NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
616956 |
5uf3   |
30224 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5uf3
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 322
_Distance_constraint_stats_list.Viol_count 636
_Distance_constraint_stats_list.Viol_total 2870.156
_Distance_constraint_stats_list.Viol_max 2.147
_Distance_constraint_stats_list.Viol_rms 0.3726
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1393
_Distance_constraint_stats_list.Viol_average_violations_only 0.5641
_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 21.333 2.011 6 8 [***-*+**]
1 2 G 14.465 1.569 3 8 [**+***-*]
1 3 A 8.745 1.458 4 4 "[ * +*- ]"
1 4 C 25.358 1.658 7 8 [****-*+*]
1 5 A 21.437 0.950 8 8 [****-**+]
1 6 U 28.160 1.844 7 8 [*****-+*]
1 7 A 22.310 1.467 8 8 [-******+]
1 8 A 31.392 1.814 1 8 [+*****-*]
1 9 G 0.000 0.000 . 0 "[ . ]"
1 10 G 0.000 0.000 . 0 "[ . ]"
1 12 A 4.793 0.913 3 7 "[**+ -***]"
1 13 A 14.497 1.011 3 8 [**+*-***]
1 14 A 45.082 2.147 7 8 [-*****+*]
1 15 C 44.733 2.147 7 8 [-*****+*]
1 16 C 46.374 1.695 1 8 [+******-]
1 17 U 18.908 1.230 4 8 [***+*-**]
1 18 A 9.145 1.152 4 6 "[* +***-]"
1 19 U 24.730 1.838 2 8 [*+***-**]
1 20 G 38.744 2.031 6 8 [*-***+**]
1 21 U 47.309 1.765 5 8 [-***+***]
1 22 C 45.420 1.769 1 8 [+*******]
1 23 C 29.600 1.927 8 8 [******-+]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 G H1' 1 1 G H8 4.500 . 4.500 3.722 3.720 3.725 . 0 0 "[ . ]" 1
2 1 1 G H1' 1 2 G H8 4.500 . 4.500 4.612 4.578 4.674 0.174 4 0 "[ . ]" 1
3 1 2 G H1' 1 2 G H8 4.500 . 4.500 3.670 3.665 3.675 . 0 0 "[ . ]" 1
4 1 2 G H1' 1 3 A H8 4.500 . 4.500 4.584 4.521 4.626 0.126 4 0 "[ . ]" 1
5 1 3 A H1' 1 3 A H8 4.500 . 4.500 3.706 3.704 3.709 . 0 0 "[ . ]" 1
6 1 3 A H1' 1 4 C H6 5.500 . 5.500 5.033 4.869 5.252 . 0 0 "[ . ]" 1
7 1 4 C H1' 1 4 C H6 4.500 . 4.500 3.626 3.601 3.662 . 0 0 "[ . ]" 1
8 1 4 C H1' 1 5 A H8 4.500 . 4.500 4.518 4.465 4.570 0.070 5 0 "[ . ]" 1
9 1 5 A H1' 1 5 A H8 4.500 . 4.500 3.685 3.679 3.694 . 0 0 "[ . ]" 1
10 1 5 A H1' 1 6 U H6 4.500 . 4.500 4.810 4.788 4.828 0.328 8 0 "[ . ]" 1
11 1 6 U H1' 1 6 U H6 4.500 . 4.500 3.557 3.541 3.562 . 0 0 "[ . ]" 1
12 1 6 U H1' 1 7 A H8 4.500 . 4.500 4.601 4.557 4.623 0.123 1 0 "[ . ]" 1
13 1 7 A H1' 1 7 A H8 4.500 . 4.500 3.712 3.709 3.717 . 0 0 "[ . ]" 1
14 1 7 A H1' 1 8 A H8 5.500 . 5.500 4.264 4.126 4.323 . 0 0 "[ . ]" 1
15 1 8 A H1' 1 8 A H8 5.500 . 5.500 3.718 3.703 3.727 . 0 0 "[ . ]" 1
16 1 8 A H1' 1 9 G H8 5.500 . 5.500 4.565 4.546 4.585 . 0 0 "[ . ]" 1
17 1 9 G H1' 1 9 G H8 5.500 . 5.500 3.716 3.711 3.720 . 0 0 "[ . ]" 1
18 1 9 G H1' 1 10 G H8 5.500 . 5.500 4.677 4.639 4.720 . 0 0 "[ . ]" 1
19 1 10 G H1' 1 10 G H8 5.500 . 5.500 3.718 3.716 3.723 . 0 0 "[ . ]" 1
20 1 12 A H1' 1 12 A H8 5.500 . 5.500 3.866 3.863 3.870 . 0 0 "[ . ]" 1
21 1 12 A H1' 1 13 A H8 6.500 . 6.500 5.531 5.421 5.615 . 0 0 "[ . ]" 1
22 1 13 A H1' 1 13 A H8 5.500 . 5.500 3.853 3.849 3.855 . 0 0 "[ . ]" 1
23 1 13 A H1' 1 14 A H8 5.500 . 5.500 5.661 5.627 5.680 0.180 3 0 "[ . ]" 1
24 1 14 A H1' 1 14 A H8 4.500 . 4.500 3.869 3.868 3.871 . 0 0 "[ . ]" 1
25 1 14 A H1' 1 15 C H6 5.500 . 5.500 5.492 5.381 5.534 0.034 5 0 "[ . ]" 1
26 1 15 C H1' 1 15 C H6 4.500 . 4.500 3.573 3.567 3.581 . 0 0 "[ . ]" 1
27 1 15 C H1' 1 16 C H6 5.500 . 5.500 5.495 5.450 5.547 0.047 2 0 "[ . ]" 1
28 1 16 C H1' 1 16 C H6 4.500 . 4.500 3.666 3.657 3.681 . 0 0 "[ . ]" 1
29 1 16 C H1' 1 17 U H6 5.500 . 5.500 5.031 4.900 5.089 . 0 0 "[ . ]" 1
30 1 17 U H1' 1 17 U H6 4.500 . 4.500 3.516 3.500 3.522 . 0 0 "[ . ]" 1
31 1 17 U H1' 1 18 A H8 4.500 . 4.500 4.398 4.389 4.415 . 0 0 "[ . ]" 1
32 1 18 A H1' 1 18 A H8 4.500 . 4.500 3.650 3.646 3.654 . 0 0 "[ . ]" 1
33 1 18 A H1' 1 19 U H6 5.500 . 5.500 4.971 4.937 4.989 . 0 0 "[ . ]" 1
