NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
609670 |
5kmz   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5kmz
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 413
_Distance_constraint_stats_list.Viol_count 1115
_Distance_constraint_stats_list.Viol_total 3039.641
_Distance_constraint_stats_list.Viol_max 1.881
_Distance_constraint_stats_list.Viol_rms 0.2161
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0736
_Distance_constraint_stats_list.Viol_average_violations_only 0.2726
_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 A 14.969 0.846 6 10 [*****+****]
1 2 A 25.333 1.003 9 10 [*****-**+*]
1 3 C 17.976 1.003 9 10 [********+*]
1 4 C 14.138 0.674 1 10 [+*******-*]
1 5 U 0.181 0.042 5 0 "[ . 1]"
1 6 U 30.589 1.481 4 10 [*-*+******]
1 7 C 26.208 1.187 7 10 [******+***]
1 8 A 40.236 1.187 7 10 [******+**-]
1 9 C 32.143 1.020 3 10 [**+******-]
1 10 C 21.826 0.817 3 10 [**+******-]
1 11 A 45.487 1.111 1 10 [+-********]
1 12 A 48.867 1.111 1 10 [+***-*****]
1 13 U 16.461 0.846 10 10 [*****-***+]
1 14 U 8.667 0.468 1 0 "[ . 1]"
1 15 A 29.987 1.881 6 10 [**-**+****]
1 16 G 5.469 0.369 5 0 "[ . 1]"
1 17 G 10.850 0.888 5 10 [****+*-***]
1 18 U 9.245 0.888 5 10 [****+*-***]
1 19 U 1.129 0.132 9 0 "[ . 1]"
1 20 C 0.501 0.069 8 0 "[ . 1]"
1 21 A 13.065 1.127 10 10 [***-*****+]
1 22 A 21.866 1.127 10 10 [*********+]
1 23 A 8.324 0.778 8 10 [*******+*-]
1 24 U 32.999 1.481 4 10 [***+****-*]
1 25 A 34.263 0.935 1 10 [+-********]
1 26 A 32.537 1.881 6 10 [*****+****]
1 27 G 1.093 0.127 10 0 "[ . 1]"
1 28 U 10.573 0.515 8 2 "[ . +-1]"
1 29 G 13.191 0.933 9 10 [********+*]
1 30 G 17.835 0.819 4 9 "[ **+-*****]"
1 31 U 8.900 0.819 4 9 "[ **+-*****]"
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 5 U H3 1 6 U H3 4.500 3.500 5.500 5.516 5.483 5.542 0.042 5 0 "[ . 1]" 1
2 1 15 A H2 1 16 G H8 4.500 3.500 5.500 5.037 4.923 5.192 . 0 0 "[ . 1]" 1
3 1 3 C H6 1 4 C H6 4.000 3.000 5.000 4.589 4.501 4.696 . 0 0 "[ . 1]" 1
4 1 3 C H5 1 4 C H5 4.000 3.000 5.000 3.860 3.761 3.986 . 0 0 "[ . 1]" 1
5 1 18 U H6 1 19 U H6 4.000 3.000 5.000 5.112 5.089 5.132 0.132 9 0 "[ . 1]" 1
6 1 4 C H6 1 24 U H6 4.000 3.000 5.000 5.572 5.515 5.674 0.674 1 10 [+*******-*] 1
7 1 28 U H6 1 29 G H8 4.000 3.000 5.000 4.711 4.624 4.801 . 0 0 "[ . 1]" 1
8 1 29 G H8 1 30 G H8 4.000 3.000 5.000 4.528 4.418 4.657 . 0 0 "[ . 1]" 1
9 1 30 G H8 1 31 U H6 4.000 3.000 5.000 4.931 4.765 5.011 0.011 1 0 "[ . 1]" 1
10 1 30 G H8 1 31 U H5 4.000 3.000 5.000 3.794 3.557 3.938 . 0 0 "[ . 1]" 1
11 1 7 C H6 1 8 A H8 4.000 3.000 5.000 5.451 5.331 5.564 0.564 8 4 "[ . -+**]" 1
12 1 10 C H6 1 11 A H8 4.000 3.000 5.000 4.738 4.671 4.831 . 0 0 "[ . 1]" 1
13 1 9 C H6 1 10 C H6 4.000 3.000 5.000 4.601 4.530 4.661 . 0 0 "[ . 1]" 1
14 1 9 C H6 1 10 C H5 4.000 3.000 5.000 3.560 3.517 3.632 . 0 0 "[ . 1]" 1
15 1 27 G H8 1 28 U H6 4.000 3.000 5.000 4.520 4.457 4.621 . 0 0 "[ . 1]" 1
16 1 6 U H5 1 7 C H5 4.000 3.000 5.000 4.312 4.186 4.553 . 0 0 "[ . 1]" 1
17 1 6 U H6 1 7 C H5 4.000 3.000 5.000 4.290 4.161 4.452 . 0 0 "[ . 1]" 1
18 1 5 U H6 1 6 U H6 4.000 3.000 5.000 4.705 4.404 4.890 . 0 0 "[ . 1]" 1
19 1 5 U H5 1 6 U H5 4.000 3.000 5.000 4.536 4.304 4.926 . 0 0 "[ . 1]" 1
20 1 1 A H8 1 2 A H8 4.000 3.000 5.000 5.018 4.970 5.034 0.034 6 0 "[ . 1]" 1
21 1 2 A H8 1 3 C H6 4.000 3.000 5.000 5.008 4.987 5.027 0.027 8 0 "[ . 1]" 1
22 1 8 A H8 1 9 C H5 4.000 3.000 5.000 3.997 3.916 4.093 . 0 0 "[ . 1]" 1
23 1 8 A H8 1 9 C H6 4.000 3.000 5.000 5.031 4.994 5.061 0.061 8 0 "[ . 1]" 1
24 1 11 A H8 1 12 A H8 4.000 3.000 5.000 5.081 5.066 5.117 0.117 8 0 "[ . 1]" 1
25 1 12 A H8 1 13 U H5 4.000 3.000 5.000 3.595 3.558 3.667 . 0 0 "[ . 1]" 1
26 1 12 A H8 1 13 U H6 4.000 3.000 5.000 4.598 4.512 4.694 . 0 0 "[ . 1]" 1
27 1 13 U H6 1 14 U H6 4.000 3.000 5.000 5.068 5.053 5.095 0.095 8 0 "[ . 1]" 1
28 1 14 U H5 1 15 A H8 4.000 3.000 5.000 5.025 5.013 5.040 0.040 4 0 "[ . 1]" 1
29 1 14 U H6 1 15 A H8 4.000 3.000 5.000 4.415 4.334 4.483 . 0 0 "[ . 1]" 1
30 1 15 A H8 1 16 G H8 4.000 3.000 5.000 4.639 4.506 4.808 . 0 0 "[ . 1]" 1
31 1 16 G H8 1 17 G H8 4.000 3.000 5.000 4.686 4.569 4.952 . 0 0 "[ . 1]" 1
32 1 17 G H8 1 18 U H6 4.000 3.000 5.000 4.959 4.826 5.039 0.039 9 0 "[ . 1]" 1
33 1 17 G H8 1 18 U H5 4.000 3.000 5.000 4.214 3.969 4.317 . 0 0 "[ . 1]" 1
34 1 18 U H5 1 19 U H5 4.000 3.000 5.000 4.653 4.584 4.728 . 0 0 "[ . 1]" 1
35 1 25 A H8 1 26 A H8 4.000 3.000 5.000 4.628 4.574 4.730 . 0 0 "[ . 1]" 1
36 1 4 C H5 1 24 U H5 4.000 3.000 5.000 4.427 4.365 4.522 . 0 0 "[ . 1]" 1
37 1 4 C H6 1 24 U H5 4.000 3.000 5.000 3.813 3.765 3.904 . 0 0 "[ . 1]" 1
38 1 24 U H6 1 25 A H8 4.000 3.000 5.000 4.710 4.620 4.810 . 0 0 "[ . 1]" 1
39 1 1 A H2' 1 2 A H8 2.500 . 3.500 2.173 2.136 2.206 . 0 0 "[ . 1]" 1
40 1 2 A H2' 1 3 C H6 2.500 . 3.500 1.947 1.909 1.994 . 0 0 "[ . 1]" 1
41 1 3 C H2' 1 4 C H6 2.500 . 3.500 2.185 2.125 2.238 . 0 0 "[ . 1]" 1
42 1 4 C H2' 1 24 U H6 2.500 . 3.500 2.398 2.351 2.502 . 0 0 "[ . 1]" 1
43 1 6 U H2' 1 7 C H6 2.500 . 3.500 1.985 1.946 2.065 . 0 0 "[ . 1]" 1
44 1 8 A H2' 1 9 C H6 2.500 . 3.500 2.234 2.148 2.296 . 0 0 "[ . 1]" 1
45 1 9 C H2' 1 10 C H6 2.500 . 3.500 1.928 1.916 1.939 . 0 0 "[ . 1]" 1
46 1 10 C H2' 1 11 A H8 2.500 . 3.500 1.931 1.922 1.946 . 0 0 "[ . 1]" 1
