NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
476747 |
2krz   |
16655 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2krz
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 307
_Distance_constraint_stats_list.Viol_count 344
_Distance_constraint_stats_list.Viol_total 178.069
_Distance_constraint_stats_list.Viol_max 0.339
_Distance_constraint_stats_list.Viol_rms 0.0270
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0058
_Distance_constraint_stats_list.Viol_average_violations_only 0.0518
_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 PSU 0.578 0.047 5 0 "[ . 1]"
1 2 C 1.063 0.094 5 0 "[ . 1]"
1 3 G 0.278 0.029 5 0 "[ . 1]"
1 4 G 0.469 0.179 5 0 "[ . 1]"
1 5 G 0.310 0.029 10 0 "[ . 1]"
1 6 C 0.178 0.033 3 0 "[ . 1]"
1 7 C 1.578 0.088 6 0 "[ . 1]"
1 8 C 1.472 0.082 6 0 "[ . 1]"
1 9 A 9.397 0.339 5 0 "[ . 1]"
1 10 U 8.194 0.339 5 0 "[ . 1]"
1 11 A 3.525 0.144 10 0 "[ . 1]"
1 12 C 1.104 0.077 1 0 "[ . 1]"
1 13 C 0.528 0.077 1 0 "[ . 1]"
1 14 C 1.642 0.123 9 0 "[ . 1]"
1 15 C 1.526 0.123 9 0 "[ . 1]"
1 16 G 0.228 0.038 9 0 "[ . 1]"
1 17 A 0.033 0.014 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 PSU H1' 1 1 PSU H5'' 6.000 3.000 6.000 5.196 5.134 5.231 . 0 0 "[ . 1]" 1
2 1 1 PSU H1' 1 1 PSU H5' 6.000 3.000 6.000 4.594 4.490 4.721 . 0 0 "[ . 1]" 1
3 1 1 PSU H3' 1 1 PSU H5' 4.000 . 4.000 3.674 3.591 3.738 . 0 0 "[ . 1]" 1
4 1 1 PSU H2' 1 1 PSU H3' 3.000 . 3.000 2.406 2.387 2.416 . 0 0 "[ . 1]" 1
5 1 1 PSU H3' 1 1 PSU H6 4.000 . 4.000 2.944 2.509 3.382 . 0 0 "[ . 1]" 1
6 1 1 PSU H3' 1 1 PSU H4' 4.000 . 4.000 3.001 2.990 3.007 . 0 0 "[ . 1]" 1
7 1 1 PSU H4' 1 1 PSU H5' 4.000 . 4.000 2.503 2.370 2.616 . 0 0 "[ . 1]" 1
8 1 1 PSU H5' 1 1 PSU H5'' 3.000 . 3.000 1.775 1.774 1.776 0.026 1 0 "[ . 1]" 1
9 1 1 PSU H2' 1 1 PSU H6 5.000 . 5.000 3.898 3.542 4.215 . 0 0 "[ . 1]" 1
10 1 1 PSU H4' 1 1 PSU H6 5.000 3.000 5.000 4.015 3.970 4.118 . 0 0 "[ . 1]" 1
11 1 1 PSU H1' 1 1 PSU H6 6.000 3.000 6.000 3.494 3.354 3.603 . 0 0 "[ . 1]" 1
12 1 1 PSU H5'' 1 1 PSU H6 6.000 4.000 6.000 3.995 3.966 4.070 0.034 10 0 "[ . 1]" 1
13 1 1 PSU H5' 1 1 PSU H6 6.000 3.000 6.000 3.263 3.102 3.697 . 0 0 "[ . 1]" 1
14 1 1 PSU H2' 1 2 C H6 3.200 . 3.200 2.377 2.105 2.925 . 0 0 "[ . 1]" 1
15 1 1 PSU H3' 1 2 C H6 6.000 3.000 6.000 3.060 2.953 3.353 0.047 5 0 "[ . 1]" 1
16 1 1 PSU H2' 1 2 C H5 5.000 3.000 5.000 3.706 3.017 4.445 . 0 0 "[ . 1]" 1
17 1 1 PSU H3' 1 2 C H5 4.000 . 4.000 3.186 2.859 3.470 . 0 0 "[ . 1]" 1
18 1 1 PSU H6 1 2 C H5 5.000 3.000 5.000 3.968 3.383 4.519 . 0 0 "[ . 1]" 1
19 1 1 PSU H6 1 2 C H6 6.000 3.000 6.000 4.956 4.515 5.795 . 0 0 "[ . 1]" 1
20 1 1 PSU H1' 1 2 C H6 6.000 3.000 6.000 5.056 4.690 5.591 . 0 0 "[ . 1]" 1
21 1 1 PSU H2' 1 2 C H1' 6.000 3.000 6.000 4.505 3.726 5.277 . 0 0 "[ . 1]" 1
22 1 2 C H1' 1 2 C H2' 3.000 . 3.000 2.799 2.779 2.820 . 0 0 "[ . 1]" 1
23 1 2 C H1' 1 2 C H4' 5.000 . 5.000 3.434 3.335 3.502 . 0 0 "[ . 1]" 1
24 1 2 C H1' 1 2 C H5 6.000 3.000 6.000 5.283 5.213 5.375 . 0 0 "[ . 1]" 1
25 1 2 C H1' 1 2 C H6 5.000 . 5.000 3.524 3.419 3.676 . 0 0 "[ . 1]" 1
26 1 2 C H2' 1 2 C H6 6.000 3.000 6.000 3.882 3.373 4.132 . 0 0 "[ . 1]" 1
27 1 2 C H5 1 2 C H6 3.000 . 3.000 2.436 2.434 2.437 . 0 0 "[ . 1]" 1
28 1 2 C H5' 1 2 C H5'' 3.000 . 3.000 1.777 1.775 1.778 0.025 8 0 "[ . 1]" 1
29 1 2 C H5' 1 2 C H6 6.000 3.000 6.000 3.224 2.983 3.598 0.017 1 0 "[ . 1]" 1
