NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
574379 |
2m5u   |
19081 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m5u
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 418
_Distance_constraint_stats_list.Viol_count 757
_Distance_constraint_stats_list.Viol_total 417.193
_Distance_constraint_stats_list.Viol_max 0.150
_Distance_constraint_stats_list.Viol_rms 0.0166
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0044
_Distance_constraint_stats_list.Viol_average_violations_only 0.0367
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 G 0.233 0.033 13 0 "[ . 1 .]"
1 2 G 2.666 0.120 6 0 "[ . 1 .]"
1 3 C 1.126 0.059 13 0 "[ . 1 .]"
1 4 A 1.862 0.059 13 0 "[ . 1 .]"
1 5 G 3.459 0.150 15 0 "[ . 1 .]"
1 6 A 4.702 0.150 15 0 "[ . 1 .]"
1 7 U 0.693 0.035 12 0 "[ . 1 .]"
1 8 U 1.163 0.061 7 0 "[ . 1 .]"
1 9 C 3.867 0.109 11 0 "[ . 1 .]"
1 10 U 3.672 0.109 11 0 "[ . 1 .]"
1 11 G 2.805 0.079 9 0 "[ . 1 .]"
1 12 G 5.081 0.096 15 0 "[ . 1 .]"
1 13 U 1.887 0.054 2 0 "[ . 1 .]"
1 14 G 2.168 0.105 12 0 "[ . 1 .]"
1 15 A 1.984 0.105 12 0 "[ . 1 .]"
1 16 A 0.790 0.046 3 0 "[ . 1 .]"
1 17 U 1.963 0.128 13 0 "[ . 1 .]"
1 18 C 3.281 0.128 13 0 "[ . 1 .]"
1 19 U 2.274 0.120 6 0 "[ . 1 .]"
1 20 G 1.651 0.064 10 0 "[ . 1 .]"
1 21 C 3.621 0.120 6 0 "[ . 1 .]"
1 22 C 0.287 0.033 13 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 G H1' 1 1 G H8 3.800 . 4.500 3.693 3.644 3.747 . 0 0 "[ . 1 .]" 1
2 1 1 G H2' 1 1 G H8 3.800 . 4.500 4.124 3.986 4.248 . 0 0 "[ . 1 .]" 1
3 1 1 G H3' 1 1 G H8 3.800 . 4.500 2.954 2.716 3.142 . 0 0 "[ . 1 .]" 1
4 1 1 G H4' 1 1 G H8 5.000 3.000 6.000 4.005 3.921 4.047 . 0 0 "[ . 1 .]" 1
5 1 1 G H5'' 1 1 G H8 3.800 . 4.500 3.011 2.293 3.744 . 0 0 "[ . 1 .]" 1
6 1 1 G H5' 1 1 G H8 3.800 . 4.500 3.014 2.200 3.775 . 0 0 "[ . 1 .]" 1
7 1 1 G H8 1 2 G H8 5.000 3.000 6.000 4.224 4.053 4.415 . 0 0 "[ . 1 .]" 1
8 1 1 G H2' 1 2 G H1' 3.800 . 4.500 3.298 3.150 3.538 . 0 0 "[ . 1 .]" 1
9 1 1 G H1' 1 2 G H8 3.800 . 4.500 4.512 4.465 4.533 0.033 13 0 "[ . 1 .]" 1
10 1 1 G H2' 1 2 G H8 2.500 . 3.000 2.174 2.157 2.201 . 0 0 "[ . 1 .]" 1
11 1 1 G H3' 1 2 G H8 3.800 . 4.500 2.453 2.290 2.695 . 0 0 "[ . 1 .]" 1
12 1 1 G H4' 1 2 G H8 5.000 3.000 6.000 5.178 5.045 5.346 . 0 0 "[ . 1 .]" 1
13 1 1 G H5'' 1 2 G H8 5.000 3.000 6.000 5.178 4.426 5.946 . 0 0 "[ . 1 .]" 1
14 1 2 G H1' 1 2 G H8 3.800 . 4.500 3.571 3.551 3.614 . 0 0 "[ . 1 .]" 1
15 1 2 G H2' 1 2 G H8 3.800 . 4.500 4.248 4.171 4.306 . 0 0 "[ . 1 .]" 1
16 1 2 G H3' 1 2 G H8 3.800 . 4.500 3.533 3.400 3.630 . 0 0 "[ . 1 .]" 1
17 1 2 G H4' 1 2 G H8 3.800 . 4.500 4.458 4.413 4.495 . 0 0 "[ . 1 .]" 1
18 1 2 G H5' 1 2 G H8 3.800 . 4.500 4.062 3.911 4.187 . 0 0 "[ . 1 .]" 1
19 1 2 G H1' 1 3 C H1' 6.000 4.000 7.000 6.306 6.037 6.505 . 0 0 "[ . 1 .]" 1
20 1 2 G H1' 1 3 C H5 5.000 3.000 6.000 5.505 5.342 5.707 . 0 0 "[ . 1 .]" 1
21 1 2 G H2' 1 3 C H1' 3.800 . 4.500 4.267 4.111 4.380 . 0 0 "[ . 1 .]" 1
22 1 2 G H2' 1 3 C H5 3.800 . 4.500 3.756 3.554 3.990 . 0 0 "[ . 1 .]" 1
23 1 2 G H3' 1 3 C H5 3.800 . 4.500 3.675 3.506 3.906 . 0 0 "[ . 1 .]" 1
24 1 2 G H4' 1 3 C H5 6.000 4.000 7.000 6.437 6.307 6.625 . 0 0 "[ . 1 .]" 1
25 1 2 G H1' 1 3 C H6 5.000 3.000 6.000 4.835 4.699 4.964 . 0 0 "[ . 1 .]" 1
26 1 2 G H2' 1 3 C H6 2.500 . 3.000 2.199 2.184 2.239 . 0 0 "[ . 1 .]" 1
27 1 2 G H3' 1 3 C H6 3.800 . 4.500 3.084 3.005 3.219 . 0 0 "[ . 1 .]" 1
28 1 2 G H4' 1 3 C H6 5.000 3.000 6.000 5.570 5.523 5.634 . 0 0 "[ . 1 .]" 1
29 1 3 C H1' 1 3 C H5 5.000 3.000 6.000 5.287 5.266 5.317 . 0 0 "[ . 1 .]" 1
30 1 3 C H2' 1 3 C H5 5.000 3.000 6.000 5.245 5.150 5.306 . 0 0 "[ . 1 .]" 1
31 1 3 C H1' 1 3 C H6 3.800 . 4.500 3.530 3.505 3.573 . 0 0 "[ . 1 .]" 1
32 1 3 C H2' 1 3 C H6 3.800 . 4.500 3.793 3.681 3.877 . 0 0 "[ . 1 .]" 1
33 1 3 C H3' 1 3 C H6 3.800 . 4.500 3.133 2.998 3.234 . 0 0 "[ . 1 .]" 1
34 1 3 C H4' 1 3 C H6 3.800 . 4.500 4.180 4.147 4.226 . 0 0 "[ . 1 .]" 1
35 1 3 C H5'' 1 3 C H6 5.000 3.000 6.000 4.291 4.123 4.483 . 0 0 "[ . 1 .]" 1
36 1 3 C H6 1 4 A H8 5.000 3.000 6.000 5.960 5.837 6.008 0.008 11 0 "[ . 1 .]" 1
37 1 3 C H2' 1 4 A H1' 5.000 3.000 6.000 5.162 4.956 5.333 . 0 0 "[ . 1 .]" 1
38 1 3 C H2' 1 4 A H2 6.000 4.000 7.000 7.038 7.020 7.059 0.059 13 0 "[ . 1 .]" 1
39 1 3 C H1' 1 4 A H8 3.800 . 4.500 4.523 4.508 4.534 0.034 4 0 "[ . 1 .]" 1
40 1 3 C H3' 1 4 A H8 3.800 . 4.500 3.794 3.756 3.831 . 0 0 "[ . 1 .]" 1
41 1 3 C H4' 1 4 A H8 5.000 3.000 6.000 4.967 4.915 5.015 . 0 0 "[ . 1 .]" 1
42 1 3 C H2' 1 4 A H8 2.500 . 3.000 2.206 2.180 2.246 . 0 0 "[ . 1 .]" 1
43 1 4 A H1' 1 4 A H2 5.000 3.000 6.000 4.680 4.651 4.705 . 0 0 "[ . 1 .]" 1
44 1 4 A H2 1 4 A H2' 5.000 3.000 6.000 5.168 5.078 5.249 . 0 0 "[ . 1 .]" 1
45 1 4 A H1' 1 4 A H8 3.800 . 4.500 3.779 3.763 3.794 . 0 0 "[ . 1 .]" 1
46 1 4 A H2' 1 4 A H8 3.800 . 4.500 3.887 3.830 3.945 . 0 0 "[ . 1 .]" 1
47 1 4 A H3' 1 4 A H8 3.800 . 4.500 2.404 2.329 2.497 . 0 0 "[ . 1 .]" 1