47 1 11 A H2' 1 12 A H8 2.500 . 3.500 2.599 2.499 2.710 . 0 0 "[ . 1]" 1
48 1 12 A H2' 1 13 U H6 2.500 . 3.500 1.883 1.861 1.926 . 0 0 "[ . 1]" 1
49 1 13 U H2' 1 14 U H6 2.500 . 3.500 1.869 1.858 1.879 . 0 0 "[ . 1]" 1
50 1 14 U H2' 1 15 A H8 2.500 . 3.500 1.997 1.939 2.118 . 0 0 "[ . 1]" 1
51 1 15 A H2' 1 16 G H8 2.500 . 3.500 1.949 1.919 1.994 . 0 0 "[ . 1]" 1
52 1 16 G H2' 1 17 G H8 2.500 . 3.500 2.053 1.988 2.090 . 0 0 "[ . 1]" 1
53 1 17 G H2' 1 18 U H6 2.500 . 3.500 2.556 2.291 2.730 . 0 0 "[ . 1]" 1
54 1 18 U H2' 1 19 U H6 2.500 . 3.500 2.607 2.462 2.710 . 0 0 "[ . 1]" 1
55 1 24 U H2' 1 25 A H8 2.500 . 3.500 2.053 1.928 2.135 . 0 0 "[ . 1]" 1
56 1 25 A H2' 1 26 A H8 2.500 . 3.500 1.884 1.839 1.909 . 0 0 "[ . 1]" 1
57 1 26 A H2' 1 27 G H8 5.500 4.500 6.500 6.609 6.598 6.627 0.127 10 0 "[ . 1]" 1
58 1 27 G H2' 1 28 U H6 2.500 . 3.500 1.978 1.938 2.089 . 0 0 "[ . 1]" 1
59 1 28 U H2' 1 29 G H8 2.500 . 3.500 2.158 2.061 2.234 . 0 0 "[ . 1]" 1
60 1 29 G H2' 1 30 G H8 2.500 . 3.500 1.947 1.922 1.970 . 0 0 "[ . 1]" 1
61 1 30 G H2' 1 31 U H6 2.500 . 3.500 2.017 1.951 2.093 . 0 0 "[ . 1]" 1
62 1 2 A H2 1 18 U H3 2.500 . 3.500 2.145 2.013 2.208 . 0 0 "[ . 1]" 1
63 1 3 C H41 1 17 G H1 2.500 . 3.500 2.101 1.964 2.370 . 0 0 "[ . 1]" 1
64 1 4 C H41 1 16 G H1 2.500 . 3.500 3.043 3.009 3.083 . 0 0 "[ . 1]" 1
65 1 9 C H41 1 30 G H1 2.500 . 3.500 1.918 1.796 2.162 0.004 10 0 "[ . 1]" 1
66 1 10 C H41 1 29 G H1 2.500 . 3.500 3.036 2.992 3.085 . 0 0 "[ . 1]" 1
67 1 11 A H2 1 28 U H3 2.500 . 3.500 3.514 3.496 3.524 0.024 9 0 "[ . 1]" 1
68 1 11 A H61 1 28 U H3 2.500 . 3.500 1.789 1.774 1.800 0.026 4 0 "[ . 1]" 1
69 1 15 A H2 1 24 U H3 2.500 . 3.500 3.126 2.975 3.394 . 0 0 "[ . 1]" 1
70 1 14 U H3 1 25 A H2 2.500 . 3.500 2.160 2.126 2.186 . 0 0 "[ . 1]" 1
71 1 14 U H3 1 25 A H61 2.500 . 3.500 3.166 3.145 3.204 . 0 0 "[ . 1]" 1
72 1 13 U H3 1 26 A H2 2.500 . 3.500 3.104 3.025 3.172 . 0 0 "[ . 1]" 1
73 1 13 U H3 1 26 A H61 2.500 . 3.500 2.179 2.099 2.246 . 0 0 "[ . 1]" 1
74 1 6 U H3 1 26 A H8 2.500 . 3.500 3.579 3.571 3.594 0.094 1 0 "[ . 1]" 1
75 1 7 C H2' 1 8 A H8 3.500 . 4.500 4.517 4.489 4.549 0.049 8 0 "[ . 1]" 1
76 1 7 C H3' 1 8 A H8 3.500 2.500 4.500 2.773 2.661 2.933 . 0 0 "[ . 1]" 1
77 1 5 U H1' 1 6 U H6 3.500 2.500 4.500 3.703 3.578 3.937 . 0 0 "[ . 1]" 1
78 1 5 U H2' 1 6 U H6 2.500 . 3.500 2.099 1.929 2.574 . 0 0 "[ . 1]" 1
79 1 20 C H1' 1 20 C H5 4.500 3.500 5.500 5.122 5.038 5.306 . 0 0 "[ . 1]" 1
80 1 18 U H1' 1 20 C H5 3.500 2.500 4.500 3.051 2.884 3.277 . 0 0 "[ . 1]" 1
81 1 1 A H2 1 20 C H5 5.500 4.500 6.500 6.427 6.299 6.527 0.027 9 0 "[ . 1]" 1
82 1 18 U H1' 1 20 C H6 3.500 2.500 4.500 4.470 4.317 4.569 0.069 8 0 "[ . 1]" 1
83 1 20 C H1' 1 20 C H6 3.500 2.500 4.500 3.244 3.112 3.534 . 0 0 "[ . 1]" 1
84 1 2 A H2 1 20 C H5 5.500 4.500 6.500 4.489 4.466 4.559 0.034 6 0 "[ . 1]" 1
85 1 20 C H1' 1 21 A H8 4.500 3.500 5.500 5.015 4.414 5.504 0.004 7 0 "[ . 1]" 1
86 1 2 A H2 1 21 A H2 6.500 5.500 7.500 5.493 5.469 5.540 0.031 9 0 "[ . 1]" 1
87 1 21 A H2 1 22 A H2 4.500 3.500 5.500 5.543 5.508 5.560 0.060 3 0 "[ . 1]" 1
88 1 21 A H1' 1 21 A H8 3.500 2.500 4.500 3.830 3.816 3.850 . 0 0 "[ . 1]" 1
89 1 22 A H1' 1 23 A H8 4.500 3.500 5.500 4.465 3.961 4.747 . 0 0 "[ . 1]" 1
90 1 21 A H1' 1 22 A H8 4.500 3.500 5.500 4.578 4.441 4.771 . 0 0 "[ . 1]" 1
91 1 21 A H8 1 22 A H8 4.500 3.500 5.500 5.644 5.624 5.655 0.155 7 0 "[ . 1]" 1
92 1 22 A H8 1 23 A H8 4.500 3.500 5.500 5.463 5.310 5.545 0.045 7 0 "[ . 1]" 1
93 1 22 A H2 1 23 A H2 4.500 3.500 5.500 4.429 4.286 4.606 . 0 0 "[ . 1]" 1
94 1 3 C H1' 1 22 A H8 6.500 5.500 7.500 5.719 5.692 5.792 . 0 0 "[ . 1]" 1
95 1 3 C H2' 1 22 A H8 6.500 5.500 7.500 5.878 5.813 5.944 . 0 0 "[ . 1]" 1
96 1 3 C H3' 1 22 A H8 5.500 4.500 6.500 6.600 6.576 6.624 0.124 6 0 "[ . 1]" 1
97 1 17 G H21 1 22 A H2 5.500 4.500 6.500 6.314 6.067 6.398 . 0 0 "[ . 1]" 1
98 1 17 G H22 1 22 A H2 4.500 3.500 5.500 4.901 4.695 5.042 . 0 0 "[ . 1]" 1
99 1 3 C H1' 1 22 A H2 6.500 6.000 7.500 7.523 7.500 7.545 0.045 1 0 "[ . 1]" 1
100 1 16 G H21 1 23 A H2 5.500 4.500 6.500 5.786 5.706 5.869 . 0 0 "[ . 1]" 1
101 1 16 G H22 1 23 A H2 4.500 3.500 5.500 4.829 4.728 4.947 . 0 0 "[ . 1]" 1
102 1 4 C H1' 1 23 A H8 6.500 5.500 7.500 5.437 5.377 5.468 0.123 10 0 "[ . 1]" 1
103 1 4 C H2' 1 23 A H8 6.500 5.500 7.500 6.154 6.082 6.258 . 0 0 "[ . 1]" 1
104 1 4 C H3' 1 23 A H8 5.500 4.500 6.500 5.422 5.269 5.629 . 0 0 "[ . 1]" 1
105 1 4 C H1' 1 23 A H2 6.500 6.000 7.500 6.853 6.770 6.914 . 0 0 "[ . 1]" 1
106 1 21 A H2 1 22 A Q6 5.500 3.500 7.500 2.393 2.373 2.428 1.127 10 10 [***-*****+] 1
107 1 22 A Q6 1 23 A H2 4.500 3.500 5.500 6.264 6.226 6.278 0.778 8 10 [*******+*-] 1
108 1 1 A H1' 1 2 A H8 3.500 2.500 4.500 4.957 4.873 5.008 0.508 3 2 "[ + .- 1]" 1
109 1 1 A H2' 1 1 A H8 3.500 2.500 4.500 3.913 3.816 3.991 . 0 0 "[ . 1]" 1
110 1 1 A H3' 1 2 A H8 3.500 2.500 4.500 3.169 3.032 3.297 . 0 0 "[ . 1]" 1
111 1 2 A H1' 1 2 A H2 3.500 2.500 4.500 4.576 4.566 4.589 0.089 4 0 "[ . 1]" 1
112 1 2 A H2' 1 2 A H8 3.500 2.500 4.500 3.862 3.775 3.940 . 0 0 "[ . 1]" 1
113 1 2 A H3' 1 2 A H8 3.500 2.500 4.500 3.080 2.955 3.181 . 0 0 "[ . 1]" 1
114 1 3 C H1' 1 4 C H6 3.500 2.500 4.500 4.958 4.891 5.022 0.522 6 2 "[ .+ -1]" 1
