NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
547714 |
2lwk   |
18633 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lwk
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 404
_Distance_constraint_stats_list.Viol_count 1230
_Distance_constraint_stats_list.Viol_total 13521.271
_Distance_constraint_stats_list.Viol_max 2.069
_Distance_constraint_stats_list.Viol_rms 0.3685
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1307
_Distance_constraint_stats_list.Viol_average_violations_only 0.6871
_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 17.635 0.972 13 16 [************+*-*]
1 2 A 26.921 1.753 11 16 [**********+***-*]
1 3 G 43.288 1.753 11 16 [**-*******+*****]
1 4 U 46.252 1.598 15 16 [***-**********+*]
1 5 A 33.181 1.598 15 16 [************-*+*]
1 6 G 37.943 1.790 8 16 [*-*****+********]
1 7 A 61.023 1.790 8 16 [-******+********]
1 8 A 54.234 1.742 10 16 [*********+-*****]
1 9 A 21.272 1.624 7 15 "[******+***-** **]"
1 10 C 2.447 0.347 15 0 "[ . 1 . ]"
1 11 A 4.719 0.392 2 0 "[ . 1 . ]"
1 12 A 0.212 0.038 7 0 "[ . 1 . ]"
1 13 G 35.700 1.794 13 16 [******-*****+***]
1 14 G 79.251 1.992 14 16 [********-****+**]
1 15 C 87.688 1.992 14 16 [********-****+**]
1 16 U 146.386 1.963 11 16 [*********-+*****]
1 17 U 14.052 0.687 8 11 "[* -.**+** ****]"
1 18 C 104.209 1.689 11 16 [***-******+*****]
1 19 G 33.682 1.041 9 13 "[** -. **+*******]"
1 20 G 65.303 1.922 14 16 [***-*********+**]
1 21 C 85.075 1.922 14 16 [***-*********+**]
1 22 C 48.701 1.873 7 16 [******+**-******]
1 23 U 20.620 0.881 6 8 "[* *+ - * ***. ]"
1 24 G 2.539 0.535 10 1 "[ . + . ]"
1 25 C 9.642 0.374 9 0 "[ . 1 . ]"
1 26 U 49.591 2.069 15 16 [**********-***+*]
1 27 U 96.071 2.069 15 16 [***-**********+*]
1 28 U 67.719 1.994 7 16 [***-**+*********]
1 29 U 43.497 1.687 1 16 [+***********-***]
1 30 G 68.211 1.973 1 16 [+***********-***]
1 31 C 69.593 1.973 1 16 [+***********-***]
1 32 U 25.163 1.414 5 16 [****+*******-***]
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 3.500 5.500 3.833 3.806 3.849 . 0 0 "[ . 1 . ]" 1
2 1 1 G H1' 1 2 A H8 5.000 3.000 7.000 5.999 4.814 6.915 . 0 0 "[ . 1 . ]" 1
3 1 1 G H1' 1 1 G HO2' 2.500 . 3.200 2.446 1.929 3.376 0.176 7 0 "[ . 1 . ]" 1
4 1 1 G H8 1 1 G HO2' 3.500 2.500 4.500 5.259 5.115 5.472 0.972 13 16 [**********-*+***] 1
5 1 1 G HO2' 1 2 A H8 3.500 2.500 4.500 4.538 3.267 5.374 0.874 16 6 "[* . 1** *-+]" 1
6 1 1 G H1' 1 1 G H3' 4.000 3.000 5.000 3.847 3.833 3.862 . 0 0 "[ . 1 . ]" 1
7 1 1 G H3' 1 1 G H8 3.500 2.500 4.500 2.926 2.807 3.003 . 0 0 "[ . 1 . ]" 1
8 1 1 G H3' 1 2 A H8 4.500 3.500 5.500 4.701 3.420 5.507 0.080 15 0 "[ . 1 . ]" 1
9 1 2 A H1' 1 3 G H8 5.000 3.000 7.000 4.748 4.726 4.770 . 0 0 "[ . 1 . ]" 1
10 1 2 A H1' 1 2 A H8 4.500 3.500 5.500 3.831 3.822 3.838 . 0 0 "[ . 1 . ]" 1
11 1 2 A H1' 1 2 A HO2' 2.500 . 3.200 2.440 1.937 3.152 . 0 0 "[ . 1 . ]" 1
12 1 2 A H8 1 2 A HO2' 4.500 3.500 5.500 5.267 5.128 5.489 . 0 0 "[ . 1 . ]" 1
13 1 2 A HO2' 1 3 G H8 2.500 . 3.200 4.548 3.573 4.953 1.753 11 15 "[ *-*******+*****]" 1
14 1 2 A H3' 1 2 A H8 3.500 2.500 4.500 2.879 2.767 2.964 . 0 0 "[ . 1 . ]" 1
15 1 2 A H1' 1 2 A H3' 4.000 3.000 5.000 3.826 3.817 3.832 . 0 0 "[ . 1 . ]" 1
16 1 2 A H3' 1 3 G H8 4.500 3.500 5.500 3.527 3.453 3.574 0.047 16 0 "[ . 1 . ]" 1
17 1 2 A H1' 1 2 A H4' 3.500 2.500 4.500 3.273 3.170 3.408 . 0 0 "[ . 1 . ]" 1
18 1 2 A H4' 1 2 A H8 4.500 3.500 5.500 4.458 4.344 4.538 . 0 0 "[ . 1 . ]" 1
19 1 3 G H1' 1 3 G H8 4.500 3.500 5.500 3.822 3.821 3.824 . 0 0 "[ . 1 . ]" 1
20 1 2 A H2 1 3 G H1' 4.500 3.500 5.500 3.833 3.729 3.915 . 0 0 "[ . 1 . ]" 1
21 1 3 G H1' 1 4 U H6 4.500 3.500 5.500 4.784 4.761 4.804 . 0 0 "[ . 1 . ]" 1
22 1 3 G H1' 1 3 G HO2' 2.500 . 3.200 2.486 1.924 3.134 . 0 0 "[ . 1 . ]" 1
23 1 3 G HO2' 1 4 U H6 2.500 . 3.200 4.409 3.609 4.736 1.536 15 14 "[-********1* **+*]" 1
24 1 3 G H8 1 3 G HO2' 4.500 3.500 5.500 5.279 5.151 5.453 . 0 0 "[ . 1 . ]" 1
25 1 3 G H1' 1 3 G H3' 4.000 3.000 5.000 3.820 3.818 3.822 . 0 0 "[ . 1 . ]" 1
26 1 3 G H3' 1 4 U H5 3.500 2.500 4.500 4.032 3.962 4.096 . 0 0 "[ . 1 . ]" 1
27 1 3 G H3' 1 4 U H6 3.500 2.500 4.500 3.426 3.396 3.459 . 0 0 "[ . 1 . ]" 1
28 1 3 G H5' 1 3 G H8 4.000 3.000 5.000 4.115 4.067 4.148 . 0 0 "[ . 1 . ]" 1
29 1 4 U H1' 1 4 U H6 3.500 2.500 4.500 3.632 3.631 3.634 . 0 0 "[ . 1 . ]" 1
30 1 4 U H1' 1 5 A H8 5.000 3.000 7.000 4.654 4.598 4.695 . 0 0 "[ . 1 . ]" 1
31 1 4 U H1' 1 4 U HO2' 2.500 . 3.200 2.443 1.947 3.103 . 0 0 "[ . 1 . ]" 1
