NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
395779 |
1s34   |
6062 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1s34
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 362
_Distance_constraint_stats_list.Viol_count 354
_Distance_constraint_stats_list.Viol_total 1587.963
_Distance_constraint_stats_list.Viol_max 1.343
_Distance_constraint_stats_list.Viol_rms 0.0979
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0195
_Distance_constraint_stats_list.Viol_average_violations_only 0.2991
_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 0.000 0.000 . 0 "[ . 1 .]"
1 2 G 4.840 0.230 2 0 "[ . 1 .]"
1 3 G 5.284 0.277 6 0 "[ . 1 .]"
1 4 G 3.218 0.433 13 0 "[ . 1 .]"
1 5 A 0.898 0.210 3 0 "[ . 1 .]"
1 6 G 4.176 0.339 6 0 "[ . 1 .]"
1 7 U 1.268 0.306 5 0 "[ . 1 .]"
1 8 G 2.800 0.339 6 0 "[ . 1 .]"
1 9 G 6.583 0.541 14 2 "[ . - 1 +.]"
1 10 U 10.459 0.742 3 6 "[**+ .*- 1 *.]"
1 11 U 18.570 1.031 5 12 "[*** +* *** -***]"
1 12 U 31.816 1.031 5 13 "[ ***+* ***-****]"
1 13 G 24.910 1.343 11 11 "[** .* ***+****]"
1 14 U 21.276 1.168 10 13 "[**-*** **+** **]"
1 15 A 29.564 1.343 11 12 "[****** *1+**-*]"
1 16 U 0.682 0.192 5 0 "[ . 1 .]"
1 17 C 2.081 0.264 13 0 "[ . 1 .]"
1 18 C 8.040 0.464 11 0 "[ . 1 .]"
1 19 U 6.358 0.464 11 0 "[ . 1 .]"
1 20 U 0.000 0.000 . 0 "[ . 1 .]"
1 21 C 0.000 0.000 . 0 "[ . 1 .]"
1 22 C 0.353 0.092 15 0 "[ . 1 .]"
1 23 C 3.509 0.230 2 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 14 U H1' 1 14 U H5' 6.000 . 6.000 4.603 4.499 4.811 . 0 0 "[ . 1 .]" 1
2 1 14 U H1' 1 14 U H5'' 6.000 . 6.000 5.026 4.482 5.142 . 0 0 "[ . 1 .]" 1
3 1 9 G H3' 1 10 U H5 4.000 . 4.000 3.657 3.525 3.777 . 0 0 "[ . 1 .]" 1
4 1 9 G H4' 1 10 U H5 6.000 . 6.000 6.439 6.357 6.541 0.541 14 2 "[ . - 1 +.]" 1
5 1 10 U H2' 1 10 U H5 6.000 . 6.000 5.025 4.969 5.152 . 0 0 "[ . 1 .]" 1
6 1 10 U H4' 1 10 U H5 7.000 . 7.000 6.467 6.416 6.506 . 0 0 "[ . 1 .]" 1
7 1 17 C H3' 1 18 C H5 6.000 . 6.000 4.027 3.404 4.952 . 0 0 "[ . 1 .]" 1
8 1 18 C H2' 1 18 C H5 7.000 . 7.000 5.251 5.188 5.347 . 0 0 "[ . 1 .]" 1
9 1 17 C H2' 1 18 C H5 5.000 . 5.000 4.467 3.808 5.264 0.264 13 0 "[ . 1 .]" 1
10 1 18 C H3' 1 18 C H5 7.000 . 7.000 4.539 4.468 4.639 . 0 0 "[ . 1 .]" 1
11 1 17 C H2' 1 17 C H5 6.000 . 6.000 5.163 5.114 5.211 . 0 0 "[ . 1 .]" 1
12 1 16 U H4' 1 17 C H5 7.000 . 7.000 6.984 6.743 7.192 0.192 5 0 "[ . 1 .]" 1
13 1 9 G H2' 1 10 U H5 6.000 . 6.000 3.554 3.405 3.705 . 0 0 "[ . 1 .]" 1
14 1 10 U H3' 1 10 U H5 6.000 . 6.000 4.710 4.521 4.830 . 0 0 "[ . 1 .]" 1
15 1 11 U H1' 1 12 U H5' 5.000 . 5.000 3.068 2.190 4.731 . 0 0 "[ . 1 .]" 1
16 1 11 U H1' 1 12 U H5'' 5.000 . 5.000 3.582 2.267 5.611 0.611 3 1 "[ + . 1 .]" 1
17 1 12 U H2' 1 12 U H5 4.000 . 4.000 4.351 4.106 4.700 0.700 4 2 "[ +. 1 -.]" 1
18 1 12 U H5 1 12 U H5' 6.000 . 6.000 5.558 3.980 6.161 0.161 4 0 "[ . 1 .]" 1
19 1 12 U H5 1 12 U H5'' 6.000 . 6.000 5.158 3.623 6.613 0.613 3 1 "[ + . 1 .]" 1
20 1 12 U H1' 1 13 G H2' 5.000 . 5.000 4.231 2.357 5.500 0.500 11 1 "[ . 1+ .]" 1
21 1 12 U H1' 1 13 G H3' . . 6.000 5.258 4.614 5.944 . 0 0 "[ . 1 .]" 1
22 1 16 U H2' 1 17 C H5 6.000 . 6.000 3.946 3.836 4.115 . 0 0 "[ . 1 .]" 1
23 1 16 U H3' 1 17 C H5 6.000 . 6.000 4.141 3.824 4.354 . 0 0 "[ . 1 .]" 1
24 1 17 C H3' 1 17 C H5 5.000 . 5.000 4.590 4.522 4.657 . 0 0 "[ . 1 .]" 1
25 1 17 C H5 1 17 C H5' 7.000 . 7.000 6.060 5.896 6.169 . 0 0 "[ . 1 .]" 1
26 1 18 C H5 1 18 C H5' 7.000 . 7.000 5.758 5.637 5.869 . 0 0 "[ . 1 .]" 1
27 1 12 U H1' 1 13 G H8 7.000 . 7.000 3.164 2.606 4.070 . 0 0 "[ . 1 .]" 1
28 1 12 U H1' 1 12 U H6 4.000 . 4.000 3.729 3.681 3.743 . 0 0 "[ . 1 .]" 1
29 1 20 U H1' 1 20 U H6 5.000 . 5.000 3.629 3.618 3.651 . 0 0 "[ . 1 .]" 1
30 1 1 G H1' 1 1 G H8 6.000 . 6.000 3.721 3.703 3.742 . 0 0 "[ . 1 .]" 1
31 1 1 G H1' 1 2 G H8 6.000 . 6.000 4.745 4.709 4.778 . 0 0 "[ . 1 .]" 1
32 1 2 G H1' 1 2 G H8 6.000 . 6.000 3.783 3.777 3.789 . 0 0 "[ . 1 .]" 1
33 1 2 G H1' 1 3 G H8 6.000 . 6.000 4.971 4.693 5.082 . 0 0 "[ . 1 .]" 1
34 1 3 G H1' 1 3 G H8 6.000 . 6.000 3.728 3.679 3.779 . 0 0 "[ . 1 .]" 1
35 1 3 G H1' 1 4 G H8 6.000 . 6.000 4.834 4.772 4.933 . 0 0 "[ . 1 .]" 1
36 1 4 G H1' 1 4 G H8 5.000 . 5.000 3.691 3.674 3.768 . 0 0 "[ . 1 .]" 1