48 1 4 A H5'' 1 4 A H8 3.800 . 4.500 3.436 3.394 3.472 . 0 0 "[ . 1 .]" 1
49 1 4 A H8 1 5 G H8 . 3.000 4.500 4.530 4.518 4.537 0.037 14 0 "[ . 1 .]" 1
50 1 4 A H1' 1 5 G H1' . 3.000 4.500 4.507 4.440 4.520 0.020 14 0 "[ . 1 .]" 1
51 1 4 A H2 1 5 G H1' 3.800 . 4.500 3.953 3.737 4.197 . 0 0 "[ . 1 .]" 1
52 1 4 A H2 1 20 G H1' 3.800 . 4.500 3.515 3.279 3.942 . 0 0 "[ . 1 .]" 1
53 1 4 A H2 1 20 G H8 5.000 3.000 6.000 6.019 6.011 6.036 0.036 13 0 "[ . 1 .]" 1
54 1 4 A H2' 1 5 G H1' 3.800 . 4.500 3.093 3.055 3.175 . 0 0 "[ . 1 .]" 1
55 1 4 A H2' 1 5 G H5'' 3.800 . 4.500 4.378 4.280 4.441 . 0 0 "[ . 1 .]" 1
56 1 4 A H1' 1 5 G H8 5.000 3.000 6.000 4.763 4.707 4.790 . 0 0 "[ . 1 .]" 1
57 1 4 A H2' 1 5 G H8 2.500 . 3.000 2.119 2.099 2.136 . 0 0 "[ . 1 .]" 1
58 1 4 A H3' 1 5 G H8 3.800 . 4.500 2.620 2.518 2.759 . 0 0 "[ . 1 .]" 1
59 1 5 G H1' 1 5 G H8 3.800 . 4.500 3.678 3.661 3.690 . 0 0 "[ . 1 .]" 1
60 1 5 G H2' 1 5 G H8 5.000 3.000 6.000 4.163 4.125 4.196 . 0 0 "[ . 1 .]" 1
61 1 5 G H3' 1 5 G H8 3.800 . 4.500 3.103 3.046 3.199 . 0 0 "[ . 1 .]" 1
62 1 5 G H4' 1 5 G H8 3.800 . 4.500 4.130 4.098 4.228 . 0 0 "[ . 1 .]" 1
63 1 5 G H5'' 1 5 G H8 3.800 . 4.500 3.591 3.535 3.795 . 0 0 "[ . 1 .]" 1
64 1 5 G H8 1 6 A H8 5.000 3.000 6.000 4.547 4.368 4.692 . 0 0 "[ . 1 .]" 1
65 1 5 G H2' 1 6 A H2 6.000 4.000 7.000 7.036 7.026 7.054 0.054 14 0 "[ . 1 .]" 1
66 1 5 G H2' 1 6 A H1' 3.800 . 4.500 3.350 3.206 3.422 . 0 0 "[ . 1 .]" 1
67 1 5 G H1' 1 6 A H8 3.800 . 4.800 4.722 4.679 4.768 . 0 0 "[ . 1 .]" 1
68 1 5 G H2' 1 6 A H8 2.500 . 3.000 2.176 2.157 2.187 . 0 0 "[ . 1 .]" 1
69 1 5 G H3' 1 6 A H8 2.500 . 3.000 2.159 2.136 2.173 . 0 0 "[ . 1 .]" 1
70 1 5 G H5'' 1 6 A H8 3.800 . 4.500 4.644 4.635 4.650 0.150 15 0 "[ . 1 .]" 1
71 1 6 A H1' 1 6 A H8 3.800 . 4.500 3.711 3.692 3.723 . 0 0 "[ . 1 .]" 1
72 1 6 A H2' 1 6 A H8 3.800 . 4.500 4.172 4.131 4.239 . 0 0 "[ . 1 .]" 1
73 1 6 A H3' 1 6 A H8 3.800 . 4.500 3.287 3.206 3.381 . 0 0 "[ . 1 .]" 1
74 1 6 A H1' 1 6 A H2 5.000 3.000 6.000 4.747 4.729 4.776 . 0 0 "[ . 1 .]" 1
75 1 6 A H2 1 6 A H2' 3.800 . 4.500 4.559 4.438 4.615 0.115 15 0 "[ . 1 .]" 1
76 1 6 A H8 1 7 U H5 5.000 3.000 6.000 4.495 4.017 4.713 . 0 0 "[ . 1 .]" 1
77 1 6 A H1' 1 7 U H1' 5.000 3.000 6.000 5.989 5.879 6.009 0.009 6 0 "[ . 1 .]" 1
78 1 6 A H1' 1 7 U H5 5.000 3.000 6.000 5.293 5.174 5.428 . 0 0 "[ . 1 .]" 1
79 1 6 A H2 1 17 U H2' 3.800 . 4.500 4.540 4.516 4.559 0.059 7 0 "[ . 1 .]" 1
80 1 6 A H2 1 17 U H1' 5.000 3.000 6.000 4.578 4.387 4.721 . 0 0 "[ . 1 .]" 1
81 1 6 A H2' 1 7 U H1' 3.800 . 4.500 4.080 3.946 4.237 . 0 0 "[ . 1 .]" 1
82 1 6 A H2' 1 7 U H5 2.500 . 3.000 2.912 2.772 3.017 0.017 6 0 "[ . 1 .]" 1
83 1 6 A H1' 1 7 U H6 5.000 3.000 6.000 5.074 5.015 5.152 . 0 0 "[ . 1 .]" 1
84 1 6 A H2' 1 7 U H6 2.500 . 3.000 2.335 2.246 2.410 . 0 0 "[ . 1 .]" 1
85 1 6 A H3' 1 7 U H6 3.800 . 4.500 3.105 2.864 3.275 . 0 0 "[ . 1 .]" 1
86 1 6 A H3' 1 7 U H5 3.800 . 4.500 2.572 2.383 2.694 . 0 0 "[ . 1 .]" 1
87 1 6 A H8 1 7 U H6 5.000 3.000 6.000 5.854 5.496 6.005 0.005 3 0 "[ . 1 .]" 1
88 1 7 U H1' 1 7 U H5 5.000 3.000 6.000 5.279 5.265 5.296 . 0 0 "[ . 1 .]" 1
89 1 7 U H2' 1 7 U H5 5.000 3.000 6.000 5.482 5.447 5.519 . 0 0 "[ . 1 .]" 1
90 1 7 U H3' 1 7 U H5 5.000 3.000 6.000 4.517 4.441 4.603 . 0 0 "[ . 1 .]" 1
91 1 7 U H1' 1 7 U H6 3.800 . 4.500 3.515 3.498 3.538 . 0 0 "[ . 1 .]" 1
92 1 7 U H2' 1 7 U H6 3.800 . 4.500 4.015 3.965 4.059 . 0 0 "[ . 1 .]" 1
93 1 7 U H3' 1 7 U H6 3.800 . 4.500 2.862 2.762 2.918 . 0 0 "[ . 1 .]" 1
94 1 7 U H5'' 1 7 U H6 3.800 . 4.500 3.369 3.278 3.557 . 0 0 "[ . 1 .]" 1
95 1 7 U H5 1 7 U H5'' 6.000 4.000 7.000 5.285 5.200 5.534 . 0 0 "[ . 1 .]" 1
96 1 7 U H1' 1 8 U H1' 6.000 4.000 7.000 5.750 5.277 6.110 . 0 0 "[ . 1 .]" 1
97 1 7 U H6 1 8 U H5 3.800 . 4.500 3.870 3.583 4.214 . 0 0 "[ . 1 .]" 1
98 1 7 U H6 1 8 U H6 . 3.000 4.500 4.514 4.491 4.523 0.023 6 0 "[ . 1 .]" 1
99 1 7 U H2' 1 8 U H1' 3.800 . 4.500 3.923 3.703 4.129 . 0 0 "[ . 1 .]" 1
100 1 7 U H3' 1 8 U H1' 5.000 3.000 6.000 5.931 5.824 6.012 0.012 1 0 "[ . 1 .]" 1
101 1 7 U H2' 1 8 U H6 2.500 . 3.000 2.181 2.170 2.197 . 0 0 "[ . 1 .]" 1
102 1 7 U H3' 1 8 U H6 2.500 . 3.000 2.828 2.706 2.930 . 0 0 "[ . 1 .]" 1
103 1 7 U H2' 1 16 A H2 5.000 3.000 6.000 4.311 4.138 4.673 . 0 0 "[ . 1 .]" 1
104 1 8 U H1' 1 8 U H5 5.000 3.000 6.000 5.266 5.255 5.278 . 0 0 "[ . 1 .]" 1
105 1 8 U H2' 1 8 U H5 5.000 3.000 6.000 5.296 5.275 5.332 . 0 0 "[ . 1 .]" 1
106 1 8 U H1' 1 8 U H6 3.800 . 4.500 3.501 3.485 3.516 . 0 0 "[ . 1 .]" 1
107 1 8 U H2' 1 8 U H6 3.800 . 4.500 3.865 3.829 3.907 . 0 0 "[ . 1 .]" 1
108 1 8 U H3' 1 8 U H6 3.800 . 4.500 3.289 3.226 3.346 . 0 0 "[ . 1 .]" 1
109 1 8 U H1' 1 16 A H2 3.800 . 4.500 3.070 2.593 3.510 . 0 0 "[ . 1 .]" 1
110 1 8 U H2' 1 16 A H2 5.000 3.000 6.000 5.534 5.146 5.859 . 0 0 "[ . 1 .]" 1
111 1 8 U H6 1 9 C H6 5.000 3.000 6.000 5.978 5.937 6.010 0.010 10 0 "[ . 1 .]" 1
112 1 8 U H2' 1 9 C H1' 3.800 . 4.500 4.522 4.503 4.542 0.042 7 0 "[ . 1 .]" 1