34 1 19 U H1' 1 19 U H6 5.500 . 5.500 3.560 3.558 3.563 . 0 0 "[ . ]" 1
35 1 19 U H1' 1 20 G H8 5.500 . 5.500 4.742 4.605 4.800 . 0 0 "[ . ]" 1
36 1 20 G H1' 1 20 G H8 4.500 . 4.500 3.721 3.719 3.723 . 0 0 "[ . ]" 1
37 1 20 G H1' 1 21 U H6 4.500 . 4.500 4.516 4.452 4.574 0.074 2 0 "[ . ]" 1
38 1 21 U H1' 1 21 U H6 4.500 . 4.500 3.468 3.463 3.481 . 0 0 "[ . ]" 1
39 1 21 U H1' 1 22 C H6 4.500 . 4.500 4.702 4.686 4.732 0.232 2 0 "[ . ]" 1
40 1 22 C H1' 1 22 C H6 4.500 . 4.500 3.563 3.560 3.569 . 0 0 "[ . ]" 1
41 1 22 C H1' 1 23 C H6 5.500 . 5.500 4.886 4.834 4.987 . 0 0 "[ . ]" 1
42 1 23 C H1' 1 23 C H6 4.500 . 4.500 3.562 3.551 3.574 . 0 0 "[ . ]" 1
43 1 1 G H1' 1 2 G H1' 6.500 . 6.500 5.964 5.941 6.000 . 0 0 "[ . ]" 1
44 1 2 G H1' 1 3 A H1' 6.500 . 6.500 5.777 5.727 5.825 . 0 0 "[ . ]" 1
45 1 4 C H1' 1 5 A H1' 5.500 . 5.500 5.060 4.984 5.170 . 0 0 "[ . ]" 1
46 1 5 A H1' 1 6 U H1' 5.500 . 5.500 6.335 6.278 6.450 0.950 8 8 [*****-*+] 1
47 1 6 U H1' 1 7 A H1' 5.500 . 5.500 5.737 5.718 5.759 0.259 4 0 "[ . ]" 1
48 1 19 U H1' 1 20 G H1' 5.500 . 5.500 5.717 5.689 5.809 0.309 8 0 "[ . ]" 1
49 1 20 G H1' 1 21 U H1' 6.500 . 6.500 6.371 6.361 6.387 . 0 0 "[ . ]" 1
50 1 21 U H1' 1 22 C H1' 6.500 . 6.500 5.192 5.141 5.205 . 0 0 "[ . ]" 1
51 1 22 C H1' 1 23 C H1' 6.500 . 6.500 5.948 5.906 6.045 . 0 0 "[ . ]" 1
52 1 1 G H8 1 2 G H8 5.500 . 5.500 4.650 4.534 4.753 . 0 0 "[ . ]" 1
53 1 2 G H8 1 3 A H8 5.500 . 5.500 4.941 4.846 5.038 . 0 0 "[ . ]" 1
54 1 3 A H8 1 4 C H6 5.500 . 5.500 5.230 5.137 5.367 . 0 0 "[ . ]" 1
55 1 4 C H6 1 5 A H8 5.500 . 5.500 4.226 4.153 4.299 . 0 0 "[ . ]" 1
56 1 5 A H8 1 6 U H6 5.500 . 5.500 5.489 5.439 5.519 0.019 4 0 "[ . ]" 1
57 1 6 U H6 1 7 A H8 5.500 . 5.500 5.012 4.967 5.053 . 0 0 "[ . ]" 1
58 1 7 A H8 1 8 A H8 5.500 . 5.500 5.531 5.500 5.589 0.089 8 0 "[ . ]" 1
59 1 8 A H8 1 9 G H8 5.500 . 5.500 4.559 4.525 4.605 . 0 0 "[ . ]" 1
60 1 9 G H8 1 10 G H8 5.500 . 5.500 4.630 4.530 4.674 . 0 0 "[ . ]" 1
61 1 12 A H8 1 13 A H8 5.500 . 5.500 4.677 4.649 4.700 . 0 0 "[ . ]" 1
62 1 13 A H8 1 14 A H8 5.500 . 5.500 4.434 4.367 4.567 . 0 0 "[ . ]" 1
63 1 14 A H8 1 15 C H6 5.500 . 5.500 2.864 2.799 2.969 . 0 0 "[ . ]" 1
64 1 15 C H6 1 16 C H6 5.500 . 5.500 5.133 5.101 5.149 . 0 0 "[ . ]" 1
65 1 16 C H6 1 17 U H6 5.500 . 5.500 4.460 4.245 4.548 . 0 0 "[ . ]" 1
66 1 17 U H6 1 18 A H8 5.500 . 5.500 4.370 4.356 4.391 . 0 0 "[ . ]" 1
67 1 18 A H8 1 19 U H6 5.500 . 5.500 5.699 5.672 5.751 0.251 8 0 "[ . ]" 1
68 1 19 U H6 1 20 G H8 5.500 . 5.500 5.096 5.025 5.151 . 0 0 "[ . ]" 1
69 1 20 G H8 1 21 U H6 5.500 . 5.500 4.890 4.863 4.922 . 0 0 "[ . ]" 1
70 1 21 U H6 1 22 C H6 5.500 . 5.500 4.991 4.980 5.006 . 0 0 "[ . ]" 1
71 1 22 C H6 1 23 C H6 5.500 . 5.500 4.820 4.787 4.860 . 0 0 "[ . ]" 1
72 1 1 G H8 1 1 G HO2' 3.500 . 3.500 5.311 4.924 5.511 2.011 6 8 [*****+-*] 1
73 1 1 G H3' 1 1 G H8 2.500 . 2.500 2.664 2.616 2.722 0.222 8 0 "[ . ]" 1
74 1 1 G H4' 1 1 G H8 4.500 . 4.500 4.130 4.077 4.196 . 0 0 "[ . ]" 1
75 1 1 G H5' 1 1 G H8 3.500 . 3.500 3.061 2.954 3.129 . 0 0 "[ . ]" 1
76 1 1 G H5'' 1 1 G H8 4.500 . 4.500 4.130 4.034 4.267 . 0 0 "[ . ]" 1
77 1 1 G HO2' 1 2 G H8 4.500 . 4.500 4.043 3.675 4.686 0.186 7 0 "[ . ]" 1
78 1 1 G H3' 1 2 G H8 4.500 . 4.500 3.071 3.024 3.139 . 0 0 "[ . ]" 1
79 1 1 G H4' 1 2 G H8 5.500 . 5.500 5.391 5.380 5.417 . 0 0 "[ . ]" 1
80 1 1 G H5' 1 2 G H8 6.500 . 6.500 6.477 6.372 6.544 0.044 2 0 "[ . ]" 1
81 1 1 G H5'' 1 2 G H8 6.500 . 6.500 6.347 6.283 6.385 . 0 0 "[ . ]" 1
82 1 2 G H3' 1 2 G H8 2.500 . 2.500 3.029 2.987 3.056 0.556 8 7 "[*** **-+]" 1
83 1 2 G H4' 1 2 G H8 4.500 . 4.500 4.269 4.246 4.287 . 0 0 "[ . ]" 1
84 1 2 G H5' 1 2 G H8 3.500 . 3.500 3.524 3.495 3.544 0.044 8 0 "[ . ]" 1