37 1 4 G H1' 1 5 A H8 5.000 . 5.000 4.866 4.763 4.931 . 0 0 "[ . 1 .]" 1
38 1 5 A H1' 1 5 A H8 5.000 . 5.000 3.790 3.776 3.794 . 0 0 "[ . 1 .]" 1
39 1 5 A H2 1 6 G H1' 6.000 . 6.000 4.694 4.461 4.870 . 0 0 "[ . 1 .]" 1
40 1 5 A H1' 1 6 G H8 6.000 . 6.000 4.884 4.720 5.104 . 0 0 "[ . 1 .]" 1
41 1 6 G H1' 1 6 G H8 6.000 . 6.000 3.864 3.810 3.895 . 0 0 "[ . 1 .]" 1
42 1 7 U H1' 1 7 U H6 5.000 . 5.000 3.675 3.433 3.733 . 0 0 "[ . 1 .]" 1
43 1 8 G H1' 1 8 G H8 5.000 . 5.000 3.764 3.722 3.781 . 0 0 "[ . 1 .]" 1
44 1 8 G H1' 1 9 G H8 5.000 . 5.000 4.722 4.664 4.788 . 0 0 "[ . 1 .]" 1
45 1 9 G H1' 1 9 G H8 5.000 . 5.000 3.797 3.784 3.809 . 0 0 "[ . 1 .]" 1
46 1 9 G H8 1 10 U H5 6.000 . 6.000 3.786 3.469 4.048 . 0 0 "[ . 1 .]" 1
47 1 9 G H1' 1 10 U H6 5.000 . 5.000 4.889 4.758 4.970 . 0 0 "[ . 1 .]" 1
48 1 10 U H1' 1 10 U H5 . . 6.000 5.388 5.363 5.405 . 0 0 "[ . 1 .]" 1
49 1 10 U H1' 1 10 U H6 5.000 . 5.000 3.652 3.615 3.676 . 0 0 "[ . 1 .]" 1
50 1 10 U H5 1 11 U H5 6.000 . 6.000 4.029 2.452 6.583 0.583 2 2 "[ + .- 1 .]" 1
51 1 10 U H6 1 11 U H5 6.000 . 6.000 3.708 2.973 5.241 . 0 0 "[ . 1 .]" 1
52 1 10 U H1' 1 11 U H6 6.000 . 6.000 4.607 2.481 5.701 . 0 0 "[ . 1 .]" 1
53 1 10 U H5 1 11 U H6 7.000 . 7.000 5.624 4.231 7.312 0.312 2 0 "[ . 1 .]" 1
54 1 11 U H1' 1 11 U H6 4.000 . 4.000 3.692 3.555 3.724 . 0 0 "[ . 1 .]" 1
55 1 11 U H1' 1 12 U H6 6.000 . 6.000 3.874 2.902 5.665 . 0 0 "[ . 1 .]" 1
56 1 13 G H1' 1 13 G H8 4.000 . 4.000 3.835 3.488 3.908 . 0 0 "[ . 1 .]" 1
57 1 14 U H1' 1 14 U H6 5.000 . 5.000 3.659 3.252 3.730 . 0 0 "[ . 1 .]" 1
58 1 10 U H1' 1 15 A H2 7.000 . 7.000 5.235 4.943 5.474 . 0 0 "[ . 1 .]" 1
59 1 11 U H1' 1 15 A H2 5.000 . 5.000 4.638 3.482 5.550 0.550 3 1 "[ + . 1 .]" 1
60 1 11 U H5 1 15 A H2 7.000 . 7.000 6.206 4.081 7.250 0.250 9 0 "[ . 1 .]" 1
61 1 14 U H1' 1 15 A H8 5.000 . 5.000 5.203 3.401 5.937 0.937 15 8 "[**-*.* *1 *+]" 1
62 1 15 A H1' 1 15 A H2 6.000 . 6.000 4.740 4.612 4.927 . 0 0 "[ . 1 .]" 1
63 1 15 A H1' 1 15 A H8 5.000 . 5.000 3.757 3.640 3.835 . 0 0 "[ . 1 .]" 1
64 1 15 A H2 1 16 U H1' 5.000 . 5.000 3.508 2.513 3.905 . 0 0 "[ . 1 .]" 1
65 1 15 A H8 1 16 U H5 6.000 . 6.000 3.969 3.567 5.019 . 0 0 "[ . 1 .]" 1
66 1 15 A H1' 1 16 U H6 6.000 . 6.000 4.835 4.733 4.967 . 0 0 "[ . 1 .]" 1
67 1 16 U H1' 1 16 U H6 6.000 . 6.000 3.615 3.606 3.620 . 0 0 "[ . 1 .]" 1
68 1 16 U H6 1 17 C H5 7.000 . 7.000 4.739 4.524 5.366 . 0 0 "[ . 1 .]" 1
69 1 16 U H1' 1 17 C H6 6.000 . 6.000 4.825 4.731 4.966 . 0 0 "[ . 1 .]" 1
70 1 17 C H1' 1 17 C H6 6.000 . 6.000 3.622 3.617 3.633 . 0 0 "[ . 1 .]" 1
71 1 17 C H5 1 18 C H5 5.000 . 5.000 3.557 3.229 3.807 . 0 0 "[ . 1 .]" 1
72 1 17 C H6 1 18 C H5 6.000 . 6.000 4.158 3.777 4.635 . 0 0 "[ . 1 .]" 1
73 1 17 C H1' 1 18 C H6 7.000 . 7.000 5.214 4.891 5.695 . 0 0 "[ . 1 .]" 1
74 1 18 C H1' 1 18 C H6 6.000 . 6.000 3.596 3.555 3.617 . 0 0 "[ . 1 .]" 1
75 1 18 C H1' 1 19 U H6 5.000 . 5.000 4.622 4.570 4.690 . 0 0 "[ . 1 .]" 1
76 1 18 C H5 1 19 U H6 6.000 . 6.000 5.271 5.134 5.497 . 0 0 "[ . 1 .]" 1
77 1 19 U H1' 1 19 U H6 5.000 . 5.000 3.609 3.605 3.611 . 0 0 "[ . 1 .]" 1
78 1 5 A H2 1 20 U H1' 4.000 . 4.000 2.766 2.675 2.921 . 0 0 "[ . 1 .]" 1
79 1 19 U H5 1 20 U H5 6.000 . 6.000 3.632 3.478 3.748 . 0 0 "[ . 1 .]" 1
80 1 19 U H6 1 20 U H5 7.000 . 7.000 3.889 3.719 3.965 . 0 0 "[ . 1 .]" 1
81 1 20 U H5 1 21 C H5 6.000 . 6.000 3.666 3.506 4.020 . 0 0 "[ . 1 .]" 1
82 1 20 U H6 1 21 C H5 7.000 . 7.000 4.214 4.074 4.320 . 0 0 "[ . 1 .]" 1
83 1 20 U H1' 1 21 C H6 6.000 . 6.000 4.834 4.635 4.971 . 0 0 "[ . 1 .]" 1
84 1 21 C H1' 1 21 C H6 5.000 . 5.000 3.594 3.580 3.624 . 0 0 "[ . 1 .]" 1
85 1 21 C H5 1 22 C H5 5.000 . 5.000 4.235 3.949 4.460 . 0 0 "[ . 1 .]" 1
86 1 21 C H6 1 22 C H5 6.000 . 6.000 4.564 4.313 4.760 . 0 0 "[ . 1 .]" 1
87 1 21 C H5 1 22 C H6 7.000 . 7.000 5.765 5.589 5.909 . 0 0 "[ . 1 .]" 1
88 1 21 C H1' 1 22 C H6 5.000 . 5.000 4.746 4.688 4.770 . 0 0 "[ . 1 .]" 1
89 1 22 C H1' 1 22 C H6 5.000 . 5.000 3.612 3.609 3.619 . 0 0 "[ . 1 .]" 1
90 1 22 C H1' 1 23 C H6 5.000 . 5.000 4.805 4.790 4.843 . 0 0 "[ . 1 .]" 1
91 1 23 C H1' 1 23 C H6 5.000 . 5.000 3.626 3.621 3.638 . 0 0 "[ . 1 .]" 1