30 1 2 C H5'' 1 2 C H6 6.000 4.000 6.000 3.961 3.906 4.079 0.094 5 0 "[ . 1]" 1
31 1 2 C H3' 1 2 C H6 5.000 . 5.000 2.921 2.376 3.326 . 0 0 "[ . 1]" 1
32 1 2 C H3' 1 2 C H5 6.000 3.000 6.000 4.732 4.474 4.991 . 0 0 "[ . 1]" 1
33 1 2 C H2' 1 3 G H8 3.200 . 3.200 2.258 2.145 2.394 . 0 0 "[ . 1]" 1
34 1 2 C H1' 1 3 G H8 5.000 3.000 5.000 5.000 4.939 5.027 0.027 4 0 "[ . 1]" 1
35 1 2 C H1' 1 17 A H2 5.000 . 5.000 3.993 3.304 4.809 . 0 0 "[ . 1]" 1
36 1 2 C H6 1 3 G H8 6.000 3.000 6.000 5.107 4.076 5.588 . 0 0 "[ . 1]" 1
37 1 2 C H3' 1 3 G H8 5.000 . 5.000 3.082 2.579 3.602 . 0 0 "[ . 1]" 1
38 1 2 C H4' 1 3 G H8 6.000 3.000 6.000 5.467 5.128 5.906 . 0 0 "[ . 1]" 1
39 1 2 C H2' 1 3 G H1' 6.000 3.000 6.000 4.327 3.344 4.925 . 0 0 "[ . 1]" 1
40 1 3 G H1' 1 3 G H2' 3.000 . 3.000 2.795 2.770 2.816 . 0 0 "[ . 1]" 1
41 1 3 G H2' 1 3 G H3' 3.000 . 3.000 2.408 2.400 2.422 . 0 0 "[ . 1]" 1
42 1 3 G H1' 1 3 G H8 5.000 . 5.000 3.772 3.725 3.819 . 0 0 "[ . 1]" 1
43 1 3 G H5'' 1 3 G H8 6.000 4.000 6.000 4.093 3.976 4.359 0.024 3 0 "[ . 1]" 1
44 1 3 G H2' 1 3 G H8 5.000 3.000 5.000 3.821 3.664 3.979 . 0 0 "[ . 1]" 1
45 1 3 G H3' 1 3 G H8 5.000 . 5.000 2.737 2.499 3.023 . 0 0 "[ . 1]" 1
46 1 3 G H5' 1 3 G H8 6.000 3.000 6.000 3.461 3.235 3.958 . 0 0 "[ . 1]" 1
47 1 3 G H2' 1 4 G H8 3.200 . 3.200 2.257 2.027 2.412 . 0 0 "[ . 1]" 1
48 1 3 G H1' 1 4 G H8 5.000 . 5.000 4.896 4.642 5.029 0.029 5 0 "[ . 1]" 1
49 1 3 G H8 1 4 G H8 6.000 3.000 6.000 4.473 3.985 5.720 . 0 0 "[ . 1]" 1
50 1 3 G H3' 1 4 G H8 5.000 . 5.000 2.894 2.433 3.653 . 0 0 "[ . 1]" 1
51 1 4 G H1' 1 4 G H2' 3.000 . 3.000 2.813 2.792 2.839 . 0 0 "[ . 1]" 1
52 1 4 G H2' 1 4 G H8 5.000 . 5.000 3.988 3.715 4.145 . 0 0 "[ . 1]" 1
53 1 4 G H1' 1 4 G H3' 5.000 . 5.000 3.852 3.825 3.884 . 0 0 "[ . 1]" 1
54 1 4 G H2' 1 4 G H3' 3.000 . 3.000 2.412 2.400 2.422 . 0 0 "[ . 1]" 1
55 1 4 G H3' 1 4 G H8 4.000 . 4.000 3.046 2.790 3.168 . 0 0 "[ . 1]" 1
56 1 4 G H4' 1 4 G H8 6.000 3.000 6.000 4.357 4.241 4.409 . 0 0 "[ . 1]" 1
57 1 4 G H1' 1 4 G H4' 5.000 . 5.000 3.329 3.257 3.443 . 0 0 "[ . 1]" 1
58 1 4 G H1' 1 4 G H8 5.000 . 5.000 3.705 3.649 3.787 . 0 0 "[ . 1]" 1
59 1 4 G H5' 1 4 G H8 6.000 4.000 6.000 4.010 3.821 4.137 0.179 5 0 "[ . 1]" 1
60 1 4 G H1' 1 5 G H8 5.000 3.000 5.000 4.822 4.450 5.014 0.014 7 0 "[ . 1]" 1
61 1 4 G H2' 1 5 G H8 3.200 . 3.200 2.133 1.999 2.332 0.001 2 0 "[ . 1]" 1
62 1 4 G H3' 1 5 G H8 5.000 . 5.000 3.170 2.512 3.634 . 0 0 "[ . 1]" 1
63 1 4 G H8 1 5 G H8 6.000 3.000 6.000 4.970 3.821 5.654 . 0 0 "[ . 1]" 1
64 1 4 G H2' 1 5 G H1' 6.000 3.000 6.000 4.229 3.669 4.670 . 0 0 "[ . 1]" 1
65 1 5 G H1' 1 5 G H2' 3.000 . 3.000 2.798 2.761 2.829 . 0 0 "[ . 1]" 1
66 1 5 G H1' 1 5 G H8 5.000 . 5.000 3.695 3.651 3.738 . 0 0 "[ . 1]" 1
67 1 5 G H2' 1 5 G H3' 3.000 . 3.000 2.413 2.404 2.421 . 0 0 "[ . 1]" 1
68 1 5 G H1' 1 5 G H3' 5.000 . 5.000 3.847 3.822 3.865 . 0 0 "[ . 1]" 1
69 1 5 G H3' 1 5 G H8 4.000 . 4.000 3.029 2.716 3.156 . 0 0 "[ . 1]" 1
70 1 5 G H5' 1 5 G H5'' 3.000 . 3.000 1.776 1.775 1.777 0.025 1 0 "[ . 1]" 1
71 1 5 G H2' 1 5 G H8 5.000 3.000 5.000 4.033 3.945 4.153 . 0 0 "[ . 1]" 1
72 1 5 G H5' 1 5 G H8 6.000 3.000 6.000 3.746 3.390 4.132 . 0 0 "[ . 1]" 1
73 1 5 G H1' 1 5 G H4' 6.000 3.000 6.000 3.389 3.239 3.532 . 0 0 "[ . 1]" 1
74 1 5 G H1' 1 6 C H6 6.000 3.000 6.000 4.384 4.229 4.467 . 0 0 "[ . 1]" 1
75 1 5 G H2' 1 6 C H5 5.000 . 5.000 3.871 3.762 4.010 . 0 0 "[ . 1]" 1