85 1 2 G H5'' 1 2 G H8 4.500 . 4.500 4.226 4.169 4.262 . 0 0 "[ . ]" 1
86 1 2 G HO2' 1 3 A H8 4.500 . 4.500 4.022 3.661 4.753 0.253 4 0 "[ . ]" 1
87 1 2 G H3' 1 3 A H8 4.500 . 4.500 3.057 3.019 3.104 . 0 0 "[ . ]" 1
88 1 3 A H4' 1 3 A H8 4.500 . 4.500 4.270 4.239 4.319 . 0 0 "[ . ]" 1
89 1 3 A H5' 1 3 A H8 3.500 . 3.500 3.556 3.516 3.619 0.119 8 0 "[ . ]" 1
90 1 3 A H5'' 1 3 A H8 4.500 . 4.500 4.200 4.135 4.297 . 0 0 "[ . ]" 1
91 1 3 A HO2' 1 4 C H6 4.500 . 4.500 4.521 3.865 5.192 0.692 2 2 "[ + .- ]" 1
92 1 3 A H3' 1 4 C H6 4.500 . 4.500 3.391 3.353 3.440 . 0 0 "[ . ]" 1
93 1 3 A H4' 1 4 C H6 5.500 . 5.500 5.704 5.625 5.789 0.289 2 0 "[ . ]" 1
94 1 4 C H6 1 4 C HO2' 3.500 . 3.500 4.900 4.666 5.158 1.658 7 8 [*-****+*] 1
95 1 4 C H3' 1 4 C H6 2.500 . 2.500 2.453 2.281 2.565 0.065 5 0 "[ . ]" 1
96 1 4 C H4' 1 4 C H6 4.500 . 4.500 3.940 3.908 3.976 . 0 0 "[ . ]" 1
97 1 4 C H5' 1 4 C H6 3.500 . 3.500 3.443 3.414 3.489 . 0 0 "[ . ]" 1
98 1 4 C H5'' 1 4 C H6 4.500 . 4.500 3.953 3.848 4.031 . 0 0 "[ . ]" 1
99 1 4 C HO2' 1 5 A H8 4.500 . 4.500 4.412 3.861 4.803 0.303 5 0 "[ . ]" 1
100 1 4 C H3' 1 5 A H8 4.500 . 4.500 3.119 3.090 3.192 . 0 0 "[ . ]" 1
101 1 4 C H4' 1 5 A H8 5.500 . 5.500 5.474 5.450 5.521 0.021 8 0 "[ . ]" 1
102 1 5 A HO2' 1 6 U H6 4.500 . 4.500 4.297 3.357 4.633 0.133 4 0 "[ . ]" 1
103 1 5 A H3' 1 6 U H6 4.500 . 4.500 3.549 3.523 3.615 . 0 0 "[ . ]" 1
104 1 5 A H4' 1 6 U H6 5.500 . 5.500 5.539 5.517 5.596 0.096 8 0 "[ . ]" 1
105 1 6 U H6 1 6 U HO2' 3.500 . 3.500 5.011 4.788 5.344 1.844 7 8 [***-**+*] 1
106 1 6 U H3' 1 6 U H6 2.500 . 2.500 2.775 2.741 2.863 0.363 8 0 "[ . ]" 1
107 1 6 U H4' 1 6 U H6 4.500 . 4.500 4.019 4.003 4.078 . 0 0 "[ . ]" 1
108 1 6 U H5' 1 6 U H6 3.500 . 3.500 3.394 3.369 3.471 . 0 0 "[ . ]" 1
109 1 6 U H5'' 1 6 U H6 4.500 . 4.500 4.063 4.029 4.186 . 0 0 "[ . ]" 1
110 1 6 U HO2' 1 7 A H8 4.500 . 4.500 4.109 3.470 4.487 . 0 0 "[ . ]" 1
111 1 6 U H3' 1 7 A H8 4.500 . 4.500 3.212 3.196 3.262 . 0 0 "[ . ]" 1
112 1 7 A H8 1 7 A HO2' 4.500 . 4.500 5.220 5.080 5.465 0.965 4 8 [-**+****] 1
113 1 7 A H3' 1 7 A H8 2.500 . 2.500 2.774 2.747 2.841 0.341 8 0 "[ . ]" 1
114 1 7 A H4' 1 7 A H8 4.500 . 4.500 4.121 4.091 4.180 . 0 0 "[ . ]" 1
115 1 7 A H5' 1 7 A H8 3.500 . 3.500 3.381 3.325 3.497 . 0 0 "[ . ]" 1
116 1 7 A H5'' 1 7 A H8 4.500 . 4.500 3.974 3.914 4.114 . 0 0 "[ . ]" 1
117 1 7 A HO2' 1 8 A H8 4.500 . 4.500 3.699 3.399 3.958 . 0 0 "[ . ]" 1
118 1 8 A H8 1 8 A HO2' 3.500 . 3.500 5.134 5.067 5.314 1.814 1 8 [+*-*****] 1
119 1 8 A H3' 1 8 A H8 2.500 . 2.500 3.039 2.991 3.073 0.573 4 7 "[ **+**-*]" 1
120 1 8 A H4' 1 8 A H8 4.500 . 4.500 4.418 4.392 4.449 . 0 0 "[ . ]" 1
121 1 8 A H5' 1 8 A H8 3.500 . 3.500 3.905 3.833 3.966 0.466 4 0 "[ . ]" 1
122 1 8 A H5'' 1 8 A H8 4.500 . 4.500 4.499 4.444 4.548 0.048 4 0 "[ . ]" 1
123 1 12 A HO2' 1 13 A H8 4.500 . 4.500 5.099 4.967 5.413 0.913 3 7 "[**+ -***]" 1
124 1 12 A H3' 1 13 A H8 4.500 . 4.500 3.515 3.488 3.532 . 0 0 "[ . ]" 1
125 1 13 A H5'' 1 13 A H8 4.500 . 4.500 3.788 3.768 3.818 . 0 0 "[ . ]" 1
126 1 13 A HO2' 1 14 A H8 4.500 . 4.500 5.321 4.695 5.511 1.011 3 7 [-*+*.***] 1
127 1 13 A H3' 1 14 A H8 4.500 . 4.500 3.351 3.325 3.389 . 0 0 "[ . ]" 1
128 1 14 A H8 1 14 A HO2' 3.500 . 3.500 4.857 4.769 5.092 1.592 1 8 [+******-] 1
129 1 14 A H3' 1 14 A H8 2.500 . 2.500 2.008 1.963 2.032 . 0 0 "[ . ]" 1
130 1 14 A H5' 1 14 A H8 3.500 . 3.500 3.714 3.696 3.725 0.225 3 0 "[ . ]" 1
131 1 14 A H5'' 1 14 A H8 4.500 . 4.500 3.822 3.803 3.833 . 0 0 "[ . ]" 1
132 1 14 A HO2' 1 15 C H6 4.500 . 4.500 5.347 4.996 5.548 1.048 4 7 "[- *+****]" 1
133 1 14 A H3' 1 15 C H6 4.500 . 4.500 2.291 2.228 2.414 . 0 0 "[ . ]" 1
134 1 15 C H4' 1 15 C H6 4.500 . 4.500 3.954 3.946 3.964 . 0 0 "[ . ]" 1