92 1 4 G H8 1 5 A H8 7.000 . 7.000 4.706 4.417 4.785 . 0 0 "[ . 1 .]" 1
93 1 5 A H8 1 6 G H8 7.000 . 7.000 4.682 4.551 4.936 . 0 0 "[ . 1 .]" 1
94 1 6 G H8 1 7 U H6 7.000 . 7.000 6.843 6.282 7.306 0.306 5 0 "[ . 1 .]" 1
95 1 9 G H8 1 10 U H6 7.000 . 7.000 4.810 4.525 5.057 . 0 0 "[ . 1 .]" 1
96 1 10 U H6 1 11 U H6 6.000 . 6.000 4.665 4.148 5.717 . 0 0 "[ . 1 .]" 1
97 1 12 U H6 1 15 A H2 6.000 . 6.000 5.846 4.608 6.400 0.400 5 0 "[ . 1 .]" 1
98 1 15 A H8 1 16 U H6 6.000 . 6.000 4.895 4.459 5.600 . 0 0 "[ . 1 .]" 1
99 1 16 U H6 1 17 C H6 6.000 . 6.000 4.958 4.865 5.270 . 0 0 "[ . 1 .]" 1
100 1 18 C H6 1 19 U H6 7.000 . 7.000 4.579 4.468 4.765 . 0 0 "[ . 1 .]" 1
101 1 19 U H6 1 20 U H6 7.000 . 7.000 4.683 4.643 4.746 . 0 0 "[ . 1 .]" 1
102 1 21 C H6 1 22 C H6 6.000 . 6.000 5.059 4.892 5.191 . 0 0 "[ . 1 .]" 1
103 1 22 C H6 1 23 C H6 6.000 . 6.000 4.769 4.737 4.797 . 0 0 "[ . 1 .]" 1
104 1 12 U H2' 1 12 U H6 3.000 . 3.000 2.247 1.783 2.876 . 0 0 "[ . 1 .]" 1
105 1 22 C H2' 1 23 C H6 3.000 . 3.000 2.248 2.229 2.274 . 0 0 "[ . 1 .]" 1
106 1 17 C H2' 1 17 C H6 5.000 . 5.000 3.695 3.632 3.749 . 0 0 "[ . 1 .]" 1
107 1 14 U H2' 1 14 U H6 4.000 . 4.000 2.582 1.901 4.258 0.258 9 0 "[ . 1 .]" 1
108 1 12 U H5' 1 12 U H6 5.000 . 5.000 3.484 2.145 3.913 . 0 0 "[ . 1 .]" 1
109 1 12 U H5'' 1 12 U H6 5.000 . 5.000 3.049 2.153 4.397 . 0 0 "[ . 1 .]" 1
110 1 11 U H6 1 12 U H5' 7.000 . 7.000 5.662 4.916 6.212 . 0 0 "[ . 1 .]" 1
111 1 11 U H6 1 12 U H5'' 7.000 . 7.000 6.378 5.438 7.410 0.410 6 0 "[ . 1 .]" 1
112 1 12 U H5' 1 15 A H2 7.000 . 7.000 6.223 4.186 7.777 0.777 11 1 "[ . 1+ .]" 1
113 1 12 U H5'' 1 15 A H2 7.000 . 7.000 6.616 5.682 7.549 0.549 15 1 "[ . 1 +]" 1
114 1 12 U H5' 1 13 G H8 7.000 . 7.000 6.403 5.430 7.566 0.566 13 3 "[ - .* 1 + .]" 1
115 1 12 U H5'' 1 13 G H8 7.000 . 7.000 6.178 5.450 7.185 0.185 13 0 "[ . 1 .]" 1
116 1 17 C H5'' 1 17 C H6 5.000 . 5.000 4.160 3.998 4.273 . 0 0 "[ . 1 .]" 1
117 1 22 C H5' 1 22 C H6 5.000 . 5.000 3.528 3.497 3.613 . 0 0 "[ . 1 .]" 1
118 1 22 C H5'' 1 22 C H6 5.000 . 5.000 4.045 4.013 4.128 . 0 0 "[ . 1 .]" 1
119 1 1 G H2' 1 1 G H8 6.000 . 6.000 4.066 4.027 4.096 . 0 0 "[ . 1 .]" 1
120 1 1 G H3' 1 1 G H8 5.000 . 5.000 3.199 3.111 3.281 . 0 0 "[ . 1 .]" 1
121 1 1 G H4' 1 1 G H8 7.000 . 7.000 4.371 4.341 4.396 . 0 0 "[ . 1 .]" 1
122 1 1 G H5' 1 1 G H8 6.000 . 6.000 3.750 3.704 3.782 . 0 0 "[ . 1 .]" 1
123 1 1 G H5'' 1 1 G H8 6.000 . 6.000 4.468 4.386 4.534 . 0 0 "[ . 1 .]" 1
124 1 1 G H2' 1 2 G H8 5.000 . 5.000 2.248 2.227 2.260 . 0 0 "[ . 1 .]" 1
125 1 1 G H3' 1 2 G H8 7.000 . 7.000 3.357 3.303 3.389 . 0 0 "[ . 1 .]" 1
126 1 2 G H3' 1 2 G H8 7.000 . 7.000 3.178 3.092 3.233 . 0 0 "[ . 1 .]" 1
127 1 2 G H4' 1 2 G H8 6.000 . 6.000 4.459 4.441 4.468 . 0 0 "[ . 1 .]" 1
128 1 2 G H5' 1 2 G H8 7.000 . 7.000 4.051 4.016 4.069 . 0 0 "[ . 1 .]" 1
129 1 2 G H5'' 1 2 G H8 6.000 . 6.000 4.670 4.620 4.699 . 0 0 "[ . 1 .]" 1
130 1 2 G H2' 1 3 G H8 4.000 . 4.000 2.601 2.229 2.736 . 0 0 "[ . 1 .]" 1
131 1 2 G H3' 1 3 G H8 6.000 . 6.000 3.659 3.392 3.762 . 0 0 "[ . 1 .]" 1
132 1 2 G H4' 1 3 G H8 6.000 . 6.000 6.092 5.763 6.210 0.210 5 0 "[ . 1 .]" 1
133 1 3 G H2' 1 3 G H8 6.000 . 6.000 4.041 3.859 4.233 . 0 0 "[ . 1 .]" 1
134 1 3 G H3' 1 3 G H8 5.000 . 5.000 3.471 3.298 3.559 . 0 0 "[ . 1 .]" 1
135 1 3 G H4' 1 3 G H8 5.000 . 5.000 4.366 4.317 4.477 . 0 0 "[ . 1 .]" 1
136 1 3 G H5' 1 3 G H8 6.000 . 6.000 4.134 4.049 4.244 . 0 0 "[ . 1 .]" 1
137 1 3 G H5'' 1 3 G H8 6.000 . 6.000 2.940 2.418 4.721 . 0 0 "[ . 1 .]" 1
138 1 3 G H2' 1 4 G H8 4.000 . 4.000 2.521 2.244 2.593 . 0 0 "[ . 1 .]" 1
139 1 3 G H3' 1 4 G H8 5.000 . 5.000 3.773 3.381 4.103 . 0 0 "[ . 1 .]" 1
140 1 3 G H4' 1 4 G H8 6.000 . 6.000 6.174 5.821 6.277 0.277 6 0 "[ . 1 .]" 1
141 1 4 G H2' 1 4 G H8 6.000 . 6.000 4.178 3.999 4.221 . 0 0 "[ . 1 .]" 1
142 1 4 G H3' 1 4 G H8 5.000 . 5.000 3.263 2.957 3.328 . 0 0 "[ . 1 .]" 1
143 1 4 G H4' 1 4 G H8 5.000 . 5.000 4.388 4.350 4.414 . 0 0 "[ . 1 .]" 1
144 1 4 G H5'' 1 4 G H8 4.000 . 4.000 2.817 2.589 4.433 0.433 13 0 "[ . 1 .]" 1
145 1 4 G H2' 1 5 A H8 5.000 . 5.000 2.403 2.276 2.500 . 0 0 "[ . 1 .]" 1
146 1 4 G H3' 1 5 A H8 5.000 . 5.000 2.914 2.803 3.046 . 0 0 "[ . 1 .]" 1