115 1 3 C H3' 1 4 C H6 3.500 2.500 4.500 3.342 3.229 3.427 . 0 0 "[ . 1]" 1
116 1 4 C H1' 1 4 C H6 3.500 2.500 4.500 3.611 3.599 3.619 . 0 0 "[ . 1]" 1
117 1 4 C H2' 1 4 C H6 3.500 2.500 4.500 3.322 3.296 3.346 . 0 0 "[ . 1]" 1
118 1 4 C H3' 1 4 C H6 3.500 2.500 4.500 3.814 3.735 3.953 . 0 0 "[ . 1]" 1
119 1 4 C H3' 1 24 U H6 3.500 2.500 4.500 4.119 4.029 4.247 . 0 0 "[ . 1]" 1
120 1 5 U H1' 1 5 U H6 3.500 2.500 4.500 3.694 3.670 3.706 . 0 0 "[ . 1]" 1
121 1 6 U H2' 1 6 U H6 3.500 2.500 4.500 3.509 3.476 3.557 . 0 0 "[ . 1]" 1
122 1 6 U H3' 1 6 U H6 3.500 2.500 4.500 3.784 3.670 3.936 . 0 0 "[ . 1]" 1
123 1 6 U H4' 1 6 U H6 3.500 2.500 4.500 4.461 4.424 4.528 0.028 6 0 "[ . 1]" 1
124 1 7 C H1' 1 7 C H6 3.500 2.500 4.500 3.430 3.416 3.442 . 0 0 "[ . 1]" 1
125 1 7 C H2' 1 7 C H6 3.500 2.500 4.500 4.147 4.109 4.167 . 0 0 "[ . 1]" 1
126 1 7 C H3' 1 7 C H6 3.500 2.500 4.500 3.379 3.316 3.453 . 0 0 "[ . 1]" 1
127 1 8 A H1' 1 8 A H2 3.500 2.500 4.500 4.594 4.565 4.625 0.125 7 0 "[ . 1]" 1
128 1 8 A H1' 1 8 A H8 3.500 2.500 4.500 3.806 3.788 3.819 . 0 0 "[ . 1]" 1
129 1 8 A H2' 1 8 A H8 3.500 2.500 4.500 3.733 3.681 3.767 . 0 0 "[ . 1]" 1
130 1 8 A H3' 1 8 A H8 3.500 2.500 4.500 2.564 2.495 2.657 0.005 9 0 "[ . 1]" 1
131 1 8 A H4' 1 8 A H8 3.500 2.500 4.500 4.250 4.186 4.334 . 0 0 "[ . 1]" 1
132 1 9 C H1' 1 9 C H6 3.500 2.500 4.500 3.616 3.609 3.629 . 0 0 "[ . 1]" 1
133 1 9 C H1' 1 10 C H6 3.500 2.500 4.500 4.590 4.577 4.608 0.108 4 0 "[ . 1]" 1
134 1 9 C H2' 1 9 C H6 3.500 2.500 4.500 3.772 3.724 3.795 . 0 0 "[ . 1]" 1
135 1 9 C H3' 1 10 C H6 3.500 2.500 4.500 3.068 2.986 3.125 . 0 0 "[ . 1]" 1
136 1 10 C H1' 1 10 C H6 3.500 2.500 4.500 3.576 3.567 3.585 . 0 0 "[ . 1]" 1
137 1 10 C H1' 1 11 A H8 3.500 2.500 4.500 4.628 4.601 4.649 0.149 8 0 "[ . 1]" 1
138 1 10 C H3' 1 10 C H6 3.500 2.500 4.500 2.500 2.479 2.551 0.021 1 0 "[ . 1]" 1
139 1 10 C H3' 1 11 A H8 3.500 2.500 4.500 2.954 2.851 3.032 . 0 0 "[ . 1]" 1
140 1 10 C H4' 1 10 C H6 3.500 2.500 4.500 3.957 3.940 3.986 . 0 0 "[ . 1]" 1
141 1 10 C H4' 1 11 A H8 4.500 3.500 5.500 5.131 5.016 5.232 . 0 0 "[ . 1]" 1
142 1 11 A H1' 1 11 A H2 3.500 2.500 4.500 4.826 4.789 4.853 0.353 9 0 "[ . 1]" 1
143 1 11 A H3' 1 11 A H8 3.500 2.500 4.500 3.248 3.224 3.302 . 0 0 "[ . 1]" 1
144 1 11 A H4' 1 11 A H8 3.500 2.500 4.500 4.316 4.298 4.343 . 0 0 "[ . 1]" 1
145 1 12 A H2' 1 12 A H8 3.500 2.500 4.500 3.994 3.959 4.022 . 0 0 "[ . 1]" 1
146 1 13 U H1' 1 13 U H6 3.500 2.500 4.500 3.573 3.559 3.589 . 0 0 "[ . 1]" 1
147 1 13 U H1' 1 14 U H6 3.500 2.500 4.500 4.529 4.509 4.558 0.058 7 0 "[ . 1]" 1
148 1 13 U H2' 1 13 U H6 3.500 2.500 4.500 3.816 3.789 3.853 . 0 0 "[ . 1]" 1
149 1 13 U H3' 1 13 U H6 3.500 2.500 4.500 2.694 2.598 2.786 . 0 0 "[ . 1]" 1
150 1 13 U H3' 1 14 U H6 3.500 2.500 4.500 3.415 3.374 3.453 . 0 0 "[ . 1]" 1
151 1 13 U H1' 1 13 U H5 4.500 3.500 5.500 5.322 5.314 5.329 . 0 0 "[ . 1]" 1
152 1 14 U H1' 1 14 U H6 3.500 2.500 4.500 3.522 3.512 3.531 . 0 0 "[ . 1]" 1
153 1 14 U H1' 1 26 A H2 3.500 2.500 4.500 3.402 3.390 3.413 . 0 0 "[ . 1]" 1
154 1 14 U H3' 1 15 A H8 3.500 2.500 4.500 2.863 2.752 2.967 . 0 0 "[ . 1]" 1
155 1 14 U H5 1 14 U H6 3.500 2.500 4.500 2.416 2.414 2.417 0.086 8 0 "[ . 1]" 1
156 1 15 A H1' 1 25 A H2 3.500 2.500 4.500 4.083 3.959 4.227 . 0 0 "[ . 1]" 1
157 1 15 A H2' 1 15 A H8 3.500 2.500 4.500 4.022 3.992 4.071 . 0 0 "[ . 1]" 1
158 1 15 A H3' 1 15 A H8 3.500 2.500 4.500 3.195 3.123 3.263 . 0 0 "[ . 1]" 1
159 1 15 A H3' 1 16 G H8 3.500 2.500 4.500 3.054 3.012 3.113 . 0 0 "[ . 1]" 1
160 1 16 G H2' 1 16 G H8 3.500 2.500 4.500 3.906 3.858 3.971 . 0 0 "[ . 1]" 1
161 1 16 G H3' 1 16 G H8 3.500 2.500 4.500 3.153 3.007 3.250 . 0 0 "[ . 1]" 1
162 1 16 G H3' 1 17 G H8 3.500 2.500 4.500 3.061 2.943 3.119 . 0 0 "[ . 1]" 1
163 1 17 G H2' 1 17 G H8 3.500 2.500 4.500 3.802 3.755 3.845 . 0 0 "[ . 1]" 1
164 1 18 U H1' 1 18 U H6 3.500 2.500 4.500 3.690 3.682 3.702 . 0 0 "[ . 1]" 1
165 1 18 U H2' 1 18 U H6 3.500 2.500 4.500 2.712 2.666 2.788 . 0 0 "[ . 1]" 1
166 1 18 U H3' 1 19 U H6 3.500 2.500 4.500 4.349 4.186 4.507 0.007 8 0 "[ . 1]" 1
167 1 24 U H1' 1 24 U H6 3.500 2.500 4.500 3.674 3.667 3.691 . 0 0 "[ . 1]" 1
168 1 24 U H1' 1 25 A H1' 3.500 2.500 4.500 5.386 5.338 5.435 0.935 1 10 [+********-] 1
169 1 24 U H1' 1 25 A H8 3.500 2.500 4.500 4.480 4.382 4.526 0.026 5 0 "[ . 1]" 1
170 1 24 U H3' 1 24 U H6 3.500 2.500 4.500 4.100 4.015 4.157 . 0 0 "[ . 1]" 1
171 1 25 A H1' 1 25 A H8 3.500 2.500 4.500 3.710 3.705 3.720 . 0 0 "[ . 1]" 1
172 1 25 A H1' 1 26 A H1' 5.500 4.500 6.500 5.720 5.648 5.854 . 0 0 "[ . 1]" 1
173 1 6 U H6 1 25 A H8 3.500 2.500 4.500 4.521 4.457 4.542 0.042 3 0 "[ . 1]" 1
174 1 26 A H1' 1 27 G H8 6.500 5.500 7.500 7.097 7.058 7.158 . 0 0 "[ . 1]" 1
175 1 14 U H6 1 26 A H2 3.500 2.500 4.500 4.657 4.639 4.680 0.180 6 0 "[ . 1]" 1
176 1 26 A H1' 1 26 A H2' 3.500 2.500 4.500 3.011 3.000 3.020 . 0 0 "[ . 1]" 1
177 1 26 A H3' 1 26 A H8 3.500 2.500 4.500 4.040 3.995 4.094 . 0 0 "[ . 1]" 1
178 1 26 A H4' 1 26 A H8 3.500 2.500 4.500 4.626 4.616 4.638 0.138 1 0 "[ . 1]" 1
179 1 27 G H1' 1 27 G H8 2.500 . 3.500 2.593 2.581 2.608 . 0 0 "[ . 1]" 1
180 1 27 G H2' 1 27 G H8 3.500 2.500 4.500 3.600 3.574 3.624 . 0 0 "[ . 1]" 1
181 1 27 G H3' 1 27 G H8 4.500 3.500 5.500 5.219 5.144 5.259 . 0 0 "[ . 1]" 1