113 1 8 U H1' 1 9 C H6 3.800 . 4.500 4.529 4.511 4.561 0.061 7 0 "[ . 1 .]" 1
114 1 8 U H2' 1 9 C H6 2.500 . 3.000 2.140 2.100 2.163 . 0 0 "[ . 1 .]" 1
115 1 8 U H3' 1 9 C H6 3.800 . 4.500 3.765 3.730 3.797 . 0 0 "[ . 1 .]" 1
116 1 8 U H1' 1 15 A H2 5.000 3.000 6.000 4.554 4.417 4.732 . 0 0 "[ . 1 .]" 1
117 1 8 U H2' 1 15 A H2 5.000 3.000 6.000 4.600 4.479 4.715 . 0 0 "[ . 1 .]" 1
118 1 9 C H1' 1 9 C H6 3.800 . 4.500 3.509 3.497 3.521 . 0 0 "[ . 1 .]" 1
119 1 9 C H2' 1 9 C H6 3.800 . 4.500 3.969 3.915 4.021 . 0 0 "[ . 1 .]" 1
120 1 9 C H3' 1 9 C H6 3.800 . 4.500 2.936 2.859 3.039 . 0 0 "[ . 1 .]" 1
121 1 9 C H5 1 9 C H6 2.500 . 3.000 2.441 2.440 2.442 . 0 0 "[ . 1 .]" 1
122 1 9 C H1' 1 9 C H5 5.000 3.000 6.000 5.274 5.268 5.284 . 0 0 "[ . 1 .]" 1
123 1 9 C H1' 1 10 U H1' 5.000 3.000 6.000 4.037 3.995 4.084 . 0 0 "[ . 1 .]" 1
124 1 9 C H6 1 10 U H5 5.000 3.000 6.000 4.075 3.853 4.161 . 0 0 "[ . 1 .]" 1
125 1 9 C H2' 1 10 U H1' 2.500 . 3.000 2.307 2.288 2.323 . 0 0 "[ . 1 .]" 1
126 1 9 C H4' 1 10 U H1' 5.000 3.000 6.000 6.094 6.087 6.109 0.109 11 0 "[ . 1 .]" 1
127 1 9 C H5'' 1 10 U H1' 6.000 4.000 7.000 6.860 6.841 6.880 . 0 0 "[ . 1 .]" 1
128 1 9 C H2' 1 10 U H5 3.800 . 4.500 4.534 4.507 4.547 0.047 5 0 "[ . 1 .]" 1
129 1 9 C H3' 1 10 U H5 5.000 3.000 6.000 2.997 2.971 3.129 0.029 5 0 "[ . 1 .]" 1
130 1 9 C H4' 1 10 U H5 5.000 3.000 6.000 5.836 5.807 5.923 . 0 0 "[ . 1 .]" 1
131 1 9 C H5'' 1 10 U H5 5.000 3.000 6.000 4.419 4.369 4.511 . 0 0 "[ . 1 .]" 1
132 1 9 C H1' 1 10 U H6 5.000 3.000 6.000 5.080 5.032 5.109 . 0 0 "[ . 1 .]" 1
133 1 9 C H2' 1 10 U H6 2.500 . 3.000 2.617 2.593 2.636 . 0 0 "[ . 1 .]" 1
134 1 9 C H3' 1 10 U H6 2.500 . 3.000 2.144 2.120 2.154 . 0 0 "[ . 1 .]" 1
135 1 9 C H4' 1 10 U H6 5.000 3.000 6.000 4.969 4.955 5.017 . 0 0 "[ . 1 .]" 1
136 1 9 C H5 1 10 U H6 5.000 3.000 6.000 5.254 5.091 5.322 . 0 0 "[ . 1 .]" 1
137 1 9 C H5'' 1 10 U H6 3.800 . 4.500 4.560 4.538 4.568 0.068 2 0 "[ . 1 .]" 1
138 1 9 C H1' 1 15 A H2 3.800 . 4.500 3.458 3.317 3.603 . 0 0 "[ . 1 .]" 1
139 1 10 U H1' 1 10 U H6 3.800 . 4.500 3.460 3.428 3.475 . 0 0 "[ . 1 .]" 1
140 1 10 U H2' 1 10 U H6 3.800 . 4.500 4.157 4.129 4.185 . 0 0 "[ . 1 .]" 1
141 1 10 U H3' 1 10 U H6 2.500 . 3.000 2.984 2.955 3.002 0.002 9 0 "[ . 1 .]" 1
142 1 10 U H3' 1 10 U H5 3.800 . 4.500 4.516 4.507 4.540 0.040 14 0 "[ . 1 .]" 1
143 1 10 U H5' 1 10 U H6 3.800 . 4.500 3.468 3.392 3.793 . 0 0 "[ . 1 .]" 1
144 1 10 U H1' 1 10 U H5 5.000 3.000 6.000 5.243 5.219 5.252 . 0 0 "[ . 1 .]" 1
145 1 10 U H1' 1 11 G H1' 5.000 3.000 6.000 5.162 5.072 5.343 . 0 0 "[ . 1 .]" 1
146 1 10 U H1' 1 11 G H2' 6.000 4.000 7.000 6.783 6.718 6.891 . 0 0 "[ . 1 .]" 1
147 1 10 U H2' 1 11 G H2' 3.800 . 4.500 4.066 3.999 4.216 . 0 0 "[ . 1 .]" 1
148 1 10 U H2' 1 11 G H5' 3.800 . 4.500 4.064 3.938 4.171 . 0 0 "[ . 1 .]" 1
149 1 10 U H2' 1 11 G H1' 3.800 . 4.500 3.130 3.023 3.380 . 0 0 "[ . 1 .]" 1
150 1 10 U H3' 1 11 G H1' 5.000 3.000 6.000 4.689 4.479 4.772 . 0 0 "[ . 1 .]" 1
151 1 10 U H5'' 1 11 G H1' 6.000 4.000 7.000 6.966 6.781 7.005 0.005 1 0 "[ . 1 .]" 1
152 1 10 U H2' 1 11 G H4' 2.500 . 3.000 3.022 2.998 3.041 0.041 12 0 "[ . 1 .]" 1
153 1 10 U H2' 1 11 G H5'' 3.800 . 4.500 3.065 2.994 3.263 . 0 0 "[ . 1 .]" 1
154 1 10 U H3' 1 11 G H5'' 3.800 . 4.500 3.450 3.378 3.635 . 0 0 "[ . 1 .]" 1
155 1 10 U H1' 1 11 G H8 5.000 3.000 6.000 5.645 5.567 5.770 . 0 0 "[ . 1 .]" 1
156 1 10 U H2' 1 11 G H8 3.800 . 4.500 4.271 4.099 4.506 0.006 13 0 "[ . 1 .]" 1
157 1 10 U H3' 1 11 G H8 5.000 3.000 6.000 4.851 4.495 4.994 . 0 0 "[ . 1 .]" 1
158 1 11 G H1' 1 11 G H8 2.500 . 3.000 2.508 2.500 2.512 . 0 0 "[ . 1 .]" 1
159 1 11 G H2' 1 11 G H8 3.800 . 4.500 4.419 4.382 4.468 . 0 0 "[ . 1 .]" 1
160 1 11 G H3' 1 11 G H8 6.000 4.000 7.000 6.033 6.013 6.057 . 0 0 "[ . 1 .]" 1
161 1 11 G H4' 1 11 G H8 5.000 3.000 6.000 5.728 5.698 5.755 . 0 0 "[ . 1 .]" 1
162 1 11 G H5' 1 11 G H8 6.000 4.000 7.000 6.982 6.966 7.016 0.016 8 0 "[ . 1 .]" 1
163 1 11 G H1' 1 12 G H1' 5.000 3.000 6.000 5.400 5.304 5.463 . 0 0 "[ . 1 .]" 1
164 1 11 G H1' 1 12 G H4' 5.000 3.000 6.000 4.487 4.469 4.513 . 0 0 "[ . 1 .]" 1
165 1 11 G H1' 1 12 G H5' 6.000 4.000 7.000 4.088 4.026 4.113 . 0 0 "[ . 1 .]" 1
166 1 11 G H1' 1 12 G H5'' 5.000 3.000 6.000 4.329 4.314 4.337 . 0 0 "[ . 1 .]" 1
167 1 11 G H8 1 12 G H4' 6.000 4.000 7.000 5.064 5.008 5.154 . 0 0 "[ . 1 .]" 1
168 1 11 G H8 1 12 G H5'' 5.000 3.000 6.000 6.023 6.014 6.033 0.033 13 0 "[ . 1 .]" 1
169 1 11 G H8 1 12 G H8 6.000 4.000 7.000 6.850 6.594 7.001 0.001 13 0 "[ . 1 .]" 1
170 1 11 G H2' 1 12 G H1' 5.000 3.000 6.000 5.200 5.188 5.237 . 0 0 "[ . 1 .]" 1
171 1 11 G H4' 1 12 G H1' 6.000 4.000 7.000 7.015 6.998 7.046 0.046 15 0 "[ . 1 .]" 1
172 1 11 G H1' 1 12 G H3' 5.000 3.000 6.000 6.007 5.970 6.021 0.021 12 0 "[ . 1 .]" 1
173 1 11 G H4' 1 12 G H2' 6.000 4.000 7.000 6.134 6.065 6.169 . 0 0 "[ . 1 .]" 1
174 1 11 G H4' 1 12 G H3' 6.000 4.000 7.000 7.069 7.049 7.079 0.079 9 0 "[ . 1 .]" 1