147 1 5 A H3' 1 5 A H8 5.000 . 5.000 3.006 2.941 3.043 . 0 0 "[ . 1 .]" 1
148 1 5 A H4' 1 5 A H8 5.000 . 5.000 4.351 4.282 4.392 . 0 0 "[ . 1 .]" 1
149 1 5 A H5' 1 5 A H8 6.000 . 6.000 3.781 3.629 3.888 . 0 0 "[ . 1 .]" 1
150 1 5 A H5'' 1 5 A H8 5.000 . 5.000 4.402 4.243 4.497 . 0 0 "[ . 1 .]" 1
151 1 5 A H2' 1 6 G H8 4.000 . 4.000 2.271 2.111 2.486 . 0 0 "[ . 1 .]" 1
152 1 5 A H3' 1 6 G H8 6.000 . 6.000 3.225 3.179 3.274 . 0 0 "[ . 1 .]" 1
153 1 5 A H4' 1 6 G H8 7.000 . 7.000 5.700 5.623 5.803 . 0 0 "[ . 1 .]" 1
154 1 6 G H2' 1 6 G H8 4.000 . 4.000 3.207 2.865 3.684 . 0 0 "[ . 1 .]" 1
155 1 6 G H3' 1 6 G H8 6.000 . 6.000 3.774 3.328 4.269 . 0 0 "[ . 1 .]" 1
156 1 6 G H4' 1 6 G H8 6.000 . 6.000 4.581 4.438 4.663 . 0 0 "[ . 1 .]" 1
157 1 6 G H5' 1 6 G H8 7.000 . 7.000 3.915 3.828 3.973 . 0 0 "[ . 1 .]" 1
158 1 6 G H5'' 1 6 G H8 7.000 . 7.000 4.654 4.555 4.719 . 0 0 "[ . 1 .]" 1
159 1 6 G H2' 1 7 U H6 5.000 . 5.000 3.986 3.287 5.138 0.138 5 0 "[ . 1 .]" 1
160 1 7 U H2' 1 7 U H6 5.000 . 5.000 2.981 2.576 4.059 . 0 0 "[ . 1 .]" 1
161 1 7 U H3' 1 7 U H6 4.000 . 4.000 2.630 2.201 3.684 . 0 0 "[ . 1 .]" 1
162 1 7 U H4' 1 7 U H6 6.000 . 6.000 4.083 4.026 4.271 . 0 0 "[ . 1 .]" 1
163 1 7 U H5'' 1 7 U H6 6.000 . 6.000 3.358 2.365 3.858 . 0 0 "[ . 1 .]" 1
164 1 6 G H2' 1 8 G H8 6.000 . 6.000 6.146 5.923 6.339 0.339 6 0 "[ . 1 .]" 1
165 1 7 U H2' 1 8 G H8 6.000 . 6.000 2.711 2.112 3.964 . 0 0 "[ . 1 .]" 1
166 1 7 U H3' 1 8 G H8 6.000 . 6.000 3.762 2.472 4.314 . 0 0 "[ . 1 .]" 1
167 1 7 U H4' 1 8 G H8 7.000 . 7.000 5.864 4.875 6.470 . 0 0 "[ . 1 .]" 1
168 1 8 G H2' 1 8 G H8 5.000 . 5.000 3.914 3.864 3.987 . 0 0 "[ . 1 .]" 1
169 1 8 G H3' 1 8 G H8 5.000 . 5.000 3.322 3.220 3.574 . 0 0 "[ . 1 .]" 1
170 1 8 G H4' 1 8 G H8 6.000 . 6.000 4.492 4.464 4.522 . 0 0 "[ . 1 .]" 1
171 1 8 G H5' 1 8 G H8 5.000 . 5.000 4.421 3.809 4.649 . 0 0 "[ . 1 .]" 1
172 1 8 G H5'' 1 8 G H8 5.000 . 5.000 3.388 3.001 4.825 . 0 0 "[ . 1 .]" 1
173 1 8 G H2' 1 9 G H8 3.000 . 3.000 2.141 2.070 2.192 . 0 0 "[ . 1 .]" 1
174 1 8 G H3' 1 9 G H8 5.000 . 5.000 3.667 3.593 3.842 . 0 0 "[ . 1 .]" 1
175 1 8 G H4' 1 9 G H8 6.000 . 6.000 5.819 5.729 5.884 . 0 0 "[ . 1 .]" 1
176 1 9 G H2' 1 9 G H8 5.000 . 5.000 3.829 3.776 3.882 . 0 0 "[ . 1 .]" 1
177 1 9 G H3' 1 9 G H8 4.000 . 4.000 3.017 2.977 3.092 . 0 0 "[ . 1 .]" 1
178 1 9 G H4' 1 9 G H8 5.000 . 5.000 4.475 4.441 4.508 . 0 0 "[ . 1 .]" 1
179 1 9 G H5' 1 9 G H8 5.000 . 5.000 4.079 3.929 4.152 . 0 0 "[ . 1 .]" 1
180 1 9 G H5'' 1 9 G H8 5.000 . 5.000 4.733 4.623 4.827 . 0 0 "[ . 1 .]" 1
181 1 9 G H2' 1 10 U H6 4.000 . 4.000 2.171 2.074 2.225 . 0 0 "[ . 1 .]" 1
182 1 9 G H3' 1 10 U H6 4.000 . 4.000 3.312 3.117 3.465 . 0 0 "[ . 1 .]" 1
183 1 9 G H4' 1 10 U H6 6.000 . 6.000 5.598 5.461 5.676 . 0 0 "[ . 1 .]" 1
184 1 10 U H2' 1 10 U H6 4.000 . 4.000 3.475 3.393 3.647 . 0 0 "[ . 1 .]" 1
185 1 10 U H3' 1 10 U H6 4.000 . 4.000 2.682 2.474 2.832 . 0 0 "[ . 1 .]" 1
186 1 10 U H4' 1 10 U H6 5.000 . 5.000 4.057 4.002 4.098 . 0 0 "[ . 1 .]" 1
187 1 10 U H5' 1 10 U H6 5.000 . 5.000 3.599 3.500 3.648 . 0 0 "[ . 1 .]" 1
188 1 10 U H5'' 1 10 U H6 5.000 . 5.000 4.134 4.002 4.261 . 0 0 "[ . 1 .]" 1
189 1 10 U H6 1 11 U Q5' 7.000 . 7.000 5.558 4.550 6.008 . 0 0 "[ . 1 .]" 1
190 1 10 U H2' 1 11 U H6 4.000 . 4.000 2.588 2.359 3.393 . 0 0 "[ . 1 .]" 1
191 1 10 U H3' 1 11 U H6 5.000 . 5.000 3.486 2.781 5.244 0.244 3 0 "[ . 1 .]" 1
192 1 10 U H4' 1 11 U H6 7.000 . 7.000 5.489 4.650 6.670 . 0 0 "[ . 1 .]" 1
193 1 11 U H2' 1 11 U H6 4.000 . 4.000 2.271 1.550 3.010 . 0 0 "[ . 1 .]" 1
194 1 11 U H3' 1 11 U H6 4.000 . 4.000 3.787 3.473 4.324 0.324 2 0 "[ . 1 .]" 1
195 1 11 U H4' 1 11 U H6 5.000 . 5.000 4.456 4.112 4.961 . 0 0 "[ . 1 .]" 1
196 1 11 U Q5' 1 11 U H6 4.000 . 4.000 3.221 2.263 3.623 . 0 0 "[ . 1 .]" 1
197 1 11 U H2' 1 12 U H6 5.000 . 5.000 4.538 2.729 5.693 0.693 10 6 "[ . **+ - **]" 1
198 1 11 U H4' 1 12 U H6 6.000 . 6.000 4.357 3.319 5.537 . 0 0 "[ . 1 .]" 1
199 1 12 U H3' 1 12 U H6 4.000 . 4.000 3.825 2.874 4.187 0.187 4 0 "[ . 1 .]" 1
200 1 12 U H4' 1 12 U H6 5.000 . 5.000 4.342 3.984 4.500 . 0 0 "[ . 1 .]" 1
201 1 12 U H4' 1 13 G H8 7.000 . 7.000 5.159 3.300 5.900 . 0 0 "[ . 1 .]" 1