182 1 27 G H4' 1 27 G H8 5.500 4.500 6.500 5.508 5.488 5.558 . 0 0 "[ . 1]" 1
183 1 12 A H2 1 28 U H1' 3.500 2.500 4.500 3.977 3.925 4.031 . 0 0 "[ . 1]" 1
184 1 28 U H1' 1 29 G H8 3.500 2.500 4.500 4.932 4.816 5.015 0.515 8 2 "[ . +-1]" 1
185 1 28 U H3' 1 28 U H6 3.500 2.500 4.500 2.580 2.492 2.655 0.008 5 0 "[ . 1]" 1
186 1 28 U H3' 1 29 G H8 3.500 2.500 4.500 3.024 2.950 3.121 . 0 0 "[ . 1]" 1
187 1 28 U H1' 1 28 U H5 4.500 3.500 5.500 5.377 5.372 5.381 . 0 0 "[ . 1]" 1
188 1 12 A H2 1 28 U H6 4.500 3.500 5.500 5.573 5.546 5.592 0.092 1 0 "[ . 1]" 1
189 1 29 G H1' 1 29 G H8 3.500 2.500 4.500 3.712 3.702 3.720 . 0 0 "[ . 1]" 1
190 1 29 G H2' 1 29 G H8 3.500 2.500 4.500 4.010 3.969 4.032 . 0 0 "[ . 1]" 1
191 1 29 G H4' 1 30 G H8 4.500 3.500 5.500 5.304 5.266 5.346 . 0 0 "[ . 1]" 1
192 1 30 G H2' 1 30 G H8 3.500 2.500 4.500 3.872 3.812 3.914 . 0 0 "[ . 1]" 1
193 1 30 G H3' 1 30 G H8 3.500 2.500 4.500 2.784 2.718 2.930 . 0 0 "[ . 1]" 1
194 1 31 U H1' 1 31 U H6 3.500 2.500 4.500 3.620 3.610 3.624 . 0 0 "[ . 1]" 1
195 1 6 U H1' 1 25 A H2' 2.500 . 3.500 4.037 4.016 4.054 0.554 5 10 [****+***-*] 1
196 1 7 C H1' 1 26 A H2' 3.500 2.500 4.500 4.640 4.616 4.656 0.156 1 0 "[ . 1]" 1
197 1 7 C H1' 1 26 A H8 3.500 2.500 4.500 3.479 3.429 3.558 . 0 0 "[ . 1]" 1
198 1 7 C H1' 1 26 A H1' 5.500 4.500 6.500 6.520 6.509 6.536 0.036 5 0 "[ . 1]" 1
199 1 19 U H1' 1 19 U H5 4.500 3.500 5.500 5.383 5.378 5.393 . 0 0 "[ . 1]" 1
200 1 27 G H8 1 28 U H1' 3.500 2.500 4.500 4.065 3.963 4.127 . 0 0 "[ . 1]" 1
201 1 1 A H1' 1 1 A H2 3.500 2.500 4.500 4.697 4.666 4.728 0.228 8 0 "[ . 1]" 1
202 1 1 A H1' 1 1 A H8 3.500 2.500 4.500 3.738 3.732 3.747 . 0 0 "[ . 1]" 1
203 1 1 A H1' 1 2 A H1' 3.500 2.500 4.500 5.274 5.136 5.346 0.846 6 10 [***-*+****] 1
204 1 1 A H2 1 2 A H2 3.500 2.500 4.500 4.505 4.356 4.612 0.112 6 0 "[ . 1]" 1
205 1 1 A H3' 1 1 A H8 3.500 2.500 4.500 3.015 2.832 3.124 . 0 0 "[ . 1]" 1
206 1 1 A H2 1 2 A H1' 3.500 2.500 4.500 4.104 3.980 4.300 . 0 0 "[ . 1]" 1
207 1 2 A H1' 1 2 A H8 3.500 2.500 4.500 3.768 3.762 3.774 . 0 0 "[ . 1]" 1
208 1 2 A H1' 1 3 C H6 3.500 2.500 4.500 4.660 4.607 4.715 0.215 8 0 "[ . 1]" 1
209 1 2 A H3' 1 3 C H6 3.500 2.500 4.500 3.415 3.297 3.544 . 0 0 "[ . 1]" 1
210 1 2 A H4' 1 3 C H6 4.500 3.500 5.500 5.548 5.523 5.573 0.073 6 0 "[ . 1]" 1
211 1 2 A H2 1 3 C H1' 3.500 2.500 4.500 4.447 4.403 4.503 0.003 2 0 "[ . 1]" 1
212 1 3 C H1' 1 3 C H6 3.500 2.500 4.500 3.636 3.628 3.643 . 0 0 "[ . 1]" 1
213 1 3 C H2' 1 3 C H6 3.500 2.500 4.500 3.585 3.549 3.619 . 0 0 "[ . 1]" 1
214 1 3 C H3' 1 3 C H6 3.500 2.500 4.500 3.114 3.050 3.192 . 0 0 "[ . 1]" 1
215 1 3 C H4' 1 3 C H6 3.500 2.500 4.500 4.295 4.234 4.322 . 0 0 "[ . 1]" 1
216 1 2 A H1' 1 3 C H5 3.500 2.500 4.500 5.424 5.350 5.503 1.003 9 10 [***-****+*] 1
217 1 4 C H1' 1 24 U H6 3.500 2.500 4.500 4.591 4.540 4.682 0.182 5 0 "[ . 1]" 1
218 1 4 C H4' 1 4 C H6 3.500 2.500 4.500 4.488 4.455 4.510 0.010 4 0 "[ . 1]" 1
219 1 4 C H4' 1 24 U H6 4.500 3.500 5.500 5.630 5.600 5.654 0.154 5 0 "[ . 1]" 1
220 1 6 U H1' 1 6 U H5 4.500 3.500 5.500 5.323 5.312 5.330 . 0 0 "[ . 1]" 1
221 1 6 U H1' 1 6 U H6 3.500 2.500 4.500 3.600 3.591 3.608 . 0 0 "[ . 1]" 1
222 1 6 U H1' 1 7 C H6 3.500 2.500 4.500 4.683 4.611 4.783 0.283 5 0 "[ . 1]" 1
223 1 6 U H1' 1 25 A H8 3.500 2.500 4.500 2.006 1.954 2.130 0.546 1 7 "[+-**. ***1]" 1
224 1 6 U H1' 1 26 A H8 3.500 2.500 4.500 4.631 4.529 4.739 0.239 2 0 "[ . 1]" 1
225 1 8 A H1' 1 9 C H6 3.500 2.500 4.500 4.960 4.837 5.018 0.518 5 2 "[ + -]" 1
226 1 8 A H1' 1 9 C H1' 3.500 2.500 4.500 5.415 5.317 5.520 1.020 3 10 [**+*****-*] 1
227 1 8 A H1' 1 9 C H5 3.500 2.500 4.500 5.445 5.375 5.510 1.010 9 10 [*******-+*] 1
228 1 10 C H1' 1 11 A H1' 4.500 3.500 5.500 6.116 6.041 6.195 0.695 5 10 [*-**+*****] 1
229 1 9 C H1' 1 10 C H5 3.500 2.500 4.500 5.272 5.240 5.317 0.817 3 10 [**+***-***] 1
230 1 11 A H1' 1 11 A H8 3.500 2.500 4.500 3.596 3.585 3.611 . 0 0 "[ . 1]" 1
231 1 11 A H1' 1 12 A H8 3.500 2.500 4.500 5.184 5.109 5.263 0.763 1 10 [+***-*****] 1
232 1 11 A H2 1 12 A H2 3.500 2.500 4.500 4.684 4.594 4.765 0.265 8 0 "[ . 1]" 1
233 1 11 A H2 1 12 A H8 3.500 2.500 4.500 5.574 5.554 5.611 1.111 1 10 [+***-*****] 1
234 1 11 A H2' 1 11 A H8 3.500 2.500 4.500 4.271 4.221 4.306 . 0 0 "[ . 1]" 1
235 1 11 A H3' 1 12 A H8 3.500 2.500 4.500 2.699 2.576 2.848 . 0 0 "[ . 1]" 1
236 1 11 A H2 1 12 A H1' 3.500 2.500 4.500 3.542 3.468 3.640 . 0 0 "[ . 1]" 1
237 1 12 A H1' 1 12 A H2 3.500 2.500 4.500 4.748 4.698 4.798 0.298 10 0 "[ . 1]" 1
238 1 12 A H1' 1 12 A H8 3.500 2.500 4.500 3.745 3.726 3.768 . 0 0 "[ . 1]" 1
239 1 12 A H1' 1 13 U H6 3.500 2.500 4.500 4.465 4.412 4.516 0.016 10 0 "[ . 1]" 1
240 1 12 A H2 1 13 U H1' 3.500 2.500 4.500 3.251 3.190 3.282 . 0 0 "[ . 1]" 1
241 1 12 A H1' 1 13 U H5 3.500 2.500 4.500 5.295 5.245 5.346 0.846 10 10 [*****-***+] 1
242 1 12 A H2 1 13 U H5 4.500 3.500 5.500 5.628 5.596 5.649 0.149 9 0 "[ . 1]" 1
243 1 13 U H5 1 14 U H5 3.500 2.500 4.500 4.392 4.362 4.436 . 0 0 "[ . 1]" 1
244 1 12 A H2 1 13 U H6 3.500 2.500 4.500 4.919 4.884 4.953 0.453 4 0 "[ . 1]" 1
245 1 14 U H1' 1 15 A H8 3.500 2.500 4.500 4.577 4.511 4.698 0.198 4 0 "[ . 1]" 1
246 1 14 U H2' 1 14 U H6 3.500 2.500 4.500 3.896 3.856 3.929 . 0 0 "[ . 1]" 1