175 1 11 G H4' 1 12 G H4' 6.000 4.000 7.000 6.800 6.781 6.831 . 0 0 "[ . 1 .]" 1
176 1 11 G H4' 1 12 G H5' 5.000 3.000 6.000 5.933 5.915 5.948 . 0 0 "[ . 1 .]" 1
177 1 11 G H1' 1 12 G H8 5.000 3.000 6.000 5.885 5.667 5.974 . 0 0 "[ . 1 .]" 1
178 1 11 G H2' 1 12 G H8 5.000 3.000 6.000 4.287 4.146 4.358 . 0 0 "[ . 1 .]" 1
179 1 11 G H4' 1 12 G H8 6.000 4.000 7.000 7.006 6.979 7.017 0.017 2 0 "[ . 1 .]" 1
180 1 11 G H3' 1 12 G H8 6.000 4.000 7.000 4.646 4.599 4.732 . 0 0 "[ . 1 .]" 1
181 1 11 G H4' 1 13 U H2' 5.000 3.000 6.000 6.038 6.022 6.054 0.054 2 0 "[ . 1 .]" 1
182 1 12 G H5' 1 12 G H8 6.000 4.000 7.000 6.900 6.845 6.926 . 0 0 "[ . 1 .]" 1
183 1 12 G H5'' 1 12 G H8 6.000 4.000 7.000 6.374 6.352 6.392 . 0 0 "[ . 1 .]" 1
184 1 12 G H1' 1 12 G H8 2.500 . 3.000 2.489 2.485 2.492 . 0 0 "[ . 1 .]" 1
185 1 12 G H2' 1 12 G H8 3.800 . 4.500 4.557 4.548 4.580 0.080 15 0 "[ . 1 .]" 1
186 1 12 G H3' 1 12 G H8 5.000 3.000 6.000 6.092 6.090 6.096 0.096 15 0 "[ . 1 .]" 1
187 1 12 G H4' 1 12 G H8 5.000 3.000 6.000 5.350 5.317 5.370 . 0 0 "[ . 1 .]" 1
188 1 12 G H8 1 13 U H5 5.000 3.000 6.000 5.220 5.062 5.433 . 0 0 "[ . 1 .]" 1
189 1 12 G H2' 1 13 U H2' 2.500 . 3.000 2.310 2.233 2.356 . 0 0 "[ . 1 .]" 1
190 1 12 G H3' 1 13 U H2' 3.800 . 4.500 2.268 2.242 2.288 . 0 0 "[ . 1 .]" 1
191 1 12 G H3' 1 13 U H3' 3.800 . 4.500 2.184 2.170 2.192 . 0 0 "[ . 1 .]" 1
192 1 12 G H3' 1 13 U H5'' 5.000 3.000 6.000 3.542 3.521 3.566 . 0 0 "[ . 1 .]" 1
193 1 12 G H3' 1 13 U H5' 3.800 . 4.500 2.199 2.185 2.221 . 0 0 "[ . 1 .]" 1
194 1 12 G H4' 1 13 U H2' 3.800 . 4.500 4.512 4.506 4.520 0.020 10 0 "[ . 1 .]" 1
195 1 12 G H4' 1 13 U H3' 5.000 3.000 6.000 4.524 4.495 4.557 . 0 0 "[ . 1 .]" 1
196 1 12 G H4' 1 13 U H6 6.000 4.000 7.000 5.972 5.944 6.011 . 0 0 "[ . 1 .]" 1
197 1 12 G H1' 1 13 U H2' 5.000 3.000 6.000 5.078 5.029 5.107 . 0 0 "[ . 1 .]" 1
198 1 12 G H1' 1 13 U H3' 6.000 4.000 7.000 6.035 6.020 6.045 . 0 0 "[ . 1 .]" 1
199 1 12 G H1' 1 13 U H5' 3.800 . 4.500 4.337 4.285 4.375 . 0 0 "[ . 1 .]" 1
200 1 12 G H2' 1 13 U H5' 3.800 . 4.500 2.776 2.754 2.796 . 0 0 "[ . 1 .]" 1
201 1 12 G H2' 1 13 U H5'' 3.800 . 4.500 4.515 4.497 4.528 0.028 13 0 "[ . 1 .]" 1
202 1 12 G H2' 1 13 U H3' 5.000 3.000 6.000 3.973 3.948 3.993 . 0 0 "[ . 1 .]" 1
203 1 12 G H2' 1 13 U H1' 5.000 3.000 6.000 4.526 4.452 4.612 . 0 0 "[ . 1 .]" 1
204 1 12 G H1' 1 13 U H6 6.000 4.000 7.000 4.707 4.637 4.768 . 0 0 "[ . 1 .]" 1
205 1 12 G H8 1 13 U H6 5.000 3.000 6.000 5.732 5.637 5.829 . 0 0 "[ . 1 .]" 1
206 1 12 G H5' 1 14 G H8 3.800 . 4.500 3.954 3.883 4.033 . 0 0 "[ . 1 .]" 1
207 1 12 G H5'' 1 14 G H1' 5.000 3.000 6.000 4.894 4.862 4.941 . 0 0 "[ . 1 .]" 1
208 1 12 G H5' 1 14 G H1' 5.000 3.000 6.000 6.036 6.026 6.045 0.045 7 0 "[ . 1 .]" 1
209 1 13 U H2' 1 13 U H5 5.000 3.000 6.000 4.972 4.931 5.016 . 0 0 "[ . 1 .]" 1
210 1 13 U H1' 1 13 U H6 3.800 . 4.500 3.584 3.560 3.608 . 0 0 "[ . 1 .]" 1
211 1 13 U H2' 1 13 U H6 3.800 . 4.500 3.201 3.120 3.280 . 0 0 "[ . 1 .]" 1
212 1 13 U H3' 1 13 U H6 5.000 3.000 6.000 4.740 4.713 4.776 . 0 0 "[ . 1 .]" 1
213 1 13 U H5' 1 13 U H6 5.000 3.000 6.000 2.960 2.952 2.966 0.048 13 0 "[ . 1 .]" 1
214 1 13 U H5'' 1 13 U H6 6.000 4.000 7.000 4.227 4.193 4.246 . 0 0 "[ . 1 .]" 1
215 1 13 U H4' 1 13 U H6 5.000 3.000 6.000 4.388 4.360 4.416 . 0 0 "[ . 1 .]" 1
216 1 13 U H1' 1 14 G H1' 5.000 3.000 6.000 5.837 5.711 5.946 . 0 0 "[ . 1 .]" 1
217 1 13 U H6 1 14 G H8 5.000 3.000 6.000 6.020 6.014 6.029 0.029 8 0 "[ . 1 .]" 1
218 1 13 U H2' 1 14 G H1' 6.000 4.000 7.000 4.788 4.710 4.896 . 0 0 "[ . 1 .]" 1
219 1 13 U H3' 1 14 G H8 3.800 . 4.500 2.865 2.793 2.973 . 0 0 "[ . 1 .]" 1
220 1 13 U H1' 1 14 G H8 3.800 . 4.500 4.297 4.232 4.359 . 0 0 "[ . 1 .]" 1
221 1 13 U H2' 1 14 G H8 3.800 . 4.500 2.903 2.836 2.983 . 0 0 "[ . 1 .]" 1
222 1 13 U H5' 1 14 G H8 5.000 3.000 6.000 5.564 5.508 5.644 . 0 0 "[ . 1 .]" 1
223 1 14 G H1' 1 14 G H8 3.800 . 4.500 3.593 3.550 3.632 . 0 0 "[ . 1 .]" 1
224 1 14 G H2' 1 14 G H8 3.800 . 4.500 4.351 4.284 4.410 . 0 0 "[ . 1 .]" 1
225 1 14 G H3' 1 14 G H8 3.800 . 4.500 3.290 3.140 3.425 . 0 0 "[ . 1 .]" 1
226 1 14 G H5' 1 14 G H8 3.800 . 4.500 3.109 2.925 3.313 . 0 0 "[ . 1 .]" 1
227 1 14 G H5'' 1 14 G H8 3.800 . 4.500 3.656 3.599 3.709 . 0 0 "[ . 1 .]" 1
228 1 14 G H1' 1 15 A H1' 5.000 4.000 6.000 4.897 4.484 5.485 . 0 0 "[ . 1 .]" 1
229 1 14 G H3' 1 15 A H8 2.500 . 3.000 2.573 2.442 2.747 . 0 0 "[ . 1 .]" 1
230 1 14 G H1' 1 15 A H4' 5.000 3.000 6.000 5.493 4.999 5.842 . 0 0 "[ . 1 .]" 1
231 1 14 G H8 1 15 A H8 5.000 3.000 6.000 4.977 4.869 5.098 . 0 0 "[ . 1 .]" 1
232 1 14 G H5' 1 15 A H8 6.000 4.000 7.000 6.224 6.131 6.365 . 0 0 "[ . 1 .]" 1
233 1 14 G H5'' 1 15 A H8 5.000 3.000 6.000 5.304 5.049 5.592 . 0 0 "[ . 1 .]" 1
234 1 14 G H2' 1 15 A H1' 3.800 . 4.500 3.397 3.204 3.781 . 0 0 "[ . 1 .]" 1
235 1 14 G H1' 1 15 A H8 3.800 . 4.500 4.588 4.557 4.605 0.105 12 0 "[ . 1 .]" 1
