NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
474846 |
2kyd   |
16980 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kyd
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 296
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 G 0.000 0.000 . 0 "[ . 1 . 2]"
2 1 C 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 U 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 A 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 G 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 U 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 U 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 A 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 G 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 C 0.000 0.000 . 0 "[ . 1 . 2]"
2 10 U 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 A 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 A 0.000 0.000 . 0 "[ . 1 . 2]"
2 13 C 0.000 0.000 . 0 "[ . 1 . 2]"
2 14 U 0.000 0.000 . 0 "[ . 1 . 2]"
2 15 A 0.000 0.000 . 0 "[ . 1 . 2]"
2 16 G 0.000 0.000 . 0 "[ . 1 . 2]"
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 C H2' 1 1 C H6 4.000 . 4.500 3.704 3.690 3.738 . 0 0 "[ . 1 . 2]" 1
2 1 1 C H3' 1 1 C H6 3.000 . 3.500 2.469 2.457 2.486 . 0 0 "[ . 1 . 2]" 1
3 1 1 C H3' 1 1 C H5'' 3.300 . 3.800 3.012 2.580 3.116 . 0 0 "[ . 1 . 2]" 1
4 1 1 C H4' 1 1 C H5' 2.700 . 3.200 2.487 2.467 2.567 . 0 0 "[ . 1 . 2]" 1
5 1 1 C H4' 1 1 C H5'' 2.700 . 3.200 2.518 2.397 3.000 . 0 0 "[ . 1 . 2]" 1
6 1 1 C H6 1 2 U H5 5.000 . 5.500 4.036 4.022 4.072 . 0 0 "[ . 1 . 2]" 1
7 1 1 C H2' 1 2 U H6 2.700 . 3.200 2.249 2.235 2.294 . 0 0 "[ . 1 . 2]" 1
8 1 1 C H3' 1 2 U H6 3.300 . 3.800 3.385 3.373 3.390 . 0 0 "[ . 1 . 2]" 1
9 1 2 U H2' 1 2 U H6 4.000 . 4.500 3.745 3.738 3.752 . 0 0 "[ . 1 . 2]" 1
10 1 2 U H3' 1 2 U H6 3.000 . 3.500 2.507 2.494 2.515 . 0 0 "[ . 1 . 2]" 1
11 1 2 U H3' 1 2 U H5'' 3.300 . 3.800 3.061 3.057 3.068 . 0 0 "[ . 1 . 2]" 1
12 1 2 U H4' 1 2 U H5' 2.700 . 3.200 2.453 2.450 2.455 . 0 0 "[ . 1 . 2]" 1
13 1 2 U H4' 1 2 U H5'' 2.700 . 3.200 2.437 2.431 2.440 . 0 0 "[ . 1 . 2]" 1
14 1 2 U H6 1 3 A H8 5.000 . 5.500 4.566 4.558 4.573 . 0 0 "[ . 1 . 2]" 1
15 1 2 U H2' 1 3 A H8 2.700 . 3.200 2.192 2.180 2.211 . 0 0 "[ . 1 . 2]" 1
16 1 2 U H3' 1 3 A H8 3.300 . 3.800 3.293 3.286 3.303 . 0 0 "[ . 1 . 2]" 1
17 1 3 A H2' 1 3 A H8 4.000 . 4.500 3.957 3.935 3.971 . 0 0 "[ . 1 . 2]" 1
18 1 3 A H3' 1 3 A H8 3.000 . 3.500 2.715 2.686 2.733 . 0 0 "[ . 1 . 2]" 1
19 1 3 A H3' 1 3 A H5'' 3.300 . 3.800 3.001 2.992 3.010 . 0 0 "[ . 1 . 2]" 1
20 1 3 A H4' 1 3 A H5' 2.700 . 3.200 2.418 2.411 2.425 . 0 0 "[ . 1 . 2]" 1
21 1 3 A H4' 1 3 A H5'' 2.700 . 3.200 2.460 2.457 2.461 . 0 0 "[ . 1 . 2]" 1
22 1 3 A H8 1 4 G H8 5.000 . 5.500 4.734 4.697 4.755 . 0 0 "[ . 1 . 2]" 1
23 1 3 A H2 1 4 G H8 5.000 . 5.500 5.032 5.027 5.038 . 0 0 "[ . 1 . 2]" 1
24 1 3 A H2' 1 4 G H8 2.700 . 3.200 2.211 2.166 2.241 . 0 0 "[ . 1 . 2]" 1
25 1 3 A H3' 1 4 G H8 3.300 . 3.800 3.324 3.319 3.331 . 0 0 "[ . 1 . 2]" 1
26 1 3 A H2 1 4 G H1' 5.000 . 5.500 3.694 3.663 3.722 . 0 0 "[ . 1 . 2]" 1
27 1 3 A H2 2 15 A H1' 5.000 . 5.500 3.940 3.924 3.964 . 0 0 "[ . 1 . 2]" 1
28 1 3 A H1' 2 15 A H2 5.000 . 5.500 3.849 3.833 3.863 . 0 0 "[ . 1 . 2]" 1
29 1 3 A H2 2 15 A H2 5.000 . 5.500 3.973 3.955 3.986 . 0 0 "[ . 1 . 2]" 1
30 1 4 G H2' 1 4 G H8 4.000 . 4.500 4.014 4.002 4.025 . 0 0 "[ . 1 . 2]" 1
31 1 4 G H3' 1 4 G H8 3.000 . 3.500 2.891 2.873 2.909 . 0 0 "[ . 1 . 2]" 1
32 1 4 G H3' 1 4 G H5'' 3.300 . 3.800 2.964 2.950 2.989 . 0 0 "[ . 1 . 2]" 1
33 1 4 G H4' 1 4 G H5' 2.700 . 3.200 2.412 2.402 2.431 . 0 0 "[ . 1 . 2]" 1
34 1 4 G H4' 1 4 G H5'' 2.700 . 3.200 2.470 2.460 2.477 . 0 0 "[ . 1 . 2]" 1
35 1 4 G H8 1 5 U H5 5.000 . 5.500 4.369 4.342 4.386 . 0 0 "[ . 1 . 2]" 1
36 1 4 G H8 1 5 U H6 5.000 . 5.500 4.982 4.963 4.995 . 0 0 "[ . 1 . 2]" 1
37 1 4 G H2' 1 5 U H6 2.700 . 3.200 2.168 2.131 2.207 . 0 0 "[ . 1 . 2]" 1
38 1 4 G H3' 1 5 U H6 3.300 . 3.800 3.333 3.327 3.337 . 0 0 "[ . 1 . 2]" 1