32 1 4 U H6 1 4 U HO2' 3.500 2.500 4.500 4.962 4.840 5.119 0.619 13 6 "[ -.** *1* + . ]" 1
33 1 4 U HO2' 1 5 A H8 2.500 . 3.200 4.419 3.821 4.798 1.598 15 16 [************-*+*] 1
34 1 4 U H3' 1 4 U H6 3.500 . 4.500 2.518 2.496 2.536 . 0 0 "[ . 1 . ]" 1
35 1 4 U H1' 1 4 U H3' 4.000 3.000 5.000 3.806 3.802 3.809 . 0 0 "[ . 1 . ]" 1
36 1 4 U H3' 1 5 A H8 3.000 . 4.000 3.631 3.570 3.687 . 0 0 "[ . 1 . ]" 1
37 1 4 U H5 1 4 U H6 2.500 . 3.200 2.424 2.424 2.425 . 0 0 "[ . 1 . ]" 1
38 1 5 A H1' 1 5 A H8 3.500 2.500 4.500 3.841 3.837 3.845 . 0 0 "[ . 1 . ]" 1
39 1 5 A H1' 1 6 G H8 5.000 3.000 7.000 4.658 4.633 4.681 . 0 0 "[ . 1 . ]" 1
40 1 5 A H1' 1 5 A HO2' 2.500 . 3.200 2.335 1.950 2.820 . 0 0 "[ . 1 . ]" 1
41 1 5 A H8 1 5 A HO2' 4.500 3.500 5.500 5.222 5.130 5.442 . 0 0 "[ . 1 . ]" 1
42 1 5 A HO2' 1 6 G H8 2.500 . 3.700 4.555 3.708 4.934 1.234 12 12 "[*-* *** **+* **]" 1
43 1 5 A H3' 1 5 A H8 3.500 2.500 4.500 2.759 2.719 2.808 . 0 0 "[ . 1 . ]" 1
44 1 5 A H1' 1 5 A H3' 4.000 3.000 5.000 3.789 3.786 3.792 . 0 0 "[ . 1 . ]" 1
45 1 5 A H1' 1 5 A H4' 3.500 2.500 4.500 3.184 3.156 3.210 . 0 0 "[ . 1 . ]" 1
46 1 6 G H1' 1 6 G H8 4.000 3.000 5.000 3.831 3.831 3.833 . 0 0 "[ . 1 . ]" 1
47 1 6 G H1' 1 7 A H8 5.000 4.000 6.000 4.954 4.921 4.971 . 0 0 "[ . 1 . ]" 1
48 1 5 A H2 1 6 G H1' 4.500 3.500 5.500 4.114 4.034 4.179 . 0 0 "[ . 1 . ]" 1
49 1 6 G H1' 1 6 G HO2' 2.500 . 3.200 2.215 1.919 2.578 . 0 0 "[ . 1 . ]" 1
50 1 6 G HO2' 1 7 A H8 2.500 . 3.200 4.717 4.051 4.990 1.790 8 16 [****-**+********] 1
51 1 6 G H8 1 6 G HO2' 4.500 3.500 5.500 5.234 5.173 5.335 . 0 0 "[ . 1 . ]" 1
52 1 6 G H3' 1 6 G H8 3.500 2.500 4.500 3.053 3.041 3.067 . 0 0 "[ . 1 . ]" 1
53 1 6 G H3' 1 7 A H8 3.000 . 4.000 3.438 3.406 3.481 . 0 0 "[ . 1 . ]" 1
54 1 6 G H4' 1 6 G H8 4.500 3.500 5.500 4.595 4.585 4.610 . 0 0 "[ . 1 . ]" 1
55 1 6 G H5' 1 6 G H8 4.000 3.000 5.000 4.285 4.264 4.313 . 0 0 "[ . 1 . ]" 1
56 1 7 A H1' 1 7 A H8 3.500 2.500 4.500 3.825 3.822 3.828 . 0 0 "[ . 1 . ]" 1
57 1 7 A H1' 1 8 A H8 5.000 4.000 6.000 4.668 4.650 4.687 . 0 0 "[ . 1 . ]" 1
58 1 7 A H1' 1 7 A HO2' 2.500 . 3.200 2.198 1.925 2.903 . 0 0 "[ . 1 . ]" 1
59 1 7 A H8 1 7 A HO2' 3.500 2.500 4.500 5.260 5.183 5.386 0.886 15 16 [-*************+*] 1
60 1 7 A HO2' 1 8 A H8 2.500 . 3.200 4.576 4.006 4.942 1.742 10 16 [*********+****-*] 1
61 1 7 A H3' 1 7 A H8 3.500 2.500 4.500 3.037 3.013 3.067 . 0 0 "[ . 1 . ]" 1
62 1 7 A H3' 1 8 A H8 4.500 3.500 5.500 3.446 3.411 3.490 0.089 16 0 "[ . 1 . ]" 1
63 1 8 A H1' 1 8 A HO2' 2.500 . 3.200 2.256 1.902 2.917 . 0 0 "[ . 1 . ]" 1
64 1 8 A H8 1 8 A HO2' 3.500 2.500 4.500 5.269 5.174 5.449 0.949 14 16 [****-********+**] 1
65 1 8 A HO2' 1 9 A H8 2.500 . 3.200 4.391 3.607 4.824 1.624 7 15 "[******+***-** **]" 1
66 1 8 A H1' 1 8 A H3' 4.000 3.000 5.000 3.872 3.870 3.873 . 0 0 "[ . 1 . ]" 1
67 1 8 A H3' 1 8 A H8 3.500 2.500 4.500 3.125 3.107 3.146 . 0 0 "[ . 1 . ]" 1
68 1 8 A H4' 1 8 A H8 5.000 3.000 7.000 4.569 4.557 4.579 . 0 0 "[ . 1 . ]" 1
69 1 8 A H1' 1 8 A H4' 3.500 2.500 4.500 3.077 3.060 3.096 . 0 0 "[ . 1 . ]" 1
70 1 8 A H1' 1 8 A H5' 4.500 3.500 5.500 4.608 4.600 4.617 . 0 0 "[ . 1 . ]" 1
71 1 8 A H5' 1 8 A H8 4.500 3.500 5.500 4.159 4.132 4.185 . 0 0 "[ . 1 . ]" 1
72 1 9 A H1' 1 10 C H6 5.000 3.000 7.000 4.837 4.800 4.894 . 0 0 "[ . 1 . ]" 1
73 1 9 A H1' 1 9 A HO2' 2.500 . 3.200 2.406 1.930 3.023 . 0 0 "[ . 1 . ]" 1
74 1 9 A HO2' 1 10 C H6 3.500 2.500 4.500 4.412 3.442 4.847 0.347 15 0 "[ . 1 . ]" 1
75 1 9 A H1' 1 9 A H3' 4.000 3.000 5.000 3.851 3.846 3.856 . 0 0 "[ . 1 . ]" 1
76 1 9 A H2 1 10 C H1' 5.000 4.000 6.000 3.968 3.922 4.010 0.078 10 0 "[ . 1 . ]" 1
77 1 10 C H1' 1 10 C HO2' 2.500 . 3.200 2.690 1.942 3.352 0.152 2 0 "[ . 1 . ]" 1
78 1 10 C H1' 1 10 C H3' 4.500 3.500 5.500 3.841 3.830 3.853 . 0 0 "[ . 1 . ]" 1
79 1 10 C H3' 1 10 C H5 4.500 3.500 5.500 4.785 4.726 4.837 . 0 0 "[ . 1 . ]" 1
80 1 10 C H3' 1 10 C H6 2.500 . 3.200 2.784 2.732 2.834 . 0 0 "[ . 1 . ]" 1
81 1 10 C H1' 1 10 C H4' 3.500 2.500 4.500 3.032 3.009 3.059 . 0 0 "[ . 1 . ]" 1
82 1 10 C H4' 1 10 C H6 3.500 2.500 4.500 4.234 4.217 4.248 . 0 0 "[ . 1 . ]" 1
83 1 10 C H1' 1 10 C H5' 5.000 3.000 7.000 4.606 4.595 4.621 . 0 0 "[ . 1 . ]" 1
84 1 10 C H5' 1 10 C H6 3.500 2.500 4.500 3.979 3.946 4.005 . 0 0 "[ . 1 . ]" 1
85 1 11 A H1' 1 11 A HO2' 2.500 . 3.200 2.654 1.941 3.356 0.156 5 0 "[ . 1 . ]" 1
86 1 11 A H3' 1 11 A H8 3.500 2.500 4.500 3.016 2.571 3.193 . 0 0 "[ . 1 . ]" 1