236 1 14 G H2' 1 15 A H8 2.500 . 3.000 2.078 2.045 2.107 . 0 0 "[ . 1 .]" 1
237 1 15 A H1' 1 15 A H8 3.800 . 4.500 3.594 3.567 3.635 . 0 0 "[ . 1 .]" 1
238 1 15 A H2' 1 15 A H8 3.800 . 4.500 4.309 4.237 4.370 . 0 0 "[ . 1 .]" 1
239 1 15 A H3' 1 15 A H8 3.800 . 4.500 3.378 3.242 3.481 . 0 0 "[ . 1 .]" 1
240 1 15 A H4' 1 15 A H8 5.000 3.000 6.000 4.344 4.302 4.385 . 0 0 "[ . 1 .]" 1
241 1 15 A H5'' 1 15 A H8 5.000 3.000 6.000 4.233 4.095 4.350 . 0 0 "[ . 1 .]" 1
242 1 15 A H1' 1 15 A H2 5.000 3.000 6.000 4.936 4.874 4.979 . 0 0 "[ . 1 .]" 1
243 1 15 A H2 1 15 A H2' 5.000 3.000 6.000 4.361 4.275 4.501 . 0 0 "[ . 1 .]" 1
244 1 15 A H2 1 16 A H1' 3.800 . 4.500 3.395 2.815 3.721 . 0 0 "[ . 1 .]" 1
245 1 15 A H2' 1 16 A H1' 3.800 . 4.500 4.411 4.173 4.523 0.023 1 0 "[ . 1 .]" 1
246 1 15 A H1' 1 16 A H8 3.800 . 4.500 4.529 4.516 4.546 0.046 3 0 "[ . 1 .]" 1
247 1 15 A H2' 1 16 A H8 2.500 . 3.000 2.109 2.072 2.141 . 0 0 "[ . 1 .]" 1
248 1 15 A H3' 1 16 A H8 3.800 . 4.500 3.104 2.903 3.270 . 0 0 "[ . 1 .]" 1
249 1 15 A H4' 1 16 A H8 5.000 3.000 6.000 5.559 5.421 5.660 . 0 0 "[ . 1 .]" 1
250 1 15 A H8 1 16 A H8 5.000 3.000 6.000 4.915 4.762 5.044 . 0 0 "[ . 1 .]" 1
251 1 16 A H1' 1 16 A H8 3.800 . 4.500 3.686 3.603 3.721 . 0 0 "[ . 1 .]" 1
252 1 16 A H3' 1 16 A H8 3.800 . 4.500 3.262 3.136 3.579 . 0 0 "[ . 1 .]" 1
253 1 16 A H4' 1 16 A H8 5.000 3.000 6.000 4.423 4.398 4.491 . 0 0 "[ . 1 .]" 1
254 1 16 A H5'' 1 16 A H8 3.800 . 4.500 4.518 4.509 4.535 0.035 6 0 "[ . 1 .]" 1
255 1 16 A H2 1 16 A H2' 6.000 4.000 7.000 4.733 4.464 4.867 . 0 0 "[ . 1 .]" 1
256 1 16 A H2 1 16 A H8 6.000 4.000 7.000 6.419 6.417 6.420 . 0 0 "[ . 1 .]" 1
257 1 16 A H1' 1 17 U H1' 6.000 4.000 7.000 5.798 5.463 6.313 . 0 0 "[ . 1 .]" 1
258 1 16 A H2' 1 17 U H1' 3.800 . 4.500 3.912 3.702 4.218 . 0 0 "[ . 1 .]" 1
259 1 16 A H1' 1 17 U H5 5.000 3.000 6.000 5.630 5.172 5.906 . 0 0 "[ . 1 .]" 1
260 1 16 A H8 1 17 U H5 3.800 . 4.500 4.239 3.883 4.502 0.002 13 0 "[ . 1 .]" 1
261 1 16 A H2 1 17 U H6 5.000 3.000 6.000 5.708 5.555 5.898 . 0 0 "[ . 1 .]" 1
262 1 16 A H2 1 17 U H1' 3.800 . 4.500 4.032 3.703 4.505 0.005 6 0 "[ . 1 .]" 1
263 1 16 A H2' 1 17 U H5 3.800 . 4.500 3.395 2.932 3.738 . 0 0 "[ . 1 .]" 1
264 1 16 A H3' 1 17 U H5 3.800 . 4.500 3.167 2.669 3.541 . 0 0 "[ . 1 .]" 1
265 1 16 A H1' 1 17 U H6 5.000 3.000 6.000 5.007 4.957 5.050 . 0 0 "[ . 1 .]" 1
266 1 16 A H2' 1 17 U H6 2.500 . 3.000 2.194 2.184 2.220 . 0 0 "[ . 1 .]" 1
267 1 16 A H3' 1 17 U H6 3.800 . 4.500 3.031 2.833 3.199 . 0 0 "[ . 1 .]" 1
268 1 16 A H4' 1 17 U H6 5.000 3.000 6.000 5.350 5.131 5.545 . 0 0 "[ . 1 .]" 1
269 1 16 A H8 1 17 U H6 5.000 3.000 6.000 5.272 4.959 5.573 . 0 0 "[ . 1 .]" 1
270 1 17 U H1' 1 17 U H5 5.000 3.000 6.000 5.307 5.283 5.339 . 0 0 "[ . 1 .]" 1
271 1 17 U H2' 1 17 U H5 5.000 3.000 6.000 5.291 5.157 5.386 . 0 0 "[ . 1 .]" 1
272 1 17 U H1' 1 17 U H6 3.800 . 4.500 3.557 3.522 3.607 . 0 0 "[ . 1 .]" 1
273 1 17 U H2' 1 17 U H6 3.800 . 4.500 3.829 3.652 3.929 . 0 0 "[ . 1 .]" 1
274 1 17 U H5'' 1 17 U H6 5.000 3.000 6.000 3.820 3.501 4.038 . 0 0 "[ . 1 .]" 1
275 1 17 U H5 1 18 C H5 5.000 3.000 6.000 5.393 5.156 5.563 . 0 0 "[ . 1 .]" 1
276 1 17 U H6 1 18 C H5 6.000 4.000 7.000 4.729 4.527 4.873 . 0 0 "[ . 1 .]" 1
277 1 17 U H1' 1 18 C H5 6.000 4.000 7.000 4.829 4.695 4.995 . 0 0 "[ . 1 .]" 1
278 1 17 U H2' 1 18 C H5 2.500 . 3.000 2.197 2.168 2.278 . 0 0 "[ . 1 .]" 1
279 1 17 U H1' 1 18 C H6 3.800 . 4.500 4.590 4.569 4.628 0.128 13 0 "[ . 1 .]" 1
280 1 17 U H2' 1 18 C H6 2.500 . 3.000 2.160 2.117 2.181 . 0 0 "[ . 1 .]" 1
281 1 17 U H2' 1 18 C H1' 5.000 3.000 6.000 4.888 4.766 4.958 . 0 0 "[ . 1 .]" 1
282 1 18 C H2' 1 18 C H5 5.000 3.000 6.000 5.347 5.269 5.386 . 0 0 "[ . 1 .]" 1
283 1 18 C H3' 1 18 C H5 5.000 3.000 6.000 4.559 4.493 4.596 . 0 0 "[ . 1 .]" 1
284 1 18 C H1' 1 18 C H6 3.800 . 4.500 3.541 3.526 3.563 . 0 0 "[ . 1 .]" 1
285 1 18 C H2' 1 18 C H6 3.800 . 4.500 3.917 3.826 3.963 . 0 0 "[ . 1 .]" 1
286 1 18 C H3' 1 18 C H6 3.800 . 4.500 2.874 2.791 2.924 . 0 0 "[ . 1 .]" 1
287 1 18 C H5'' 1 18 C H6 3.800 . 4.500 3.395 3.327 3.521 . 0 0 "[ . 1 .]" 1
288 1 18 C H5 1 19 U H5 5.000 3.000 6.000 5.449 5.291 5.691 . 0 0 "[ . 1 .]" 1
289 1 18 C H1' 1 19 U H5 5.000 3.000 6.000 5.175 5.087 5.234 . 0 0 "[ . 1 .]" 1
290 1 18 C H2' 1 19 U H1' 3.800 . 4.500 4.516 4.481 4.534 0.034 2 0 "[ . 1 .]" 1
291 1 18 C H2' 1 19 U H5 3.800 . 4.500 2.635 2.570 2.684 . 0 0 "[ . 1 .]" 1
292 1 18 C H3' 1 19 U H5 3.800 . 4.500 3.269 3.182 3.430 . 0 0 "[ . 1 .]" 1
293 1 18 C H1' 1 19 U H6 3.800 . 4.500 4.609 4.590 4.620 0.120 6 0 "[ . 1 .]" 1
294 1 18 C H2' 1 19 U H6 2.500 . 3.000 2.076 2.050 2.123 . 0 0 "[ . 1 .]" 1
295 1 18 C H3' 1 19 U H6 3.800 . 4.500 3.688 3.654 3.762 . 0 0 "[ . 1 .]" 1
296 1 18 C H6 1 19 U H6 5.000 3.000 6.000 5.849 5.764 5.934 . 0 0 "[ . 1 .]" 1
297 1 19 U H1' 1 19 U H5 6.000 4.000 7.000 5.312 5.298 5.327 . 0 0 "[ . 1 .]" 1
298 1 19 U H2' 1 19 U H5 5.000 3.000 6.000 5.367 5.316 5.405 . 0 0 "[ . 1 .]" 1