202 1 13 G H2' 1 13 G H8 4.000 . 4.000 2.718 2.159 3.107 . 0 0 "[ . 1 .]" 1
203 1 13 G H3' 1 13 G H8 4.000 . 4.000 4.246 3.310 4.665 0.665 6 6 "[ * .+ **- * .]" 1
204 1 13 G H4' 1 13 G H8 6.000 . 6.000 4.624 4.150 5.534 . 0 0 "[ . 1 .]" 1
205 1 13 G Q5' 1 13 G H8 6.000 . 6.000 3.311 2.198 4.430 . 0 0 "[ . 1 .]" 1
206 1 13 G H3' 1 14 U H6 7.000 . 7.000 4.565 2.430 6.472 . 0 0 "[ . 1 .]" 1
207 1 13 G H4' 1 14 U H6 7.000 . 7.000 3.540 2.262 5.452 . 0 0 "[ . 1 .]" 1
208 1 14 U H3' 1 14 U H6 4.000 . 4.000 3.165 2.119 3.911 . 0 0 "[ . 1 .]" 1
209 1 14 U H5' 1 14 U H6 6.000 . 6.000 3.965 3.513 4.437 . 0 0 "[ . 1 .]" 1
210 1 14 U H5'' 1 14 U H6 6.000 . 6.000 4.358 3.225 4.937 . 0 0 "[ . 1 .]" 1
211 1 12 U H2' 1 15 A H2 7.000 . 7.000 6.122 4.282 7.670 0.670 13 2 "[ - 1 + .]" 1
212 1 13 G H2' 1 15 A H8 7.000 . 7.000 7.277 5.605 8.095 1.095 13 5 "[* . *1 +-*]" 1
213 1 13 G H3' 1 15 A H8 7.000 . 7.000 5.423 4.459 6.712 . 0 0 "[ . 1 .]" 1
214 1 13 G H4' 1 15 A H8 6.000 . 6.000 5.822 3.859 7.343 1.343 11 2 "[ . 1+- .]" 1
215 1 14 U H2' 1 15 A H8 6.000 . 6.000 4.655 2.063 5.817 . 0 0 "[ . 1 .]" 1
216 1 14 U H3' 1 15 A H8 4.000 . 4.000 3.681 2.400 4.664 0.664 5 1 "[ + 1 .]" 1
217 1 14 U H4' 1 15 A H8 6.000 . 6.000 3.496 1.798 5.580 . 0 0 "[ . 1 .]" 1
218 1 14 U H5' 1 15 A H8 6.000 . 6.000 4.687 3.445 6.535 0.535 3 1 "[ + . 1 .]" 1
219 1 14 U H5'' 1 15 A H8 6.000 . 6.000 3.991 2.638 5.891 . 0 0 "[ . 1 .]" 1
220 1 15 A H2' 1 15 A H8 5.000 . 5.000 3.984 3.823 4.198 . 0 0 "[ . 1 .]" 1
221 1 15 A H3' 1 15 A H8 6.000 . 6.000 3.025 2.586 3.537 . 0 0 "[ . 1 .]" 1
222 1 15 A H4' 1 15 A H8 5.000 . 5.000 4.354 4.224 4.471 . 0 0 "[ . 1 .]" 1
223 1 15 A H5' 1 15 A H8 5.000 . 5.000 3.822 3.552 4.111 . 0 0 "[ . 1 .]" 1
224 1 15 A H5'' 1 15 A H8 5.000 . 5.000 4.414 4.040 4.761 . 0 0 "[ . 1 .]" 1
225 1 15 A H2 1 16 U H2' 7.000 . 7.000 5.937 4.967 6.318 . 0 0 "[ . 1 .]" 1
226 1 15 A H2' 1 16 U H6 4.000 . 4.000 2.146 2.075 2.256 . 0 0 "[ . 1 .]" 1
227 1 15 A H3' 1 16 U H6 6.000 . 6.000 2.973 2.725 3.145 . 0 0 "[ . 1 .]" 1
228 1 15 A H4' 1 16 U H6 6.000 . 6.000 5.412 5.315 5.484 . 0 0 "[ . 1 .]" 1
229 1 16 U H2' 1 16 U H6 5.000 . 5.000 3.759 3.714 3.808 . 0 0 "[ . 1 .]" 1
230 1 16 U H3' 1 16 U H6 4.000 . 4.000 2.561 2.530 2.611 . 0 0 "[ . 1 .]" 1
231 1 16 U H4' 1 16 U H6 5.000 . 5.000 3.895 3.809 3.955 . 0 0 "[ . 1 .]" 1
232 1 16 U H5' 1 16 U H6 6.000 . 6.000 3.384 3.216 3.509 . 0 0 "[ . 1 .]" 1
233 1 16 U H5'' 1 16 U H6 6.000 . 6.000 3.862 3.667 4.007 . 0 0 "[ . 1 .]" 1
234 1 16 U H2' 1 17 C H6 4.000 . 4.000 2.237 2.164 2.349 . 0 0 "[ . 1 .]" 1
235 1 16 U H3' 1 17 C H6 5.000 . 5.000 3.420 3.228 3.592 . 0 0 "[ . 1 .]" 1
236 1 16 U H4' 1 17 C H6 7.000 . 7.000 5.721 5.604 5.788 . 0 0 "[ . 1 .]" 1
237 1 17 C H3' 1 17 C H6 4.000 . 4.000 2.687 2.660 2.727 . 0 0 "[ . 1 .]" 1
238 1 17 C H4' 1 17 C H6 5.000 . 5.000 4.058 4.004 4.096 . 0 0 "[ . 1 .]" 1
239 1 17 C H5' 1 17 C H6 5.000 . 5.000 3.755 3.612 3.857 . 0 0 "[ . 1 .]" 1
240 1 17 C H2' 1 18 C H6 4.000 . 4.000 2.682 2.210 3.320 . 0 0 "[ . 1 .]" 1
241 1 17 C H3' 1 18 C H6 5.000 . 5.000 3.236 2.894 3.717 . 0 0 "[ . 1 .]" 1
242 1 18 C H2' 1 18 C H6 7.000 . 7.000 3.803 3.725 3.930 . 0 0 "[ . 1 .]" 1
243 1 18 C H3' 1 18 C H6 6.000 . 6.000 2.730 2.611 2.928 . 0 0 "[ . 1 .]" 1
244 1 18 C H4' 1 18 C H6 6.000 . 6.000 3.958 3.892 4.021 . 0 0 "[ . 1 .]" 1
245 1 18 C H5' 1 18 C H6 6.000 . 6.000 3.567 3.467 3.687 . 0 0 "[ . 1 .]" 1
246 1 18 C H5'' 1 18 C H6 6.000 . 6.000 3.256 2.009 4.122 . 0 0 "[ . 1 .]" 1
247 1 18 C H2' 1 19 U H6 4.000 . 4.000 2.016 1.957 2.088 . 0 0 "[ . 1 .]" 1
248 1 18 C H3' 1 19 U H6 5.000 . 5.000 2.982 2.808 3.100 . 0 0 "[ . 1 .]" 1
249 1 18 C H4' 1 19 U H6 5.000 . 5.000 5.424 5.367 5.464 0.464 11 0 "[ . 1 .]" 1
250 1 19 U H2' 1 19 U H6 7.000 . 7.000 3.721 3.701 3.742 . 0 0 "[ . 1 .]" 1
251 1 19 U H3' 1 19 U H6 5.000 . 5.000 2.727 2.676 2.749 . 0 0 "[ . 1 .]" 1
252 1 19 U H4' 1 19 U H6 5.000 . 5.000 4.072 4.031 4.097 . 0 0 "[ . 1 .]" 1
253 1 19 U H5' 1 19 U H6 5.000 . 5.000 3.648 3.511 3.731 . 0 0 "[ . 1 .]" 1
254 1 19 U H5'' 1 19 U H6 5.000 . 5.000 4.203 4.114 4.266 . 0 0 "[ . 1 .]" 1
255 1 19 U H2' 1 20 U H6 4.000 . 4.000 2.211 2.158 2.239 . 0 0 "[ . 1 .]" 1