135 1 15 C H5' 1 15 C H6 3.500 . 3.500 3.494 3.470 3.518 0.018 1 0 "[ . ]" 1
136 1 15 C H5'' 1 15 C H6 4.500 . 4.500 3.831 3.819 3.847 . 0 0 "[ . ]" 1
137 1 15 C HO2' 1 16 C H6 4.500 . 4.500 5.350 4.717 5.564 1.064 2 7 "[ +-*****]" 1
138 1 15 C H3' 1 16 C H6 4.500 . 4.500 3.462 3.434 3.488 . 0 0 "[ . ]" 1
139 1 16 C H6 1 16 C HO2' 3.500 . 3.500 4.862 4.675 5.195 1.695 1 8 [+**-****] 1
140 1 16 C H3' 1 16 C H6 2.500 . 2.500 2.251 2.210 2.283 . 0 0 "[ . ]" 1
141 1 16 C H4' 1 16 C H6 4.500 . 4.500 4.013 3.984 4.046 . 0 0 "[ . ]" 1
142 1 16 C H5' 1 16 C H6 3.500 . 3.500 3.654 3.617 3.737 0.237 8 0 "[ . ]" 1
143 1 16 C H5'' 1 16 C H6 4.500 . 4.500 3.960 3.925 4.003 . 0 0 "[ . ]" 1
144 1 16 C HO2' 1 17 U H6 4.500 . 4.500 4.744 3.941 5.205 0.705 4 3 "[ * +.- ]" 1
145 1 17 U HO2' 1 18 A H8 3.500 2.100 3.500 4.319 3.769 4.652 1.152 4 6 "[* +***-]" 1
146 1 17 U H3' 1 18 A H8 4.500 . 4.500 3.098 3.074 3.162 . 0 0 "[ . ]" 1
147 1 19 U H6 1 19 U HO2' 3.500 . 3.500 5.007 4.894 5.338 1.838 2 8 [*+*-****] 1
148 1 19 U H3' 1 19 U H6 2.500 . 2.500 2.733 2.715 2.775 0.275 8 0 "[ . ]" 1
149 1 19 U H4' 1 19 U H6 4.500 . 4.500 4.027 4.015 4.061 . 0 0 "[ . ]" 1
150 1 19 U H5' 1 19 U H6 3.500 . 3.500 3.460 3.435 3.507 0.007 8 0 "[ . ]" 1
151 1 19 U H5'' 1 19 U H6 4.500 . 4.500 4.068 4.045 4.133 . 0 0 "[ . ]" 1
152 1 19 U HO2' 1 20 G H8 4.500 . 4.500 4.288 3.487 4.588 0.088 4 0 "[ . ]" 1
153 1 19 U H3' 1 20 G H8 4.500 . 4.500 3.423 3.379 3.485 . 0 0 "[ . ]" 1
154 1 19 U H4' 1 20 G H8 5.500 . 5.500 5.511 5.456 5.546 0.046 2 0 "[ . ]" 1
155 1 19 U H5'' 1 20 G H8 6.500 . 6.500 6.319 6.276 6.358 . 0 0 "[ . ]" 1
156 1 20 G H8 1 20 G HO2' 3.500 . 3.500 5.174 4.988 5.531 2.031 6 8 [*****+-*] 1
157 1 20 G H3' 1 20 G H8 2.500 . 2.500 2.765 2.742 2.780 0.280 3 0 "[ . ]" 1
158 1 20 G H4' 1 20 G H8 4.500 . 4.500 4.227 4.210 4.241 . 0 0 "[ . ]" 1
159 1 20 G H5' 1 20 G H8 3.500 . 3.500 3.615 3.583 3.642 0.142 4 0 "[ . ]" 1
160 1 20 G H5'' 1 20 G H8 4.500 . 4.500 4.193 4.170 4.222 . 0 0 "[ . ]" 1
161 1 20 G HO2' 1 21 U H6 4.500 . 4.500 4.212 3.407 4.655 0.155 7 0 "[ . ]" 1
162 1 20 G H3' 1 21 U H6 4.500 . 4.500 3.480 3.450 3.510 . 0 0 "[ . ]" 1
163 1 20 G H4' 1 21 U H6 5.500 . 5.500 5.545 5.533 5.581 0.081 2 0 "[ . ]" 1
164 1 20 G H5' 1 21 U H6 6.500 . 6.500 6.941 6.919 6.973 0.473 2 0 "[ . ]" 1
165 1 20 G H5'' 1 21 U H6 6.500 . 6.500 6.441 6.417 6.468 . 0 0 "[ . ]" 1
166 1 21 U H6 1 21 U HO2' 3.500 . 3.500 4.968 4.847 5.172 1.672 6 8 [*****+*-] 1
167 1 21 U H3' 1 21 U H6 2.500 . 2.500 3.220 3.202 3.237 0.737 8 8 [*****-*+] 1
168 1 21 U H4' 1 21 U H6 4.500 . 4.500 4.189 4.171 4.215 . 0 0 "[ . ]" 1
169 1 21 U H5'' 1 21 U H6 4.500 . 4.500 4.429 4.397 4.462 . 0 0 "[ . ]" 1
170 1 21 U HO2' 1 22 C H6 4.500 . 4.500 4.608 4.161 4.739 0.239 8 0 "[ . ]" 1
171 1 21 U H3' 1 22 C H6 4.500 . 4.500 3.044 3.021 3.068 . 0 0 "[ . ]" 1
172 1 22 C H6 1 22 C HO2' 3.500 . 3.500 4.983 4.781 5.269 1.769 1 8 [+****-**] 1
173 1 22 C H3' 1 22 C H6 2.500 . 2.500 2.645 2.629 2.662 0.162 1 0 "[ . ]" 1
174 1 22 C H4' 1 22 C H6 4.500 . 4.500 4.043 4.033 4.050 . 0 0 "[ . ]" 1
175 1 22 C H5' 1 22 C H6 3.500 . 3.500 3.526 3.507 3.545 0.045 2 0 "[ . ]" 1
176 1 22 C H5'' 1 22 C H6 4.500 . 4.500 4.022 4.006 4.039 . 0 0 "[ . ]" 1
177 1 22 C HO2' 1 23 C H6 4.500 . 4.500 4.535 3.971 4.870 0.370 2 0 "[ . ]" 1
178 1 22 C H3' 1 23 C H6 4.500 . 4.500 3.201 3.176 3.231 . 0 0 "[ . ]" 1
179 1 22 C H4' 1 23 C H6 5.500 . 5.500 5.504 5.467 5.566 0.066 4 0 "[ . ]" 1
180 1 23 C H6 1 23 C HO2' 3.500 . 3.500 5.095 4.778 5.427 1.927 8 8 [******-+] 1
181 1 23 C H3' 1 23 C H6 2.500 . 2.500 2.673 2.641 2.721 0.221 8 0 "[ . ]" 1
182 1 23 C H4' 1 23 C H6 4.500 . 4.500 4.030 4.009 4.044 . 0 0 "[ . ]" 1