299 1 19 U H1' 1 19 U H6 3.800 . 4.500 3.558 3.539 3.582 . 0 0 "[ . 1 .]" 1
300 1 19 U H2' 1 19 U H6 3.800 . 4.500 3.864 3.792 3.920 . 0 0 "[ . 1 .]" 1
301 1 19 U H3' 1 19 U H6 3.800 . 4.500 2.621 2.503 2.713 . 0 0 "[ . 1 .]" 1
302 1 19 U H3' 1 19 U H5 3.800 . 4.500 4.366 4.284 4.430 . 0 0 "[ . 1 .]" 1
303 1 19 U H5'' 1 19 U H6 5.000 3.000 6.000 3.395 3.335 3.463 . 0 0 "[ . 1 .]" 1
304 1 19 U H1' 1 20 G H8 3.800 . 4.500 4.515 4.472 4.545 0.045 4 0 "[ . 1 .]" 1
305 1 19 U H2' 1 20 G H8 2.500 . 3.000 2.161 2.130 2.183 . 0 0 "[ . 1 .]" 1
306 1 19 U H3' 1 20 G H8 3.800 . 4.500 2.392 2.257 2.611 . 0 0 "[ . 1 .]" 1
307 1 19 U H6 1 20 G H8 5.000 3.000 6.000 3.942 3.682 4.232 . 0 0 "[ . 1 .]" 1
308 1 19 U H2' 1 20 G H1' 3.800 . 4.500 3.315 3.099 3.593 . 0 0 "[ . 1 .]" 1
309 1 20 G H1' 1 20 G H8 3.800 . 4.500 3.642 3.600 3.688 . 0 0 "[ . 1 .]" 1
310 1 20 G H2' 1 20 G H8 3.800 . 4.500 4.138 4.053 4.219 . 0 0 "[ . 1 .]" 1
311 1 20 G H3' 1 20 G H8 3.800 . 4.500 3.279 3.119 3.409 . 0 0 "[ . 1 .]" 1
312 1 20 G H5' 1 20 G H8 5.000 3.000 6.000 3.812 3.596 3.977 . 0 0 "[ . 1 .]" 1
313 1 20 G H8 1 21 C H5 6.000 4.000 7.000 4.001 3.975 4.071 0.025 10 0 "[ . 1 .]" 1
314 1 20 G H1' 1 21 C H5 5.000 3.000 6.000 5.588 5.445 5.813 . 0 0 "[ . 1 .]" 1
315 1 20 G H1' 1 21 C H1' 6.000 4.000 7.000 6.064 5.685 6.327 . 0 0 "[ . 1 .]" 1
316 1 20 G H2' 1 21 C H1' 5.000 3.000 6.000 4.337 4.099 4.565 . 0 0 "[ . 1 .]" 1
317 1 20 G H2' 1 21 C H5 3.800 . 4.500 4.023 3.889 4.140 . 0 0 "[ . 1 .]" 1
318 1 20 G H1' 1 21 C H6 3.800 . 4.500 4.551 4.530 4.564 0.064 10 0 "[ . 1 .]" 1
319 1 20 G H2' 1 21 C H6 2.500 . 3.000 2.148 2.125 2.167 . 0 0 "[ . 1 .]" 1
320 1 20 G H3' 1 21 C H6 3.800 . 4.500 3.242 3.069 3.419 . 0 0 "[ . 1 .]" 1
321 1 20 G H8 1 21 C H6 5.000 3.000 6.000 4.645 4.502 4.757 . 0 0 "[ . 1 .]" 1
322 1 21 C H1' 1 21 C H5 5.000 3.000 6.000 5.293 5.270 5.322 . 0 0 "[ . 1 .]" 1
323 1 21 C H2' 1 21 C H5 5.000 3.000 6.000 5.206 5.121 5.275 . 0 0 "[ . 1 .]" 1
324 1 21 C H3' 1 21 C H5 5.000 3.000 6.000 5.118 4.980 5.229 . 0 0 "[ . 1 .]" 1
325 1 21 C H1' 1 21 C H6 3.800 . 4.500 3.550 3.517 3.588 . 0 0 "[ . 1 .]" 1
326 1 21 C H2' 1 21 C H6 3.800 . 4.500 3.758 3.652 3.846 . 0 0 "[ . 1 .]" 1
327 1 21 C H3' 1 21 C H6 3.800 . 4.500 3.179 3.007 3.303 . 0 0 "[ . 1 .]" 1
328 1 21 C H4' 1 21 C H6 3.800 . 4.500 4.229 4.202 4.256 . 0 0 "[ . 1 .]" 1
329 1 21 C H5'' 1 21 C H6 3.800 . 4.500 4.445 4.393 4.506 0.006 11 0 "[ . 1 .]" 1
330 1 21 C H1' 1 22 C H1' 6.000 4.000 7.000 6.097 5.678 6.570 . 0 0 "[ . 1 .]" 1
331 1 21 C H2' 1 22 C H1' 5.000 3.000 6.000 5.176 4.916 5.408 . 0 0 "[ . 1 .]" 1
332 1 21 C H3' 1 22 C H5 3.800 . 4.500 3.737 3.557 3.910 . 0 0 "[ . 1 .]" 1
333 1 21 C H6 1 22 C H5 6.000 4.000 7.000 4.774 4.448 5.085 . 0 0 "[ . 1 .]" 1
334 1 21 C H1' 1 22 C H6 3.800 . 4.500 4.519 4.505 4.533 0.033 13 0 "[ . 1 .]" 1
335 1 21 C H2' 1 22 C H6 2.500 . 3.000 2.172 2.148 2.190 . 0 0 "[ . 1 .]" 1
336 1 21 C H3' 1 22 C H6 3.800 . 4.500 3.978 3.883 4.062 . 0 0 "[ . 1 .]" 1
337 1 21 C H4' 1 22 C H6 6.000 4.000 7.000 5.290 5.147 5.464 . 0 0 "[ . 1 .]" 1
338 1 21 C H2' 1 22 C H5 2.500 . 3.000 2.258 2.194 2.451 . 0 0 "[ . 1 .]" 1
339 1 22 C H2' 1 22 C H5 5.000 3.000 6.000 5.180 5.118 5.282 . 0 0 "[ . 1 .]" 1
340 1 22 C H3' 1 22 C H5 5.000 3.000 6.000 4.304 4.178 4.535 . 0 0 "[ . 1 .]" 1
341 1 22 C H1' 1 22 C H6 3.800 . 4.500 3.631 3.573 3.657 . 0 0 "[ . 1 .]" 1
342 1 22 C H2' 1 22 C H6 3.800 . 4.500 3.630 3.537 3.797 . 0 0 "[ . 1 .]" 1
343 1 22 C H3' 1 22 C H6 3.800 . 4.500 2.377 2.207 2.695 . 0 0 "[ . 1 .]" 1
344 1 1 G H1 1 22 C H41 2.500 . 3.000 2.549 1.912 2.985 . 0 0 "[ . 1 .]" 1
345 1 1 G H1 1 22 C H42 3.800 . 4.500 4.109 3.541 4.482 . 0 0 "[ . 1 .]" 1
346 1 2 G H1 1 20 G H1 3.800 . 4.500 3.596 3.504 3.707 . 0 0 "[ . 1 .]" 1
347 1 2 G H1 1 20 G H21 5.000 3.000 6.000 4.410 4.287 4.605 . 0 0 "[ . 1 .]" 1
348 1 2 G H22 1 20 G H1 6.000 4.000 7.000 5.711 5.353 6.029 . 0 0 "[ . 1 .]" 1
349 1 2 G H1 1 21 C H1' 3.800 . 4.500 4.607 4.600 4.620 0.120 6 0 "[ . 1 .]" 1
350 1 2 G H1 1 21 C H6 6.000 4.000 7.000 5.581 5.573 5.589 . 0 0 "[ . 1 .]" 1
351 1 2 G H1 1 21 C H41 2.500 . 3.000 3.056 3.046 3.064 0.064 11 0 "[ . 1 .]" 1
352 1 2 G H1 1 21 C H42 3.800 . 4.500 4.483 4.469 4.493 . 0 0 "[ . 1 .]" 1
353 1 2 G H1 1 21 C H5 6.000 4.000 7.000 5.217 5.211 5.221 . 0 0 "[ . 1 .]" 1
354 1 2 G H1 1 22 C H5 5.000 . 7.000 4.680 4.213 4.968 . 0 0 "[ . 1 .]" 1
355 1 2 G H1 1 22 C H42 5.000 . 7.000 4.112 3.540 4.597 . 0 0 "[ . 1 .]" 1
356 1 3 C H41 1 20 G H1 2.500 . 3.000 3.012 3.005 3.021 0.021 13 0 "[ . 1 .]" 1
357 1 3 C H42 1 20 G H1 3.800 . 4.500 4.477 4.447 4.502 0.002 11 0 "[ . 1 .]" 1
358 1 3 C H5 1 20 G H1 5.000 3.000 6.000 5.315 5.240 5.382 . 0 0 "[ . 1 .]" 1
359 1 4 A H2 1 19 U H3 2.500 . 3.000 2.334 2.187 2.612 . 0 0 "[ . 1 .]" 1
360 1 5 G H1 1 5 G H1' 6.000 4.000 7.000 6.047 6.027 6.065 . 0 0 "[ . 1 .]" 1
361 1 5 G H1 1 5 G H2' 5.000 3.000 6.000 5.785 5.707 5.828 . 0 0 "[ . 1 .]" 1