39 1 4 G H1 1 5 U H3 5.000 . 5.500 3.521 3.511 3.535 . 0 0 "[ . 1 . 2]" 1
40 1 5 U H2' 1 5 U H6 4.000 . 4.500 3.888 3.854 3.899 . 0 0 "[ . 1 . 2]" 1
41 1 5 U H3' 1 5 U H6 3.000 . 3.500 2.708 2.668 2.725 . 0 0 "[ . 1 . 2]" 1
42 1 5 U H3' 1 5 U H5'' 3.300 . 3.800 2.990 2.984 3.000 . 0 0 "[ . 1 . 2]" 1
43 1 5 U H4' 1 5 U H5' 2.700 . 3.200 2.422 2.415 2.432 . 0 0 "[ . 1 . 2]" 1
44 1 5 U H4' 1 5 U H5'' 2.700 . 3.200 2.455 2.448 2.458 . 0 0 "[ . 1 . 2]" 1
45 1 5 U H6 1 6 U H6 5.000 . 5.500 4.979 4.945 4.994 . 0 0 "[ . 1 . 2]" 1
46 1 5 U H6 1 6 U H5 5.000 . 5.500 4.490 4.467 4.503 . 0 0 "[ . 1 . 2]" 1
47 1 5 U H2' 1 6 U H6 2.700 . 3.200 2.482 2.393 2.507 . 0 0 "[ . 1 . 2]" 1
48 1 5 U H3' 1 6 U H6 3.300 . 3.800 3.372 3.366 3.375 . 0 0 "[ . 1 . 2]" 1
49 1 5 U H3 1 6 U H3 5.000 . 5.500 3.834 3.812 3.844 . 0 0 "[ . 1 . 2]" 1
50 1 6 U H2' 1 6 U H6 4.000 . 4.500 3.720 3.711 3.728 . 0 0 "[ . 1 . 2]" 1
51 1 6 U H3' 1 6 U H6 3.000 . 3.500 2.473 2.463 2.485 . 0 0 "[ . 1 . 2]" 1
52 1 6 U H3' 1 6 U H5'' 3.300 . 3.800 3.032 3.026 3.044 . 0 0 "[ . 1 . 2]" 1
53 1 6 U H4' 1 6 U H5' 2.700 . 3.200 2.436 2.431 2.450 . 0 0 "[ . 1 . 2]" 1
54 1 6 U H4' 1 6 U H5'' 2.700 . 3.200 2.456 2.448 2.460 . 0 0 "[ . 1 . 2]" 1
55 1 6 U H2' 1 7 A H8 2.700 . 3.200 2.326 2.305 2.359 . 0 0 "[ . 1 . 2]" 1
56 1 6 U H3' 1 7 A H8 3.300 . 3.800 3.323 3.319 3.329 . 0 0 "[ . 1 . 2]" 1
57 1 6 U H1' 2 12 A H2 5.000 . 5.500 3.316 3.303 3.345 . 0 0 "[ . 1 . 2]" 1
58 1 7 A H2' 1 7 A H8 4.000 . 4.500 3.881 3.854 3.897 . 0 0 "[ . 1 . 2]" 1
59 1 7 A H3' 1 7 A H8 3.000 . 3.500 2.641 2.615 2.659 . 0 0 "[ . 1 . 2]" 1
60 1 7 A H3' 1 7 A H5'' 3.300 . 3.800 3.035 3.027 3.043 . 0 0 "[ . 1 . 2]" 1
61 1 7 A H4' 1 7 A H5' 2.700 . 3.200 2.434 2.429 2.440 . 0 0 "[ . 1 . 2]" 1
62 1 7 A H4' 1 7 A H5'' 2.700 . 3.200 2.449 2.447 2.451 . 0 0 "[ . 1 . 2]" 1
63 1 7 A H8 1 8 G H8 5.000 . 5.500 4.671 4.638 4.693 . 0 0 "[ . 1 . 2]" 1
64 1 7 A H2' 1 8 G H8 2.700 . 3.200 2.267 2.209 2.305 . 0 0 "[ . 1 . 2]" 1
65 1 7 A H3' 1 8 G H8 3.300 . 3.800 3.335 3.328 3.342 . 0 0 "[ . 1 . 2]" 1
66 1 7 A H2 1 8 G H1' 5.000 . 5.500 3.704 3.686 3.729 . 0 0 "[ . 1 . 2]" 1
67 1 7 A H2 2 11 A H1' 5.000 . 5.500 3.781 3.758 3.805 . 0 0 "[ . 1 . 2]" 1
68 1 7 A H1' 2 11 A H2 5.000 . 5.500 3.853 3.833 3.871 . 0 0 "[ . 1 . 2]" 1
69 1 7 A H2 2 11 A H2 5.000 . 5.500 3.860 3.833 3.882 . 0 0 "[ . 1 . 2]" 1
70 1 8 G H2' 1 8 G H8 4.000 . 4.500 3.992 3.985 4.001 . 0 0 "[ . 1 . 2]" 1
71 1 8 G H3' 1 8 G H8 3.000 . 3.500 2.900 2.891 2.908 . 0 0 "[ . 1 . 2]" 1
72 1 8 G H3' 1 8 G H5'' 3.300 . 3.800 2.919 2.906 2.941 . 0 0 "[ . 1 . 2]" 1
73 1 8 G H4' 1 8 G H5' 2.700 . 3.200 2.387 2.377 2.401 . 0 0 "[ . 1 . 2]" 1
74 1 8 G H4' 1 8 G H5'' 2.700 . 3.200 2.497 2.484 2.504 . 0 0 "[ . 1 . 2]" 1
75 1 8 G H8 1 9 C H6 5.000 . 5.500 4.990 4.976 5.001 . 0 0 "[ . 1 . 2]" 1
76 1 8 G H2' 1 9 C H6 3.300 . 3.800 2.382 2.366 2.393 . 0 0 "[ . 1 . 2]" 1
77 1 8 G H3' 1 9 C H6 3.300 . 3.800 3.336 3.332 3.340 . 0 0 "[ . 1 . 2]" 1
78 1 9 C H2' 1 9 C H6 4.000 . 4.500 3.816 3.805 3.826 . 0 0 "[ . 1 . 2]" 1
79 1 9 C H3' 1 9 C H6 3.000 . 3.500 2.567 2.554 2.580 . 0 0 "[ . 1 . 2]" 1
80 1 9 C H3' 1 9 C H5'' 3.300 . 3.800 2.982 2.978 2.988 . 0 0 "[ . 1 . 2]" 1
81 1 9 C H4' 1 9 C H5' 2.700 . 3.200 2.406 2.404 2.409 . 0 0 "[ . 1 . 2]" 1
82 1 9 C H4' 1 9 C H5'' 2.700 . 3.200 2.470 2.469 2.473 . 0 0 "[ . 1 . 2]" 1
83 1 9 C H6 1 10 U H6 5.000 . 5.500 4.886 4.863 4.906 . 0 0 "[ . 1 . 2]" 1
84 1 9 C H1' 1 10 U H6 5.000 . 5.500 4.912 4.905 4.930 . 0 0 "[ . 1 . 2]" 1
85 1 9 C H2' 1 10 U H6 2.700 . 3.200 2.283 2.275 2.306 . 0 0 "[ . 1 . 2]" 1
86 1 9 C H3' 1 10 U H6 3.300 . 3.800 3.364 3.361 3.369 . 0 0 "[ . 1 . 2]" 1
87 1 10 U H2' 1 10 U H6 4.000 . 4.500 3.815 3.794 3.824 . 0 0 "[ . 1 . 2]" 1
88 1 10 U H3' 1 10 U H6 3.000 . 3.500 2.570 2.552 2.579 . 0 0 "[ . 1 . 2]" 1
89 1 10 U H3' 1 10 U H5'' 3.300 . 3.800 3.085 3.080 3.094 . 0 0 "[ . 1 . 2]" 1
90 1 10 U H4' 1 10 U H5' 2.700 . 3.200 2.453 2.448 2.462 . 0 0 "[ . 1 . 2]" 1
91 1 10 U H4' 1 10 U H5'' 2.700 . 3.200 2.429 2.426 2.432 . 0 0 "[ . 1 . 2]" 1