183 1 23 C H5' 1 23 C H6 3.500 . 3.500 3.460 3.423 3.494 . 0 0 "[ . ]" 1
184 1 23 C H5'' 1 23 C H6 4.500 . 4.500 4.050 4.021 4.070 . 0 0 "[ . ]" 1
185 1 1 G H1' 1 1 G HO2' 4.500 . 4.500 2.817 2.169 3.365 . 0 0 "[ . ]" 1
186 1 1 G H1' 1 1 G H4' 5.500 . 5.500 3.435 3.384 3.479 . 0 0 "[ . ]" 1
187 1 1 G H1' 1 1 G H5' 5.500 . 5.500 4.490 4.466 4.512 . 0 0 "[ . ]" 1
188 1 1 G H1' 1 1 G H5'' 5.500 . 5.500 5.181 5.141 5.198 . 0 0 "[ . ]" 1
189 1 1 G HO2' 1 2 G H1' 4.500 . 4.500 4.982 4.354 6.069 1.569 3 3 "[ +-. * ]" 1
190 1 2 G H1' 1 2 G HO2' 4.500 . 4.500 2.769 1.970 3.293 . 0 0 "[ . ]" 1
191 1 2 G H1' 1 2 G H3' 4.500 . 4.500 3.808 3.796 3.815 . 0 0 "[ . ]" 1
192 1 2 G H1' 1 2 G H4' 5.500 . 5.500 3.424 3.411 3.447 . 0 0 "[ . ]" 1
193 1 2 G H1' 1 2 G H5' 5.500 . 5.500 4.633 4.628 4.643 . 0 0 "[ . ]" 1
194 1 2 G H1' 1 2 G H5'' 5.500 . 5.500 5.219 5.213 5.228 . 0 0 "[ . ]" 1
195 1 2 G HO2' 1 3 A H1' 4.500 . 4.500 4.777 4.214 5.958 1.458 4 3 "[ +*- ]" 1
196 1 3 A H1' 1 3 A HO2' 4.500 . 4.500 2.564 2.055 3.081 . 0 0 "[ . ]" 1
197 1 3 A H1' 1 3 A H3' 4.500 . 4.500 3.819 3.808 3.832 . 0 0 "[ . ]" 1
198 1 3 A H1' 1 3 A H4' 5.500 . 5.500 3.403 3.363 3.433 . 0 0 "[ . ]" 1
199 1 3 A H1' 1 3 A H5' 5.500 . 5.500 4.596 4.570 4.611 . 0 0 "[ . ]" 1
200 1 3 A H1' 1 3 A H5'' 5.500 . 5.500 5.205 5.186 5.217 . 0 0 "[ . ]" 1
201 1 4 C H1' 1 4 C HO2' 4.500 . 4.500 2.527 1.948 3.006 . 0 0 "[ . ]" 1
202 1 4 C H1' 1 4 C H3' 4.500 . 4.500 3.848 3.827 3.861 . 0 0 "[ . ]" 1
203 1 4 C H1' 1 4 C H4' 5.500 . 5.500 3.351 3.301 3.420 . 0 0 "[ . ]" 1
204 1 4 C H1' 1 4 C H5' 5.500 . 5.500 4.649 4.617 4.684 . 0 0 "[ . ]" 1
205 1 4 C H1' 1 4 C H5'' 5.500 . 5.500 5.211 5.186 5.245 . 0 0 "[ . ]" 1
206 1 4 C HO2' 1 5 A H1' 4.500 . 4.500 4.720 3.597 5.422 0.922 5 5 "[***-+ ]" 1
207 1 4 C H3' 1 5 A H1' 5.500 . 5.500 6.085 6.058 6.105 0.605 8 8 [****-**+] 1
208 1 5 A H1' 1 5 A HO2' 4.500 . 4.500 2.759 2.037 3.169 . 0 0 "[ . ]" 1
209 1 5 A H1' 1 5 A H3' 4.500 . 4.500 3.847 3.837 3.863 . 0 0 "[ . ]" 1
210 1 5 A H1' 1 5 A H4' 5.500 . 5.500 3.278 3.219 3.295 . 0 0 "[ . ]" 1
211 1 5 A H1' 1 5 A H5' 5.500 . 5.500 4.576 4.548 4.595 . 0 0 "[ . ]" 1
212 1 5 A H1' 1 5 A H5'' 5.500 . 5.500 5.151 5.125 5.160 . 0 0 "[ . ]" 1
213 1 6 U H1' 1 6 U HO2' 4.500 . 4.500 2.448 1.942 2.755 . 0 0 "[ . ]" 1
214 1 6 U H1' 1 6 U H3' 4.500 . 4.500 3.826 3.820 3.832 . 0 0 "[ . ]" 1
215 1 6 U H1' 1 6 U H4' 5.500 . 5.500 3.371 3.320 3.392 . 0 0 "[ . ]" 1
216 1 6 U H1' 1 6 U H5' 5.500 . 5.500 4.648 4.626 4.655 . 0 0 "[ . ]" 1
217 1 6 U H1' 1 6 U H5'' 5.500 . 5.500 5.206 5.181 5.213 . 0 0 "[ . ]" 1
218 1 7 A H1' 1 7 A HO2' 4.500 . 4.500 2.149 1.969 2.557 . 0 0 "[ . ]" 1
219 1 7 A H1' 1 7 A H3' 4.500 . 4.500 3.783 3.771 3.818 . 0 0 "[ . ]" 1
220 1 7 A H1' 1 7 A H4' 5.500 . 5.500 3.502 3.427 3.530 . 0 0 "[ . ]" 1
221 1 7 A H1' 1 7 A H5' 5.500 . 5.500 4.675 4.654 4.683 . 0 0 "[ . ]" 1
222 1 7 A H1' 1 7 A H5'' 5.500 . 5.500 5.254 5.228 5.263 . 0 0 "[ . ]" 1
223 1 7 A HO2' 1 8 A H1' 4.500 . 4.500 3.977 3.482 4.287 . 0 0 "[ . ]" 1
224 1 7 A H3' 1 8 A H1' 5.500 . 5.500 6.802 6.703 6.967 1.467 8 8 [***-***+] 1
225 1 8 A H1' 1 8 A HO2' 4.500 . 4.500 2.047 1.947 2.211 . 0 0 "[ . ]" 1
226 1 8 A H1' 1 8 A H3' 4.500 . 4.500 3.849 3.846 3.853 . 0 0 "[ . ]" 1
227 1 8 A H1' 1 8 A H4' 5.500 . 5.500 3.262 3.239 3.285 . 0 0 "[ . ]" 1
228 1 8 A H1' 1 8 A H5' 5.500 . 5.500 4.563 4.549 4.579 . 0 0 "[ . ]" 1
229 1 8 A H1' 1 8 A H5'' 5.500 . 5.500 5.152 5.138 5.166 . 0 0 "[ . ]" 1
230 1 13 A H1' 1 13 A HO2' 4.500 . 4.500 2.770 2.636 2.966 . 0 0 "[ . ]" 1
231 1 13 A H1' 1 13 A H3' 4.500 . 4.500 3.794 3.791 3.798 . 0 0 "[ . ]" 1
232 1 13 A H1' 1 13 A H4' 5.500 . 5.500 3.506 3.489 3.516 . 0 0 "[ . ]" 1
233 1 13 A H1' 1 13 A H5' 5.500 . 5.500 4.559 4.548 4.572 . 0 0 "[ . ]" 1