76 1 5 G H2' 1 6 C H6 3.200 . 3.200 2.085 2.011 2.181 . 0 0 "[ . 1]" 1
77 1 5 G H3' 1 6 C H5 5.000 3.000 5.000 3.510 3.084 3.861 . 0 0 "[ . 1]" 1
78 1 5 G H8 1 6 C H6 6.000 3.000 6.000 4.218 4.020 4.333 . 0 0 "[ . 1]" 1
79 1 5 G H8 1 6 C H5 6.000 3.000 6.000 3.143 2.971 3.390 0.029 10 0 "[ . 1]" 1
80 1 5 G H3' 1 6 C H6 5.000 . 5.000 3.043 2.786 3.386 . 0 0 "[ . 1]" 1
81 1 5 G H4' 1 6 C H6 6.000 3.000 6.000 5.497 5.323 5.678 . 0 0 "[ . 1]" 1
82 1 5 G H2' 1 6 C H1' 6.000 3.000 6.000 4.527 4.358 4.807 . 0 0 "[ . 1]" 1
83 1 6 C H1' 1 6 C H2' 3.000 . 3.000 2.831 2.808 2.854 . 0 0 "[ . 1]" 1
84 1 6 C H1' 1 6 C H4' 5.000 . 5.000 3.290 3.198 3.382 . 0 0 "[ . 1]" 1
85 1 6 C H2' 1 6 C H3' 3.000 . 3.000 2.401 2.394 2.412 . 0 0 "[ . 1]" 1
86 1 6 C H1' 1 6 C H6 5.000 3.000 5.000 3.418 3.345 3.484 . 0 0 "[ . 1]" 1
87 1 6 C H2' 1 6 C H5 6.000 3.000 6.000 5.465 5.370 5.567 . 0 0 "[ . 1]" 1
88 1 6 C H1' 1 6 C H3' 4.000 . 4.000 3.871 3.846 3.887 . 0 0 "[ . 1]" 1
89 1 6 C H4' 1 6 C H6 6.000 3.000 6.000 4.169 4.086 4.224 . 0 0 "[ . 1]" 1
90 1 6 C H2' 1 6 C H6 5.000 . 5.000 4.083 3.965 4.199 . 0 0 "[ . 1]" 1
91 1 6 C H3' 1 6 C H6 4.000 . 4.000 3.344 3.084 3.593 . 0 0 "[ . 1]" 1
92 1 6 C H5 1 6 C H6 3.000 . 3.000 2.430 2.427 2.433 . 0 0 "[ . 1]" 1
93 1 6 C H3' 1 7 C H5 5.000 . 5.000 2.906 2.585 3.070 . 0 0 "[ . 1]" 1
94 1 6 C H3' 1 7 C H6 4.000 . 4.000 2.112 2.034 2.286 . 0 0 "[ . 1]" 1
95 1 6 C H2' 1 7 C H5 5.000 . 5.000 4.459 4.076 4.630 . 0 0 "[ . 1]" 1
96 1 6 C H2' 1 7 C H6 3.200 . 3.200 2.424 2.276 2.608 . 0 0 "[ . 1]" 1
97 1 6 C H5 1 7 C H5 5.000 . 5.000 4.208 3.761 4.676 . 0 0 "[ . 1]" 1
98 1 6 C H1' 1 7 C H6 6.000 3.000 6.000 4.741 4.504 5.169 . 0 0 "[ . 1]" 1
99 1 6 C H6 1 7 C H5 6.000 3.000 6.000 3.892 3.588 4.500 . 0 0 "[ . 1]" 1
100 1 6 C H6 1 7 C H6 6.000 3.000 6.000 4.132 3.711 4.954 . 0 0 "[ . 1]" 1
101 1 6 C H2' 1 7 C H1' 5.000 3.000 5.000 3.753 3.147 4.031 . 0 0 "[ . 1]" 1
102 1 6 C H1' 1 7 C H5 6.000 3.000 6.000 6.010 5.984 6.033 0.033 3 0 "[ . 1]" 1
103 1 7 C H1' 1 7 C H6 5.000 . 5.000 3.368 3.265 3.573 . 0 0 "[ . 1]" 1
104 1 7 C H2' 1 7 C H6 5.000 . 5.000 4.171 3.785 4.360 . 0 0 "[ . 1]" 1
105 1 7 C H3' 1 7 C H6 4.000 . 4.000 3.471 2.799 3.773 . 0 0 "[ . 1]" 1
106 1 7 C H5 1 7 C H6 3.000 . 3.000 2.435 2.433 2.437 . 0 0 "[ . 1]" 1
107 1 7 C H5' 1 7 C H6 5.000 . 5.000 3.567 3.317 3.755 . 0 0 "[ . 1]" 1
108 1 7 C H2' 1 8 C H5 6.000 3.000 6.000 5.962 5.674 6.027 0.027 9 0 "[ . 1]" 1
109 1 7 C H1' 1 9 A H8 5.000 3.000 5.000 5.062 5.031 5.088 0.088 6 0 "[ . 1]" 1
110 1 7 C H2' 1 9 A H8 5.000 . 5.000 4.351 3.825 4.562 . 0 0 "[ . 1]" 1
111 1 8 C H1' 1 8 C H2' 3.000 . 3.000 2.872 2.834 2.951 . 0 0 "[ . 1]" 1
112 1 8 C H1' 1 8 C H3' 5.000 3.000 5.000 3.942 3.936 3.959 . 0 0 "[ . 1]" 1
113 1 8 C H1' 1 8 C H4' 5.000 . 5.000 3.238 2.982 3.377 . 0 0 "[ . 1]" 1
114 1 8 C H1' 1 8 C H6 5.000 . 5.000 3.640 3.607 3.666 . 0 0 "[ . 1]" 1
115 1 8 C H2' 1 8 C H5 6.000 3.000 6.000 4.989 4.908 5.126 . 0 0 "[ . 1]" 1
116 1 8 C H2' 1 8 C H6 4.000 . 4.000 3.363 3.244 3.549 . 0 0 "[ . 1]" 1
117 1 8 C H3' 1 8 C H6 4.000 . 4.000 2.759 2.499 3.306 . 0 0 "[ . 1]" 1
118 1 8 C H1' 1 8 C H5 6.000 3.000 6.000 5.360 5.338 5.378 . 0 0 "[ . 1]" 1
119 1 8 C H5 1 8 C H6 3.000 . 3.000 2.439 2.437 2.440 . 0 0 "[ . 1]" 1
120 1 8 C H5' 1 8 C H5'' 3.000 . 3.000 1.776 1.775 1.777 0.025 5 0 "[ . 1]" 1
121 1 8 C H5' 1 8 C H6 6.000 3.000 6.000 3.424 2.979 3.698 0.021 6 0 "[ . 1]" 1