92 1 10 U H6 1 11 A H8 5.000 . 5.500 4.714 4.703 4.725 . 0 0 "[ . 1 . 2]" 1
93 1 10 U H1' 1 11 A H8 5.000 . 5.500 4.858 4.802 4.882 . 0 0 "[ . 1 . 2]" 1
94 1 10 U H2' 1 11 A H8 2.700 . 3.200 2.294 2.226 2.322 . 0 0 "[ . 1 . 2]" 1
95 1 10 U H3' 1 11 A H8 3.300 . 3.800 3.342 3.336 3.352 . 0 0 "[ . 1 . 2]" 1
96 1 11 A H2' 1 11 A H8 4.000 . 4.500 3.907 3.902 3.911 . 0 0 "[ . 1 . 2]" 1
97 1 11 A H3' 1 11 A H8 3.000 . 3.500 2.690 2.683 2.700 . 0 0 "[ . 1 . 2]" 1
98 1 11 A H3' 1 11 A H5'' 3.300 . 3.800 2.989 2.979 3.004 . 0 0 "[ . 1 . 2]" 1
99 1 11 A H4' 1 11 A H5' 2.700 . 3.200 2.419 2.412 2.433 . 0 0 "[ . 1 . 2]" 1
100 1 11 A H4' 1 11 A H5'' 3.300 . 3.800 2.465 2.454 2.472 . 0 0 "[ . 1 . 2]" 1
101 1 11 A H8 1 12 A H8 5.000 . 5.500 4.759 4.742 4.770 . 0 0 "[ . 1 . 2]" 1
102 1 11 A H2' 1 12 A H8 5.000 . 5.500 2.184 2.175 2.202 . 0 0 "[ . 1 . 2]" 1
103 1 11 A H3' 1 12 A H8 3.300 . 3.800 3.303 3.299 3.306 . 0 0 "[ . 1 . 2]" 1
104 1 11 A H2 1 12 A H1' 5.000 . 5.500 3.795 3.772 3.828 . 0 0 "[ . 1 . 2]" 1
105 1 11 A H2 1 12 A H2 5.000 . 5.500 4.643 4.630 4.661 . 0 0 "[ . 1 . 2]" 1
106 1 11 A H2 2 7 A H1' 5.000 . 5.500 3.845 3.835 3.862 . 0 0 "[ . 1 . 2]" 1
107 1 12 A H2' 1 12 A H8 4.000 . 4.500 3.998 3.976 4.003 . 0 0 "[ . 1 . 2]" 1
108 1 12 A H3' 1 12 A H8 3.000 . 3.500 2.838 2.824 2.845 . 0 0 "[ . 1 . 2]" 1
109 1 12 A H3' 1 12 A H5'' 3.300 . 3.800 2.925 2.920 2.934 . 0 0 "[ . 1 . 2]" 1
110 1 12 A H4' 1 12 A H5' 2.700 . 3.200 2.392 2.390 2.400 . 0 0 "[ . 1 . 2]" 1
111 1 12 A H4' 1 12 A H5'' 2.700 . 3.200 2.495 2.494 2.497 . 0 0 "[ . 1 . 2]" 1
112 1 12 A H8 1 13 C H6 5.000 . 5.500 4.937 4.922 4.948 . 0 0 "[ . 1 . 2]" 1
113 1 12 A H1' 1 13 C H6 5.000 . 5.500 5.002 4.950 5.008 . 0 0 "[ . 1 . 2]" 1
114 1 12 A H2' 1 13 C H6 2.700 . 3.200 2.413 2.339 2.422 . 0 0 "[ . 1 . 2]" 1
115 1 12 A H3' 1 13 C H6 3.300 . 3.800 3.332 3.329 3.336 . 0 0 "[ . 1 . 2]" 1
116 1 12 A H2 1 13 C H1' 5.000 . 5.500 3.272 3.253 3.294 . 0 0 "[ . 1 . 2]" 1
117 1 12 A H2 2 6 U H1' 5.000 . 5.500 3.315 3.303 3.338 . 0 0 "[ . 1 . 2]" 1
118 1 13 C H2' 1 13 C H6 4.000 . 4.500 3.820 3.810 3.829 . 0 0 "[ . 1 . 2]" 1
119 1 13 C H3' 1 13 C H6 3.000 . 3.500 2.562 2.543 2.575 . 0 0 "[ . 1 . 2]" 1
120 1 13 C H3' 1 13 C H5'' 3.300 . 3.800 2.999 2.996 3.004 . 0 0 "[ . 1 . 2]" 1
121 1 13 C H4' 1 13 C H5' 2.700 . 3.200 2.407 2.404 2.417 . 0 0 "[ . 1 . 2]" 1
122 1 13 C H4' 1 13 C H5'' 2.700 . 3.200 2.464 2.458 2.467 . 0 0 "[ . 1 . 2]" 1
123 1 13 C H6 1 14 U H6 5.000 . 5.500 4.848 4.831 4.858 . 0 0 "[ . 1 . 2]" 1
124 1 13 C H1' 1 14 U H6 5.000 . 5.500 4.863 4.856 4.871 . 0 0 "[ . 1 . 2]" 1
125 1 13 C H2' 1 14 U H6 2.700 . 3.200 2.257 2.248 2.266 . 0 0 "[ . 1 . 2]" 1
126 1 13 C H3' 1 14 U H6 3.300 . 3.800 3.367 3.364 3.372 . 0 0 "[ . 1 . 2]" 1
127 1 14 U H2' 1 14 U H6 4.000 . 4.500 3.845 3.839 3.849 . 0 0 "[ . 1 . 2]" 1
128 1 14 U H3' 1 14 U H6 3.000 . 3.500 2.609 2.599 2.615 . 0 0 "[ . 1 . 2]" 1
129 1 14 U H3' 1 14 U H5'' 3.300 . 3.800 3.071 3.069 3.074 . 0 0 "[ . 1 . 2]" 1
130 1 14 U H4' 1 14 U H5' 2.700 . 3.200 2.448 2.445 2.449 . 0 0 "[ . 1 . 2]" 1
131 1 14 U H4' 1 14 U H5'' 2.700 . 3.200 2.431 2.428 2.434 . 0 0 "[ . 1 . 2]" 1
132 1 14 U H6 1 15 A H8 5.000 . 5.500 4.792 4.781 4.802 . 0 0 "[ . 1 . 2]" 1
133 1 14 U H1' 1 15 A H8 5.000 . 5.500 4.841 4.833 4.850 . 0 0 "[ . 1 . 2]" 1
134 1 14 U H2' 1 15 A H8 2.700 . 3.200 2.254 2.246 2.263 . 0 0 "[ . 1 . 2]" 1
135 1 14 U H3' 1 15 A H8 3.300 . 3.800 3.337 3.335 3.340 . 0 0 "[ . 1 . 2]" 1
136 1 15 A H2' 1 15 A H8 4.000 . 4.500 3.889 3.884 3.895 . 0 0 "[ . 1 . 2]" 1
137 1 15 A H3' 1 15 A H8 3.000 . 3.500 2.657 2.650 2.661 . 0 0 "[ . 1 . 2]" 1
138 1 15 A H3' 1 15 A H5'' 3.300 . 3.800 3.020 3.016 3.023 . 0 0 "[ . 1 . 2]" 1
139 1 15 A H4' 1 15 A H5' 2.700 . 3.200 2.434 2.433 2.436 . 0 0 "[ . 1 . 2]" 1
140 1 15 A H4' 1 15 A H5'' 2.700 . 3.200 2.441 2.439 2.444 . 0 0 "[ . 1 . 2]" 1
141 1 15 A H8 1 16 G H8 5.000 . 5.500 4.743 4.724 4.754 . 0 0 "[ . 1 . 2]" 1
142 1 15 A H1' 1 16 G H8 5.000 . 5.500 4.949 4.937 4.957 . 0 0 "[ . 1 . 2]" 1