234 1 13 A H1' 1 13 A H5'' 5.500 . 5.500 5.215 5.202 5.223 . 0 0 "[ . ]" 1
235 1 14 A H1' 1 14 A HO2' 4.500 . 4.500 2.914 2.559 3.421 . 0 0 "[ . ]" 1
236 1 14 A H1' 1 14 A H3' 4.500 . 4.500 3.816 3.801 3.822 . 0 0 "[ . ]" 1
237 1 14 A H1' 1 14 A H4' 5.500 . 5.500 3.527 3.520 3.538 . 0 0 "[ . ]" 1
238 1 14 A H1' 1 14 A H5' 5.500 . 5.500 4.609 4.603 4.615 . 0 0 "[ . ]" 1
239 1 14 A H1' 1 14 A H5'' 5.500 . 5.500 5.236 5.233 5.242 . 0 0 "[ . ]" 1
240 1 14 A HO2' 1 15 C H1' 4.500 . 4.500 6.493 6.034 6.647 2.147 7 8 [-*****+*] 1
241 1 14 A H3' 1 15 C H1' 5.500 . 5.500 4.665 4.571 4.902 . 0 0 "[ . ]" 1
242 1 15 C H1' 1 15 C HO2' 4.500 . 4.500 2.231 2.057 2.500 . 0 0 "[ . ]" 1
243 1 15 C H1' 1 15 C H3' 4.500 . 4.500 3.830 3.816 3.844 . 0 0 "[ . ]" 1
244 1 15 C H1' 1 15 C H4' 5.500 . 5.500 3.391 3.369 3.402 . 0 0 "[ . ]" 1
245 1 15 C H1' 1 15 C H5' 5.500 . 5.500 4.668 4.642 4.684 . 0 0 "[ . ]" 1
246 1 15 C H1' 1 15 C H5'' 5.500 . 5.500 5.219 5.215 5.224 . 0 0 "[ . ]" 1
247 1 15 C HO2' 1 16 C H1' 4.500 . 4.500 5.737 4.643 6.075 1.575 2 7 "[ +-*****]" 1
248 1 15 C H3' 1 16 C H1' 5.500 . 5.500 6.139 6.076 6.176 0.676 6 8 [*****+*-] 1
249 1 16 C H1' 1 16 C HO2' 4.500 . 4.500 2.413 2.042 3.125 . 0 0 "[ . ]" 1
250 1 16 C H1' 1 16 C H3' 4.500 . 4.500 3.871 3.860 3.878 . 0 0 "[ . ]" 1
251 1 16 C H1' 1 16 C H4' 5.500 . 5.500 3.315 3.295 3.333 . 0 0 "[ . ]" 1
252 1 16 C H1' 1 16 C H5' 5.500 . 5.500 4.581 4.574 4.587 . 0 0 "[ . ]" 1
253 1 16 C H1' 1 16 C H5'' 5.500 . 5.500 5.173 5.159 5.181 . 0 0 "[ . ]" 1
254 1 16 C H3' 1 17 U H1' 5.500 . 5.500 6.688 6.642 6.730 1.230 4 8 [***+***-] 1
255 1 17 U H1' 1 17 U HO2' 4.500 . 4.500 2.695 1.954 2.986 . 0 0 "[ . ]" 1
256 1 17 U H1' 1 17 U H3' 4.500 . 4.500 3.845 3.843 3.851 . 0 0 "[ . ]" 1
257 1 17 U H1' 1 17 U H4' 5.500 . 5.500 3.128 3.107 3.133 . 0 0 "[ . ]" 1
258 1 17 U H1' 1 17 U H5' 5.500 . 5.500 4.548 4.534 4.554 . 0 0 "[ . ]" 1
259 1 17 U H1' 1 17 U H5'' 5.500 . 5.500 5.076 5.063 5.079 . 0 0 "[ . ]" 1
260 1 18 A H1' 1 18 A HO2' 4.500 . 4.500 2.685 1.991 3.033 . 0 0 "[ . ]" 1
261 1 18 A H1' 1 18 A H3' 4.500 . 4.500 3.879 3.872 3.884 . 0 0 "[ . ]" 1
262 1 18 A H1' 1 18 A H4' 5.500 . 5.500 3.228 3.197 3.253 . 0 0 "[ . ]" 1
263 1 18 A H1' 1 18 A H5' 5.500 . 5.500 4.582 4.574 4.592 . 0 0 "[ . ]" 1
264 1 18 A H1' 1 18 A H5'' 5.500 . 5.500 5.132 5.116 5.146 . 0 0 "[ . ]" 1
265 1 19 U H1' 1 19 U HO2' 4.500 . 4.500 2.935 2.805 3.040 . 0 0 "[ . ]" 1
266 1 19 U H1' 1 19 U H3' 4.500 . 4.500 3.846 3.842 3.853 . 0 0 "[ . ]" 1
267 1 19 U H1' 1 19 U H4' 5.500 . 5.500 3.327 3.307 3.339 . 0 0 "[ . ]" 1
268 1 19 U H1' 1 19 U H5' 5.500 . 5.500 4.609 4.606 4.613 . 0 0 "[ . ]" 1
269 1 19 U H1' 1 19 U H5'' 5.500 . 5.500 5.179 5.171 5.185 . 0 0 "[ . ]" 1
270 1 19 U HO2' 1 20 G H1' 4.500 . 4.500 5.301 3.715 5.607 1.107 4 7 "[* *+*-**]" 1
271 1 20 G H1' 1 20 G HO2' 4.500 . 4.500 2.558 1.991 3.234 . 0 0 "[ . ]" 1
272 1 20 G H1' 1 20 G H3' 4.500 . 4.500 3.845 3.842 3.850 . 0 0 "[ . ]" 1
273 1 20 G H1' 1 20 G H4' 5.500 . 5.500 3.341 3.326 3.354 . 0 0 "[ . ]" 1
274 1 20 G H1' 1 20 G H5' 5.500 . 5.500 4.579 4.568 4.592 . 0 0 "[ . ]" 1
275 1 20 G H1' 1 20 G H5'' 5.500 . 5.500 5.178 5.171 5.184 . 0 0 "[ . ]" 1
276 1 20 G HO2' 1 21 U H1' 4.500 . 4.500 5.575 4.452 6.265 1.765 5 6 "[*-**+ * ]" 1
277 1 21 U H1' 1 21 U HO2' 4.500 . 4.500 2.415 2.192 2.815 . 0 0 "[ . ]" 1
278 1 21 U H1' 1 21 U H3' 4.500 . 4.500 3.846 3.842 3.851 . 0 0 "[ . ]" 1
279 1 21 U H1' 1 21 U H4' 5.500 . 5.500 3.237 3.211 3.255 . 0 0 "[ . ]" 1
280 1 21 U H1' 1 21 U H5' 5.500 . 5.500 4.578 4.559 4.589 . 0 0 "[ . ]" 1
281 1 21 U H1' 1 21 U H5'' 5.500 . 5.500 5.138 5.123 5.150 . 0 0 "[ . ]" 1
282 1 21 U HO2' 1 22 C H1' 4.500 . 4.500 5.401 4.227 5.653 1.153 5 7 "[****+ *-]" 1