122 1 8 C H5'' 1 8 C H6 6.000 3.000 6.000 4.249 4.026 4.634 . 0 0 "[ . 1]" 1
123 1 8 C H1' 1 9 A H8 6.000 3.000 6.000 5.737 5.608 5.800 . 0 0 "[ . 1]" 1
124 1 8 C H2' 1 9 A H1' 5.000 3.000 5.000 4.019 3.842 4.112 . 0 0 "[ . 1]" 1
125 1 8 C H2' 1 9 A H8 3.000 . 3.000 2.941 2.717 3.018 0.018 2 0 "[ . 1]" 1
126 1 8 C H6 1 9 A H8 5.000 3.000 5.000 4.529 4.362 4.777 . 0 0 "[ . 1]" 1
127 1 8 C H3' 1 9 A H8 4.000 . 4.000 3.226 2.938 3.309 . 0 0 "[ . 1]" 1
128 1 8 C H1' 1 9 A H1' 6.000 3.000 6.000 6.015 5.948 6.054 0.054 6 0 "[ . 1]" 1
129 1 8 C H2' 1 9 A H3' 4.000 . 4.000 3.992 3.838 4.043 0.043 8 0 "[ . 1]" 1
130 1 9 A H1' 1 9 A H2' 3.000 . 3.000 2.781 2.775 2.796 . 0 0 "[ . 1]" 1
131 1 9 A H1' 1 9 A H3' 5.000 . 5.000 3.816 3.790 3.830 . 0 0 "[ . 1]" 1
132 1 9 A H1' 1 9 A H4' 5.000 . 5.000 3.408 3.327 3.461 . 0 0 "[ . 1]" 1
133 1 9 A H1' 1 9 A H8 5.000 . 5.000 3.866 3.855 3.878 . 0 0 "[ . 1]" 1
134 1 9 A H2' 1 9 A H3' 4.000 . 4.000 2.430 2.426 2.437 . 0 0 "[ . 1]" 1
135 1 9 A H2' 1 9 A H8 5.000 . 5.000 3.227 3.167 3.280 . 0 0 "[ . 1]" 1
136 1 9 A H3' 1 9 A H4' 5.000 3.000 5.000 3.012 3.005 3.019 . 0 0 "[ . 1]" 1
137 1 9 A H3' 1 9 A H8 4.000 . 4.000 1.971 1.943 1.985 0.057 4 0 "[ . 1]" 1
138 1 9 A H5' 1 9 A H5'' 3.000 . 3.000 1.776 1.776 1.777 0.024 9 0 "[ . 1]" 1
139 1 9 A H5' 1 9 A H8 6.000 3.000 6.000 3.941 3.889 4.009 . 0 0 "[ . 1]" 1
140 1 9 A H5'' 1 9 A H8 6.000 3.000 6.000 4.227 4.090 4.565 . 0 0 "[ . 1]" 1
141 1 9 A H1' 1 9 A H2 6.000 3.000 6.000 4.527 4.498 4.545 . 0 0 "[ . 1]" 1
142 1 9 A H8 1 10 U H6 6.000 3.000 6.000 6.315 6.263 6.339 0.339 5 0 "[ . 1]" 1
143 1 9 A H2' 1 10 U H6 6.000 4.000 6.000 3.871 3.817 3.908 0.183 3 0 "[ . 1]" 1
144 1 9 A H2 1 11 A H1' 4.000 . 4.000 4.047 4.013 4.078 0.078 7 0 "[ . 1]" 1
145 1 9 A H2 1 11 A H8 5.000 3.000 5.000 5.064 5.036 5.086 0.086 3 0 "[ . 1]" 1
146 1 9 A H2 1 11 A H2 6.000 3.000 6.000 5.306 5.214 5.472 . 0 0 "[ . 1]" 1
147 1 10 U H1' 1 10 U H4' 5.000 . 5.000 3.417 3.397 3.453 . 0 0 "[ . 1]" 1
148 1 10 U H1' 1 10 U H2' 5.000 . 5.000 3.067 3.063 3.073 . 0 0 "[ . 1]" 1
149 1 10 U H1' 1 10 U H3' 6.000 3.000 6.000 3.906 3.885 3.923 . 0 0 "[ . 1]" 1
150 1 10 U H1' 1 10 U H5 6.000 3.000 6.000 5.410 5.408 5.412 . 0 0 "[ . 1]" 1
151 1 10 U H2' 1 10 U H5 6.000 3.000 6.000 4.363 4.352 4.383 . 0 0 "[ . 1]" 1
152 1 10 U H5 1 10 U H6 3.000 . 3.000 2.413 2.412 2.414 . 0 0 "[ . 1]" 1
153 1 10 U H1' 1 10 U H6 5.000 3.000 5.000 3.690 3.687 3.694 . 0 0 "[ . 1]" 1
154 1 10 U H3' 1 10 U H6 5.000 . 5.000 4.053 4.004 4.107 . 0 0 "[ . 1]" 1
155 1 10 U H5' 1 10 U H6 6.000 3.000 6.000 3.945 3.913 3.986 . 0 0 "[ . 1]" 1
156 1 10 U H5'' 1 10 U H6 6.000 3.000 6.000 3.547 3.425 3.610 . 0 0 "[ . 1]" 1
157 1 10 U H2' 1 10 U H6 5.000 . 5.000 2.368 2.342 2.392 . 0 0 "[ . 1]" 1
158 1 10 U H6 1 11 A H8 6.000 3.000 6.000 6.134 6.117 6.144 0.144 10 0 "[ . 1]" 1
159 1 10 U H3' 1 11 A H8 5.000 . 5.000 2.440 2.389 2.498 . 0 0 "[ . 1]" 1
160 1 10 U H2' 1 11 A H8 5.000 3.000 5.000 4.404 4.332 4.482 . 0 0 "[ . 1]" 1
161 1 11 A H1' 1 11 A H2' 5.000 . 5.000 2.741 2.735 2.750 . 0 0 "[ . 1]" 1
162 1 11 A H1' 1 11 A H4' 4.000 . 4.000 3.680 3.645 3.713 . 0 0 "[ . 1]" 1
163 1 11 A H1' 1 11 A H8 5.000 . 5.000 3.427 3.410 3.447 . 0 0 "[ . 1]" 1
164 1 11 A H2' 1 11 A H3' 5.000 . 5.000 2.407 2.400 2.418 . 0 0 "[ . 1]" 1
165 1 11 A H3' 1 11 A H8 4.000 . 4.000 3.801 3.676 3.868 . 0 0 "[ . 1]" 1