247 1 14 U H3' 1 14 U H6 3.500 2.500 4.500 2.845 2.789 2.910 . 0 0 "[ . 1]" 1
248 1 15 A H1' 1 15 A H8 3.500 2.500 4.500 3.713 3.691 3.733 . 0 0 "[ . 1]" 1
249 1 15 A H1' 1 16 G H8 3.500 2.500 4.500 4.591 4.534 4.676 0.176 4 0 "[ . 1]" 1
250 1 15 A H1' 1 26 A H1' 3.500 2.500 4.500 6.275 6.097 6.381 1.881 6 10 [**-**+****] 1
251 1 15 A H2 1 16 G H1' 3.500 2.500 4.500 3.571 3.465 3.687 . 0 0 "[ . 1]" 1
252 1 16 G H1' 1 16 G H8 3.500 2.500 4.500 3.725 3.709 3.736 . 0 0 "[ . 1]" 1
253 1 16 G H1' 1 17 G H8 3.500 2.500 4.500 4.788 4.692 4.869 0.369 5 0 "[ . 1]" 1
254 1 16 G H4' 1 16 G H8 3.500 2.500 4.500 4.411 4.337 4.459 . 0 0 "[ . 1]" 1
255 1 16 G H4' 1 17 G H8 4.500 3.500 5.500 5.475 5.412 5.501 0.001 8 0 "[ . 1]" 1
256 1 17 G H1' 1 17 G H8 3.500 2.500 4.500 3.738 3.730 3.748 . 0 0 "[ . 1]" 1
257 1 17 G H1' 1 18 U H6 3.500 2.500 4.500 5.271 5.015 5.388 0.888 5 10 [****+*-***] 1
258 1 2 A H2 1 18 U H1' 5.500 4.500 6.500 5.193 5.088 5.362 . 0 0 "[ . 1]" 1
259 1 18 U H1' 1 19 U H6 3.500 2.500 4.500 4.435 4.381 4.491 . 0 0 "[ . 1]" 1
260 1 19 U H1' 1 19 U H6 3.500 2.500 4.500 3.674 3.664 3.684 . 0 0 "[ . 1]" 1
261 1 18 U H1' 1 19 U H5 4.500 3.500 5.500 5.344 5.243 5.411 . 0 0 "[ . 1]" 1
262 1 24 U H2' 1 24 U H6 3.500 2.500 4.500 2.954 2.901 3.003 . 0 0 "[ . 1]" 1
263 1 24 U H3' 1 25 A H8 3.500 2.500 4.500 3.662 3.585 3.736 . 0 0 "[ . 1]" 1
264 1 15 A H2 1 25 A H1' 3.500 2.500 4.500 3.917 3.730 4.061 . 0 0 "[ . 1]" 1
265 1 25 A H1' 1 25 A H2 3.500 2.500 4.500 4.638 4.617 4.651 0.151 3 0 "[ . 1]" 1
266 1 25 A H1' 1 26 A H8 3.500 2.500 4.500 4.393 4.319 4.491 . 0 0 "[ . 1]" 1
267 1 15 A H8 1 25 A H2 3.500 2.500 4.500 5.190 4.996 5.332 0.832 7 9 "[ *-***+***]" 1
268 1 25 A H2 1 26 A H8 3.500 2.500 4.500 4.658 4.582 4.802 0.302 6 0 "[ . 1]" 1
269 1 25 A H2' 1 25 A H8 3.500 2.500 4.500 3.737 3.717 3.768 . 0 0 "[ . 1]" 1
270 1 25 A H2 1 26 A H1' 3.500 2.500 4.500 3.751 3.688 3.814 . 0 0 "[ . 1]" 1
271 1 26 A H1' 1 26 A H8 3.500 2.500 4.500 3.707 3.696 3.716 . 0 0 "[ . 1]" 1
272 1 12 A H2 1 26 A H2 4.500 3.500 5.500 5.270 5.121 5.329 . 0 0 "[ . 1]" 1
273 1 25 A H2 1 26 A H2' 4.500 3.500 5.500 5.945 5.884 6.016 0.516 5 2 "[ +- 1]" 1
274 1 26 A H2' 1 26 A H8 3.500 2.500 4.500 3.377 3.342 3.401 . 0 0 "[ . 1]" 1
275 1 27 G H1' 1 28 U H6 4.500 3.500 5.500 4.674 4.624 4.783 . 0 0 "[ . 1]" 1
276 1 27 G H3' 1 28 U H6 3.500 2.500 4.500 3.334 3.278 3.413 . 0 0 "[ . 1]" 1
277 1 28 U H1' 1 28 U H6 3.500 2.500 4.500 3.603 3.598 3.613 . 0 0 "[ . 1]" 1
278 1 28 U H2' 1 28 U H6 3.500 2.500 4.500 3.688 3.658 3.714 . 0 0 "[ . 1]" 1
279 1 11 A H2 1 29 G H1' 3.500 2.500 4.500 4.363 4.139 4.531 0.031 10 0 "[ . 1]" 1
280 1 29 G H1' 1 30 G H8 3.500 2.500 4.500 4.533 4.500 4.552 0.052 10 0 "[ . 1]" 1
281 1 30 G H1' 1 30 G H8 3.500 2.500 4.500 3.758 3.743 3.771 . 0 0 "[ . 1]" 1
282 1 30 G H1' 1 31 U H6 3.500 2.500 4.500 4.734 4.647 4.824 0.324 7 0 "[ . 1]" 1
283 1 30 G H3' 1 31 U H6 3.500 2.500 4.500 3.269 3.156 3.364 . 0 0 "[ . 1]" 1
284 1 30 G H1' 1 31 U H1' 5.500 4.500 6.500 6.066 5.757 6.246 . 0 0 "[ . 1]" 1
285 1 30 G H1' 1 31 U H5 3.500 2.500 4.500 5.155 4.956 5.319 0.819 4 9 "[ **+-*****]" 1
286 1 31 U H1' 1 31 U H5 5.500 4.500 6.500 5.355 5.350 5.363 . 0 0 "[ . 1]" 1
287 1 7 C H1' 1 8 A H8 4.500 3.500 5.500 6.608 6.547 6.687 1.187 7 10 [*****-+***] 1
288 1 11 A H2 1 29 G H8 4.500 3.500 5.500 6.262 6.031 6.433 0.933 9 10 [*-******+*] 1
289 1 11 A H2 1 30 G H8 6.500 5.500 7.500 7.888 7.743 8.037 0.537 9 2 "[ . +-]" 1
290 1 14 U H1' 1 15 A H1' 4.500 3.500 5.500 5.840 5.735 5.968 0.468 1 0 "[ . 1]" 1
291 1 14 U H1' 1 25 A H2 4.500 3.500 5.500 5.350 5.327 5.373 . 0 0 "[ . 1]" 1
292 1 13 U H1' 1 14 U H5 4.500 3.500 5.500 5.456 5.397 5.498 . 0 0 "[ . 1]" 1
293 1 15 A H1' 1 15 A H2 4.500 3.500 5.500 4.747 4.704 4.787 . 0 0 "[ . 1]" 1
294 1 25 A H2 1 26 A H2 4.500 3.500 5.500 4.551 4.430 4.708 . 0 0 "[ . 1]" 1
295 1 12 A H2 1 28 U H5 4.500 3.500 5.500 5.921 5.867 5.945 0.445 4 0 "[ . 1]" 1
296 1 29 G H1' 1 30 G H1' 5.500 4.500 6.500 5.990 5.848 6.151 . 0 0 "[ . 1]" 1
297 1 3 C H42 1 17 G H1 3.500 2.500 4.500 3.694 3.569 3.945 . 0 0 "[ . 1]" 1
298 1 3 C H41 1 3 C H5 3.500 2.500 4.500 3.689 3.678 3.696 . 0 0 "[ . 1]" 1
299 1 4 C H42 1 16 G H1 3.500 2.500 4.500 4.495 4.475 4.518 0.018 9 0 "[ . 1]" 1
300 1 4 C H41 1 4 C H5 3.500 2.500 4.500 3.677 3.666 3.683 . 0 0 "[ . 1]" 1
301 1 6 U H3 1 7 C H41 4.500 3.500 5.500 3.692 3.608 3.802 . 0 0 "[ . 1]" 1
302 1 9 C H42 1 30 G H1 3.500 2.500 4.500 3.574 3.465 3.801 . 0 0 "[ . 1]" 1
303 1 10 C H41 1 30 G H1 3.500 2.500 4.500 3.596 3.568 3.639 . 0 0 "[ . 1]" 1
304 1 10 C H42 1 29 G H1 3.500 2.500 4.500 4.530 4.508 4.555 0.055 5 0 "[ . 1]" 1
305 1 10 C H42 1 30 G H1 3.500 2.500 4.500 4.519 4.500 4.539 0.039 8 0 "[ . 1]" 1
306 1 11 A H62 1 28 U H3 3.500 2.500 4.500 3.413 3.389 3.427 . 0 0 "[ . 1]" 1
307 1 12 A H2 1 28 U H3 3.500 2.500 4.500 3.452 3.369 3.514 . 0 0 "[ . 1]" 1
308 1 16 G H1 1 24 U H3 3.500 2.500 4.500 2.885 2.825 2.967 . 0 0 "[ . 1]" 1
309 1 16 G H1 1 17 G H22 5.500 4.500 6.500 4.739 4.537 4.939 . 0 0 "[ . 1]" 1
310 1 24 U H3 1 25 A H61 3.500 2.500 4.500 4.466 4.393 4.510 0.010 7 0 "[ . 1]" 1
311 1 14 U H3 1 25 A H62 3.500 2.500 4.500 4.542 4.524 4.573 0.073 8 0 "[ . 1]" 1