283 1 21 U H3' 1 22 C H1' 5.500 . 5.500 6.000 5.989 6.007 0.507 4 5 "[- *+.* *]" 1
284 1 22 C H1' 1 22 C HO2' 4.500 . 4.500 2.442 2.038 3.084 . 0 0 "[ . ]" 1
285 1 22 C H1' 1 22 C H3' 4.500 . 4.500 3.842 3.838 3.849 . 0 0 "[ . ]" 1
286 1 22 C H1' 1 22 C H4' 5.500 . 5.500 3.354 3.338 3.364 . 0 0 "[ . ]" 1
287 1 22 C H1' 1 22 C H5' 5.500 . 5.500 4.596 4.585 4.602 . 0 0 "[ . ]" 1
288 1 22 C H1' 1 22 C H5'' 5.500 . 5.500 5.196 5.189 5.200 . 0 0 "[ . ]" 1
289 1 22 C HO2' 1 23 C H1' 4.500 . 4.500 5.393 4.400 6.070 1.570 2 5 "[ + *.*-*]" 1
290 1 22 C H3' 1 23 C H1' 5.500 . 5.500 6.314 6.291 6.367 0.867 8 8 [******-+] 1
291 1 23 C H1' 1 23 C HO2' 4.500 . 4.500 2.700 2.043 3.436 . 0 0 "[ . ]" 1
292 1 23 C H1' 1 23 C H3' 4.500 . 4.500 3.840 3.837 3.846 . 0 0 "[ . ]" 1
293 1 23 C H1' 1 23 C H4' 5.500 . 5.500 3.324 3.316 3.332 . 0 0 "[ . ]" 1
294 1 23 C H1' 1 23 C H5' 5.500 . 5.500 4.586 4.580 4.593 . 0 0 "[ . ]" 1
295 1 23 C H1' 1 23 C H5'' 5.500 . 5.500 5.179 5.176 5.183 . 0 0 "[ . ]" 1
296 1 5 A H2 1 6 U H6 5.500 . 5.500 4.925 4.894 4.951 . 0 0 "[ . ]" 1
297 1 5 A H2 1 19 U H6 6.500 . 6.500 6.495 6.472 6.523 0.023 8 0 "[ . ]" 1
298 1 5 A H2 1 20 G H8 5.500 . 5.500 5.112 5.040 5.156 . 0 0 "[ . ]" 1
299 1 5 A H2 1 20 G H1' 4.500 . 4.500 4.457 4.323 4.532 0.032 8 0 "[ . ]" 1
300 1 12 A H2 1 13 A H2 5.500 . 5.500 3.497 3.358 3.642 . 0 0 "[ . ]" 1
301 1 13 A H2 1 14 A H2 5.500 . 5.500 3.939 3.920 3.955 . 0 0 "[ . ]" 1
302 1 13 A H1' 1 14 A H2 6.500 . 6.500 6.731 6.683 6.762 0.262 4 0 "[ . ]" 1
303 1 14 A H1' 1 14 A H2 5.500 . 5.500 4.499 4.494 4.506 . 0 0 "[ . ]" 1
304 1 5 A H2 1 18 A H2 6.500 . 6.500 5.628 5.588 5.656 . 0 0 "[ . ]" 1
305 1 6 U H1' 1 18 A H2 5.500 . 5.500 5.005 4.962 5.042 . 0 0 "[ . ]" 1
306 1 7 A H8 1 18 A H2 5.500 . 5.500 5.625 5.606 5.647 0.147 8 0 "[ . ]" 1
307 1 7 A H1' 1 18 A H2 5.500 . 5.500 4.274 4.213 4.549 . 0 0 "[ . ]" 1
308 1 18 A H2 1 19 U H1' 5.500 . 5.500 4.014 3.957 4.051 . 0 0 "[ . ]" 1
309 1 18 A H2 1 19 U H6 5.500 . 5.500 4.976 4.868 5.021 . 0 0 "[ . ]" 1
310 1 4 C H5 1 5 A H8 6.500 . 6.500 4.836 4.794 4.877 . 0 0 "[ . ]" 1
311 1 5 A H8 1 6 U H5 4.500 . 4.500 4.670 4.637 4.699 0.199 4 0 "[ . ]" 1
312 1 5 A H1' 1 6 U H5 5.500 . 5.500 5.510 5.490 5.523 0.023 8 0 "[ . ]" 1
313 1 6 U H1' 1 6 U H5 5.500 . 5.500 5.300 5.278 5.307 . 0 0 "[ . ]" 1
314 1 15 C H3' 1 15 C H5 5.500 . 5.500 4.337 4.309 4.370 . 0 0 "[ . ]" 1
315 1 17 U H5 1 18 A H8 6.500 . 6.500 5.036 5.026 5.054 . 0 0 "[ . ]" 1
316 1 18 A H8 1 19 U H5 6.500 . 6.500 5.081 5.036 5.167 . 0 0 "[ . ]" 1
317 1 20 G H1' 1 21 U H5 5.500 . 5.500 5.204 5.090 5.297 . 0 0 "[ . ]" 1
318 1 21 U H5 1 22 C H6 5.500 . 5.500 5.804 5.782 5.840 0.340 8 0 "[ . ]" 1
319 1 21 U H6 1 22 C H5 5.500 . 5.500 4.502 4.478 4.526 . 0 0 "[ . ]" 1
320 1 21 U H3' 1 22 C H5 5.500 . 5.500 3.582 3.531 3.639 . 0 0 "[ . ]" 1
321 1 22 C H5 1 23 C H6 5.500 . 5.500 5.535 5.522 5.549 0.049 5 0 "[ . ]" 1
322 1 22 C H6 1 23 C H5 5.500 . 5.500 4.126 4.023 4.246 . 0 0 "[ . ]" 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 74
_Distance_constraint_stats_list.Viol_total 124.511
_Distance_constraint_stats_list.Viol_max 0.720
_Distance_constraint_stats_list.Viol_rms 0.1340
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0423
_Distance_constraint_stats_list.Viol_average_violations_only 0.2103
_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 0.286 0.090 4 0 "[ . ]"
1 2 G 0.234 0.034 2 0 "[ . ]"
1 3 A 0.000 0.000 . 0 "[ . ]"
1 4 C 0.000 0.000 . 0 "[ . ]"
1 5 A 0.000 0.000 . 0 "[ . ]"
1 6 U 0.171 0.053 4 0 "[ . ]"
1 7 A 13.907 0.720 4 8 [***+*-**]
1 9 G 0.000 0.000 . 0 "[ . ]"
1 10 G 0.965 0.130 6 0 "[ . ]"
1 15 C 0.965 0.130 6 0 "[ . ]"
1 16 C 0.000 0.000 . 0 "[ . ]"