143 1 15 A H2' 1 16 G H8 2.700 . 3.200 2.374 2.360 2.391 . 0 0 "[ . 1 . 2]" 1
144 1 15 A H3' 1 16 G H8 3.300 . 3.800 3.347 3.344 3.350 . 0 0 "[ . 1 . 2]" 1
145 1 15 A H2 1 16 G H1' 5.000 . 5.500 4.189 4.153 4.222 . 0 0 "[ . 1 . 2]" 1
146 1 15 A H2 2 3 A H1' 5.000 . 5.500 3.848 3.831 3.866 . 0 0 "[ . 1 . 2]" 1
147 1 15 A H2 2 3 A H2 5.000 . 5.500 3.973 3.958 3.984 . 0 0 "[ . 1 . 2]" 1
148 1 16 G H2' 1 16 G H8 4.000 . 4.500 3.823 3.818 3.829 . 0 0 "[ . 1 . 2]" 1
149 1 16 G H3' 1 16 G H8 3.000 . 3.500 2.778 2.757 2.792 . 0 0 "[ . 1 . 2]" 1
150 1 16 G H3' 1 16 G H5'' 3.300 . 3.800 2.952 2.947 2.964 . 0 0 "[ . 1 . 2]" 1
151 1 16 G H4' 1 16 G H5' 2.700 . 3.200 2.432 2.430 2.435 . 0 0 "[ . 1 . 2]" 1
152 1 16 G H4' 1 16 G H5'' 2.700 . 3.200 2.468 2.465 2.469 . 0 0 "[ . 1 . 2]" 1
153 2 1 C H2' 2 1 C H6 4.000 . 4.500 3.700 3.684 3.735 . 0 0 "[ . 1 . 2]" 1
154 2 1 C H3' 2 1 C H6 3.000 . 3.500 2.467 2.456 2.485 . 0 0 "[ . 1 . 2]" 1
155 2 1 C H3' 2 1 C H5'' 3.300 . 3.800 3.063 2.575 3.117 . 0 0 "[ . 1 . 2]" 1
156 2 1 C H4' 2 1 C H5' 2.700 . 3.200 2.478 2.468 2.565 . 0 0 "[ . 1 . 2]" 1
157 2 1 C H4' 2 1 C H5'' 2.700 . 3.200 2.458 2.395 3.002 . 0 0 "[ . 1 . 2]" 1
158 2 1 C H6 2 2 U H5 5.000 . 5.500 4.033 4.020 4.070 . 0 0 "[ . 1 . 2]" 1
159 2 1 C H2' 2 2 U H6 2.700 . 3.200 2.247 2.235 2.287 . 0 0 "[ . 1 . 2]" 1
160 2 1 C H3' 2 2 U H6 3.300 . 3.800 3.386 3.375 3.390 . 0 0 "[ . 1 . 2]" 1
161 2 2 U H2' 2 2 U H6 4.000 . 4.500 3.745 3.735 3.753 . 0 0 "[ . 1 . 2]" 1
162 2 2 U H3' 2 2 U H6 3.000 . 3.500 2.507 2.500 2.517 . 0 0 "[ . 1 . 2]" 1
163 2 2 U H3' 2 2 U H5'' 3.300 . 3.800 3.061 3.057 3.071 . 0 0 "[ . 1 . 2]" 1
164 2 2 U H4' 2 2 U H5' 2.700 . 3.200 2.453 2.451 2.454 . 0 0 "[ . 1 . 2]" 1
165 2 2 U H4' 2 2 U H5'' 2.700 . 3.200 2.437 2.431 2.440 . 0 0 "[ . 1 . 2]" 1
166 2 2 U H6 2 3 A H8 5.000 . 5.500 4.565 4.561 4.573 . 0 0 "[ . 1 . 2]" 1
167 2 2 U H2' 2 3 A H8 2.700 . 3.200 2.191 2.180 2.216 . 0 0 "[ . 1 . 2]" 1
168 2 2 U H3' 2 3 A H8 3.300 . 3.800 3.293 3.285 3.304 . 0 0 "[ . 1 . 2]" 1
169 2 3 A H2' 2 3 A H8 4.000 . 4.500 3.959 3.933 3.971 . 0 0 "[ . 1 . 2]" 1
170 2 3 A H3' 2 3 A H8 3.000 . 3.500 2.716 2.686 2.734 . 0 0 "[ . 1 . 2]" 1
171 2 3 A H3' 2 3 A H5'' 3.300 . 3.800 3.001 2.995 3.012 . 0 0 "[ . 1 . 2]" 1
172 2 3 A H4' 2 3 A H5' 2.700 . 3.200 2.418 2.414 2.426 . 0 0 "[ . 1 . 2]" 1
173 2 3 A H4' 2 3 A H5'' 2.700 . 3.200 2.460 2.458 2.462 . 0 0 "[ . 1 . 2]" 1
174 2 3 A H8 2 4 G H8 5.000 . 5.500 4.735 4.697 4.756 . 0 0 "[ . 1 . 2]" 1
175 2 3 A H2 2 4 G H8 5.000 . 5.500 5.032 5.026 5.040 . 0 0 "[ . 1 . 2]" 1
176 2 3 A H2' 2 4 G H8 2.700 . 3.200 2.214 2.166 2.244 . 0 0 "[ . 1 . 2]" 1
177 2 3 A H3' 2 4 G H8 3.300 . 3.800 3.324 3.320 3.329 . 0 0 "[ . 1 . 2]" 1
178 2 3 A H2 2 4 G H1' 5.000 . 5.500 3.694 3.666 3.718 . 0 0 "[ . 1 . 2]" 1
179 1 15 A H1' 2 3 A H2 5.000 . 5.500 3.939 3.925 3.965 . 0 0 "[ . 1 . 2]" 1
180 2 4 G H2' 2 4 G H8 4.000 . 4.500 4.016 4.002 4.022 . 0 0 "[ . 1 . 2]" 1
181 2 4 G H3' 2 4 G H8 3.000 . 3.500 2.892 2.873 2.904 . 0 0 "[ . 1 . 2]" 1
182 2 4 G H3' 2 4 G H5'' 3.300 . 3.800 2.964 2.950 2.986 . 0 0 "[ . 1 . 2]" 1
183 2 4 G H4' 2 4 G H5' 2.700 . 3.200 2.411 2.402 2.429 . 0 0 "[ . 1 . 2]" 1
184 2 4 G H4' 2 4 G H5'' 2.700 . 3.200 2.470 2.460 2.475 . 0 0 "[ . 1 . 2]" 1
185 2 4 G H8 2 5 U H5 5.000 . 5.500 4.372 4.351 4.388 . 0 0 "[ . 1 . 2]" 1
186 2 4 G H8 2 5 U H6 5.000 . 5.500 4.986 4.964 5.002 . 0 0 "[ . 1 . 2]" 1
187 2 4 G H2' 2 5 U H6 2.700 . 3.200 2.168 2.127 2.184 . 0 0 "[ . 1 . 2]" 1
188 2 4 G H3' 2 5 U H6 3.300 . 3.800 3.334 3.330 3.340 . 0 0 "[ . 1 . 2]" 1
189 2 4 G H1 2 5 U H3 5.000 . 5.500 3.522 3.501 3.535 . 0 0 "[ . 1 . 2]" 1
190 2 5 U H2' 2 5 U H6 4.000 . 4.500 3.892 3.879 3.898 . 0 0 "[ . 1 . 2]" 1
191 2 5 U H3' 2 5 U H6 3.000 . 3.500 2.711 2.692 2.722 . 0 0 "[ . 1 . 2]" 1
192 2 5 U H3' 2 5 U H5'' 3.300 . 3.800 2.989 2.982 2.999 . 0 0 "[ . 1 . 2]" 1
193 2 5 U H4' 2 5 U H5' 2.700 . 3.200 2.420 2.415 2.431 . 0 0 "[ . 1 . 2]" 1
194 2 5 U H4' 2 5 U H5'' 2.700 . 3.200 2.455 2.447 2.460 . 0 0 "[ . 1 . 2]" 1