256 1 19 U H3' 1 20 U H6 5.000 . 5.000 3.155 3.072 3.221 . 0 0 "[ . 1 .]" 1
257 1 20 U H2' 1 20 U H6 6.000 . 6.000 3.610 3.496 3.721 . 0 0 "[ . 1 .]" 1
258 1 20 U H3' 1 20 U H6 5.000 . 5.000 2.796 2.676 2.864 . 0 0 "[ . 1 .]" 1
259 1 20 U H4' 1 20 U H6 5.000 . 5.000 4.007 3.936 4.041 . 0 0 "[ . 1 .]" 1
260 1 20 U H5' 1 20 U H6 6.000 . 6.000 3.537 3.422 3.597 . 0 0 "[ . 1 .]" 1
261 1 20 U H5'' 1 20 U H6 6.000 . 6.000 4.078 3.950 4.142 . 0 0 "[ . 1 .]" 1
262 1 20 U H2' 1 21 C H6 4.000 . 4.000 2.286 1.990 2.464 . 0 0 "[ . 1 .]" 1
263 1 20 U H3' 1 21 C H6 5.000 . 5.000 3.606 3.333 3.747 . 0 0 "[ . 1 .]" 1
264 1 20 U H4' 1 21 C H6 7.000 . 7.000 5.926 5.545 6.099 . 0 0 "[ . 1 .]" 1
265 1 21 C H2' 1 21 C H6 5.000 . 5.000 3.840 3.690 3.892 . 0 0 "[ . 1 .]" 1
266 1 21 C H3' 1 21 C H6 4.000 . 4.000 2.751 2.628 2.804 . 0 0 "[ . 1 .]" 1
267 1 21 C H4' 1 21 C H6 5.000 . 5.000 3.955 3.911 4.076 . 0 0 "[ . 1 .]" 1
268 1 21 C H5' 1 21 C H6 5.000 . 5.000 3.768 3.647 3.820 . 0 0 "[ . 1 .]" 1
269 1 21 C H5'' 1 21 C H6 5.000 . 5.000 2.594 2.154 4.252 . 0 0 "[ . 1 .]" 1
270 1 21 C H2' 1 22 C H6 3.000 . 3.000 2.097 2.035 2.119 . 0 0 "[ . 1 .]" 1
271 1 21 C H3' 1 22 C H6 5.000 . 5.000 3.330 3.260 3.493 . 0 0 "[ . 1 .]" 1
272 1 21 C H4' 1 22 C H6 6.000 . 6.000 5.590 5.569 5.617 . 0 0 "[ . 1 .]" 1
273 1 22 C H2' 1 22 C H6 5.000 . 5.000 3.774 3.740 3.792 . 0 0 "[ . 1 .]" 1
274 1 22 C H3' 1 22 C H6 5.000 . 5.000 2.604 2.573 2.620 . 0 0 "[ . 1 .]" 1
275 1 22 C H4' 1 22 C H6 5.000 . 5.000 3.976 3.966 4.001 . 0 0 "[ . 1 .]" 1
276 1 22 C H3' 1 23 C H6 4.000 . 4.000 3.306 3.279 3.365 . 0 0 "[ . 1 .]" 1
277 1 22 C H4' 1 23 C H6 7.000 . 7.000 5.688 5.669 5.709 . 0 0 "[ . 1 .]" 1
278 1 23 C H2' 1 23 C H6 4.000 . 4.000 3.607 3.563 3.640 . 0 0 "[ . 1 .]" 1
279 1 23 C H3' 1 23 C H6 3.000 . 3.000 2.774 2.693 2.839 . 0 0 "[ . 1 .]" 1
280 1 23 C H4' 1 23 C H6 4.000 . 4.000 4.101 4.077 4.124 0.124 11 0 "[ . 1 .]" 1
281 1 23 C H5' 1 23 C H6 5.000 . 5.000 3.672 3.614 3.723 . 0 0 "[ . 1 .]" 1
282 1 23 C H5'' 1 23 C H6 5.000 . 5.000 4.259 4.211 4.308 . 0 0 "[ . 1 .]" 1
283 1 12 U H4' 1 13 G H2' 7.000 . 7.000 6.554 4.749 7.791 0.791 11 1 "[ . 1+ .]" 1
284 1 12 U H4' 1 13 G Q5' 6.000 . 6.000 4.330 3.091 5.480 . 0 0 "[ . 1 .]" 1
285 1 2 G H1 1 3 G H1 6.000 . 6.000 4.094 3.933 4.188 . 0 0 "[ . 1 .]" 1
286 1 2 G H1 1 3 G H1' 5.000 . 5.000 4.948 4.821 5.126 0.126 13 0 "[ . 1 .]" 1
287 1 3 G H1 1 4 G H1 7.000 . 7.000 4.226 4.053 4.380 . 0 0 "[ . 1 .]" 1
288 1 3 G H1 1 4 G H8 6.000 . 6.000 4.751 4.623 5.170 . 0 0 "[ . 1 .]" 1
289 1 3 G H1 1 21 C H5 6.000 . 6.000 5.135 4.994 5.321 . 0 0 "[ . 1 .]" 1
290 1 3 G H1 1 22 C H6 6.000 . 6.000 5.338 5.084 5.437 . 0 0 "[ . 1 .]" 1
291 1 4 G H1 1 5 A H1' 5.000 . 5.000 4.323 4.111 4.779 . 0 0 "[ . 1 .]" 1
292 1 4 G H1 1 5 A H2 5.000 . 5.000 3.807 3.652 4.203 . 0 0 "[ . 1 .]" 1
293 1 5 A H2 1 6 G H1 5.000 . 5.000 5.053 4.926 5.210 0.210 3 0 "[ . 1 .]" 1
294 1 8 G H1 1 17 C H42 5.000 . 5.000 4.540 4.392 4.668 . 0 0 "[ . 1 .]" 1
295 1 8 G H1 1 17 C H41 5.000 . 5.000 3.175 2.968 3.343 . 0 0 "[ . 1 .]" 1
296 1 8 G H1 1 17 C H5 7.000 . 7.000 5.249 5.181 5.291 . 0 0 "[ . 1 .]" 1
297 1 8 G H1 1 18 C H41 7.000 . 7.000 5.733 4.973 6.401 . 0 0 "[ . 1 .]" 1
298 1 6 G H1 1 17 C H41 6.000 . 6.000 4.039 3.501 4.288 . 0 0 "[ . 1 .]" 1
299 1 6 G H1 1 18 C H42 4.000 . 4.000 3.863 3.720 3.977 . 0 0 "[ . 1 .]" 1
300 1 6 G H1 1 18 C H41 4.000 . 4.000 2.308 2.158 2.434 . 0 0 "[ . 1 .]" 1
301 1 6 G H1 1 18 C H5 5.000 . 5.000 5.002 4.918 5.081 0.081 12 0 "[ . 1 .]" 1
302 1 6 G H1 1 19 U H6 7.000 . 7.000 5.115 4.981 5.252 . 0 0 "[ . 1 .]" 1
303 1 5 A H2 1 19 U H3 4.000 . 4.000 2.821 2.656 2.961 . 0 0 "[ . 1 .]" 1
304 1 6 G H1 1 19 U H3 7.000 . 7.000 2.819 2.696 3.001 . 0 0 "[ . 1 .]" 1
305 1 18 C H42 1 19 U H3 7.000 . 7.000 4.730 4.621 4.877 . 0 0 "[ . 1 .]" 1
306 1 18 C H41 1 19 U H3 7.000 . 7.000 3.547 3.432 3.712 . 0 0 "[ . 1 .]" 1
307 1 3 G H1 1 20 U H3 7.000 . 7.000 4.618 4.478 4.807 . 0 0 "[ . 1 .]" 1
308 1 4 G H1 1 20 U H3 4.000 . 4.000 2.074 2.030 2.101 . 0 0 "[ . 1 .]" 1
309 1 5 A H2 1 20 U H3 5.000 . 5.000 3.861 3.699 4.039 . 0 0 "[ . 1 .]" 1
310 1 19 U H3 1 20 U H3 7.000 . 7.000 3.710 3.571 3.918 . 0 0 "[ . 1 .]" 1