166 1 11 A H5' 1 11 A H5'' 3.000 . 3.000 1.775 1.774 1.776 0.026 1 0 "[ . 1]" 1
167 1 11 A H2' 1 11 A H8 5.000 3.000 5.000 4.540 4.530 4.551 . 0 0 "[ . 1]" 1
168 1 11 A H5'' 1 11 A H8 6.000 3.000 6.000 4.053 3.970 4.165 . 0 0 "[ . 1]" 1
169 1 11 A H5' 1 11 A H8 6.000 3.000 6.000 3.694 3.646 3.760 . 0 0 "[ . 1]" 1
170 1 11 A H2 1 12 C H1' 3.000 . 3.000 3.002 2.886 3.058 0.058 1 0 "[ . 1]" 1
171 1 11 A H2' 1 12 C H5 5.000 . 5.000 4.157 4.044 4.300 . 0 0 "[ . 1]" 1
172 1 11 A H3' 1 12 C H5 4.000 . 4.000 2.533 2.368 2.695 . 0 0 "[ . 1]" 1
173 1 11 A H8 1 12 C H5 5.000 3.000 5.000 3.645 3.309 3.922 . 0 0 "[ . 1]" 1
174 1 11 A H1' 1 12 C H6 6.000 3.000 6.000 4.953 4.853 5.093 . 0 0 "[ . 1]" 1
175 1 11 A H2' 1 12 C H6 4.000 . 4.000 2.712 2.552 2.845 . 0 0 "[ . 1]" 1
176 1 11 A H3' 1 12 C H6 5.000 . 5.000 2.286 2.147 2.422 . 0 0 "[ . 1]" 1
177 1 11 A H8 1 12 C H6 6.000 3.000 6.000 4.973 4.809 5.090 . 0 0 "[ . 1]" 1
178 1 11 A H1' 1 12 C H5 6.000 3.000 6.000 5.292 5.094 5.529 . 0 0 "[ . 1]" 1
179 1 12 C H1' 1 12 C H2' 4.000 . 4.000 2.782 2.762 2.794 . 0 0 "[ . 1]" 1
180 1 12 C H1' 1 12 C H3' 6.000 3.000 6.000 3.864 3.830 3.900 . 0 0 "[ . 1]" 1
181 1 12 C H1' 1 12 C H6 6.000 3.000 6.000 3.518 3.476 3.541 . 0 0 "[ . 1]" 1
182 1 12 C H3' 1 12 C H5 6.000 3.000 6.000 4.655 4.521 4.792 . 0 0 "[ . 1]" 1
183 1 12 C H3' 1 12 C H6 4.000 . 4.000 2.929 2.817 3.073 . 0 0 "[ . 1]" 1
184 1 12 C H1' 1 12 C H4' 4.000 . 4.000 3.498 3.442 3.572 . 0 0 "[ . 1]" 1
185 1 12 C H4' 1 12 C H6 6.000 3.000 6.000 3.925 3.885 3.948 . 0 0 "[ . 1]" 1
186 1 12 C H2' 1 12 C H6 6.000 3.000 6.000 3.981 3.930 4.103 . 0 0 "[ . 1]" 1
187 1 12 C H5 1 12 C H6 3.000 . 3.000 2.441 2.440 2.441 . 0 0 "[ . 1]" 1
188 1 12 C H1' 1 13 C H6 6.000 3.000 6.000 4.822 4.719 5.088 . 0 0 "[ . 1]" 1
189 1 12 C H2' 1 13 C H6 3.200 . 3.200 2.242 2.092 2.511 . 0 0 "[ . 1]" 1
190 1 12 C H3' 1 13 C H6 5.000 . 5.000 2.358 2.208 2.524 . 0 0 "[ . 1]" 1
191 1 12 C H4' 1 13 C H6 5.000 3.000 5.000 5.034 4.954 5.077 0.077 1 0 "[ . 1]" 1
192 1 12 C H6 1 13 C H6 6.000 3.000 6.000 4.513 4.225 4.741 . 0 0 "[ . 1]" 1
193 1 12 C H1' 1 13 C H1' 6.000 3.000 6.000 5.468 5.186 5.819 . 0 0 "[ . 1]" 1
194 1 12 C H1' 1 13 C H5 6.000 3.000 6.000 5.849 5.562 6.010 0.010 3 0 "[ . 1]" 1
195 1 12 C H2' 1 13 C H5 5.000 3.000 5.000 4.051 3.733 4.303 . 0 0 "[ . 1]" 1
196 1 12 C H3' 1 13 C H5 5.000 . 5.000 2.723 2.612 2.880 . 0 0 "[ . 1]" 1
197 1 12 C H6 1 13 C H5 6.000 3.000 6.000 3.860 3.616 4.166 . 0 0 "[ . 1]" 1
198 1 12 C H2' 1 13 C H1' 6.000 3.000 6.000 3.585 3.259 3.813 . 0 0 "[ . 1]" 1
199 1 13 C H1' 1 13 C H2' 3.000 . 3.000 2.784 2.770 2.801 . 0 0 "[ . 1]" 1
200 1 13 C H1' 1 13 C H3' 5.000 3.000 5.000 3.857 3.831 3.881 . 0 0 "[ . 1]" 1
201 1 13 C H1' 1 13 C H6 5.000 . 5.000 3.524 3.473 3.608 . 0 0 "[ . 1]" 1
202 1 13 C H4' 1 13 C H6 6.000 3.000 6.000 3.935 3.903 3.997 . 0 0 "[ . 1]" 1
203 1 13 C H2' 1 13 C H6 6.000 3.000 6.000 3.946 3.700 4.063 . 0 0 "[ . 1]" 1
204 1 13 C H5' 1 13 C H6 6.000 3.000 6.000 3.211 3.097 3.323 . 0 0 "[ . 1]" 1
205 1 13 C H3' 1 13 C H6 4.000 . 4.000 2.875 2.630 3.101 . 0 0 "[ . 1]" 1
206 1 13 C H5 1 13 C H6 3.000 . 3.000 2.437 2.434 2.439 . 0 0 "[ . 1]" 1
207 1 13 C H2' 1 14 C H6 3.200 . 3.200 2.195 2.091 2.266 . 0 0 "[ . 1]" 1
208 1 13 C H3' 1 14 C H5 5.000 . 5.000 3.052 2.489 3.302 . 0 0 "[ . 1]" 1
209 1 13 C H3' 1 14 C H6 5.000 . 5.000 2.847 2.598 3.106 . 0 0 "[ . 1]" 1
210 1 13 C H1' 1 14 C H6 5.000 3.000 5.000 4.920 4.821 5.012 0.012 2 0 "[ . 1]" 1