195 2 5 U H6 2 6 U H6 5.000 . 5.500 4.982 4.966 4.992 . 0 0 "[ . 1 . 2]" 1
196 2 5 U H6 2 6 U H5 5.000 . 5.500 4.492 4.469 4.507 . 0 0 "[ . 1 . 2]" 1
197 2 5 U H2' 2 6 U H6 2.700 . 3.200 2.490 2.464 2.511 . 0 0 "[ . 1 . 2]" 1
198 2 5 U H3' 2 6 U H6 3.300 . 3.800 3.371 3.364 3.375 . 0 0 "[ . 1 . 2]" 1
199 2 5 U H3 2 6 U H3 5.000 . 5.500 3.836 3.819 3.847 . 0 0 "[ . 1 . 2]" 1
200 2 6 U H2' 2 6 U H6 4.000 . 4.500 3.722 3.714 3.729 . 0 0 "[ . 1 . 2]" 1
201 2 6 U H3' 2 6 U H6 3.000 . 3.500 2.471 2.460 2.485 . 0 0 "[ . 1 . 2]" 1
202 2 6 U H3' 2 6 U H5'' 3.300 . 3.800 3.031 3.024 3.037 . 0 0 "[ . 1 . 2]" 1
203 2 6 U H4' 2 6 U H5' 2.700 . 3.200 2.435 2.432 2.436 . 0 0 "[ . 1 . 2]" 1
204 2 6 U H4' 2 6 U H5'' 2.700 . 3.200 2.456 2.453 2.460 . 0 0 "[ . 1 . 2]" 1
205 2 6 U H2' 2 7 A H8 2.700 . 3.200 2.317 2.305 2.349 . 0 0 "[ . 1 . 2]" 1
206 2 6 U H3' 2 7 A H8 3.300 . 3.800 3.322 3.318 3.328 . 0 0 "[ . 1 . 2]" 1
207 2 7 A H2' 2 7 A H8 4.000 . 4.500 3.893 3.865 3.899 . 0 0 "[ . 1 . 2]" 1
208 2 7 A H3' 2 7 A H8 3.000 . 3.500 2.651 2.625 2.661 . 0 0 "[ . 1 . 2]" 1
209 2 7 A H3' 2 7 A H5'' 3.300 . 3.800 3.033 3.028 3.037 . 0 0 "[ . 1 . 2]" 1
210 2 7 A H4' 2 7 A H5' 2.700 . 3.200 2.431 2.428 2.436 . 0 0 "[ . 1 . 2]" 1
211 2 7 A H4' 2 7 A H5'' 2.700 . 3.200 2.449 2.448 2.453 . 0 0 "[ . 1 . 2]" 1
212 2 7 A H8 2 8 G H8 5.000 . 5.500 4.682 4.665 4.708 . 0 0 "[ . 1 . 2]" 1
213 2 7 A H2' 2 8 G H8 2.700 . 3.200 2.293 2.209 2.327 . 0 0 "[ . 1 . 2]" 1
214 2 7 A H3' 2 8 G H8 3.300 . 3.800 3.334 3.329 3.346 . 0 0 "[ . 1 . 2]" 1
215 2 7 A H2 2 8 G H1' 5.000 . 5.500 3.714 3.699 3.743 . 0 0 "[ . 1 . 2]" 1
216 1 11 A H1' 2 7 A H2 5.000 . 5.500 3.775 3.759 3.794 . 0 0 "[ . 1 . 2]" 1
217 1 11 A H2 2 7 A H2 5.000 . 5.500 3.858 3.827 3.876 . 0 0 "[ . 1 . 2]" 1
218 2 8 G H2' 2 8 G H8 4.000 . 4.500 3.992 3.962 4.000 . 0 0 "[ . 1 . 2]" 1
219 2 8 G H3' 2 8 G H8 3.000 . 3.500 2.903 2.891 2.911 . 0 0 "[ . 1 . 2]" 1
220 2 8 G H3' 2 8 G H5'' 3.300 . 3.800 2.911 2.903 2.936 . 0 0 "[ . 1 . 2]" 1
221 2 8 G H4' 2 8 G H5' 2.700 . 3.200 2.381 2.378 2.400 . 0 0 "[ . 1 . 2]" 1
222 2 8 G H4' 2 8 G H5'' 2.700 . 3.200 2.502 2.487 2.507 . 0 0 "[ . 1 . 2]" 1
223 2 8 G H8 2 9 C H6 5.000 . 5.500 4.997 4.979 5.002 . 0 0 "[ . 1 . 2]" 1
224 2 8 G H2' 2 9 C H6 2.700 . 3.200 2.376 2.287 2.396 . 0 0 "[ . 1 . 2]" 1
225 2 8 G H3' 2 9 C H6 3.300 . 3.800 3.338 3.333 3.342 . 0 0 "[ . 1 . 2]" 1
226 2 9 C H2' 2 9 C H6 4.000 . 4.500 3.817 3.799 3.829 . 0 0 "[ . 1 . 2]" 1
227 2 9 C H3' 2 9 C H6 3.000 . 3.500 2.569 2.556 2.585 . 0 0 "[ . 1 . 2]" 1
228 2 9 C H3' 2 9 C H5'' 3.300 . 3.800 2.982 2.976 2.989 . 0 0 "[ . 1 . 2]" 1
229 2 9 C H4' 2 9 C H5' 2.700 . 3.200 2.407 2.404 2.418 . 0 0 "[ . 1 . 2]" 1
230 2 9 C H4' 2 9 C H5'' 2.700 . 3.200 2.471 2.467 2.473 . 0 0 "[ . 1 . 2]" 1
231 2 9 C H6 2 10 U H6 5.000 . 5.500 4.888 4.867 4.907 . 0 0 "[ . 1 . 2]" 1
232 2 9 C H1' 2 10 U H6 5.000 . 5.500 4.909 4.904 4.924 . 0 0 "[ . 1 . 2]" 1
233 2 9 C H2' 2 10 U H6 2.700 . 3.200 2.279 2.273 2.296 . 0 0 "[ . 1 . 2]" 1
234 2 9 C H3' 2 10 U H6 3.300 . 3.800 3.362 3.355 3.369 . 0 0 "[ . 1 . 2]" 1
235 2 10 U H2' 2 10 U H6 4.000 . 4.500 3.821 3.797 3.826 . 0 0 "[ . 1 . 2]" 1
236 2 10 U H3' 2 10 U H6 3.000 . 3.500 2.575 2.558 2.583 . 0 0 "[ . 1 . 2]" 1
237 2 10 U H3' 2 10 U H5'' 3.300 . 3.800 3.084 3.078 3.091 . 0 0 "[ . 1 . 2]" 1
238 2 10 U H4' 2 10 U H5' 2.700 . 3.200 2.451 2.448 2.460 . 0 0 "[ . 1 . 2]" 1
239 2 10 U H4' 2 10 U H5'' 2.700 . 3.200 2.429 2.425 2.431 . 0 0 "[ . 1 . 2]" 1
240 2 10 U H6 2 11 A H8 5.000 . 5.500 4.719 4.707 4.734 . 0 0 "[ . 1 . 2]" 1
241 2 10 U H1' 2 11 A H8 5.000 . 5.500 4.869 4.815 4.883 . 0 0 "[ . 1 . 2]" 1
242 2 10 U H2' 2 11 A H8 2.700 . 3.200 2.307 2.235 2.320 . 0 0 "[ . 1 . 2]" 1
243 2 10 U H3' 2 11 A H8 3.300 . 3.800 3.341 3.338 3.350 . 0 0 "[ . 1 . 2]" 1
244 2 11 A H2' 2 11 A H8 4.000 . 4.500 3.907 3.900 3.911 . 0 0 "[ . 1 . 2]" 1
245 2 11 A H3' 2 11 A H8 3.000 . 3.500 2.690 2.682 2.700 . 0 0 "[ . 1 . 2]" 1
246 2 11 A H3' 2 11 A H5'' 3.300 . 3.800 2.984 2.976 3.004 . 0 0 "[ . 1 . 2]" 1
