0.024 5 0 "[ . 1]" 3
5 1 7 U N3 1 17 A N1 2.950 2.750 3.150 2.752 2.716 2.810 0.034 3 0 "[ . 1]" 3
6 1 7 U H3 1 17 A N1 1.930 . 2.130 1.774 1.739 1.833 . 0 0 "[ . 1]" 3
7 1 7 U O4 1 17 A H61 1.800 . 2.000 2.081 2.050 2.117 0.117 3 0 "[ . 1]" 3
8 1 7 U O4 1 17 A N6 2.830 2.630 3.030 3.083 3.048 3.124 0.094 3 0 "[ . 1]" 3
9 1 8 U N3 1 16 A N1 2.950 2.750 3.150 2.816 2.785 2.881 . 0 0 "[ . 1]" 3
10 1 8 U H3 1 16 A N1 1.930 . 2.130 1.818 1.779 1.893 . 0 0 "[ . 1]" 3
11 1 8 U O4 1 16 A H61 1.800 . 2.000 2.037 2.002 2.066 0.066 9 0 "[ . 1]" 3
12 1 8 U O4 1 16 A N6 2.830 2.630 3.030 3.045 3.011 3.074 0.044 9 0 "[ . 1]" 3
13 1 9 A N1 1 15 U N3 2.950 2.750 3.150 2.988 2.904 3.062 . 0 0 "[ . 1]" 3
14 1 9 A N1 1 15 U H3 1.930 . 2.130 1.996 1.901 2.063 . 0 0 "[ . 1]" 3
15 1 9 A H61 1 15 U O4 1.800 . 2.000 2.005 1.902 2.035 0.035 10 0 "[ . 1]" 3
16 1 9 A N6 1 15 U O4 2.830 2.630 3.030 3.005 2.894 3.042 0.012 10 0 "[ . 1]" 3
17 1 10 G N1 1 14 C N3 2.950 2.750 3.150 2.884 2.840 2.913 . 0 0 "[ . 1]" 3
18 1 10 G H1 1 14 C N3 1.890 . 2.090 1.913 1.837 1.969 . 0 0 "[ . 1]" 3
19 1 10 G H22 1 14 C O2 2.080 . 2.280 1.844 1.801 1.886 0.079 8 0 "[ . 1]" 3
20 1 10 G N2 1 14 C O2 3.080 2.880 3.280 2.771 2.741 2.806 0.139 6 0 "[ . 1]" 3
21 1 10 G O6 1 14 C H41 1.710 . 1.910 1.983 1.939 2.026 0.116 6 0 "[ . 1]" 3
22 1 10 G O6 1 14 C N4 2.720 2.520 2.920 2.923 2.890 2.960 0.040 6 0 "[ . 1]" 3
23 1 5 G N1 1 19 C N3 2.950 2.750 3.150 2.938 2.905 2.992 . 0 0 "[ . 1]" 3
24 1 5 G H1 1 19 C N3 1.890 . 2.090 2.002 1.927 2.093 0.003 5 0 "[ . 1]" 3
25 1 5 G H22 1 19 C O2 2.080 . 2.280 1.993 1.908 2.113 . 0 0 "[ . 1]" 3
26 1 5 G N2 1 19 C O2 3.080 2.880 3.280 2.964 2.880 3.054 . 0 0 "[ . 1]" 3
27 1 5 G O6 1 19 C H41 1.710 . 1.910 1.880 1.771 1.943 0.033 10 0 "[ . 1]" 3
28 1 5 G O6 1 19 C N4 2.720 2.520 2.920 2.836 2.759 2.894 . 0 0 "[ . 1]" 3
stop_
save_
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