211 1 13 C H2' 1 14 C H5 5.000 . 5.000 3.567 2.943 4.031 . 0 0 "[ . 1]" 1
212 1 13 C H6 1 14 C H6 6.000 3.000 6.000 4.979 4.593 5.236 . 0 0 "[ . 1]" 1
213 1 13 C H5 1 14 C H6 6.000 3.000 6.000 5.888 5.525 6.039 0.039 4 0 "[ . 1]" 1
214 1 13 C H5 1 14 C H5 6.000 3.000 6.000 4.142 3.697 4.582 . 0 0 "[ . 1]" 1
215 1 14 C H1' 1 14 C H2' 3.000 . 3.000 2.794 2.773 2.811 . 0 0 "[ . 1]" 1
216 1 14 C H1' 1 14 C H4' 4.000 . 4.000 3.406 3.341 3.468 . 0 0 "[ . 1]" 1
217 1 14 C H5 1 14 C H6 3.000 . 3.000 2.435 2.432 2.439 . 0 0 "[ . 1]" 1
218 1 14 C H5' 1 14 C H6 6.000 3.000 6.000 3.234 2.991 3.442 0.009 4 0 "[ . 1]" 1
219 1 14 C H5'' 1 14 C H6 6.000 4.000 6.000 3.956 3.923 3.982 0.077 8 0 "[ . 1]" 1
220 1 14 C H1' 1 14 C H6 5.000 3.000 5.000 3.552 3.488 3.623 . 0 0 "[ . 1]" 1
221 1 14 C H3' 1 14 C H6 5.000 . 5.000 2.785 2.515 2.940 . 0 0 "[ . 1]" 1
222 1 14 C H4' 1 14 C H6 6.000 3.000 6.000 3.988 3.950 4.016 . 0 0 "[ . 1]" 1
223 1 14 C H2' 1 15 C H5 5.000 . 5.000 3.326 2.982 3.969 . 0 0 "[ . 1]" 1
224 1 14 C H3' 1 15 C H5 5.000 . 5.000 2.896 2.494 3.243 . 0 0 "[ . 1]" 1
225 1 14 C H1' 1 15 C H6 5.000 3.000 5.000 4.852 4.662 5.009 0.009 6 0 "[ . 1]" 1
226 1 14 C H2' 1 15 C H6 3.200 . 3.200 2.104 2.004 2.246 . 0 0 "[ . 1]" 1
227 1 14 C H6 1 15 C H6 6.000 3.000 6.000 4.841 4.508 5.089 . 0 0 "[ . 1]" 1
228 1 14 C H3' 1 15 C H6 5.000 . 5.000 2.737 2.607 2.857 . 0 0 "[ . 1]" 1
229 1 14 C H5 1 15 C H6 6.000 3.000 6.000 5.852 5.555 6.033 0.033 4 0 "[ . 1]" 1
230 1 14 C H4' 1 15 C H6 5.000 3.000 5.000 5.087 5.041 5.123 0.123 9 0 "[ . 1]" 1
231 1 14 C H2' 1 15 C H1' 6.000 3.000 6.000 3.876 3.334 4.281 . 0 0 "[ . 1]" 1
232 1 15 C H1' 1 15 C H2' 3.000 . 3.000 2.801 2.794 2.807 . 0 0 "[ . 1]" 1
233 1 15 C H1' 1 15 C H3' 5.000 3.000 5.000 3.855 3.836 3.878 . 0 0 "[ . 1]" 1
234 1 15 C H1' 1 15 C H4' 5.000 3.000 5.000 3.395 3.369 3.412 . 0 0 "[ . 1]" 1
235 1 15 C H1' 1 15 C H5' 6.000 3.000 6.000 4.604 4.547 4.695 . 0 0 "[ . 1]" 1
236 1 15 C H1' 1 15 C H6 5.000 3.000 5.000 3.547 3.490 3.594 . 0 0 "[ . 1]" 1
237 1 15 C H3' 1 15 C H5 5.000 3.000 5.000 4.676 4.554 4.847 . 0 0 "[ . 1]" 1
238 1 15 C H5 1 15 C H6 3.000 . 3.000 2.437 2.435 2.441 . 0 0 "[ . 1]" 1
239 1 15 C H5' 1 15 C H6 6.000 3.000 6.000 3.339 3.188 3.530 . 0 0 "[ . 1]" 1
240 1 15 C H5'' 1 15 C H6 6.000 4.000 6.000 3.972 3.938 4.055 0.062 10 0 "[ . 1]" 1
241 1 15 C H3' 1 15 C H6 4.000 . 4.000 2.874 2.711 3.094 . 0 0 "[ . 1]" 1
242 1 15 C H1' 1 16 G H8 5.000 3.000 5.000 4.971 4.797 5.028 0.028 6 0 "[ . 1]" 1
243 1 15 C H2' 1 16 G H8 3.200 . 3.200 2.280 2.186 2.383 . 0 0 "[ . 1]" 1
244 1 15 C H3' 1 16 G H8 5.000 . 5.000 2.957 2.462 3.385 . 0 0 "[ . 1]" 1
245 1 15 C H6 1 16 G H8 6.000 3.000 6.000 4.856 4.520 5.284 . 0 0 "[ . 1]" 1
246 1 15 C H4' 1 16 G H8 6.000 3.000 6.000 5.455 5.114 5.797 . 0 0 "[ . 1]" 1
247 1 15 C H2' 1 16 G H1' 6.000 3.000 6.000 3.684 3.384 4.261 . 0 0 "[ . 1]" 1
248 1 15 C H3' 1 16 G H1' 6.000 3.000 6.000 5.876 5.619 6.038 0.038 9 0 "[ . 1]" 1
249 1 16 G H1' 1 16 G H2' 3.000 . 3.000 2.823 2.796 2.852 . 0 0 "[ . 1]" 1
250 1 16 G H2' 1 16 G H3' 3.000 . 3.000 2.404 2.396 2.412 . 0 0 "[ . 1]" 1
251 1 16 G H1' 1 16 G H4' 5.000 3.000 5.000 3.318 3.202 3.422 . 0 0 "[ . 1]" 1
252 1 16 G H1' 1 16 G H8 5.000 . 5.000 3.720 3.614 3.797 . 0 0 "[ . 1]" 1
253 1 16 G H2' 1 16 G H8 5.000 . 5.000 3.912 3.714 4.194 . 0 0 "[ . 1]" 1