87 1 11 A H1' 1 11 A H4' 3.500 2.500 4.500 3.167 3.065 3.365 . 0 0 "[ . 1 . ]" 1
88 1 12 A H1' 1 13 G H8 5.000 3.000 7.000 4.771 4.722 4.907 . 0 0 "[ . 1 . ]" 1
89 1 12 A H1' 1 12 A HO2' 2.500 . 3.200 2.772 1.945 3.089 . 0 0 "[ . 1 . ]" 1
90 1 12 A H1' 1 12 A H3' 4.000 3.000 5.000 3.856 3.834 3.882 . 0 0 "[ . 1 . ]" 1
91 1 12 A H1' 1 12 A H4' 3.500 2.500 4.500 3.291 3.114 3.494 . 0 0 "[ . 1 . ]" 1
92 1 12 A H4' 1 12 A H8 4.500 3.500 5.500 4.467 4.316 4.579 . 0 0 "[ . 1 . ]" 1
93 1 13 G H1' 1 13 G H8 3.500 2.500 4.500 3.819 3.816 3.823 . 0 0 "[ . 1 . ]" 1
94 1 13 G H1' 1 14 G H8 4.500 3.500 5.500 4.774 4.743 4.792 . 0 0 "[ . 1 . ]" 1
95 1 13 G H1' 1 13 G HO2' 2.500 . 3.200 2.684 1.938 3.192 . 0 0 "[ . 1 . ]" 1
96 1 13 G H8 1 13 G HO2' 3.500 2.500 4.500 5.255 5.105 5.472 0.972 7 16 [******+********-] 1
97 1 13 G HO2' 1 14 G H8 2.500 . 3.200 4.676 3.803 4.994 1.794 13 16 [******-*****+***] 1
98 1 13 G H3' 1 13 G H8 2.500 . 3.200 2.815 2.763 2.903 . 0 0 "[ . 1 . ]" 1
99 1 13 G H3' 1 14 G H8 3.500 2.500 4.500 3.495 3.431 3.563 . 0 0 "[ . 1 . ]" 1
100 1 13 G H1' 1 13 G H4' 3.500 2.500 4.500 3.241 3.148 3.326 . 0 0 "[ . 1 . ]" 1
101 1 13 G H4' 1 13 G H8 4.500 3.500 5.500 4.435 4.373 4.504 . 0 0 "[ . 1 . ]" 1
102 1 13 G H5' 1 13 G H8 3.500 2.500 4.500 3.971 3.812 4.130 . 0 0 "[ . 1 . ]" 1
103 1 14 G H1' 1 14 G H8 3.500 2.500 4.500 3.821 3.818 3.823 . 0 0 "[ . 1 . ]" 1
104 1 14 G H1' 1 15 C H6 4.500 3.500 5.500 4.768 4.749 4.783 . 0 0 "[ . 1 . ]" 1
105 1 14 G H1' 1 14 G HO2' 2.500 . 3.200 2.629 1.927 3.195 . 0 0 "[ . 1 . ]" 1
106 1 14 G H8 1 14 G HO2' 3.500 2.500 4.500 5.312 5.145 5.489 0.989 11 16 [****-*****+*****] 1
107 1 14 G HO2' 1 15 C H5 3.500 2.500 4.500 6.117 5.548 6.492 1.992 14 16 [**********-**+**] 1
108 1 14 G HO2' 1 15 C H6 2.500 . 3.200 4.248 3.441 4.733 1.533 14 14 "[********-* * +**]" 1
109 1 14 G H1' 1 14 G H3' 4.000 3.000 5.000 3.825 3.823 3.828 . 0 0 "[ . 1 . ]" 1
110 1 14 G H3' 1 14 G H8 3.500 2.500 4.500 2.912 2.888 2.941 . 0 0 "[ . 1 . ]" 1
111 1 14 G H3' 1 15 C H6 3.500 2.500 4.500 3.559 3.504 3.719 . 0 0 "[ . 1 . ]" 1
112 1 14 G H5' 1 14 G H8 4.000 3.000 5.000 4.055 4.018 4.100 . 0 0 "[ . 1 . ]" 1
113 1 15 C H1' 1 15 C H6 3.500 2.500 4.500 3.633 3.632 3.633 . 0 0 "[ . 1 . ]" 1
114 1 15 C H1' 1 16 U H6 3.500 2.500 4.500 4.720 4.691 4.741 0.241 15 0 "[ . 1 . ]" 1
115 1 15 C H1' 1 15 C HO2' 2.500 . 3.200 2.754 2.198 3.152 . 0 0 "[ . 1 . ]" 1
116 1 15 C H6 1 15 C HO2' 4.500 3.500 5.500 5.047 4.871 5.283 . 0 0 "[ . 1 . ]" 1
117 1 15 C HO2' 1 16 U H6 2.800 2.100 3.500 4.395 3.548 4.815 1.315 16 12 "[ ******-** **+]" 1
118 1 15 C HO2' 1 16 U H5 3.500 2.500 4.500 6.200 5.611 6.463 1.963 11 16 [**********+*-***] 1
119 1 15 C H3' 1 15 C H6 2.800 . 3.800 2.638 2.625 2.662 . 0 0 "[ . 1 . ]" 1
120 1 15 C H3' 1 15 C H5 4.500 3.500 5.500 4.536 4.518 4.576 . 0 0 "[ . 1 . ]" 1
121 1 15 C H3' 1 16 U H5 5.000 3.000 7.000 3.979 3.945 4.025 . 0 0 "[ . 1 . ]" 1
122 1 15 C H3' 1 16 U H6 3.500 2.500 4.500 3.380 3.352 3.409 . 0 0 "[ . 1 . ]" 1
123 1 15 C H5' 1 15 C H6 3.500 2.500 4.500 3.748 3.727 3.800 . 0 0 "[ . 1 . ]" 1
124 1 14 G H8 1 15 C H5 3.500 2.500 4.500 4.194 4.134 4.344 . 0 0 "[ . 1 . ]" 1
125 1 15 C H5 1 15 C H6 2.500 . 3.200 2.449 2.448 2.450 . 0 0 "[ . 1 . ]" 1
126 1 15 C H6 1 16 U H5 4.500 3.500 5.500 3.898 3.802 3.948 . 0 0 "[ . 1 . ]" 1
127 1 16 U H1' 1 16 U H6 3.500 2.500 4.500 3.625 3.619 3.630 . 0 0 "[ . 1 . ]" 1
128 1 16 U H1' 1 17 U H6 5.000 3.000 7.000 5.518 5.387 5.654 . 0 0 "[ . 1 . ]" 1
129 1 16 U H1' 1 18 C H6 4.500 3.500 5.500 5.314 5.152 5.416 . 0 0 "[ . 1 . ]" 1
130 1 16 U H1' 1 16 U HO2' 2.500 . 3.200 1.951 1.938 1.966 . 0 0 "[ . 1 . ]" 1
131 1 16 U H3' 1 16 U HO2' 2.500 . 3.500 4.028 4.022 4.035 0.535 16 16 [*********-*****+] 1
132 1 16 U H6 1 16 U HO2' 3.500 2.500 4.500 4.941 4.934 4.950 0.450 5 0 "[ . 1 . ]" 1
133 1 16 U H5 1 16 U HO2' 4.500 3.500 5.500 6.713 6.704 6.722 1.222 15 16 [************-*+*] 1
134 1 16 U HO2' 1 17 U H6 5.000 3.000 7.000 3.946 3.745 4.085 . 0 0 "[ . 1 . ]" 1
135 1 16 U HO2' 1 18 C H5 2.500 . 3.200 4.734 4.571 4.889 1.689 11 16 [**********+***-*] 1
136 1 16 U HO2' 1 18 C H6 2.500 . 3.500 4.266 4.066 4.467 0.967 10 16 [*********+****-*] 1
137 1 16 U H1' 1 16 U H3' 3.500 2.500 4.500 3.846 3.840 3.850 . 0 0 "[ . 1 . ]" 1
138 1 16 U H3' 1 16 U H5 4.500 3.500 5.500 4.617 4.583 4.648 . 0 0 "[ . 1 . ]" 1
139 1 16 U H3' 1 16 U H6 3.500 2.500 4.500 2.713 2.681 2.748 . 0 0 "[ . 1 . ]" 1
140 1 16 U H4' 1 16 U H6 4.000 3.000 5.000 4.171 4.163 4.183 . 0 0 "[ . 1 . ]" 1