247 2 11 A H4' 2 11 A H5' 2.700 . 3.200 2.416 2.412 2.433 . 0 0 "[ . 1 . 2]" 1
248 2 11 A H4' 2 11 A H5'' 3.300 . 3.800 2.468 2.455 2.472 . 0 0 "[ . 1 . 2]" 1
249 2 11 A H8 2 12 A H8 5.000 . 5.500 4.758 4.745 4.779 . 0 0 "[ . 1 . 2]" 1
250 2 11 A H2' 2 12 A H8 5.000 . 5.500 2.184 2.173 2.209 . 0 0 "[ . 1 . 2]" 1
251 2 11 A H3' 2 12 A H8 3.300 . 3.800 3.303 3.296 3.307 . 0 0 "[ . 1 . 2]" 1
252 2 11 A H2 2 12 A H1' 5.000 . 5.500 3.796 3.764 3.821 . 0 0 "[ . 1 . 2]" 1
253 2 11 A H2 2 12 A H2 5.000 . 5.500 4.642 4.630 4.654 . 0 0 "[ . 1 . 2]" 1
254 2 12 A H2' 2 12 A H8 4.000 . 4.500 3.997 3.968 4.004 . 0 0 "[ . 1 . 2]" 1
255 2 12 A H3' 2 12 A H8 3.000 . 3.500 2.838 2.816 2.849 . 0 0 "[ . 1 . 2]" 1
256 2 12 A H3' 2 12 A H5'' 3.300 . 3.800 2.925 2.921 2.933 . 0 0 "[ . 1 . 2]" 1
257 2 12 A H4' 2 12 A H5' 2.700 . 3.200 2.392 2.389 2.402 . 0 0 "[ . 1 . 2]" 1
258 2 12 A H4' 2 12 A H5'' 2.700 . 3.200 2.496 2.494 2.498 . 0 0 "[ . 1 . 2]" 1
259 2 12 A H8 2 13 C H6 5.000 . 5.500 4.938 4.926 4.960 . 0 0 "[ . 1 . 2]" 1
260 2 12 A H2 2 13 C H1' 5.000 . 5.500 3.276 3.256 3.302 . 0 0 "[ . 1 . 2]" 1
261 2 12 A H1' 2 13 C H6 5.000 . 5.500 5.000 4.955 5.013 . 0 0 "[ . 1 . 2]" 1
262 2 12 A H2' 2 13 C H6 2.700 . 3.200 2.409 2.341 2.421 . 0 0 "[ . 1 . 2]" 1
263 2 12 A H3' 2 13 C H6 3.300 . 3.800 3.332 3.329 3.336 . 0 0 "[ . 1 . 2]" 1
264 2 13 C H2' 2 13 C H6 4.000 . 4.500 3.819 3.799 3.825 . 0 0 "[ . 1 . 2]" 1
265 2 13 C H3' 2 13 C H6 3.000 . 3.500 2.560 2.529 2.571 . 0 0 "[ . 1 . 2]" 1
266 2 13 C H3' 2 13 C H5'' 3.300 . 3.800 3.000 2.996 3.008 . 0 0 "[ . 1 . 2]" 1
267 2 13 C H4' 2 13 C H5' 2.700 . 3.200 2.408 2.404 2.421 . 0 0 "[ . 1 . 2]" 1
268 2 13 C H4' 2 13 C H5'' 2.700 . 3.200 2.463 2.456 2.466 . 0 0 "[ . 1 . 2]" 1
269 2 13 C H6 2 14 U H6 5.000 . 5.500 4.847 4.807 4.858 . 0 0 "[ . 1 . 2]" 1
270 2 13 C H1' 2 14 U H6 5.000 . 5.500 4.861 4.822 4.873 . 0 0 "[ . 1 . 2]" 1
271 2 13 C H2' 2 14 U H6 2.700 . 3.200 2.255 2.220 2.270 . 0 0 "[ . 1 . 2]" 1
272 2 13 C H3' 2 14 U H6 3.300 . 3.800 3.367 3.361 3.371 . 0 0 "[ . 1 . 2]" 1
273 2 14 U H2' 2 14 U H6 4.000 . 4.500 3.844 3.836 3.852 . 0 0 "[ . 1 . 2]" 1
274 2 14 U H3' 2 14 U H6 3.000 . 3.500 2.608 2.600 2.617 . 0 0 "[ . 1 . 2]" 1
275 2 14 U H3' 2 14 U H5'' 3.300 . 3.800 3.072 3.068 3.094 . 0 0 "[ . 1 . 2]" 1
276 2 14 U H4' 2 14 U H5' 2.700 . 3.200 2.450 2.447 2.467 . 0 0 "[ . 1 . 2]" 1
277 2 14 U H4' 2 14 U H5'' 2.700 . 3.200 2.430 2.418 2.433 . 0 0 "[ . 1 . 2]" 1
278 2 14 U H6 2 15 A H8 5.000 . 5.500 4.791 4.781 4.806 . 0 0 "[ . 1 . 2]" 1
279 2 14 U H1' 2 15 A H8 5.000 . 5.500 4.841 4.835 4.849 . 0 0 "[ . 1 . 2]" 1
280 2 14 U H2' 2 15 A H8 2.700 . 3.200 2.255 2.248 2.266 . 0 0 "[ . 1 . 2]" 1
281 2 14 U H3' 2 15 A H8 3.300 . 3.800 3.337 3.332 3.341 . 0 0 "[ . 1 . 2]" 1
282 2 15 A H2' 2 15 A H8 4.000 . 4.500 3.890 3.881 3.897 . 0 0 "[ . 1 . 2]" 1
283 2 15 A H3' 2 15 A H8 3.000 . 3.500 2.655 2.648 2.666 . 0 0 "[ . 1 . 2]" 1
284 2 15 A H3' 2 15 A H5'' 3.300 . 3.800 3.020 3.016 3.023 . 0 0 "[ . 1 . 2]" 1
285 2 15 A H4' 2 15 A H5' 2.700 . 3.200 2.434 2.432 2.436 . 0 0 "[ . 1 . 2]" 1
286 2 15 A H4' 2 15 A H5'' 2.700 . 3.200 2.441 2.440 2.444 . 0 0 "[ . 1 . 2]" 1
287 2 15 A H8 2 16 G H8 5.000 . 5.500 4.740 4.724 4.760 . 0 0 "[ . 1 . 2]" 1
288 2 15 A H1' 2 16 G H8 5.000 . 5.500 4.948 4.936 4.957 . 0 0 "[ . 1 . 2]" 1
289 2 15 A H2' 2 16 G H8 2.700 . 3.200 2.375 2.368 2.390 . 0 0 "[ . 1 . 2]" 1
290 2 15 A H3' 2 16 G H8 3.300 . 3.800 3.347 3.344 3.352 . 0 0 "[ . 1 . 2]" 1
291 2 15 A H2 2 16 G H1' 5.000 . 5.500 4.184 4.149 4.214 . 0 0 "[ . 1 . 2]" 1
292 2 16 G H2' 2 16 G H8 4.000 . 4.500 3.824 3.819 3.829 . 0 0 "[ . 1 . 2]" 1
293 2 16 G H3' 2 16 G H8 3.000 . 3.500 2.780 2.760 2.796 . 0 0 "[ . 1 . 2]" 1
294 2 16 G H3' 2 16 G H5'' 3.300 . 3.800 2.951 2.946 2.960 . 0 0 "[ . 1 . 2]" 1
295 2 16 G H4' 2 16 G H5' 2.700 . 3.200 2.431 2.428 2.434 . 0 0 "[ . 1 . 2]" 1
296 2 16 G H4' 2 16 G H5'' 2.700 . 3.200 2.467 2.465 2.470 . 0 0 "[ . 1 . 2]" 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 10