254 1 16 G H3' 1 16 G H8 4.000 . 4.000 3.028 2.620 3.410 . 0 0 "[ . 1]" 1
255 1 16 G H5' 1 16 G H8 6.000 3.000 6.000 3.910 3.497 4.114 . 0 0 "[ . 1]" 1
256 1 16 G H5'' 1 16 G H8 6.000 4.000 6.000 4.240 4.026 4.417 . 0 0 "[ . 1]" 1
257 1 16 G H1' 1 17 A H8 6.000 3.000 6.000 5.133 4.947 5.523 . 0 0 "[ . 1]" 1
258 1 16 G H2' 1 17 A H1' 5.000 3.000 5.000 4.367 3.496 5.014 0.014 5 0 "[ . 1]" 1
259 1 16 G H2' 1 17 A H8 3.200 . 3.200 2.406 2.210 2.722 . 0 0 "[ . 1]" 1
260 1 16 G H8 1 17 A H8 6.000 3.000 6.000 5.399 4.334 6.014 0.014 8 0 "[ . 1]" 1
261 1 16 G H3' 1 17 A H8 5.000 . 5.000 3.509 3.031 3.926 . 0 0 "[ . 1]" 1
262 1 16 G H4' 1 17 A H8 6.000 3.000 6.000 5.681 5.505 5.859 . 0 0 "[ . 1]" 1
263 1 17 A H1' 1 17 A H2 6.000 3.000 6.000 4.607 4.535 4.732 . 0 0 "[ . 1]" 1
264 1 17 A H1' 1 17 A H2' 3.000 . 3.000 2.804 2.790 2.851 . 0 0 "[ . 1]" 1
265 1 17 A H1' 1 17 A H3' 5.000 3.000 5.000 3.871 3.856 3.879 . 0 0 "[ . 1]" 1
266 1 17 A H1' 1 17 A H8 5.000 3.000 5.000 3.803 3.722 3.846 . 0 0 "[ . 1]" 1
267 1 17 A H2' 1 17 A H8 4.000 . 4.000 3.708 3.543 4.004 0.004 8 0 "[ . 1]" 1
268 1 17 A H3' 1 17 A H8 4.000 . 4.000 2.674 2.419 3.199 . 0 0 "[ . 1]" 1
269 1 17 A H1' 1 17 A H4' 4.000 . 4.000 3.417 3.207 3.492 . 0 0 "[ . 1]" 1
270 1 17 A H4' 1 17 A H8 5.000 3.000 5.000 4.269 4.191 4.469 . 0 0 "[ . 1]" 1
271 1 17 A H5' 1 17 A H8 6.000 3.000 6.000 3.672 3.262 4.180 . 0 0 "[ . 1]" 1
272 1 2 C H41 1 16 G H1 3.000 . 3.000 2.402 2.016 2.799 . 0 0 "[ . 1]" 1
273 1 3 G H1 1 15 C H41 3.000 . 3.000 2.821 2.338 3.011 0.011 8 0 "[ . 1]" 1
274 1 3 G H1 1 15 C H42 6.000 3.000 6.000 4.285 3.870 4.462 . 0 0 "[ . 1]" 1
275 1 4 G H1 1 14 C H41 3.000 . 3.000 2.725 2.072 3.058 0.058 5 0 "[ . 1]" 1
276 1 4 G H1 1 14 C H42 6.000 3.000 6.000 4.184 3.568 4.544 . 0 0 "[ . 1]" 1
277 1 5 G H1 1 13 C H41 3.000 . 3.000 2.579 2.052 2.969 . 0 0 "[ . 1]" 1
278 1 5 G H1 1 13 C H42 6.000 3.000 6.000 4.125 3.660 4.451 . 0 0 "[ . 1]" 1
279 1 3 G H1 1 4 G H1 5.500 2.500 5.500 4.085 3.441 4.649 . 0 0 "[ . 1]" 1
280 1 4 G H1 1 5 G H1 5.500 2.500 5.500 4.692 3.732 5.511 0.011 7 0 "[ . 1]" 1
281 1 3 G H1 1 16 G H1 5.500 2.500 5.500 4.169 3.735 5.143 . 0 0 "[ . 1]" 1
282 1 9 A H4' 1 10 U H6 5.000 5.000 17.000 5.897 5.798 5.974 . 0 0 "[ . 1]" 1
283 1 9 A H4' 1 10 U H5 5.000 5.000 17.000 6.264 6.085 6.372 . 0 0 "[ . 1]" 1
284 1 9 A H3' 1 10 U H6 5.000 5.000 17.000 4.775 4.745 4.797 0.255 6 0 "[ . 1]" 1
285 1 9 A H3' 1 10 U H5 5.000 5.000 17.000 6.211 6.155 6.252 . 0 0 "[ . 1]" 1
286 1 9 A H2' 1 10 U H5 5.000 5.000 17.000 5.484 5.374 5.586 . 0 0 "[ . 1]" 1
287 1 9 A H1' 1 10 U H6 5.000 5.000 17.000 6.362 6.289 6.413 . 0 0 "[ . 1]" 1
288 1 9 A H1' 1 10 U H2' 5.000 5.000 17.000 6.684 6.500 6.826 . 0 0 "[ . 1]" 1
289 1 9 A H2 1 10 U H2' 5.000 5.000 17.000 8.078 7.911 8.266 . 0 0 "[ . 1]" 1
290 1 9 A H2 1 10 U H3' 5.000 5.000 17.000 6.908 6.823 7.068 . 0 0 "[ . 1]" 1
291 1 7 C H1' 1 10 U H5 8.000 6.000 17.000 11.075 10.935 11.194 . 0 0 "[ . 1]" 1
292 1 7 C H1' 1 10 U H6 8.000 6.000 17.000 8.800 8.707 8.970 . 0 0 "[ . 1]" 1
293 1 7 C H5 1 10 U H5 8.000 6.000 17.000 13.869 12.184 14.336 . 0 0 "[ . 1]" 1
294 1 9 A H2 1 10 U H5 5.000 5.000 17.000 10.545 10.204 10.787 . 0 0 "[ . 1]" 1
295 1 7 C H2' 1 8 C H6 4.500 4.500 16.500 5.049 4.900 5.156 . 0 0 "[ . 1]" 1
296 1 7 C H1' 1 8 C H3' 5.000 5.000 17.000 6.003 5.898 6.184 . 0 0 "[ . 1]" 1
297 1 10 U H1' 1 11 A H3' 5.000 5.000 17.000 7.629 7.568 7.711 . 0 0 "[ . 1]" 1