141 1 16 U H1' 1 16 U H4' 3.500 2.500 4.500 3.154 3.136 3.165 . 0 0 "[ . 1 . ]" 1
142 1 16 U H4' 1 17 U H5 3.500 2.500 4.500 2.697 2.483 2.853 0.017 15 0 "[ . 1 . ]" 1
143 1 16 U H4' 1 17 U H6 4.500 3.500 5.500 4.189 3.983 4.316 . 0 0 "[ . 1 . ]" 1
144 1 16 U H5 1 16 U H6 2.500 . 3.200 2.424 2.423 2.425 . 0 0 "[ . 1 . ]" 1
145 1 16 U H2' 1 17 U H6 5.000 3.000 7.000 4.463 4.399 4.533 . 0 0 "[ . 1 . ]" 1
146 1 16 U H2' 1 17 U H5 5.000 3.000 7.000 5.052 4.999 5.125 . 0 0 "[ . 1 . ]" 1
147 1 17 U H1' 1 17 U H6 3.500 2.500 4.500 3.608 3.605 3.610 . 0 0 "[ . 1 . ]" 1
148 1 17 U H1' 1 17 U HO2' 3.000 . 4.000 2.894 2.127 3.311 . 0 0 "[ . 1 . ]" 1
149 1 17 U H6 1 17 U HO2' 3.500 2.500 4.500 4.954 4.774 5.133 0.633 6 8 "[* .+- *1 ****]" 1
150 1 17 U H5 1 17 U HO2' 5.000 3.000 7.000 6.342 6.144 6.578 . 0 0 "[ . 1 . ]" 1
151 1 17 U HO2' 1 18 C H6 2.500 . 3.500 2.535 1.923 3.237 . 0 0 "[ . 1 . ]" 1
152 1 17 U HO2' 1 18 C H5 3.500 2.500 4.500 4.564 4.077 5.187 0.687 8 3 "[ -. + * . ]" 1
153 1 17 U H3' 1 18 C H5 3.500 2.500 4.500 2.637 2.430 2.725 0.070 10 0 "[ . 1 . ]" 1
154 1 17 U H3' 1 18 C H6 2.500 . 3.500 2.222 2.177 2.240 . 0 0 "[ . 1 . ]" 1
155 1 17 U H3' 1 17 U H6 4.500 3.500 5.500 4.439 4.411 4.458 . 0 0 "[ . 1 . ]" 1
156 1 17 U H1' 1 17 U H3' 4.000 3.000 5.000 3.963 3.950 3.973 . 0 0 "[ . 1 . ]" 1
157 1 17 U H4' 1 17 U H6 4.000 3.000 5.000 4.035 3.990 4.094 . 0 0 "[ . 1 . ]" 1
158 1 17 U H4' 1 18 C H5 4.500 3.500 5.500 5.048 4.924 5.078 . 0 0 "[ . 1 . ]" 1
159 1 17 U H1' 1 17 U H4' 4.000 3.000 5.000 3.567 3.509 3.609 . 0 0 "[ . 1 . ]" 1
160 1 17 U H5 1 17 U H6 2.500 . 3.200 2.427 2.426 2.428 . 0 0 "[ . 1 . ]" 1
161 1 17 U H5'' 1 18 C H5 2.500 . 3.200 3.422 3.363 3.461 0.261 3 0 "[ . 1 . ]" 1
162 1 17 U H5'' 1 18 C H6 4.000 3.000 5.000 4.395 4.324 4.488 . 0 0 "[ . 1 . ]" 1
163 1 17 U H5' 1 17 U H6 2.500 . 3.200 2.726 2.644 2.855 . 0 0 "[ . 1 . ]" 1
164 1 18 C H1' 1 18 C H6 3.500 2.500 4.500 3.611 3.603 3.616 . 0 0 "[ . 1 . ]" 1
165 1 18 C H1' 1 18 C HO2' 2.800 2.100 3.500 2.769 1.987 3.426 0.113 14 0 "[ . 1 . ]" 1
166 1 18 C H3' 1 18 C HO2' 2.500 . 3.200 3.329 2.709 3.824 0.624 12 4 "[*- . * + . ]" 1
167 1 18 C H5 1 18 C HO2' 4.500 3.500 5.500 6.550 6.020 7.088 1.588 11 16 [-*********+*****] 1
168 1 18 C H1' 1 18 C H3' 4.500 3.500 5.500 3.879 3.873 3.889 . 0 0 "[ . 1 . ]" 1
169 1 18 C H3' 1 18 C H6 3.500 2.500 4.500 4.572 4.551 4.597 0.097 5 0 "[ . 1 . ]" 1
170 1 18 C H1' 1 18 C H4' 3.500 2.500 4.500 3.364 3.338 3.434 . 0 0 "[ . 1 . ]" 1
171 1 18 C H3' 1 18 C H4' 2.800 2.100 3.500 2.712 2.681 2.729 . 0 0 "[ . 1 . ]" 1
172 1 18 C H4' 1 18 C H6 3.500 2.500 4.500 4.232 4.179 4.250 . 0 0 "[ . 1 . ]" 1
173 1 18 C H4' 1 19 G H3' 4.500 3.500 5.500 4.574 4.445 4.672 . 0 0 "[ . 1 . ]" 1
174 1 16 U H6 1 18 C H5 5.000 3.000 7.000 5.272 5.181 5.352 . 0 0 "[ . 1 . ]" 1
175 1 16 U H3' 1 18 C H5 4.000 3.000 5.000 3.809 3.704 3.896 . 0 0 "[ . 1 . ]" 1
176 1 16 U H3' 1 18 C H6 5.000 4.000 6.000 5.426 5.351 5.505 . 0 0 "[ . 1 . ]" 1
177 1 18 C H5 1 18 C H6 2.500 . 3.200 2.451 2.450 2.451 . 0 0 "[ . 1 . ]" 1
178 1 18 C H1' 1 18 C Q5' 4.500 3.500 5.500 4.312 4.305 4.323 . 0 0 "[ . 1 . ]" 1
179 1 18 C Q5' 1 18 C HO2' 3.500 2.500 4.500 4.933 4.623 5.192 0.692 1 7 "[+* . ** **-. ]" 1
180 1 18 C Q5' 1 18 C H6 4.500 3.500 5.500 3.245 3.156 3.269 0.344 10 0 "[ . 1 . ]" 1
181 1 18 C H3' 1 18 C Q5' 2.500 . 3.200 2.229 2.209 2.257 . 0 0 "[ . 1 . ]" 1
182 1 19 G H1' 1 19 G H8 2.500 . 3.200 2.569 2.560 2.623 . 0 0 "[ . 1 . ]" 1
183 1 19 G H1' 1 19 G H3' 4.000 3.000 5.000 3.918 3.915 3.923 . 0 0 "[ . 1 . ]" 1
184 1 19 G H1' 1 19 G HO2' 3.000 2.300 3.700 2.504 1.879 3.340 0.421 14 0 "[ . 1 . ]" 1
185 1 19 G H3' 1 19 G HO2' 2.500 . 3.200 3.738 3.258 4.039 0.839 8 9 "[- . *+** **** ]" 1
186 1 19 G H4' 1 19 G HO2' 4.000 3.000 5.000 3.464 2.660 4.180 0.340 11 0 "[ . 1 . ]" 1
187 1 19 G H8 1 19 G HO2' 4.000 3.000 5.000 4.534 3.896 5.444 0.444 3 0 "[ . 1 . ]" 1
188 1 19 G HO2' 1 20 G H8 4.500 3.500 5.500 5.811 4.782 6.541 1.041 9 9 "[ * -. **+1** *.*]" 1
189 1 19 G HO2' 1 20 G H4' 3.500 2.500 4.500 3.106 2.070 3.945 0.430 1 0 "[ . 1 . ]" 1
190 1 19 G H3' 1 20 G H8 3.500 2.500 4.500 4.325 3.509 4.529 0.029 15 0 "[ . 1 . ]" 1
191 1 19 G H3' 1 19 G H4' 3.000 . 4.000 3.021 3.017 3.026 . 0 0 "[ . 1 . ]" 1
192 1 19 G H1' 1 19 G H4' 3.000 2.300 3.700 2.968 2.958 2.978 . 0 0 "[ . 1 . ]" 1
193 1 18 C H4' 1 19 G H4' 4.500 3.500 5.500 5.643 5.589 5.727 0.227 10 0 "[ . 1 . ]" 1