311 1 3 G H1 1 21 C H41 4.000 . 4.000 2.602 2.287 3.096 . 0 0 "[ . 1 .]" 1
312 1 3 G H1 1 22 C H41 5.000 . 5.000 4.229 4.067 4.412 . 0 0 "[ . 1 .]" 1
313 1 4 G H1 1 21 C H42 5.000 . 5.000 4.753 4.503 4.877 . 0 0 "[ . 1 .]" 1
314 1 4 G H1 1 21 C H41 5.000 . 5.000 4.512 4.262 4.582 . 0 0 "[ . 1 .]" 1
315 1 4 G H1 1 21 C H5 5.000 . 5.000 4.531 4.258 4.671 . 0 0 "[ . 1 .]" 1
316 1 4 G H1 1 21 C H6 5.000 . 5.000 4.667 4.408 4.743 . 0 0 "[ . 1 .]" 1
317 1 20 U H3 1 21 C H42 6.000 . 6.000 3.398 3.294 3.687 . 0 0 "[ . 1 .]" 1
318 1 20 U H3 1 21 C H41 6.000 . 6.000 3.677 3.565 3.801 . 0 0 "[ . 1 .]" 1
319 1 20 U H3 1 21 C H5 7.000 . 7.000 3.603 3.470 3.973 . 0 0 "[ . 1 .]" 1
320 1 20 U H3 1 21 C H6 7.000 . 7.000 4.746 4.631 5.027 . 0 0 "[ . 1 .]" 1
321 1 2 G H1 1 22 C H42 4.000 . 4.000 3.990 3.832 4.092 0.092 15 0 "[ . 1 .]" 1
322 1 2 G H1 1 22 C H41 4.000 . 4.000 2.473 2.281 2.598 . 0 0 "[ . 1 .]" 1
323 1 2 G H1 1 22 C H6 7.000 . 7.000 5.730 5.713 5.759 . 0 0 "[ . 1 .]" 1
324 1 2 G H1 1 23 C H1' 5.000 . 5.000 5.133 5.063 5.230 0.230 2 0 "[ . 1 .]" 1
325 1 2 G H1 1 23 C H42 5.000 . 5.000 4.110 3.965 4.215 . 0 0 "[ . 1 .]" 1
326 1 2 G H1 1 23 C H41 7.000 . 7.000 3.708 3.574 3.804 . 0 0 "[ . 1 .]" 1
327 1 2 G H1 1 23 C H6 7.000 . 7.000 5.038 4.993 5.100 . 0 0 "[ . 1 .]" 1
328 1 11 U H1' 1 12 U H4' 7.000 . 7.000 5.257 4.405 6.705 . 0 0 "[ . 1 .]" 1
329 1 11 U H4' 1 12 U H5 5.000 . 5.000 4.121 3.049 6.031 1.031 5 2 "[ + 1 - .]" 1
330 1 11 U H4' 1 12 U H5' 7.000 . 7.000 4.921 3.579 6.288 . 0 0 "[ . 1 .]" 1
331 1 13 G H4' 1 14 U H3' 5.000 . 5.000 4.633 3.408 5.756 0.756 11 2 "[ . 1+- .]" 1
332 1 12 U H1' 1 13 G H4' 7.000 . 7.000 4.971 2.218 6.717 . 0 0 "[ . 1 .]" 1
333 1 13 G H4' 1 14 U H5 7.000 . 7.000 4.673 2.874 6.693 . 0 0 "[ . 1 .]" 1
334 1 13 G H4' 1 14 U H1' 7.000 . 7.000 5.498 3.802 7.938 0.938 12 2 "[ . 1-+ .]" 1
335 1 7 U H4' 1 8 G H4' 7.000 . 7.000 6.714 6.209 7.303 0.303 13 0 "[ . 1 .]" 1
336 1 12 U H3' 1 13 G Q5' 6.000 . 6.000 3.831 2.676 4.827 . 0 0 "[ . 1 .]" 1
337 1 13 G H3' 1 14 U H1' 7.000 . 7.000 5.951 3.333 6.760 . 0 0 "[ . 1 .]" 1
338 1 14 U H3' 1 14 U H5 5.000 . 5.000 5.412 4.435 6.168 1.168 10 7 "[* * * * +-* .]" 1
339 1 14 U H3' 1 15 A H5' 7.000 . 7.000 2.812 1.929 3.854 . 0 0 "[ . 1 .]" 1
340 1 14 U H3' 1 15 A H5'' 7.000 . 7.000 4.190 3.633 5.022 . 0 0 "[ . 1 .]" 1
341 1 11 U H3' 1 12 U H5' 6.000 . 6.000 4.417 3.356 5.076 . 0 0 "[ . 1 .]" 1
342 1 11 U H3' 1 12 U H5'' 6.000 . 6.000 4.539 3.904 5.318 . 0 0 "[ . 1 .]" 1
343 1 10 U H2' 1 11 U Q5' 5.000 . 5.000 2.695 2.098 3.360 . 0 0 "[ . 1 .]" 1
344 1 11 U H2' 1 11 U H5 5.000 . 5.000 4.308 3.975 4.728 . 0 0 "[ . 1 .]" 1
345 1 11 U H2' 1 12 U H5' 5.000 . 5.000 3.926 3.323 4.500 . 0 0 "[ . 1 .]" 1
346 1 11 U H2' 1 12 U H5'' 5.000 . 5.000 4.625 3.690 5.669 0.669 5 2 "[ + 1 - .]" 1
347 1 9 G H2' 1 10 U H1' 6.000 . 6.000 4.162 3.988 4.330 . 0 0 "[ . 1 .]" 1
348 1 9 G H2' 1 10 U H5'' 5.000 . 5.000 4.201 4.141 4.268 . 0 0 "[ . 1 .]" 1
349 1 9 G H2' 1 10 U H5' 5.000 . 5.000 2.832 2.716 2.943 . 0 0 "[ . 1 .]" 1
350 1 5 A H2' 1 6 G H1' 7.000 . 7.000 4.476 4.371 4.540 . 0 0 "[ . 1 .]" 1
351 1 10 U H3' 1 11 U H5 5.000 . 5.000 3.870 2.880 5.742 0.742 3 2 "[- + . 1 .]" 1
352 1 10 U H3' 1 11 U Q5' 6.000 . 6.000 3.700 2.773 4.151 . 0 0 "[ . 1 .]" 1
353 1 9 G H3' 1 10 U H1' 7.000 . 7.000 6.381 6.207 6.530 . 0 0 "[ . 1 .]" 1
354 1 14 U H5 1 14 U H5'' 7.000 . 7.000 6.589 5.336 7.046 0.046 2 0 "[ . 1 .]" 1
355 1 14 U H5 1 14 U H5' 7.000 . 7.000 5.972 5.385 6.522 . 0 0 "[ . 1 .]" 1
356 1 13 G Q5' 1 14 U H5 7.000 . 7.000 4.852 2.626 6.355 . 0 0 "[ . 1 .]" 1
357 1 13 G Q5' 1 15 A H1' 5.000 . 5.000 4.490 3.464 5.071 0.071 4 0 "[ . 1 .]" 1
358 1 12 U H1' 1 13 G Q5' 6.000 . 6.000 3.503 1.950 5.104 . 0 0 "[ . 1 .]" 1
359 1 7 U H5 1 7 U H5' 7.000 . 7.000 5.776 5.319 6.487 . 0 0 "[ . 1 .]" 1
360 1 7 U H5 1 7 U H5'' 7.000 . 7.000 5.388 4.491 5.924 . 0 0 "[ . 1 .]" 1
361 1 5 A H1' 1 6 G H5'' 7.000 . 7.000 6.177 5.862 6.446 . 0 0 "[ . 1 .]" 1
362 1 5 A H1' 1 6 G H5' 7.000 . 7.000 4.429 4.092 4.728 . 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 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 G 0.000 0.000 . 0 "[ . 1 .]"