298 1 10 U H1' 1 11 A H8 5.000 5.000 17.000 6.248 6.170 6.357 . 0 0 "[ . 1]" 1
299 1 11 A H2' 1 12 C H1' 5.000 5.000 17.000 4.951 4.937 4.970 0.063 6 0 "[ . 1]" 1
300 1 9 A H2' 1 11 A H8 4.000 4.000 16.000 4.549 4.342 4.760 . 0 0 "[ . 1]" 1
301 1 10 U H4' 1 11 A H8 4.000 4.000 16.000 4.637 4.606 4.733 . 0 0 "[ . 1]" 1
302 1 9 A H2' 1 11 A H1' 5.000 5.000 17.000 5.756 5.652 5.855 . 0 0 "[ . 1]" 1
303 1 7 C H1' 1 10 U H4' 5.000 5.000 17.000 5.068 4.984 5.399 0.016 3 0 "[ . 1]" 1
304 1 7 C H3' 1 8 C H5 5.000 5.000 17.000 6.396 6.186 7.017 . 0 0 "[ . 1]" 1
305 1 7 C H3' 1 8 C H6 5.000 5.000 17.000 5.634 5.532 5.936 . 0 0 "[ . 1]" 1
306 1 7 C H4' 1 8 C H6 5.000 5.000 17.000 4.936 4.918 4.970 0.082 6 0 "[ . 1]" 1
307 1 10 U H3' 1 11 A H1' 5.000 5.000 17.000 5.011 4.958 5.115 0.042 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 24
_Distance_constraint_stats_list.Viol_count 51
_Distance_constraint_stats_list.Viol_total 12.291
_Distance_constraint_stats_list.Viol_max 0.073
_Distance_constraint_stats_list.Viol_rms 0.0122
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0051
_Distance_constraint_stats_list.Viol_average_violations_only 0.0241
_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 0.266 0.038 1 0 "[ . 1]"
1 3 G 0.392 0.073 9 0 "[ . 1]"
1 4 G 0.239 0.056 10 0 "[ . 1]"
1 5 G 0.332 0.046 10 0 "[ . 1]"
1 13 C 0.332 0.046 10 0 "[ . 1]"
1 14 C 0.239 0.056 10 0 "[ . 1]"
1 15 C 0.392 0.073 9 0 "[ . 1]"
1 16 G 0.266 0.038 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 2 C N3 1 16 G H1 1.850 . 2.050 1.919 1.841 1.997 . 0 0 "[ . 1]" 2
2 1 2 C N3 1 16 G N1 2.910 2.660 3.160 2.916 2.835 2.986 . 0 0 "[ . 1]" 2
3 1 2 C O2 1 16 G H22 1.980 . 2.180 2.055 1.842 2.199 0.019 6 0 "[ . 1]" 2
4 1 2 C O2 1 16 G N2 2.900 2.650 3.150 3.012 2.839 3.163 0.013 5 0 "[ . 1]" 2
5 1 2 C H41 1 16 G O6 1.670 . 1.870 1.892 1.869 1.908 0.038 1 0 "[ . 1]" 2
6 1 2 C N4 1 16 G O6 2.900 2.650 3.150 2.845 2.791 2.888 . 0 0 "[ . 1]" 2
7 1 3 G H1 1 15 C N3 1.850 . 2.050 1.929 1.848 1.980 . 0 0 "[ . 1]" 2
8 1 3 G N1 1 15 C N3 2.910 2.660 3.160 2.899 2.853 2.938 . 0 0 "[ . 1]" 2
9 1 3 G H22 1 15 C O2 1.980 . 2.180 1.895 1.793 2.028 . 0 0 "[ . 1]" 2
10 1 3 G N2 1 15 C O2 2.900 2.650 3.150 2.858 2.763 3.013 . 0 0 "[ . 1]" 2
11 1 3 G O6 1 15 C H41 1.670 . 1.870 1.909 1.892 1.943 0.073 9 0 "[ . 1]" 2
12 1 3 G O6 1 15 C N4 2.900 2.650 3.150 2.869 2.836 2.956 . 0 0 "[ . 1]" 2
13 1 4 G H1 1 14 C N3 1.850 . 2.050 1.954 1.807 2.066 0.016 5 0 "[ . 1]" 2
14 1 4 G N1 1 14 C N3 2.910 2.660 3.160 2.914 2.776 3.016 . 0 0 "[ . 1]" 2
15 1 4 G H22 1 14 C O2 1.980 . 2.180 2.050 1.883 2.205 0.025 10 0 "[ . 1]" 2
16 1 4 G N2 1 14 C O2 2.900 2.650 3.150 2.984 2.859 3.130 . 0 0 "[ . 1]" 2
17 1 4 G O6 1 14 C H41 1.670 . 1.870 1.870 1.729 1.926 0.056 10 0 "[ . 1]" 2
18 1 4 G O6 1 14 C N4 2.900 2.650 3.150 2.838 2.710 2.891 . 0 0 "[ . 1]" 2
19 1 5 G H1 1 13 C N3 1.850 . 2.050 2.059 2.032 2.081 0.031 9 0 "[ . 1]" 2
20 1 5 G N1 1 13 C N3 2.910 2.660 3.160 3.022 2.900 3.067 . 0 0 "[ . 1]" 2
21 1 5 G H22 1 13 C O2 1.980 . 2.180 2.103 1.894 2.180 0.000 5 0 "[ . 1]" 2
22 1 5 G N2 1 13 C O2 2.900 2.650 3.150 3.087 2.826 3.174 0.024 5 0 "[ . 1]" 2
23 1 5 G O6 1 13 C H41 1.670 . 1.870 1.880 1.833 1.916 0.046 10 0 "[ . 1]" 2
24 1 5 G O6 1 13 C N4 2.900 2.650 3.150 2.874 2.832 2.929 . 0 0 "[ . 1]" 2
stop_
save_
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