194 1 19 G H3' 1 19 G H5' 3.500 2.500 4.500 3.220 3.202 3.257 . 0 0 "[ . 1 . ]" 1
195 1 18 C H4' 1 19 G H5' 2.500 . 3.200 3.367 3.324 3.639 0.439 10 0 "[ . 1 . ]" 1
196 1 19 G H1' 1 19 G H5' 4.500 3.500 5.500 4.431 4.430 4.432 . 0 0 "[ . 1 . ]" 1
197 1 19 G H4' 1 19 G H5' 3.000 2.300 3.700 2.837 2.822 2.843 . 0 0 "[ . 1 . ]" 1
198 1 18 C Q5' 1 19 G H5' 5.000 4.000 6.000 3.986 3.896 4.360 0.104 7 0 "[ . 1 . ]" 1
199 1 20 G H8 1 20 G HO2' 3.500 2.500 4.500 5.271 5.110 5.485 0.985 3 16 [**+********-****] 1
200 1 20 G HO2' 1 21 C H6 2.500 . 3.200 4.247 3.595 4.717 1.517 12 13 "[** -* * ***+****]" 1
201 1 20 G HO2' 1 21 C H5 3.500 2.500 4.500 6.060 5.611 6.422 1.922 14 16 [*****-*******+**] 1
202 1 20 G H3' 1 21 C H6 3.500 2.500 4.500 3.343 3.310 3.437 . 0 0 "[ . 1 . ]" 1
203 1 20 G H3' 1 21 C H5 3.500 2.500 4.500 3.949 3.871 4.140 . 0 0 "[ . 1 . ]" 1
204 1 20 G H3' 1 20 G H8 3.000 . 4.000 2.852 2.651 2.935 . 0 0 "[ . 1 . ]" 1
205 1 20 G H4' 1 20 G H8 4.500 3.500 5.500 4.325 4.259 4.340 . 0 0 "[ . 1 . ]" 1
206 1 20 G H5'' 1 20 G H8 2.500 . 3.500 2.381 2.281 3.653 0.153 10 0 "[ . 1 . ]" 1
207 1 20 G H8 1 21 C H5 4.500 3.500 5.500 4.079 3.970 4.250 . 0 0 "[ . 1 . ]" 1
208 1 21 C H1' 1 21 C H6 3.500 2.500 4.500 3.634 3.624 3.642 . 0 0 "[ . 1 . ]" 1
209 1 21 C H1' 1 22 C H6 4.500 3.500 5.500 4.724 4.624 4.781 . 0 0 "[ . 1 . ]" 1
210 1 21 C H1' 1 21 C HO2' 2.500 . 3.200 2.147 1.917 2.698 . 0 0 "[ . 1 . ]" 1
211 1 21 C H6 1 21 C HO2' 4.000 3.000 5.000 4.966 4.905 5.185 0.185 14 0 "[ . 1 . ]" 1
212 1 21 C HO2' 1 22 C H6 2.500 . 3.200 4.340 3.503 4.712 1.512 7 14 "[***-* +****** **]" 1
213 1 21 C HO2' 1 22 C H5 3.500 2.500 4.500 6.045 5.465 6.373 1.873 7 16 [******+******-**] 1
214 1 21 C HO2' 1 22 C H1' 5.000 4.000 6.000 5.085 3.990 5.765 0.010 14 0 "[ . 1 . ]" 1
215 1 21 C H1' 1 21 C H3' 4.000 3.000 5.000 3.841 3.832 3.846 . 0 0 "[ . 1 . ]" 1
216 1 21 C H3' 1 22 C H6 3.500 2.500 4.500 3.546 3.498 3.587 . 0 0 "[ . 1 . ]" 1
217 1 21 C H3' 1 22 C H5 3.500 2.500 4.500 4.211 4.172 4.244 . 0 0 "[ . 1 . ]" 1
218 1 21 C H6 1 22 C H5 4.500 3.500 5.500 4.066 4.001 4.112 . 0 0 "[ . 1 . ]" 1
219 1 22 C H1' 1 22 C H6 3.500 2.500 4.500 3.641 3.622 3.652 . 0 0 "[ . 1 . ]" 1
220 1 22 C H1' 1 23 U H6 5.000 4.000 6.000 5.556 5.191 5.936 . 0 0 "[ . 1 . ]" 1
221 1 22 C H1' 1 22 C HO2' 2.500 . 3.200 2.165 1.902 2.561 . 0 0 "[ . 1 . ]" 1
222 1 22 C H6 1 22 C HO2' 4.000 3.000 5.000 4.978 4.914 5.097 0.097 16 0 "[ . 1 . ]" 1
223 1 22 C HO2' 1 23 U H6 3.500 2.500 4.500 4.814 4.111 5.381 0.881 6 6 "[ *+ * - ** . ]" 1
224 1 22 C H5 1 22 C H6 2.500 . 3.200 2.449 2.448 2.449 . 0 0 "[ . 1 . ]" 1
225 1 22 C H3' 1 23 U H6 3.500 2.500 4.500 3.783 3.285 4.119 . 0 0 "[ . 1 . ]" 1
226 1 23 U H1' 1 23 U H6 3.500 2.500 4.500 3.584 3.566 3.605 . 0 0 "[ . 1 . ]" 1
227 1 23 U H1' 1 23 U HO2' 2.500 . 3.200 2.127 1.910 2.634 . 0 0 "[ . 1 . ]" 1
228 1 23 U H6 1 23 U HO2' 3.500 2.500 4.500 4.940 4.862 5.171 0.671 14 3 "[* . - 1 +. ]" 1
229 1 23 U HO2' 1 24 G H1' 4.500 3.500 5.500 4.976 3.904 6.035 0.535 10 1 "[ . + . ]" 1
230 1 23 U H1' 1 23 U H3' 4.000 3.000 5.000 3.833 3.826 3.840 . 0 0 "[ . 1 . ]" 1
231 1 23 U H3' 1 23 U H6 4.000 3.000 5.000 2.817 2.732 2.960 0.268 12 0 "[ . 1 . ]" 1
232 1 23 U H1' 1 23 U H4' 3.500 2.500 4.500 3.200 3.144 3.272 . 0 0 "[ . 1 . ]" 1
233 1 23 U H1' 1 23 U H5' 5.000 4.000 6.000 4.691 4.674 4.714 . 0 0 "[ . 1 . ]" 1
234 1 23 U H5 1 23 U H6 2.500 . 3.200 2.424 2.423 2.425 . 0 0 "[ . 1 . ]" 1
235 1 24 G H1' 1 24 G H8 3.500 2.500 4.500 3.826 3.791 3.837 . 0 0 "[ . 1 . ]" 1
236 1 24 G H1' 1 24 G HO2' 2.500 . 3.200 2.261 1.931 2.951 . 0 0 "[ . 1 . ]" 1
237 1 24 G H8 1 24 G HO2' 4.500 3.500 5.500 5.216 5.123 5.560 0.060 10 0 "[ . 1 . ]" 1
238 1 24 G HO2' 1 25 C H6 3.500 2.500 4.500 4.480 3.620 4.775 0.275 14 0 "[ . 1 . ]" 1
239 1 25 C H1' 1 25 C HO2' 2.500 . 3.200 2.253 1.958 2.972 . 0 0 "[ . 1 . ]" 1
240 1 25 C HO2' 1 26 U H6 3.500 2.500 4.500 4.505 3.631 4.874 0.374 9 0 "[ . 1 . ]" 1
241 1 25 C H1' 1 25 C H3' 4.000 3.000 5.000 3.818 3.814 3.825 . 0 0 "[ . 1 . ]" 1
242 1 25 C H3' 1 25 C H6 3.000 . 4.000 2.548 2.533 2.570 . 0 0 "[ . 1 . ]" 1
243 1 25 C H3' 1 26 U H6 4.000 3.000 5.000 3.463 3.349 3.554 . 0 0 "[ . 1 . ]" 1
244 1 25 C H1' 1 25 C H4' 3.500 2.500 4.500 3.249 3.227 3.311 . 0 0 "[ . 1 . ]" 1
245 1 25 C H5 1 25 C H5'' 5.000 4.000 6.000 6.314 6.184 6.362 0.362 9 0 "[ . 1 . ]" 1
246 1 25 C H5 1 25 C H6 2.500 . 3.200 2.450 2.450 2.451 . 0 0 "[ . 1 . ]" 1