362 1 5 G H1 1 6 A H62 6.000 4.000 7.000 5.555 5.362 6.004 . 0 0 "[ . 1 .]" 1
363 1 5 G H1 1 6 A H2 5.000 . 7.000 3.962 3.779 4.048 . 0 0 "[ . 1 .]" 1
364 1 5 G H1 1 17 U H3 5.000 . 7.000 4.747 4.503 5.127 . 0 0 "[ . 1 .]" 1
365 1 5 G H1 1 18 C H2' 6.000 4.000 7.000 5.387 4.844 5.500 . 0 0 "[ . 1 .]" 1
366 1 5 G H1 1 18 C H42 3.800 . 4.500 3.514 3.373 4.407 . 0 0 "[ . 1 .]" 1
367 1 5 G H1 1 18 C H41 2.500 . 3.000 1.957 1.793 3.001 0.007 8 0 "[ . 1 .]" 1
368 1 5 G H1 1 18 C H5 5.000 3.000 6.000 4.703 4.624 5.181 . 0 0 "[ . 1 .]" 1
369 1 5 G H1' 1 19 U H3 6.000 4.000 7.000 5.618 5.385 5.871 . 0 0 "[ . 1 .]" 1
370 1 5 G H1 1 19 U H5 6.000 4.000 7.000 5.314 5.190 5.414 . 0 0 "[ . 1 .]" 1
371 1 5 G H1 1 19 U H3 3.800 . 4.500 4.483 4.267 4.513 0.013 9 0 "[ . 1 .]" 1
372 1 6 A H61 1 17 U H3 2.500 . 3.000 2.655 2.583 2.721 . 0 0 "[ . 1 .]" 1
373 1 6 A H62 1 17 U H3 3.800 . 4.500 4.077 3.998 4.144 . 0 0 "[ . 1 .]" 1
374 1 6 A H1' 1 7 U H3 6.000 4.000 7.000 7.022 7.004 7.035 0.035 12 0 "[ . 1 .]" 1
375 1 6 A H2' 1 7 U H3 6.000 4.000 7.000 5.075 5.011 5.193 . 0 0 "[ . 1 .]" 1
376 1 7 U H3 1 7 U H3' 6.000 4.000 7.000 5.539 5.466 5.598 . 0 0 "[ . 1 .]" 1
377 1 7 U H3 1 8 U H3 5.000 3.000 6.000 3.764 3.641 3.910 . 0 0 "[ . 1 .]" 1
378 1 7 U H3 1 8 U H5 3.800 . 4.500 3.518 3.280 3.785 . 0 0 "[ . 1 .]" 1
379 1 7 U H3 1 15 A H2 5.000 . 7.000 6.007 5.936 6.111 . 0 0 "[ . 1 .]" 1
380 1 7 U H3 1 15 A H62 5.000 . 6.000 5.801 5.502 6.016 0.016 8 0 "[ . 1 .]" 1
381 1 7 U H3 1 16 A H2 2.500 . 3.000 2.823 2.469 2.970 . 0 0 "[ . 1 .]" 1
382 1 7 U H3 1 16 A H61 2.500 . 3.000 2.243 2.051 2.684 . 0 0 "[ . 1 .]" 1
383 1 7 U H3 1 16 A H62 3.800 . 4.500 3.730 3.565 4.109 . 0 0 "[ . 1 .]" 1
384 1 8 U H1' 1 8 U H3 5.000 3.000 6.000 4.591 4.582 4.604 . 0 0 "[ . 1 .]" 1
385 1 8 U H2' 1 8 U H3 5.000 3.000 6.000 4.477 4.444 4.511 . 0 0 "[ . 1 .]" 1
386 1 8 U H3 1 9 C H41 5.000 3.000 6.000 4.595 4.318 4.812 . 0 0 "[ . 1 .]" 1
387 1 8 U H3 1 9 C H42 5.000 3.000 6.000 4.612 4.326 4.803 . 0 0 "[ . 1 .]" 1
388 1 8 U H3 1 9 C H5 5.000 3.000 7.000 4.926 4.727 5.065 . 0 0 "[ . 1 .]" 1
389 1 8 U H3 1 14 G H1 5.000 . 7.000 5.075 4.944 5.226 . 0 0 "[ . 1 .]" 1
390 1 8 U H3 1 15 A H2 3.800 . 4.500 3.295 3.249 3.357 . 0 0 "[ . 1 .]" 1
391 1 8 U H3 1 15 A H61 2.500 . 3.000 1.793 1.779 1.815 0.021 14 0 "[ . 1 .]" 1
392 1 8 U H3 1 15 A H62 3.800 . 4.500 3.382 3.368 3.411 . 0 0 "[ . 1 .]" 1
393 1 8 U H3 1 16 A H62 3.800 . 4.500 3.213 3.045 3.468 . 0 0 "[ . 1 .]" 1
394 1 8 U H3 1 16 A H2 5.000 3.000 7.000 4.505 4.360 4.659 . 0 0 "[ . 1 .]" 1
395 1 9 C H41 1 14 G H1 2.500 . 3.000 2.067 1.835 2.430 . 0 0 "[ . 1 .]" 1
396 1 9 C H42 1 14 G H1 3.800 . 4.500 3.667 3.462 4.004 . 0 0 "[ . 1 .]" 1
397 1 9 C H1' 1 14 G H1 5.000 3.000 6.000 5.591 5.416 5.747 . 0 0 "[ . 1 .]" 1
398 1 9 C H3' 1 14 G H1 6.000 4.000 7.000 6.664 6.533 6.815 . 0 0 "[ . 1 .]" 1
399 1 10 U H1' 1 14 G H1 3.800 . 4.500 3.815 3.629 3.944 . 0 0 "[ . 1 .]" 1
400 1 14 G H1 1 15 A H61 5.000 3.000 6.000 5.135 4.965 5.274 . 0 0 "[ . 1 .]" 1
401 1 14 G H1 1 15 A H1' 5.000 . 7.000 4.462 4.321 4.719 . 0 0 "[ . 1 .]" 1
402 1 14 G H1 1 15 A H2 5.000 . 7.000 4.420 4.255 4.549 . 0 0 "[ . 1 .]" 1
403 1 14 G H1 1 15 A H62 5.000 3.000 6.000 5.055 4.804 5.264 . 0 0 "[ . 1 .]" 1
404 1 17 U H1' 1 17 U H3 5.000 3.000 6.000 4.555 4.513 4.583 . 0 0 "[ . 1 .]" 1
405 1 17 U H3 1 18 C H41 5.000 3.000 7.000 4.042 3.721 4.303 . 0 0 "[ . 1 .]" 1
406 1 17 U H3 1 18 C H42 5.000 3.000 7.000 3.905 3.519 4.364 . 0 0 "[ . 1 .]" 1
407 1 18 C H2' 1 19 U H3 6.000 4.000 7.000 5.381 5.299 5.466 . 0 0 "[ . 1 .]" 1
408 1 19 U H1' 1 19 U H3 5.000 3.000 6.000 4.564 4.545 4.579 . 0 0 "[ . 1 .]" 1
409 1 19 U H2' 1 19 U H3 6.000 4.000 7.000 4.681 4.638 4.730 . 0 0 "[ . 1 .]" 1
410 1 19 U H3 1 20 G H22 6.000 4.000 7.000 5.070 4.884 5.323 . 0 0 "[ . 1 .]" 1
411 1 4 A H61 1 20 G H1 5.000 3.000 6.000 3.730 3.299 4.078 . 0 0 "[ . 1 .]" 1
412 1 4 A H62 1 20 G H1 5.000 3.000 6.000 3.811 3.461 4.107 . 0 0 "[ . 1 .]" 1
413 1 20 G H1 1 20 G H1' 6.000 4.000 7.000 6.072 6.024 6.115 . 0 0 "[ . 1 .]" 1
414 1 20 G H1 1 21 C H1' 5.000 3.000 6.000 4.386 4.085 4.863 . 0 0 "[ . 1 .]" 1
415 1 20 G H1 1 21 C H41 5.000 3.000 6.000 4.211 3.867 4.683 . 0 0 "[ . 1 .]" 1
416 1 20 G H1 1 21 C H42 5.000 3.000 6.000 4.686 4.288 5.210 . 0 0 "[ . 1 .]" 1
417 1 20 G H1 1 21 C H5 6.000 4.000 7.000 4.711 4.390 5.128 . 0 0 "[ . 1 .]" 1
418 1 20 G H1 1 21 C H6 6.000 4.000 7.000 4.910 4.720 5.113 . 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 46
_Distance_constraint_stats_list.Viol_count 224
_Distance_constraint_stats_list.Viol_total 54.387
_Distance_constraint_stats_list.Viol_max 0.065
_Distance_constraint_stats_list.Viol_rms 0.0103
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0053
_Distance_constraint_stats_list.Viol_average_violations_only 0.0162
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 G 0.112 0.012 1 0 "[ . 1 .]"