312 1 6 U H3 1 26 A H61 3.500 2.500 4.500 3.497 3.475 3.535 . 0 0 "[ . 1]" 1
313 1 12 A H61 1 26 A H61 3.500 2.500 4.500 3.090 3.038 3.181 . 0 0 "[ . 1]" 1
314 1 6 U H3 1 26 A H62 3.000 . 4.000 1.780 1.755 1.819 0.045 6 0 "[ . 1]" 1
315 1 13 U H3 1 26 A H62 3.500 2.500 4.500 3.735 3.658 3.793 . 0 0 "[ . 1]" 1
316 1 2 A H2 1 17 G H1 4.500 3.500 5.500 4.546 4.420 4.678 . 0 0 "[ . 1]" 1
317 1 3 C H41 1 18 U H3 4.500 3.500 5.500 4.440 4.291 4.638 . 0 0 "[ . 1]" 1
318 1 3 C H42 1 16 G H1 4.500 3.500 5.500 5.575 5.557 5.591 0.091 4 0 "[ . 1]" 1
319 1 3 C H5 1 17 G H1 4.500 3.500 5.500 4.930 4.850 5.102 . 0 0 "[ . 1]" 1
320 1 4 C H42 1 17 G H1 4.500 3.500 5.500 4.951 4.874 5.043 . 0 0 "[ . 1]" 1
321 1 4 C H42 1 24 U H3 4.500 3.500 5.500 5.572 5.557 5.592 0.092 6 0 "[ . 1]" 1
322 1 4 C H5 1 16 G H1 4.500 3.500 5.500 5.337 5.297 5.373 . 0 0 "[ . 1]" 1
323 1 4 C H5 1 17 G H1 4.500 3.500 5.500 5.521 5.503 5.536 0.036 7 0 "[ . 1]" 1
324 1 6 U H1' 1 6 U H3 4.500 3.500 5.500 4.524 4.503 4.543 . 0 0 "[ . 1]" 1
325 1 6 U H3 1 13 U H3 4.500 3.500 5.500 5.312 5.243 5.390 . 0 0 "[ . 1]" 1
326 1 6 U H3 1 6 U H5 4.500 3.500 5.500 4.142 4.129 4.150 . 0 0 "[ . 1]" 1
327 1 7 C H41 1 12 A H61 3.500 2.500 4.500 2.423 2.406 2.433 0.094 5 0 "[ . 1]" 1
328 1 7 C H41 1 12 A H62 4.500 3.500 5.500 3.436 3.419 3.455 0.081 8 0 "[ . 1]" 1
329 1 7 C H41 1 28 U H3 4.500 3.500 5.500 5.363 5.329 5.401 . 0 0 "[ . 1]" 1
330 1 7 C H42 1 28 U H3 5.500 4.500 6.500 6.575 6.569 6.580 0.080 1 0 "[ . 1]" 1
331 1 7 C H41 1 11 A H61 3.500 2.500 4.500 4.114 4.034 4.179 . 0 0 "[ . 1]" 1
332 1 7 C H41 1 11 A H62 4.500 3.500 5.500 3.651 3.552 3.725 . 0 0 "[ . 1]" 1
333 1 7 C H42 1 11 A H62 4.500 3.500 5.500 4.024 3.958 4.076 . 0 0 "[ . 1]" 1
334 1 6 U H3 1 7 C H42 4.500 3.500 5.500 3.869 3.797 3.982 . 0 0 "[ . 1]" 1
335 1 7 C H42 1 12 A H61 4.500 3.500 5.500 3.543 3.512 3.582 . 0 0 "[ . 1]" 1
336 1 7 C H42 1 12 A H62 4.500 3.500 5.500 3.773 3.744 3.795 . 0 0 "[ . 1]" 1
337 1 6 U H3 1 7 C H5 4.500 3.500 5.500 4.281 4.183 4.422 . 0 0 "[ . 1]" 1
338 1 7 C H5 1 12 A H61 4.500 3.500 5.500 5.897 5.863 5.926 0.426 8 0 "[ . 1]" 1
339 1 8 A H2 1 30 G H1 4.500 3.500 5.500 4.518 4.352 4.715 . 0 0 "[ . 1]" 1
340 1 9 C H41 1 29 G H1 4.500 3.500 5.500 4.115 4.045 4.217 . 0 0 "[ . 1]" 1
341 1 9 C H5 1 30 G H1 4.500 3.500 5.500 4.939 4.879 5.096 . 0 0 "[ . 1]" 1
342 1 10 C H5 1 29 G H1 4.500 3.500 5.500 5.445 5.398 5.475 . 0 0 "[ . 1]" 1
343 1 10 C H5 1 30 G H1 4.500 3.500 5.500 5.355 5.272 5.412 . 0 0 "[ . 1]" 1
344 1 10 C H6 1 30 G H1 4.500 3.500 5.500 5.938 5.794 6.016 0.516 10 1 "[ . +]" 1
345 1 11 A H2 1 29 G H1 4.500 3.500 5.500 5.201 5.141 5.281 . 0 0 "[ . 1]" 1
346 1 11 A H61 1 12 A H61 4.500 3.500 5.500 3.477 3.458 3.493 0.042 1 0 "[ . 1]" 1
347 1 11 A H61 1 12 A H62 4.500 3.500 5.500 4.132 4.097 4.176 . 0 0 "[ . 1]" 1
348 1 11 A H62 1 12 A H61 4.500 3.500 5.500 3.390 3.353 3.415 0.147 2 0 "[ . 1]" 1
349 1 11 A H62 1 12 A H62 4.500 3.500 5.500 3.450 3.430 3.465 0.070 1 0 "[ . 1]" 1
350 1 11 A H62 1 29 G H1 4.500 3.500 5.500 3.455 3.434 3.477 0.066 6 0 "[ . 1]" 1
351 1 12 A H2 1 13 U H3 4.500 3.500 5.500 4.282 4.183 4.354 . 0 0 "[ . 1]" 1
352 1 12 A H61 1 13 U H3 4.500 3.500 5.500 3.448 3.431 3.464 0.069 2 0 "[ . 1]" 1
353 1 12 A H61 1 28 U H3 4.500 3.500 5.500 4.145 4.063 4.244 . 0 0 "[ . 1]" 1
354 1 12 A H62 1 13 U H3 4.500 3.500 5.500 4.161 4.115 4.192 . 0 0 "[ . 1]" 1
355 1 13 U H1' 1 13 U H3 4.500 3.500 5.500 4.616 4.604 4.631 . 0 0 "[ . 1]" 1
356 1 14 U H1' 1 14 U H3 4.500 3.500 5.500 4.642 4.622 4.653 . 0 0 "[ . 1]" 1
357 1 6 U H3 1 14 U H3 4.500 3.500 5.500 5.445 5.353 5.505 0.005 8 0 "[ . 1]" 1
358 1 13 U H3 1 14 U H3 4.500 3.500 5.500 4.298 4.206 4.380 . 0 0 "[ . 1]" 1
359 1 14 U H3 1 24 U H3 4.500 3.500 5.500 5.544 5.512 5.566 0.066 1 0 "[ . 1]" 1
360 1 13 U H3 1 14 U H5 4.500 3.500 5.500 4.087 4.017 4.144 . 0 0 "[ . 1]" 1
361 1 14 U H3 1 15 A H1' 4.500 3.500 5.500 5.021 4.923 5.122 . 0 0 "[ . 1]" 1
362 1 14 U H3 1 15 A H2 4.500 3.500 5.500 5.370 5.239 5.495 . 0 0 "[ . 1]" 1
363 1 15 A H2 1 16 G H1 4.500 3.500 5.500 5.257 5.149 5.430 . 0 0 "[ . 1]" 1
364 1 16 G H1 1 17 G H1 4.500 3.500 5.500 3.720 3.631 3.786 . 0 0 "[ . 1]" 1
365 1 17 G H1 1 18 U H3 4.500 3.500 5.500 3.704 3.573 3.798 . 0 0 "[ . 1]" 1
366 1 16 G H1 1 17 G H21 4.500 3.500 5.500 4.326 4.141 4.445 . 0 0 "[ . 1]" 1
367 1 6 U H3 1 24 U H3 4.500 3.500 5.500 6.909 6.788 6.981 1.481 4 10 [**-+******] 1
368 1 16 G H1 1 24 U H5 4.500 3.500 5.500 4.624 4.592 4.704 . 0 0 "[ . 1]" 1
369 1 16 G H1 1 24 U H6 4.500 3.500 5.500 5.588 5.560 5.632 0.132 4 0 "[ . 1]" 1
370 1 6 U H3 1 25 A H2 4.500 3.500 5.500 5.481 5.400 5.516 0.016 1 0 "[ . 1]" 1
371 1 14 U H3 1 26 A H2 4.500 3.500 5.500 3.738 3.564 3.873 . 0 0 "[ . 1]" 1
372 1 12 A H62 1 26 A H61 4.500 3.500 5.500 3.520 3.476 3.576 0.024 6 0 "[ . 1]" 1
373 1 14 U H3 1 26 A H61 4.500 3.500 5.500 4.329 4.270 4.397 . 0 0 "[ . 1]" 1
374 1 12 A H61 1 26 A H62 4.500 3.500 5.500 3.755 3.678 3.839 . 0 0 "[ . 1]" 1
375 1 14 U H3 1 26 A H62 4.500 3.500 5.500 4.619 4.559 4.665 . 0 0 "[ . 1]" 1
376 1 29 G H1 1 30 G H1 4.500 3.500 5.500 3.486 3.460 3.503 0.040 8 0 "[ . 1]" 1
377 1 30 G H1 1 30 G H1' 5.500 4.500 6.500 5.981 5.962 6.000 . 0 0 "[ . 1]" 1
378 1 1 A H2 1 18 U H3 4.500 3.500 5.500 5.505 5.459 5.523 0.023 5 0 "[ . 1]" 1