247 1 9 A H2 1 26 U H1' 3.500 2.500 4.500 3.319 3.165 3.439 . 0 0 "[ . 1 . ]" 1
248 1 26 U H1' 1 26 U H6 3.500 2.500 4.500 3.639 3.637 3.642 . 0 0 "[ . 1 . ]" 1
249 1 26 U H1' 1 27 U H6 4.500 3.500 5.500 4.748 4.729 4.776 . 0 0 "[ . 1 . ]" 1
250 1 26 U H1' 1 26 U HO2' 2.500 . 3.200 2.333 1.945 2.977 . 0 0 "[ . 1 . ]" 1
251 1 26 U HO2' 1 27 U H5 3.500 2.500 4.500 6.253 5.654 6.569 2.069 15 16 [*********-****+*] 1
252 1 26 U HO2' 1 27 U H6 2.500 . 3.200 4.379 3.549 4.780 1.580 15 14 "[*********1-* *+*]" 1
253 1 26 U H1' 1 26 U H3' 4.000 3.000 5.000 3.817 3.814 3.821 . 0 0 "[ . 1 . ]" 1
254 1 26 U H3' 1 27 U H5 3.500 2.500 4.500 4.197 4.147 4.243 . 0 0 "[ . 1 . ]" 1
255 1 26 U H3' 1 27 U H6 3.000 . 4.000 3.520 3.495 3.560 . 0 0 "[ . 1 . ]" 1
256 1 26 U H5 1 26 U H6 2.500 . 3.200 2.426 2.425 2.427 . 0 0 "[ . 1 . ]" 1
257 1 27 U H1' 1 27 U H6 3.500 2.500 4.500 3.633 3.632 3.635 . 0 0 "[ . 1 . ]" 1
258 1 27 U H1' 1 28 U H6 5.000 4.000 6.000 4.753 4.740 4.769 . 0 0 "[ . 1 . ]" 1
259 1 27 U H1' 1 27 U HO2' 2.500 . 3.200 2.407 1.999 3.040 . 0 0 "[ . 1 . ]" 1
260 1 27 U H6 1 27 U HO2' 4.000 3.000 5.000 4.969 4.869 5.199 0.199 4 0 "[ . 1 . ]" 1
261 1 27 U HO2' 1 28 U H6 2.500 . 3.200 4.462 3.711 4.738 1.538 11 16 [***-******+*****] 1
262 1 27 U HO2' 1 28 U H5 3.500 2.500 4.500 6.280 5.733 6.494 1.994 7 16 [***-**+*********] 1
263 1 27 U H5 1 27 U H6 2.500 . 3.200 2.425 2.425 2.426 . 0 0 "[ . 1 . ]" 1
264 1 27 U H1' 1 27 U H3' 4.000 3.000 5.000 3.828 3.825 3.831 . 0 0 "[ . 1 . ]" 1
265 1 27 U H3' 1 27 U H6 3.000 . 4.000 2.629 2.607 2.649 . 0 0 "[ . 1 . ]" 1
266 1 27 U H3' 1 28 U H6 3.500 2.500 4.500 3.374 3.344 3.398 . 0 0 "[ . 1 . ]" 1
267 1 27 U H3' 1 28 U H5 3.500 2.500 4.500 3.945 3.878 3.993 . 0 0 "[ . 1 . ]" 1
268 1 28 U H1' 1 28 U H6 3.500 2.500 4.500 3.635 3.632 3.636 . 0 0 "[ . 1 . ]" 1
269 1 28 U H1' 1 29 U H6 5.000 4.000 6.000 4.618 4.585 4.648 . 0 0 "[ . 1 . ]" 1
270 1 7 A H2 1 28 U H1' 4.500 3.500 5.500 3.392 3.356 3.425 0.144 9 0 "[ . 1 . ]" 1
271 1 28 U H1' 1 28 U HO2' 2.500 . 3.200 2.312 1.955 3.111 . 0 0 "[ . 1 . ]" 1
272 1 28 U H6 1 28 U HO2' 4.000 3.000 5.000 4.934 4.818 5.262 0.262 8 0 "[ . 1 . ]" 1
273 1 28 U HO2' 1 29 U H6 2.500 . 3.200 4.129 3.043 4.570 1.370 10 12 "[**-** * *+** ** ]" 1
274 1 28 U H3' 1 28 U H6 2.500 . 3.200 2.481 2.458 2.526 . 0 0 "[ . 1 . ]" 1
275 1 28 U H3' 1 29 U H5 3.000 . 4.000 4.087 4.048 4.120 0.120 6 0 "[ . 1 . ]" 1
276 1 28 U H3' 1 29 U H6 3.500 2.500 4.500 3.628 3.594 3.704 . 0 0 "[ . 1 . ]" 1
277 1 28 U H1' 1 28 U H3' 4.000 3.000 5.000 3.805 3.798 3.809 . 0 0 "[ . 1 . ]" 1
278 1 28 U H4' 1 28 U H6 4.000 3.000 5.000 4.087 4.071 4.121 . 0 0 "[ . 1 . ]" 1
279 1 27 U H6 1 28 U H5 5.000 4.000 6.000 4.185 4.102 4.247 . 0 0 "[ . 1 . ]" 1
280 1 28 U H5 1 28 U H6 2.500 . 3.200 2.425 2.424 2.425 . 0 0 "[ . 1 . ]" 1
281 1 29 U H1' 1 29 U H6 3.500 2.500 4.500 3.640 3.638 3.642 . 0 0 "[ . 1 . ]" 1
282 1 29 U H1' 1 30 G H8 5.000 4.000 6.000 4.584 4.563 4.599 . 0 0 "[ . 1 . ]" 1
283 1 29 U H1' 1 29 U HO2' 2.500 . 3.200 2.616 2.061 3.106 . 0 0 "[ . 1 . ]" 1
284 1 29 U H6 1 29 U HO2' 4.000 3.000 5.000 4.993 4.832 5.255 0.255 12 0 "[ . 1 . ]" 1
285 1 29 U HO2' 1 30 G H8 2.500 . 3.200 4.462 3.691 4.887 1.687 1 14 "[+***** **** -***]" 1
286 1 29 U HO2' 1 30 G H1' 4.500 3.500 5.500 5.032 3.865 5.746 0.246 4 0 "[ . 1 . ]" 1
287 1 29 U H1' 1 29 U H3' 4.000 3.000 5.000 3.809 3.805 3.812 . 0 0 "[ . 1 . ]" 1
288 1 29 U H3' 1 29 U H6 2.500 . 3.200 2.480 2.459 2.492 . 0 0 "[ . 1 . ]" 1
289 1 29 U H3' 1 30 G H8 2.500 . 3.200 3.463 3.435 3.485 0.285 13 0 "[ . 1 . ]" 1
290 1 29 U H5 1 29 U H6 2.500 . 3.200 2.425 2.425 2.426 . 0 0 "[ . 1 . ]" 1
291 1 28 U H6 1 29 U H5 4.500 3.500 5.500 4.372 4.283 4.427 . 0 0 "[ . 1 . ]" 1
292 1 5 A H2 1 30 G H1' 5.000 4.000 7.000 4.189 4.078 4.307 . 0 0 "[ . 1 . ]" 1
293 1 30 G H1' 1 30 G H8 4.000 3.000 5.000 3.814 3.811 3.818 . 0 0 "[ . 1 . ]" 1
294 1 30 G H1' 1 31 C H6 5.000 4.000 7.000 4.748 4.728 4.764 . 0 0 "[ . 1 . ]" 1
295 1 30 G H1' 1 30 G HO2' 2.500 . 3.200 2.407 1.931 3.117 . 0 0 "[ . 1 . ]" 1
296 1 30 G HO2' 1 31 C H6 2.500 . 3.200 4.207 3.629 4.754 1.554 1 13 "[+ **-* ********]" 1
297 1 30 G HO2' 1 31 C H5 3.500 2.500 4.500 6.062 5.655 6.473 1.973 1 16 [+******-********] 1
298 1 30 G HO2' 1 31 C H1' 4.500 3.500 5.500 4.845 3.992 5.793 0.293 9 0 "[ . 1 . ]" 1
299 1 30 G H3' 1 31 C H5 3.000 . 4.000 4.024 3.984 4.055 0.055 6 0 "[ . 1 . ]" 1
300 1 30 G H3' 1 31 C H6 3.000 . 4.000 3.382 3.351 3.407 . 0 0 "[ . 1 . ]" 1