_Distance_constraint_stats_list.Viol_count 100
_Distance_constraint_stats_list.Viol_total 2.172
_Distance_constraint_stats_list.Viol_max 0.005
_Distance_constraint_stats_list.Viol_rms 0.0008
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0011
_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 C 0.085 0.005 4 0 "[ . 1 . 2]"
1 2 U 0.025 0.003 14 0 "[ . 1 . 2]"
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 C C1' 1 1 C C2' 1.530 . 2.030 1.531 1.530 1.533 0.000 12 0 "[ . 1 . 2]" 2
2 1 1 C C2' 1 1 C C3' 1.540 . 2.040 1.539 1.538 1.541 0.002 3 0 "[ . 1 . 2]" 2
3 1 1 C C3' 1 1 C C4' 1.530 . 2.030 1.531 1.530 1.532 . 0 0 "[ . 1 . 2]" 2
4 1 1 C C3' 1 1 C O3' 1.420 . 1.920 1.421 1.419 1.422 0.001 20 0 "[ . 1 . 2]" 2
5 1 1 C C4' 1 1 C O4' 1.430 . 1.930 1.429 1.428 1.430 0.002 17 0 "[ . 1 . 2]" 2
6 1 1 C C1' 1 1 C O4' 1.430 . 1.930 1.429 1.428 1.430 0.002 15 0 "[ . 1 . 2]" 2
7 1 1 C C4' 1 1 C C5' 1.540 . 2.040 1.539 1.535 1.541 0.005 4 0 "[ . 1 . 2]" 2
8 1 1 C C5' 1 1 C O5' 1.420 . 1.920 1.421 1.420 1.423 . 0 0 "[ . 1 . 2]" 2
9 1 2 U O5' 1 2 U P 1.610 . 2.110 1.609 1.607 1.610 0.003 14 0 "[ . 1 . 2]" 2
10 1 1 C O3' 1 2 U P 1.600 . 2.100 1.600 1.599 1.601 0.001 17 0 "[ . 1 . 2]" 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 76
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 G 0.000 0.000 . 0 "[ . 1 . 2]"
2 1 C 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 U 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 A 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 G 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 U 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 U 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 A 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 G 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 C 0.000 0.000 . 0 "[ . 1 . 2]"
2 10 U 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 A 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 A 0.000 0.000 . 0 "[ . 1 . 2]"
2 13 C 0.000 0.000 . 0 "[ . 1 . 2]"
2 14 U 0.000 0.000 . 0 "[ . 1 . 2]"
2 15 A 0.000 0.000 . 0 "[ . 1 . 2]"
2 16 G 0.000 0.000 . 0 "[ . 1 . 2]"
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 C N3 2 16 G H1 1.890 . 2.390 1.893 1.891 1.895 . 0 0 "[ . 1 . 2]" 3
2 1 1 C N3 2 16 G N1 3.000 . 3.500 2.897 2.895 2.899 . 0 0 "[ . 1 . 2]" 3
3 1 1 C O2 2 16 G H21 1.890 . 2.390 1.920 1.918 1.922 . 0 0 "[ . 1 . 2]" 3
4 1 1 C O2 2 16 G N2 3.000 . 3.500 2.850 2.848 2.852 . 0 0 "[ . 1 . 2]" 3
5 1 1 C H41 2 16 G O6 1.890 . 2.390 1.943 1.941 1.945 . 0 0 "[ . 1 . 2]" 3
6 1 1 C N4 2 16 G O6 3.000 . 3.500 2.939 2.936 2.940 . 0 0 "[ . 1 . 2]" 3
7 1 2 U H3 2 15 A N1 1.890 . 2.390 1.920 1.917 1.922 . 0 0 "[ . 1 . 2]" 3
8 1 2 U N3 2 15 A N1 3.000 . 3.500 2.926 2.923 2.928 . 0 0 "[ . 1 . 2]" 3
9 1 2 U O4 2 15 A H61 1.890 . 2.390 1.892 1.889 1.895 . 0 0 "[ . 1 . 2]" 3
10 1 2 U O4 2 15 A N6 3.000 . 3.500 2.885 2.883 2.888 . 0 0 "[ . 1 . 2]" 3
11 1 3 A N1 2 14 U H3 1.890 . 2.390 1.889 1.887 1.892 . 0 0 "[ . 1 . 2]" 3
12 1 3 A N1 2 14 U N3 3.000 . 3.500 2.891 2.888 2.893 . 0 0 "[ . 1 . 2]" 3
13 1 3 A H61 2 14 U O4 1.890 . 2.390 1.933 1.929 1.936 . 0 0 "[ . 1 . 2]" 3
14 1 3 A N6 2 14 U O4 3.000 . 3.500 2.914 2.910 2.918 . 0 0 "[ . 1 . 2]" 3
15 1 4 G H1 2 13 C N3 1.890 . 2.390 1.881 1.878 1.883 . 0 0 "[ . 1 . 2]" 3
16 1 4 G N1 2 13 C N3 3.000 . 3.500 2.876 2.871 2.879 . 0 0 "[ . 1 . 2]" 3
17 1 4 G H21 2 13 C O2 1.890 . 2.390 1.926 1.918 1.930 . 0 0 "[ . 1 . 2]" 3
18 1 4 G N2 2 13 C O2 3.000 . 3.500 2.854 2.848 2.860 . 0 0 "[ . 1 . 2]" 3
19 1 4 G O6 2 13 C H41 1.890 . 2.390 1.984 1.979 1.989 . 0 0 "[ . 1 . 2]" 3
20 1 4 G O6 2 13 C N4 3.000 . 3.500 2.948 2.945 2.953 . 0 0 "[ . 1 . 2]" 3
21 1 5 U H3 2 12 A N1 1.890 . 2.390 1.903 1.898 1.909 . 0 0 "[ . 1 . 2]" 3
22 1 5 U N3 2 12 A N1 3.000 . 3.500 2.911 2.906 2.916 . 0 0 "[ . 1 . 2]" 3
23 1 5 U O4 2 12 A H61 1.890 . 2.390 1.915 1.907 1.925 . 0 0 "[ . 1 . 2]" 3
24 1 5 U O4 2 12 A N6 3.000 . 3.500 2.881 2.873 2.893 . 0 0 "[ . 1 . 2]" 3