1 2 G 0.386 0.031 5 0 "[ . 1 .]"
1 3 C 0.289 0.034 10 0 "[ . 1 .]"
1 4 A 0.775 0.047 9 0 "[ . 1 .]"
1 5 G 0.240 0.020 11 0 "[ . 1 .]"
1 6 A 1.278 0.065 7 0 "[ . 1 .]"
1 7 U 0.214 0.027 6 0 "[ . 1 .]"
1 8 U 0.150 0.011 6 0 "[ . 1 .]"
1 9 C 0.182 0.018 5 0 "[ . 1 .]"
1 14 G 0.182 0.018 5 0 "[ . 1 .]"
1 15 A 0.150 0.011 6 0 "[ . 1 .]"
1 16 A 0.214 0.027 6 0 "[ . 1 .]"
1 17 U 1.278 0.065 7 0 "[ . 1 .]"
1 18 C 0.240 0.020 11 0 "[ . 1 .]"
1 19 U 0.775 0.047 9 0 "[ . 1 .]"
1 20 G 0.289 0.034 10 0 "[ . 1 .]"
1 21 C 0.386 0.031 5 0 "[ . 1 .]"
1 22 C 0.112 0.012 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 22 C N3 1.900 . 2.100 2.080 2.035 2.104 0.004 11 0 "[ . 1 .]" 2
2 1 1 G N1 1 22 C N3 2.900 2.600 3.200 3.073 3.045 3.103 . 0 0 "[ . 1 .]" 2
3 1 1 G O6 1 22 C H41 2.000 . 2.200 1.830 1.809 1.911 . 0 0 "[ . 1 .]" 2
4 1 1 G O6 1 22 C N4 2.900 2.600 3.200 2.825 2.769 2.907 . 0 0 "[ . 1 .]" 2
5 1 1 G H21 1 22 C O2 2.000 . 2.200 2.190 2.102 2.212 0.012 11 0 "[ . 1 .]" 2
6 1 1 G N2 1 22 C O2 2.900 2.600 3.200 3.189 3.106 3.212 0.012 1 0 "[ . 1 .]" 2
7 1 2 G H1 1 21 C N3 1.900 . 2.100 1.871 1.865 1.876 . 0 0 "[ . 1 .]" 2
8 1 2 G N1 1 21 C N3 2.900 2.600 3.200 2.823 2.817 2.828 . 0 0 "[ . 1 .]" 2
9 1 2 G O6 1 21 C H41 2.000 . 2.200 1.813 1.796 1.824 0.004 13 0 "[ . 1 .]" 2
10 1 2 G O6 1 21 C N4 2.900 2.600 3.200 2.784 2.767 2.797 . 0 0 "[ . 1 .]" 2
11 1 2 G H21 1 21 C O2 2.000 . 2.200 1.774 1.769 1.787 0.031 5 0 "[ . 1 .]" 2
12 1 2 G N2 1 21 C O2 2.900 2.600 3.200 2.746 2.735 2.762 . 0 0 "[ . 1 .]" 2
13 1 3 C N3 1 20 G H1 1.900 . 2.100 1.996 1.906 2.080 . 0 0 "[ . 1 .]" 2
14 1 3 C N3 1 20 G N1 2.900 2.600 3.200 2.982 2.878 3.074 . 0 0 "[ . 1 .]" 2
15 1 3 C H41 1 20 G O6 2.000 . 2.200 2.073 1.809 2.215 0.015 11 0 "[ . 1 .]" 2
16 1 3 C N4 1 20 G O6 2.900 2.600 3.200 3.054 2.786 3.198 . 0 0 "[ . 1 .]" 2
17 1 3 C O2 1 20 G H21 2.000 . 2.200 1.789 1.766 1.874 0.034 10 0 "[ . 1 .]" 2
18 1 3 C O2 1 20 G N2 2.900 2.600 3.200 2.789 2.767 2.865 . 0 0 "[ . 1 .]" 2
19 1 4 A N1 1 19 U H3 1.900 . 2.100 2.129 2.117 2.147 0.047 9 0 "[ . 1 .]" 2
20 1 4 A N1 1 19 U N3 2.900 2.600 3.200 3.033 2.994 3.085 . 0 0 "[ . 1 .]" 2
21 1 4 A H61 1 19 U O4 2.000 . 2.200 1.778 1.762 1.795 0.038 9 0 "[ . 1 .]" 2
22 1 4 A N6 1 19 U O4 2.900 2.600 3.200 2.706 2.666 2.778 . 0 0 "[ . 1 .]" 2
23 1 5 G H1 1 18 C N3 1.900 . 2.100 1.834 1.820 1.855 . 0 0 "[ . 1 .]" 2
24 1 5 G N1 1 18 C N3 2.900 2.600 3.200 2.808 2.794 2.829 . 0 0 "[ . 1 .]" 2
25 1 5 G O6 1 18 C H41 2.000 . 2.200 1.793 1.787 1.807 0.013 8 0 "[ . 1 .]" 2
26 1 5 G O6 1 18 C N4 2.900 2.600 3.200 2.750 2.737 2.765 . 0 0 "[ . 1 .]" 2
27 1 5 G H21 1 18 C O2 2.000 . 2.200 1.796 1.780 1.846 0.020 11 0 "[ . 1 .]" 2
28 1 5 G N2 1 18 C O2 2.900 2.600 3.200 2.733 2.704 2.781 . 0 0 "[ . 1 .]" 2
29 1 6 A N1 1 17 U H3 1.900 . 2.100 1.664 1.635 1.691 0.065 7 0 "[ . 1 .]" 2
30 1 6 A N1 1 17 U N3 2.900 2.600 3.200 2.660 2.608 2.696 . 0 0 "[ . 1 .]" 2
31 1 6 A H61 1 17 U O4 2.000 . 2.200 2.234 2.229 2.240 0.040 7 0 "[ . 1 .]" 2
32 1 6 A N6 1 17 U O4 2.900 2.600 3.200 3.216 3.210 3.224 0.024 7 0 "[ . 1 .]" 2
33 1 7 U H3 1 16 A N1 1.900 . 2.100 1.689 1.673 1.699 0.027 6 0 "[ . 1 .]" 2
34 1 7 U N3 1 16 A N1 2.900 2.600 3.200 2.646 2.612 2.690 . 0 0 "[ . 1 .]" 2
35 1 7 U O4 1 16 A H61 2.000 . 2.200 2.132 2.061 2.210 0.010 6 0 "[ . 1 .]" 2
36 1 7 U O4 1 16 A N6 2.900 2.600 3.200 3.138 3.055 3.212 0.012 9 0 "[ . 1 .]" 2
37 1 8 U H3 1 15 A N1 1.900 . 2.100 1.888 1.841 1.954 . 0 0 "[ . 1 .]" 2
38 1 8 U N3 1 15 A N1 2.900 2.600 3.200 2.784 2.728 2.860 . 0 0 "[ . 1 .]" 2
39 1 8 U O4 1 15 A H61 2.000 . 2.200 2.205 2.201 2.210 0.010 6 0 "[ . 1 .]" 2
40 1 8 U O4 1 15 A N6 2.900 2.600 3.200 3.205 3.196 3.211 0.011 6 0 "[ . 1 .]" 2
41 1 9 C N3 1 14 G H1 1.900 . 2.100 1.995 1.904 2.054 . 0 0 "[ . 1 .]" 2
42 1 9 C N3 1 14 G N1 2.900 2.600 3.200 2.975 2.894 3.055 . 0 0 "[ . 1 .]" 2
43 1 9 C H41 1 14 G O6 2.000 . 2.200 2.094 1.889 2.212 0.012 2 0 "[ . 1 .]" 2
44 1 9 C N4 1 14 G O6 2.900 2.600 3.200 3.088 2.875 3.208 0.008 1 0 "[ . 1 .]" 2
45 1 9 C O2 1 14 G H21 2.000 . 2.200 1.793 1.782 1.820 0.018 5 0 "[ . 1 .]" 2
46 1 9 C O2 1 14 G N2 2.900 2.600 3.200 2.724 2.658 2.782 . 0 0 "[ . 1 .]" 2
stop_
save_
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