301 1 30 G H3' 1 30 G H8 3.500 2.500 4.500 3.090 3.073 3.114 . 0 0 "[ . 1 . ]" 1
302 1 31 C H1' 1 31 C H6 3.500 2.500 4.500 3.622 3.620 3.624 . 0 0 "[ . 1 . ]" 1
303 1 31 C H1' 1 32 U H6 5.000 4.000 6.000 4.761 4.756 4.768 . 0 0 "[ . 1 . ]" 1
304 1 31 C H1' 1 31 C HO2' 2.500 . 3.200 2.366 1.933 2.773 . 0 0 "[ . 1 . ]" 1
305 1 31 C HO2' 1 32 U H5 4.000 3.000 5.000 5.921 5.526 6.414 1.414 5 16 [****+*******-***] 1
306 1 31 C HO2' 1 32 U H6 2.500 . 3.500 4.140 3.554 4.750 1.250 3 8 "[**+ ** * * - ]" 1
307 1 31 C H1' 1 31 C H3' 4.000 3.000 5.000 3.838 3.836 3.840 . 0 0 "[ . 1 . ]" 1
308 1 30 G H8 1 31 C H5 4.000 3.000 5.000 3.913 3.866 3.964 . 0 0 "[ . 1 . ]" 1
309 1 31 C H5 1 31 C H6 2.500 . 3.200 2.446 2.446 2.447 . 0 0 "[ . 1 . ]" 1
310 1 32 U H1' 1 32 U H6 3.500 2.500 4.500 3.642 3.639 3.645 . 0 0 "[ . 1 . ]" 1
311 1 32 U H1' 1 32 U HO2' 2.500 . 3.200 2.684 1.911 3.349 0.149 2 0 "[ . 1 . ]" 1
312 1 32 U H3' 1 32 U H6 3.000 . 4.000 2.817 2.782 2.845 . 0 0 "[ . 1 . ]" 1
313 1 32 U H1' 1 32 U H3' 4.000 3.000 5.000 3.872 3.870 3.874 . 0 0 "[ . 1 . ]" 1
314 1 32 U H5 1 32 U H6 2.500 . 3.200 2.424 2.424 2.425 . 0 0 "[ . 1 . ]" 1
315 1 3 G H8 1 4 U H6 5.000 3.000 7.000 4.694 4.665 4.729 . 0 0 "[ . 1 . ]" 1
316 1 4 U H6 1 5 A H8 5.000 3.000 7.000 4.697 4.558 4.796 . 0 0 "[ . 1 . ]" 1
317 1 5 A H2 1 6 G H8 5.000 3.000 7.000 4.981 4.914 5.038 . 0 0 "[ . 1 . ]" 1
318 1 5 A H8 1 6 G H8 4.500 3.500 5.500 4.557 4.483 4.598 . 0 0 "[ . 1 . ]" 1
319 1 6 G H8 1 7 A H8 4.500 3.500 5.500 4.449 4.378 4.493 . 0 0 "[ . 1 . ]" 1
320 1 7 A H2 1 8 A H8 5.000 3.000 7.000 5.268 5.222 5.307 . 0 0 "[ . 1 . ]" 1
321 1 7 A H2 1 8 A H2 5.000 3.000 7.000 4.944 4.920 4.976 . 0 0 "[ . 1 . ]" 1
322 1 8 A H2 1 27 U H6 5.000 3.000 7.000 5.341 5.239 5.410 . 0 0 "[ . 1 . ]" 1
323 1 8 A H8 1 9 A H8 5.000 3.000 7.000 4.702 4.643 4.754 . 0 0 "[ . 1 . ]" 1
324 1 9 A H8 1 10 C H6 5.000 3.000 7.000 4.727 4.643 4.822 . 0 0 "[ . 1 . ]" 1
325 1 11 A H2 1 12 A H8 5.000 3.000 7.000 5.385 4.707 6.473 . 0 0 "[ . 1 . ]" 1
326 1 12 A H2 1 13 G H8 5.000 3.000 7.000 5.253 5.110 5.463 . 0 0 "[ . 1 . ]" 1
327 1 15 C H6 1 16 U H6 4.500 3.500 5.500 4.490 4.411 4.527 . 0 0 "[ . 1 . ]" 1
328 1 20 G H8 1 21 C H6 5.000 3.000 7.000 4.771 4.675 4.871 . 0 0 "[ . 1 . ]" 1
329 1 21 C H6 1 22 C H6 4.500 3.500 5.500 4.661 4.626 4.705 . 0 0 "[ . 1 . ]" 1
330 1 22 C H6 1 23 U H6 5.000 3.000 7.000 5.288 4.689 5.704 . 0 0 "[ . 1 . ]" 1
331 1 26 U H6 1 27 U H6 4.500 3.500 5.500 4.668 4.634 4.705 . 0 0 "[ . 1 . ]" 1
332 1 29 U H6 1 30 G H8 4.500 3.500 5.500 4.387 4.325 4.437 . 0 0 "[ . 1 . ]" 1
333 1 30 G H8 1 31 C H6 5.000 4.000 7.000 4.646 4.606 4.693 . 0 0 "[ . 1 . ]" 1
334 1 3 G H1 1 31 C H1' 5.000 4.000 6.000 5.313 5.292 5.334 . 0 0 "[ . 1 . ]" 1
335 1 3 G H1 1 31 C H41 3.500 2.500 4.500 2.357 2.339 2.372 0.161 13 0 "[ . 1 . ]" 1
336 1 3 G H1 1 31 C H42 4.500 3.000 6.000 3.898 3.883 3.911 . 0 0 "[ . 1 . ]" 1
337 1 3 G H1 1 4 U H3 3.500 . 5.000 3.446 3.400 3.494 . 0 0 "[ . 1 . ]" 1
338 1 3 G H1 1 30 G H1 5.000 3.000 7.000 3.815 3.714 3.885 . 0 0 "[ . 1 . ]" 1
339 1 4 U H3 1 30 G H21 4.500 3.500 5.500 4.185 4.153 4.211 . 0 0 "[ . 1 . ]" 1
340 1 4 U H3 1 30 G H1 2.500 . 3.500 2.154 2.133 2.173 . 0 0 "[ . 1 . ]" 1
341 1 5 A H2 1 29 U H3 3.500 . 5.000 2.630 2.548 2.706 . 0 0 "[ . 1 . ]" 1
342 1 5 A H61 1 29 U H3 2.500 . 3.500 2.588 2.489 2.702 . 0 0 "[ . 1 . ]" 1
343 1 5 A H2 1 30 G H1 4.500 3.500 5.500 4.557 4.450 4.663 . 0 0 "[ . 1 . ]" 1
344 1 6 G H1 1 27 U H3 5.000 3.000 7.000 4.679 4.578 4.729 . 0 0 "[ . 1 . ]" 1
345 1 6 G H1 1 28 U H3 2.500 . 3.500 2.130 2.108 2.149 . 0 0 "[ . 1 . ]" 1
346 1 6 G H1 1 29 U H3 4.000 2.500 5.500 3.759 3.737 3.794 . 0 0 "[ . 1 . ]" 1
347 1 6 G H1 1 7 A H1' 5.000 3.000 7.000 4.486 4.440 4.539 . 0 0 "[ . 1 . ]" 1
348 1 6 G H1 1 7 A H2 4.500 3.500 5.500 3.862 3.835 3.893 . 0 0 "[ . 1 . ]" 1
349 1 5 A H61 1 6 G H1 3.500 . 5.000 4.288 4.079 4.373 . 0 0 "[ . 1 . ]" 1
350 1 6 G H21 1 28 U H3 4.500 3.500 5.500 4.199 4.166 4.225 . 0 0 "[ . 1 . ]" 1
351 1 7 A H2 1 27 U H3 2.500 . 3.500 2.882 2.850 2.913 . 0 0 "[ . 1 . ]" 1
352 1 7 A H61 1 27 U H3 2.500 . 3.500 2.275 2.235 2.313 . 0 0 "[ . 1 . ]" 1
353 1 7 A H2 1 28 U H3 4.500 3.500 5.500 4.232 4.147 4.368 . 0 0 "[ . 1 . ]" 1
354 1 7 A H61 1 28 U H3 3.500 . 5.000 4.238 4.101 4.289 . 0 0 "[ . 1 . ]" 1
355 1 8 A H2 1 26 U H3 2.500 . 3.500 2.928 2.900 2.954 . 0 0 "[ . 1 . ]" 1
356 1 8 A H61 1 26 U H3 2.500 . 3.500 2.166 2.140 2.197 . 0 0 "[ . 1 . ]" 1