1 17 U 13.907 0.720 4 8 [***+*-**]
1 18 A 0.171 0.053 4 0 "[ . ]"
1 19 U 0.000 0.000 . 0 "[ . ]"
1 20 G 0.000 0.000 . 0 "[ . ]"
1 21 U 0.000 0.000 . 0 "[ . ]"
1 22 C 0.234 0.034 2 0 "[ . ]"
1 23 C 0.286 0.090 4 0 "[ . ]"
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 O6 1 23 C H41 2.000 . 2.500 2.530 2.453 2.590 0.090 4 0 "[ . ]" 2
2 1 1 G O6 1 23 C N4 3.000 2.500 3.500 3.414 3.299 3.467 . 0 0 "[ . ]" 2
3 1 1 G H1 1 23 C N3 2.000 . 2.500 2.144 2.105 2.244 . 0 0 "[ . ]" 2
4 1 1 G N1 1 23 C N3 3.000 2.500 3.500 3.073 3.053 3.114 . 0 0 "[ . ]" 2
5 1 1 G H21 1 23 C O2 2.000 . 2.500 1.760 1.709 1.990 . 0 0 "[ . ]" 2
6 1 1 G N2 1 23 C O2 3.000 2.500 3.500 2.674 2.638 2.867 . 0 0 "[ . ]" 2
7 1 2 G O6 1 22 C H41 2.000 . 2.500 2.522 2.507 2.534 0.034 2 0 "[ . ]" 2
8 1 2 G O6 1 22 C N4 3.000 2.500 3.500 3.506 3.494 3.525 0.025 2 0 "[ . ]" 2
9 1 2 G H1 1 22 C N3 2.000 . 2.500 2.277 2.211 2.351 . 0 0 "[ . ]" 2
10 1 2 G N1 1 22 C N3 3.000 2.500 3.500 3.255 3.194 3.329 . 0 0 "[ . ]" 2
11 1 2 G H21 1 22 C O2 2.000 . 2.500 1.921 1.810 2.043 . 0 0 "[ . ]" 2
12 1 2 G N2 1 22 C O2 3.000 2.500 3.500 2.904 2.792 3.030 . 0 0 "[ . ]" 2
13 1 3 A H61 1 21 U O4 2.000 . 2.500 1.896 1.835 1.972 . 0 0 "[ . ]" 2
14 1 3 A N6 1 21 U O4 3.000 2.500 3.500 2.794 2.755 2.848 . 0 0 "[ . ]" 2
15 1 3 A N1 1 21 U H3 2.000 . 2.500 2.023 1.937 2.111 . 0 0 "[ . ]" 2
16 1 3 A N1 1 21 U N3 3.000 2.500 3.500 2.887 2.818 2.954 . 0 0 "[ . ]" 2
17 1 4 C H41 1 20 G O6 2.000 . 2.500 2.320 2.157 2.478 . 0 0 "[ . ]" 2
18 1 4 C N4 1 20 G O6 3.000 2.500 3.500 3.284 3.135 3.427 . 0 0 "[ . ]" 2
19 1 4 C N3 1 20 G H1 2.000 . 2.500 2.084 1.998 2.162 . 0 0 "[ . ]" 2
20 1 4 C N3 1 20 G N1 3.000 2.500 3.500 3.060 2.961 3.142 . 0 0 "[ . ]" 2
21 1 4 C O2 1 20 G H21 2.000 . 2.500 1.786 1.739 1.844 . 0 0 "[ . ]" 2
22 1 4 C O2 1 20 G N2 3.000 2.500 3.500 2.738 2.676 2.797 . 0 0 "[ . ]" 2
23 1 5 A H61 1 19 U O4 2.000 . 2.500 2.319 2.195 2.414 . 0 0 "[ . ]" 2
24 1 5 A N6 1 19 U O4 3.000 2.500 3.500 3.230 3.118 3.314 . 0 0 "[ . ]" 2
25 1 5 A N1 1 19 U H3 2.000 . 2.500 1.905 1.821 1.941 . 0 0 "[ . ]" 2
26 1 5 A N1 1 19 U N3 3.000 2.500 3.500 2.869 2.802 2.902 . 0 0 "[ . ]" 2
27 1 6 U O4 1 18 A H61 2.000 . 2.500 2.513 2.433 2.553 0.053 4 0 "[ . ]" 2
28 1 6 U O4 1 18 A N6 3.000 2.500 3.500 3.391 3.308 3.428 . 0 0 "[ . ]" 2
29 1 6 U H3 1 18 A N1 2.000 . 2.500 1.973 1.859 2.001 . 0 0 "[ . ]" 2
30 1 6 U N3 1 18 A N1 3.000 2.500 3.500 2.966 2.867 2.993 . 0 0 "[ . ]" 2
31 1 7 A Q6 1 17 U O4 2.000 . 2.500 3.156 3.093 3.220 0.720 4 8 [***+*-**] 2
32 1 7 A N6 1 17 U O4 3.000 2.500 3.500 3.825 3.777 3.882 0.382 4 0 "[ . ]" 2
33 1 7 A N1 1 17 U H3 2.000 . 2.500 3.051 2.955 3.098 0.598 4 7 "[***+*-* ]" 2
34 1 7 A N1 1 17 U N3 3.000 2.500 3.500 3.706 3.623 3.745 0.245 4 0 "[ . ]" 2
35 1 9 G O6 1 16 C H41 2.000 . 2.500 2.278 2.124 2.396 . 0 0 "[ . ]" 2
36 1 9 G O6 1 16 C N4 3.000 2.500 3.500 3.237 3.091 3.330 . 0 0 "[ . ]" 2
37 1 9 G H1 1 16 C N3 2.000 . 2.500 2.247 2.155 2.414 . 0 0 "[ . ]" 2
38 1 9 G N1 1 16 C N3 3.000 2.500 3.500 3.212 3.125 3.354 . 0 0 "[ . ]" 2
39 1 9 G H21 1 16 C O2 2.000 . 2.500 2.105 1.993 2.342 . 0 0 "[ . ]" 2
40 1 9 G N2 1 16 C O2 3.000 2.500 3.500 3.100 2.988 3.320 . 0 0 "[ . ]" 2
41 1 10 G O6 1 15 C H41 2.000 . 2.500 2.141 2.128 2.149 . 0 0 "[ . ]" 2
42 1 10 G O6 1 15 C N4 3.000 2.500 3.500 3.068 3.029 3.087 . 0 0 "[ . ]" 2
43 1 10 G H1 1 15 C N3 2.000 . 2.500 2.374 2.362 2.383 . 0 0 "[ . ]" 2
44 1 10 G N1 1 15 C N3 3.000 2.500 3.500 3.323 3.307 3.334 . 0 0 "[ . ]" 2
45 1 10 G H21 1 15 C O2 2.000 . 2.500 2.612 2.597 2.630 0.130 6 0 "[ . ]" 2
46 1 10 G N2 1 15 C O2 3.000 2.500 3.500 3.504 3.464 3.519 0.019 4 0 "[ . ]" 2
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