379 1 3 C H42 1 18 U H3 5.500 4.500 6.500 5.370 5.180 5.580 . 0 0 "[ . 1]" 1
380 1 3 C H5 1 18 U H3 5.500 4.500 6.500 6.136 5.969 6.311 . 0 0 "[ . 1]" 1
381 1 7 C H41 1 13 U H3 5.500 4.500 6.500 5.163 5.116 5.207 . 0 0 "[ . 1]" 1
382 1 7 C H42 1 13 U H3 5.500 4.500 6.500 6.295 6.222 6.333 . 0 0 "[ . 1]" 1
383 1 7 C H5 1 12 A H62 5.500 4.500 6.500 6.210 6.185 6.235 . 0 0 "[ . 1]" 1
384 1 10 C H41 1 28 U H3 5.500 4.500 6.500 4.469 4.449 4.475 0.051 10 0 "[ . 1]" 1
385 1 10 C H42 1 28 U H3 5.500 4.500 6.500 5.601 5.548 5.645 . 0 0 "[ . 1]" 1
386 1 11 A H2 1 12 A H61 5.500 4.500 6.500 6.384 6.319 6.423 . 0 0 "[ . 1]" 1
387 1 11 A H2 1 12 A H62 5.500 4.500 6.500 6.243 6.192 6.284 . 0 0 "[ . 1]" 1
388 1 6 U H3 1 12 A H62 5.500 4.500 6.500 5.568 5.496 5.668 . 0 0 "[ . 1]" 1
389 1 17 G H21 1 18 U H3 4.500 3.500 5.500 4.391 4.245 4.556 . 0 0 "[ . 1]" 1
390 1 18 U H1' 1 18 U H3 3.500 3.500 4.500 4.477 4.469 4.489 . 0 0 "[ . 1]" 1
391 1 18 U H3 1 19 U H5 4.500 3.500 5.500 5.095 4.976 5.211 . 0 0 "[ . 1]" 1
392 1 13 U H3 1 25 A H2 5.500 4.500 6.500 5.895 5.843 5.977 . 0 0 "[ . 1]" 1
393 1 28 U H1' 1 28 U H3 4.500 3.500 5.500 4.600 4.587 4.616 . 0 0 "[ . 1]" 1
394 1 30 G H1 1 31 U H5 5.500 4.500 6.500 5.357 5.121 5.577 . 0 0 "[ . 1]" 1
395 1 6 U H5 1 13 U H3 6.500 5.500 7.500 7.653 7.631 7.671 0.171 6 0 "[ . 1]" 1
396 1 7 C N4 1 12 A H61 3.500 2.500 4.500 3.290 3.268 3.314 . 0 0 "[ . 1]" 1
397 1 7 C N4 1 12 A H62 3.500 2.500 4.500 3.987 3.969 4.000 . 0 0 "[ . 1]" 1
398 1 7 C N4 1 26 A H61 3.500 2.500 4.500 4.557 4.540 4.599 0.099 6 0 "[ . 1]" 1
399 1 7 C N4 1 26 A H62 3.500 2.500 4.500 3.750 3.701 3.791 . 0 0 "[ . 1]" 1
400 1 9 C H41 1 10 C N4 3.500 2.500 4.500 3.079 3.006 3.128 . 0 0 "[ . 1]" 1
401 1 9 C H42 1 10 C N4 3.500 2.500 4.500 2.982 2.959 3.019 . 0 0 "[ . 1]" 1
402 1 10 C N4 1 11 A H61 3.500 2.500 4.500 3.422 3.376 3.459 . 0 0 "[ . 1]" 1
403 1 10 C N4 1 11 A H62 3.500 2.500 4.500 2.451 2.424 2.468 0.076 4 0 "[ . 1]" 1
404 1 11 A N6 1 12 A H61 3.500 2.500 4.500 3.443 3.423 3.458 . 0 0 "[ . 1]" 1
405 1 11 A N6 1 12 A H62 3.500 2.500 4.500 3.657 3.639 3.680 . 0 0 "[ . 1]" 1
406 1 14 U H3 1 25 A N6 3.500 2.500 4.500 3.536 3.517 3.570 . 0 0 "[ . 1]" 1
407 1 24 U H3 1 25 A N6 3.500 2.500 4.500 4.043 3.969 4.093 . 0 0 "[ . 1]" 1
408 1 6 U H3 1 26 A N6 3.500 2.500 4.500 2.616 2.594 2.657 . 0 0 "[ . 1]" 1
409 1 7 C H41 1 26 A N6 3.500 2.500 4.500 3.790 3.754 3.826 . 0 0 "[ . 1]" 1
410 1 7 C H42 1 26 A N6 3.500 2.500 4.500 4.532 4.516 4.547 0.047 10 0 "[ . 1]" 1
411 1 12 A H61 1 26 A N6 3.500 2.500 4.500 3.418 3.364 3.495 . 0 0 "[ . 1]" 1
412 1 12 A H62 1 26 A N6 3.500 2.500 4.500 4.129 4.055 4.181 . 0 0 "[ . 1]" 1
413 1 13 U H3 1 26 A N6 3.500 2.500 4.500 2.755 2.685 2.807 . 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 83
_Distance_constraint_stats_list.Viol_count 190
_Distance_constraint_stats_list.Viol_total 66.929
_Distance_constraint_stats_list.Viol_max 0.166
_Distance_constraint_stats_list.Viol_rms 0.0220
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0081
_Distance_constraint_stats_list.Viol_average_violations_only 0.0352
_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 A 0.220 0.048 10 0 "[ . 1]"
1 2 A 0.132 0.040 10 0 "[ . 1]"
1 3 C 1.734 0.096 6 0 "[ . 1]"
1 4 C 0.130 0.029 5 0 "[ . 1]"
1 6 U 0.303 0.051 2 0 "[ . 1]"
1 7 C 0.613 0.056 6 0 "[ . 1]"
1 8 A 0.026 0.010 3 0 "[ . 1]"
1 9 C 0.086 0.025 9 0 "[ . 1]"
1 10 C 0.023 0.011 7 0 "[ . 1]"
1 11 A 0.195 0.027 6 0 "[ . 1]"
1 12 A 1.378 0.086 1 0 "[ . 1]"
1 13 U 1.496 0.166 10 0 "[ . 1]"
1 14 U 0.193 0.046 4 0 "[ . 1]"
1 15 A 0.163 0.039 7 0 "[ . 1]"
1 16 G 0.094 0.029 5 0 "[ . 1]"
1 17 G 0.473 0.074 8 0 "[ . 1]"
1 18 U 0.132 0.040 10 0 "[ . 1]"
1 19 U 0.220 0.048 10 0 "[ . 1]"
1 22 A 1.260 0.096 6 0 "[ . 1]"
1 23 A 0.036 0.018 5 0 "[ . 1]"
1 24 U 0.163 0.039 7 0 "[ . 1]"
1 25 A 0.193 0.046 4 0 "[ . 1]"
1 26 A 1.799 0.166 10 0 "[ . 1]"
1 27 G 1.991 0.086 1 0 "[ . 1]"
1 28 U 0.195 0.027 6 0 "[ . 1]"
1 29 G 0.023 0.011 7 0 "[ . 1]"
1 30 G 0.086 0.025 9 0 "[ . 1]"
1 31 U 0.026 0.010 3 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 C O2 1 23 A H61 2.000 . 2.200 2.199 2.176 2.218 0.018 5 0 "[ . 1]" 2
2 1 4 C O2' 1 23 A H62 2.000 . 2.200 1.904 1.847 2.019 . 0 0 "[ . 1]" 2
3 1 4 C O2 1 23 A N6 2.900 2.600 3.600 2.622 2.603 2.633 . 0 0 "[ . 1]" 2
4 1 4 C O2' 1 23 A N6 2.900 2.600 3.600 2.685 2.642 2.792 . 0 0 "[ . 1]" 2
5 1 3 C O2 1 22 A Q6 2.000 . 2.200 2.002 1.989 2.011 . 0 0 "[ . 1]" 2
6 1 3 C O2' 1 22 A Q6 2.000 . 2.200 2.283 2.256 2.296 0.096 6 0 "[ . 1]" 2
7 1 3 C O2 1 22 A N6 2.900 2.600 3.600 2.557 2.546 2.572 0.054 1 0 "[ . 1]" 2
8 1 3 C O2' 1 22 A N6 2.900 2.600 3.600 3.248 3.219 3.266 . 0 0 "[ . 1]" 2
9 1 1 A N1 1 19 U H3 2.000 . 2.500 1.949 1.913 1.985 . 0 0 "[ . 1]" 2
10 1 1 A N1 1 19 U N3 2.900 2.600 3.200 2.942 2.892 2.987 . 0 0 "[ . 1]" 2
11 1 1 A H61 1 19 U O4 2.000 . 2.200 2.170 2.064 2.230 0.030 6 0 "[ . 1]" 2
12 1 1 A N6 1 19 U O4 2.900 2.600 3.200 3.129 3.011 3.184 . 0 0 "[ . 1]" 2
13 1 1 A H2 1 19 U O2 3.100 2.800 3.400 2.798 2.752 2.931 0.048 10 0 "[ . 1]" 2
14 1 2 A N1 1 18 U H3 2.000 . 2.500 2.005 1.931 2.135 . 0 0 "[ . 1]" 2
15 1 2 A N1 1 18 U N3 2.900 2.600 3.200 2.954 2.895 3.035 . 0 0 "[ . 1]" 2