1 2 G 0.000 0.000 . 0 "[ . 1 .]"
1 3 G 0.000 0.000 . 0 "[ . 1 .]"
1 4 G 0.000 0.000 . 0 "[ . 1 .]"
1 5 A 0.000 0.000 . 0 "[ . 1 .]"
1 6 G 0.000 0.000 . 0 "[ . 1 .]"
1 8 G 0.000 0.000 . 0 "[ . 1 .]"
1 9 G 0.000 0.000 . 0 "[ . 1 .]"
1 10 U 0.000 0.000 . 0 "[ . 1 .]"
1 15 A 0.000 0.000 . 0 "[ . 1 .]"
1 16 U 0.000 0.000 . 0 "[ . 1 .]"
1 17 C 0.000 0.000 . 0 "[ . 1 .]"
1 18 C 0.000 0.000 . 0 "[ . 1 .]"
1 19 U 0.000 0.000 . 0 "[ . 1 .]"
1 20 U 0.000 0.000 . 0 "[ . 1 .]"
1 21 C 0.000 0.000 . 0 "[ . 1 .]"
1 22 C 0.000 0.000 . 0 "[ . 1 .]"
1 23 C 0.000 0.000 . 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 O6 1 23 C H41 2.000 . 2.200 1.951 1.940 1.968 . 0 0 "[ . 1 .]" 2
2 1 1 G O6 1 23 C N4 2.900 2.600 3.200 2.928 2.919 2.943 . 0 0 "[ . 1 .]" 2
3 1 1 G H1 1 23 C N3 2.000 . 2.200 2.002 1.992 2.013 . 0 0 "[ . 1 .]" 2
4 1 1 G N1 1 23 C N3 2.900 2.600 3.200 2.972 2.960 3.002 . 0 0 "[ . 1 .]" 2
5 1 1 G H21 1 23 C O2 2.000 . 2.200 1.992 1.976 2.014 . 0 0 "[ . 1 .]" 2
6 1 1 G N2 1 23 C O2 2.900 2.600 3.200 2.935 2.923 2.954 . 0 0 "[ . 1 .]" 2
7 1 2 G O6 1 22 C H41 2.000 . 2.200 2.004 1.977 2.023 . 0 0 "[ . 1 .]" 2
8 1 2 G O6 1 22 C N4 2.900 2.600 3.200 2.977 2.968 2.985 . 0 0 "[ . 1 .]" 2
9 1 2 G H1 1 22 C N3 2.000 . 2.200 1.898 1.883 1.931 . 0 0 "[ . 1 .]" 2
10 1 2 G N1 1 22 C N3 2.900 2.600 3.200 2.903 2.887 2.938 . 0 0 "[ . 1 .]" 2
11 1 2 G H21 1 22 C O2 2.000 . 2.200 2.009 1.991 2.024 . 0 0 "[ . 1 .]" 2
12 1 2 G N2 1 22 C O2 2.900 2.600 3.200 2.986 2.958 3.001 . 0 0 "[ . 1 .]" 2
13 1 3 G O6 1 21 C H41 2.000 . 2.200 1.953 1.938 1.974 . 0 0 "[ . 1 .]" 2
14 1 3 G O6 1 21 C N4 2.900 2.600 3.200 2.946 2.924 2.978 . 0 0 "[ . 1 .]" 2
15 1 3 G H1 1 21 C N3 2.000 . 2.200 1.991 1.965 2.001 . 0 0 "[ . 1 .]" 2
16 1 3 G N1 1 21 C N3 2.900 2.600 3.200 2.982 2.952 2.996 . 0 0 "[ . 1 .]" 2
17 1 3 G H21 1 21 C O2 2.000 . 2.200 1.937 1.915 1.948 . 0 0 "[ . 1 .]" 2
18 1 3 G N2 1 21 C O2 2.900 2.600 3.200 2.931 2.903 2.944 . 0 0 "[ . 1 .]" 2
19 1 4 G O6 1 20 U H3 2.000 . 2.200 2.008 1.993 2.031 . 0 0 "[ . 1 .]" 2
20 1 4 G O6 1 20 U N3 2.900 2.600 3.200 3.009 2.995 3.036 . 0 0 "[ . 1 .]" 2
21 1 4 G H1 1 20 U O2 2.000 . 2.200 1.975 1.954 2.006 . 0 0 "[ . 1 .]" 2
22 1 4 G N1 1 20 U O2 2.900 2.600 3.200 2.950 2.904 2.974 . 0 0 "[ . 1 .]" 2
23 1 5 A H61 1 19 U O4 2.000 . 2.200 2.009 1.995 2.030 . 0 0 "[ . 1 .]" 2
24 1 5 A N6 1 19 U O4 2.900 2.600 3.200 2.990 2.963 3.015 . 0 0 "[ . 1 .]" 2
25 1 5 A N1 1 19 U H3 2.000 . 2.200 1.917 1.889 1.932 . 0 0 "[ . 1 .]" 2
26 1 5 A N1 1 19 U N3 2.900 2.600 3.200 2.878 2.854 2.906 . 0 0 "[ . 1 .]" 2
27 1 6 G O6 1 18 C H41 2.000 . 2.200 1.928 1.904 1.966 . 0 0 "[ . 1 .]" 2
28 1 6 G O6 1 18 C N4 2.900 2.600 3.200 2.930 2.906 2.958 . 0 0 "[ . 1 .]" 2
29 1 6 G H1 1 18 C N3 2.000 . 2.200 2.005 1.946 2.028 . 0 0 "[ . 1 .]" 2
30 1 6 G N1 1 18 C N3 2.900 2.600 3.200 3.003 2.957 3.024 . 0 0 "[ . 1 .]" 2
31 1 6 G H21 1 18 C O2 2.000 . 2.200 2.053 2.019 2.078 . 0 0 "[ . 1 .]" 2
32 1 6 G N2 1 18 C O2 2.900 2.600 3.200 3.019 2.995 3.047 . 0 0 "[ . 1 .]" 2
33 1 8 G O6 1 17 C H41 2.000 . 2.200 2.047 2.029 2.069 . 0 0 "[ . 1 .]" 2
34 1 8 G O6 1 17 C N4 2.900 2.600 3.200 2.978 2.937 2.999 . 0 0 "[ . 1 .]" 2
35 1 8 G H1 1 17 C N3 2.000 . 2.200 1.963 1.932 1.999 . 0 0 "[ . 1 .]" 2
36 1 8 G N1 1 17 C N3 2.900 2.600 3.200 2.901 2.879 2.932 . 0 0 "[ . 1 .]" 2
37 1 8 G H21 1 17 C O2 2.000 . 2.200 2.025 1.992 2.054 . 0 0 "[ . 1 .]" 2
38 1 8 G N2 1 17 C O2 2.900 2.600 3.200 2.884 2.838 2.943 . 0 0 "[ . 1 .]" 2
39 1 9 G O6 1 16 U H3 2.000 . 2.200 1.977 1.954 2.006 . 0 0 "[ . 1 .]" 2
40 1 9 G O6 1 16 U N3 2.900 2.600 3.200 2.978 2.894 3.011 . 0 0 "[ . 1 .]" 2
41 1 9 G H1 1 16 U O2 2.000 . 2.200 1.927 1.899 1.980 . 0 0 "[ . 1 .]" 2
42 1 9 G N1 1 16 U O2 2.900 2.600 3.200 2.865 2.816 2.924 . 0 0 "[ . 1 .]" 2
43 1 10 U O4 1 15 A H61 2.000 . 2.200 1.966 1.918 2.011 . 0 0 "[ . 1 .]" 2
44 1 10 U O4 1 15 A N6 2.900 2.600 3.200 2.960 2.899 3.012 . 0 0 "[ . 1 .]" 2
45 1 10 U H3 1 15 A N1 2.000 . 2.200 2.074 1.992 2.193 . 0 0 "[ . 1 .]" 2
46 1 10 U N3 1 15 A N1 2.900 2.600 3.200 2.942 2.869 3.016 . 0 0 "[ . 1 .]" 2
stop_
save_
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