25 1 6 U H3 2 11 A N1 1.890 . 2.390 1.903 1.900 1.908 . 0 0 "[ . 1 . 2]" 3
26 1 6 U N3 2 11 A N1 3.000 . 3.500 2.912 2.909 2.915 . 0 0 "[ . 1 . 2]" 3
27 1 6 U O4 2 11 A H61 1.890 . 2.390 1.953 1.944 1.958 . 0 0 "[ . 1 . 2]" 3
28 1 6 U O4 2 11 A N6 3.000 . 3.500 2.926 2.919 2.930 . 0 0 "[ . 1 . 2]" 3
29 1 7 A N1 2 10 U H3 1.890 . 2.390 1.893 1.890 1.895 . 0 0 "[ . 1 . 2]" 3
30 1 7 A N1 2 10 U N3 3.000 . 3.500 2.893 2.890 2.896 . 0 0 "[ . 1 . 2]" 3
31 1 7 A H61 2 10 U O4 1.890 . 2.390 1.916 1.913 1.919 . 0 0 "[ . 1 . 2]" 3
32 1 7 A N6 2 10 U O4 3.000 . 3.500 2.904 2.900 2.909 . 0 0 "[ . 1 . 2]" 3
33 1 8 G H1 2 9 C N3 1.890 . 2.390 1.865 1.862 1.868 . 0 0 "[ . 1 . 2]" 3
34 1 8 G N1 2 9 C N3 3.000 . 3.500 2.867 2.864 2.869 . 0 0 "[ . 1 . 2]" 3
35 1 8 G H21 2 9 C O2 1.890 . 2.390 1.938 1.933 1.944 . 0 0 "[ . 1 . 2]" 3
36 1 8 G N2 2 9 C O2 3.000 . 3.500 2.852 2.849 2.858 . 0 0 "[ . 1 . 2]" 3
37 1 8 G O6 2 9 C H41 1.890 . 2.390 2.030 2.027 2.033 . 0 0 "[ . 1 . 2]" 3
38 1 8 G O6 2 9 C N4 3.000 . 3.500 2.980 2.977 2.988 . 0 0 "[ . 1 . 2]" 3
39 1 16 G H1 2 1 C N3 1.890 . 2.390 1.893 1.892 1.895 . 0 0 "[ . 1 . 2]" 3
40 1 16 G N1 2 1 C N3 3.000 . 3.500 2.897 2.895 2.898 . 0 0 "[ . 1 . 2]" 3
41 1 16 G H21 2 1 C O2 1.890 . 2.390 1.920 1.917 1.923 . 0 0 "[ . 1 . 2]" 3
42 1 16 G N2 2 1 C O2 3.000 . 3.500 2.850 2.849 2.852 . 0 0 "[ . 1 . 2]" 3
43 1 16 G O6 2 1 C H41 1.890 . 2.390 1.944 1.939 1.948 . 0 0 "[ . 1 . 2]" 3
44 1 16 G O6 2 1 C N4 3.000 . 3.500 2.939 2.935 2.942 . 0 0 "[ . 1 . 2]" 3
45 1 15 A N1 2 2 U H3 1.890 . 2.390 1.919 1.917 1.922 . 0 0 "[ . 1 . 2]" 3
46 1 15 A N1 2 2 U N3 3.000 . 3.500 2.925 2.923 2.927 . 0 0 "[ . 1 . 2]" 3
47 1 15 A H61 2 2 U O4 1.890 . 2.390 1.892 1.888 1.895 . 0 0 "[ . 1 . 2]" 3
48 1 15 A N6 2 2 U O4 3.000 . 3.500 2.885 2.882 2.887 . 0 0 "[ . 1 . 2]" 3
49 1 14 U H3 2 3 A N1 1.890 . 2.390 1.890 1.888 1.892 . 0 0 "[ . 1 . 2]" 3
50 1 14 U N3 2 3 A N1 3.000 . 3.500 2.891 2.890 2.892 . 0 0 "[ . 1 . 2]" 3
51 1 14 U O4 2 3 A H61 1.890 . 2.390 1.934 1.931 1.937 . 0 0 "[ . 1 . 2]" 3
52 1 14 U O4 2 3 A N6 3.000 . 3.500 2.914 2.912 2.919 . 0 0 "[ . 1 . 2]" 3
53 1 13 C N3 2 4 G H1 1.890 . 2.390 1.881 1.879 1.883 . 0 0 "[ . 1 . 2]" 3
54 1 13 C N3 2 4 G N1 3.000 . 3.500 2.876 2.872 2.878 . 0 0 "[ . 1 . 2]" 3
55 1 13 C O2 2 4 G H21 1.890 . 2.390 1.926 1.921 1.930 . 0 0 "[ . 1 . 2]" 3
56 1 13 C O2 2 4 G N2 3.000 . 3.500 2.854 2.848 2.859 . 0 0 "[ . 1 . 2]" 3
57 1 13 C H41 2 4 G O6 1.890 . 2.390 1.983 1.977 1.989 . 0 0 "[ . 1 . 2]" 3
58 1 13 C N4 2 4 G O6 3.000 . 3.500 2.948 2.943 2.951 . 0 0 "[ . 1 . 2]" 3
59 1 12 A N1 2 5 U H3 1.890 . 2.390 1.904 1.898 1.909 . 0 0 "[ . 1 . 2]" 3
60 1 12 A N1 2 5 U N3 3.000 . 3.500 2.911 2.906 2.916 . 0 0 "[ . 1 . 2]" 3
61 1 12 A H61 2 5 U O4 1.890 . 2.390 1.914 1.910 1.918 . 0 0 "[ . 1 . 2]" 3
62 1 12 A N6 2 5 U O4 3.000 . 3.500 2.880 2.874 2.889 . 0 0 "[ . 1 . 2]" 3
63 1 11 A N1 2 6 U H3 1.890 . 2.390 1.904 1.901 1.906 . 0 0 "[ . 1 . 2]" 3
64 1 11 A N1 2 6 U N3 3.000 . 3.500 2.912 2.910 2.915 . 0 0 "[ . 1 . 2]" 3
65 1 11 A H61 2 6 U O4 1.890 . 2.390 1.952 1.949 1.956 . 0 0 "[ . 1 . 2]" 3
66 1 11 A N6 2 6 U O4 3.000 . 3.500 2.926 2.922 2.930 . 0 0 "[ . 1 . 2]" 3
67 1 10 U H3 2 7 A N1 1.890 . 2.390 1.893 1.889 1.895 . 0 0 "[ . 1 . 2]" 3
68 1 10 U N3 2 7 A N1 3.000 . 3.500 2.893 2.888 2.896 . 0 0 "[ . 1 . 2]" 3
69 1 10 U O4 2 7 A H61 1.890 . 2.390 1.916 1.913 1.919 . 0 0 "[ . 1 . 2]" 3
70 1 10 U O4 2 7 A N6 3.000 . 3.500 2.904 2.901 2.911 . 0 0 "[ . 1 . 2]" 3
71 1 9 C N3 2 8 G H1 1.890 . 2.390 1.866 1.863 1.869 . 0 0 "[ . 1 . 2]" 3
72 1 9 C N3 2 8 G N1 3.000 . 3.500 2.868 2.866 2.870 . 0 0 "[ . 1 . 2]" 3
73 1 9 C O2 2 8 G H21 1.890 . 2.390 1.938 1.930 1.945 . 0 0 "[ . 1 . 2]" 3
74 1 9 C O2 2 8 G N2 3.000 . 3.500 2.851 2.844 2.854 . 0 0 "[ . 1 . 2]" 3
75 1 9 C H41 2 8 G O6 1.890 . 2.390 2.030 2.026 2.034 . 0 0 "[ . 1 . 2]" 3
76 1 9 C N4 2 8 G O6 3.000 . 3.500 2.981 2.977 2.986 . 0 0 "[ . 1 . 2]" 3
stop_
save_
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