16 1 2 A H61 1 18 U O4 2.000 . 2.200 2.190 2.104 2.240 0.040 10 0 "[ . 1]" 2
17 1 2 A N6 1 18 U O4 2.900 2.600 3.200 3.109 3.031 3.150 . 0 0 "[ . 1]" 2
18 1 2 A H2 1 18 U O2 3.100 2.800 3.400 2.886 2.789 3.040 0.011 9 0 "[ . 1]" 2
19 1 3 C N3 1 17 G H1 2.000 . 2.200 1.987 1.955 2.030 . 0 0 "[ . 1]" 2
20 1 3 C N3 1 17 G N1 2.900 2.600 3.200 2.975 2.942 3.038 . 0 0 "[ . 1]" 2
21 1 3 C H41 1 17 G O6 2.000 . 2.200 2.161 2.118 2.208 0.008 4 0 "[ . 1]" 2
22 1 3 C N4 1 17 G O6 2.900 2.600 3.200 3.145 3.098 3.192 . 0 0 "[ . 1]" 2
23 1 3 C O2 1 17 G H21 2.000 . 2.200 1.753 1.726 1.789 0.074 8 0 "[ . 1]" 2
24 1 3 C O2 1 17 G N2 2.900 2.600 3.200 2.685 2.654 2.768 . 0 0 "[ . 1]" 2
25 1 4 C N3 1 16 G H1 2.000 . 2.200 2.025 1.980 2.072 . 0 0 "[ . 1]" 2
26 1 4 C N3 1 16 G N1 2.900 2.600 3.200 3.016 2.967 3.071 . 0 0 "[ . 1]" 2
27 1 4 C H41 1 16 G O6 2.000 . 2.200 2.140 2.101 2.202 0.002 1 0 "[ . 1]" 2
28 1 4 C N4 1 16 G O6 2.900 2.600 3.200 3.115 3.071 3.186 . 0 0 "[ . 1]" 2
29 1 4 C O2 1 16 G H21 2.000 . 2.200 1.804 1.771 1.851 0.029 5 0 "[ . 1]" 2
30 1 4 C O2 1 16 G N2 2.900 2.600 3.200 2.800 2.760 2.851 . 0 0 "[ . 1]" 2
31 1 15 A N1 1 24 U H3 2.000 . 2.500 2.002 1.909 2.088 . 0 0 "[ . 1]" 2
32 1 15 A N1 1 24 U N3 2.900 2.600 3.200 2.944 2.850 3.049 . 0 0 "[ . 1]" 2
33 1 15 A H61 1 24 U O4 2.000 . 2.200 2.060 1.843 2.205 0.005 8 0 "[ . 1]" 2
34 1 15 A N6 1 24 U O4 2.900 2.600 3.200 3.064 2.851 3.213 0.013 8 0 "[ . 1]" 2
35 1 15 A H2 1 24 U O2 3.100 2.800 3.400 2.793 2.761 2.850 0.039 7 0 "[ . 1]" 2
36 1 14 U H3 1 25 A N1 2.000 . 2.500 1.865 1.842 1.893 . 0 0 "[ . 1]" 2
37 1 14 U N3 1 25 A N1 2.900 2.600 3.200 2.830 2.801 2.863 . 0 0 "[ . 1]" 2
38 1 14 U O4 1 25 A H61 2.000 . 2.200 2.087 2.006 2.171 . 0 0 "[ . 1]" 2
39 1 14 U O4 1 25 A N6 2.900 2.600 3.200 3.008 2.929 3.083 . 0 0 "[ . 1]" 2
40 1 14 U O2 1 25 A H2 3.100 2.800 3.400 2.781 2.754 2.800 0.046 4 0 "[ . 1]" 2
41 1 13 U H3 1 26 A N1 2.000 . 2.500 1.938 1.882 1.963 . 0 0 "[ . 1]" 2
42 1 13 U N3 1 26 A N1 2.900 2.600 3.200 2.898 2.849 2.917 . 0 0 "[ . 1]" 2
43 1 13 U O4 1 26 A H61 2.000 . 2.200 2.185 2.088 2.209 0.009 8 0 "[ . 1]" 2
44 1 13 U O4 1 26 A N6 2.900 2.600 3.200 3.191 3.096 3.217 0.017 8 0 "[ . 1]" 2
45 1 13 U O2 1 26 A H2 3.100 2.800 3.400 2.658 2.634 2.684 0.166 10 0 "[ . 1]" 2
46 1 12 A H1 1 27 G N7 2.000 . 2.200 2.238 2.225 2.259 0.059 6 0 "[ . 1]" 2
47 1 12 A N1 1 27 G N7 2.900 2.600 3.200 3.100 3.063 3.126 . 0 0 "[ . 1]" 2
48 1 12 A H61 1 27 G O6 2.000 . 2.200 2.262 2.252 2.286 0.086 1 0 "[ . 1]" 2
49 1 12 A N6 1 27 G O6 2.900 2.600 3.200 3.238 3.226 3.262 0.062 1 0 "[ . 1]" 2
50 1 11 A N1 1 28 U H3 2.000 . 2.500 2.107 2.094 2.116 . 0 0 "[ . 1]" 2
51 1 11 A N1 1 28 U N3 2.900 2.600 3.200 3.079 3.067 3.089 . 0 0 "[ . 1]" 2
52 1 11 A H61 1 28 U O4 2.000 . 2.200 1.796 1.779 1.834 0.021 8 0 "[ . 1]" 2
53 1 11 A N6 1 28 U O4 2.900 2.600 3.200 2.730 2.706 2.775 . 0 0 "[ . 1]" 2
54 1 11 A H2 1 28 U O2 3.100 2.800 3.400 3.403 3.361 3.427 0.027 6 0 "[ . 1]" 2
55 1 10 C N3 1 29 G H1 2.000 . 2.200 2.167 2.096 2.211 0.011 7 0 "[ . 1]" 2
56 1 10 C N3 1 29 G N1 2.900 2.600 3.200 3.148 3.073 3.200 0.000 7 0 "[ . 1]" 2
57 1 10 C H41 1 29 G O6 2.000 . 2.200 2.160 2.140 2.203 0.003 7 0 "[ . 1]" 2
58 1 10 C N4 1 29 G O6 2.900 2.600 3.200 3.144 3.114 3.195 . 0 0 "[ . 1]" 2
59 1 10 C O2 1 29 G H21 2.000 . 2.200 2.135 2.037 2.193 . 0 0 "[ . 1]" 2
60 1 10 C O2 1 29 G N2 2.900 2.600 3.200 3.122 3.016 3.178 . 0 0 "[ . 1]" 2
61 1 9 C N3 1 30 G H1 2.000 . 2.200 2.182 2.133 2.207 0.007 10 0 "[ . 1]" 2
62 1 9 C N3 1 30 G N1 2.900 2.600 3.200 3.164 3.107 3.205 0.005 5 0 "[ . 1]" 2
63 1 9 C H41 1 30 G O6 2.000 . 2.200 2.132 2.117 2.152 . 0 0 "[ . 1]" 2
64 1 9 C N4 1 30 G O6 2.900 2.600 3.200 3.095 3.081 3.123 . 0 0 "[ . 1]" 2
65 1 9 C O2 1 30 G H21 2.000 . 2.200 2.167 2.057 2.225 0.025 9 0 "[ . 1]" 2
66 1 9 C O2 1 30 G N2 2.900 2.600 3.200 3.113 2.988 3.192 . 0 0 "[ . 1]" 2
67 1 8 A N1 1 31 U H3 2.000 . 2.500 1.892 1.798 2.093 0.002 2 0 "[ . 1]" 2
68 1 8 A N1 1 31 U N3 2.900 2.600 3.200 2.854 2.778 3.003 . 0 0 "[ . 1]" 2
69 1 8 A H61 1 31 U O4 2.000 . 2.200 1.900 1.790 2.163 0.010 3 0 "[ . 1]" 2
70 1 8 A N6 1 31 U O4 2.900 2.600 3.200 2.850 2.760 3.065 . 0 0 "[ . 1]" 2
71 1 8 A H2 1 31 U O2 3.100 2.800 3.400 2.900 2.790 3.127 0.010 7 0 "[ . 1]" 2
72 1 6 U H3 1 26 A N7 2.000 . 2.500 1.967 1.951 1.986 . 0 0 "[ . 1]" 2
73 1 6 U N3 1 26 A N7 2.900 2.700 3.400 2.804 2.780 2.836 . 0 0 "[ . 1]" 2
74 1 6 U O4 1 26 A H62 2.000 . 2.500 1.845 1.831 1.893 . 0 0 "[ . 1]" 2
75 1 6 U O4 1 26 A N6 2.900 2.700 3.400 2.673 2.649 2.729 0.051 2 0 "[ . 1]" 2
76 1 7 C N3 1 27 G H1 2.000 . 2.200 1.951 1.926 1.979 . 0 0 "[ . 1]" 2
77 1 7 C N3 1 27 G N1 2.900 2.600 3.200 2.848 2.832 2.873 . 0 0 "[ . 1]" 2
78 1 7 C H41 1 27 G O6 2.000 . 2.200 2.115 2.088 2.152 . 0 0 "[ . 1]" 2
79 1 7 C H42 1 27 G O6 3.600 3.300 3.900 3.846 3.818 3.885 . 0 0 "[ . 1]" 2
80 1 7 C N4 1 27 G O6 2.900 2.600 3.200 3.048 3.022 3.084 . 0 0 "[ . 1]" 2
81 1 7 C O2 1 27 G H21 2.000 . 2.200 1.752 1.744 1.770 0.056 6 0 "[ . 1]" 2
82 1 7 C O2 1 27 G H22 3.600 3.300 3.900 3.347 3.330 3.360 . 0 0 "[ . 1]" 2
83 1 7 C O2 1 27 G N2 2.900 2.600 3.200 2.586 2.580 2.595 0.020 5 0 "[ . 1]" 2
stop_
save_
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