357 1 9 A H2 1 26 U H3 4.000 3.000 5.000 4.354 4.171 4.496 . 0 0 "[ . 1 . ]" 1
358 1 9 A H2 1 24 G H1 4.500 3.500 5.500 4.951 4.822 5.133 . 0 0 "[ . 1 . ]" 1
359 1 10 C H42 1 10 C H5 2.500 . 3.500 2.400 2.399 2.400 . 0 0 "[ . 1 . ]" 1
360 1 10 C H41 1 24 G H1 2.500 . 3.500 2.500 2.369 2.776 . 0 0 "[ . 1 . ]" 1
361 1 10 C H42 1 24 G H1 4.000 3.000 5.000 3.937 3.811 4.238 . 0 0 "[ . 1 . ]" 1
362 1 10 C H1' 1 24 G H1 5.500 4.500 6.500 4.960 4.864 5.014 . 0 0 "[ . 1 . ]" 1
363 1 11 A H61 1 23 U H3 3.500 2.500 4.500 2.363 2.184 2.488 0.316 10 0 "[ . 1 . ]" 1
364 1 11 A H62 1 23 U H3 4.000 3.000 5.000 3.177 2.608 3.749 0.392 2 0 "[ . 1 . ]" 1
365 1 12 A H61 1 23 U H1' 3.500 2.500 4.500 4.237 3.361 4.538 0.038 7 0 "[ . 1 . ]" 1
366 1 12 A H61 1 23 U H3 4.500 3.500 5.500 4.036 3.463 5.037 0.037 1 0 "[ . 1 . ]" 1
367 1 13 G H1 1 14 G H1 5.000 3.000 7.000 4.043 3.964 4.116 . 0 0 "[ . 1 . ]" 1
368 1 13 G H1 1 22 C H41 2.500 . 3.500 3.123 2.772 3.299 . 0 0 "[ . 1 . ]" 1
369 1 13 G H1 1 22 C H42 3.500 . 5.000 4.540 4.260 4.675 . 0 0 "[ . 1 . ]" 1
370 1 13 G H1 1 21 C H41 5.000 3.000 7.000 4.680 4.399 4.895 . 0 0 "[ . 1 . ]" 1
371 1 14 G H1 1 20 G H1 4.500 3.500 5.500 4.002 3.891 4.251 . 0 0 "[ . 1 . ]" 1
372 1 14 G H1 1 15 C H41 4.500 2.900 5.700 4.293 4.129 4.382 . 0 0 "[ . 1 . ]" 1
373 1 14 G H1 1 21 C H41 2.500 . 3.500 2.338 2.233 2.488 . 0 0 "[ . 1 . ]" 1
374 1 14 G H1 1 21 C H42 3.500 . 5.000 3.886 3.793 4.016 . 0 0 "[ . 1 . ]" 1
375 1 14 G H1 1 22 C H5 4.500 3.500 5.500 4.703 4.505 4.819 . 0 0 "[ . 1 . ]" 1
376 1 14 G H1 1 22 C H41 5.000 3.000 7.000 3.983 3.815 4.114 . 0 0 "[ . 1 . ]" 1
377 1 14 G H1 1 22 C H42 5.000 3.000 7.000 4.374 4.154 4.507 . 0 0 "[ . 1 . ]" 1
378 1 15 C H5 1 20 G H1 4.500 3.500 5.500 5.212 5.194 5.251 . 0 0 "[ . 1 . ]" 1
379 1 15 C H6 1 20 G H1 5.000 3.000 7.000 5.740 5.731 5.750 . 0 0 "[ . 1 . ]" 1
380 1 15 C H41 1 20 G H1 2.500 . 3.500 2.878 2.836 2.971 . 0 0 "[ . 1 . ]" 1
381 1 15 C H42 1 20 G H1 4.500 2.900 5.500 4.339 4.304 4.418 . 0 0 "[ . 1 . ]" 1
382 1 15 C H1' 1 20 G H1 5.000 3.000 7.000 4.957 4.892 4.984 . 0 0 "[ . 1 . ]" 1
383 1 16 U H1' 1 19 G H1 4.500 3.500 5.500 3.463 3.350 3.504 0.150 10 0 "[ . 1 . ]" 1
384 1 16 U H1' 1 20 G H1 3.500 2.500 4.500 4.403 4.315 4.449 . 0 0 "[ . 1 . ]" 1
385 1 16 U H1' 1 20 G H21 3.500 2.300 5.500 3.435 3.343 3.840 . 0 0 "[ . 1 . ]" 1
386 1 16 U HO2' 1 18 C Q4 4.500 3.500 5.500 5.729 5.638 5.831 0.331 11 0 "[ . 1 . ]" 1
387 1 16 U HO2' 1 19 G H1 5.000 3.000 7.000 3.550 3.456 3.626 . 0 0 "[ . 1 . ]" 1
388 1 16 U H2' 1 19 G H1 3.500 2.500 4.500 4.853 4.795 4.926 0.426 15 0 "[ . 1 . ]" 1
389 1 16 U H2' 1 20 G H1 5.000 3.500 6.000 6.100 6.068 6.124 0.124 15 0 "[ . 1 . ]" 1
390 1 16 U H3 1 20 G H1 4.500 3.500 5.500 3.601 3.485 3.738 0.015 13 0 "[ . 1 . ]" 1
391 1 16 U H3 1 19 G H1 4.500 3.500 5.500 4.264 4.232 4.357 . 0 0 "[ . 1 . ]" 1
392 1 16 U H5 1 18 C Q4 4.500 3.500 5.500 3.232 3.187 3.282 0.313 13 0 "[ . 1 . ]" 1
393 1 16 U H6 1 20 G H1 4.500 3.500 5.500 4.905 4.877 4.934 . 0 0 "[ . 1 . ]" 1
394 1 16 U H2' 1 18 C H5 5.000 3.500 6.500 2.638 2.483 2.754 1.017 15 16 [**************+-] 1
395 1 19 G H1 1 20 G H1 4.500 3.500 5.500 4.738 4.591 4.845 . 0 0 "[ . 1 . ]" 1
396 1 19 G H1 1 20 G H21 4.500 3.500 5.500 4.502 4.356 4.686 . 0 0 "[ . 1 . ]" 1
397 1 26 U H3 1 27 U H3 4.000 3.000 5.000 3.868 3.809 3.929 . 0 0 "[ . 1 . ]" 1
398 1 26 U H3 1 27 U H1' 5.500 3.500 6.500 4.906 4.844 4.954 . 0 0 "[ . 1 . ]" 1
399 1 27 U H3 1 28 U H3 4.500 3.500 5.500 3.658 3.621 3.702 . 0 0 "[ . 1 . ]" 1
400 1 28 U H3 1 29 U H3 4.500 3.500 5.500 3.800 3.754 3.888 . 0 0 "[ . 1 . ]" 1
401 1 28 U H3 1 29 U H5 4.500 3.500 5.500 3.977 3.844 4.090 . 0 0 "[ . 1 . ]" 1
402 1 29 U H3 1 30 G H1 5.000 3.000 7.000 4.985 4.954 5.030 . 0 0 "[ . 1 . ]" 1
403 1 30 G H1 1 30 G H21 2.500 . 3.500 2.195 2.194 2.195 . 0 0 "[ . 1 . ]" 1
404 1 31 C H42 1 31 C H5 2.500 . 3.500 2.397 2.397 2.398 . 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 42
_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 2 A 0.000 0.000 . 0 "[ . 1 . ]"
1 3 G 0.000 0.000 . 0 "[ . 1 . ]"
1 5 A 0.000 0.000 . 0 "[ . 1 . ]"
1 7 A 0.000 0.000 . 0 "[ . 1 . ]"
1 8 A 0.000 0.000 . 0 "[ . 1 . ]"
1 13 G 0.000 0.000 . 0 "[ . 1 . ]"
1 14 G 0.000 0.000 . 0 "[ . 1 . ]"
1 15 C 0.000 0.000 . 0 "[ . 1 . ]"
1 16 U 0.000 0.000 . 0 "[ . 1 . ]"
1 19 G 0.000 0.000 . 0 "[ . 1 . ]"
1 20 G 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 26 U 0.000 0.000 . 0 "[ . 1 . ]"
1 27 U 0.000 0.000 . 0 "[ . 1 . ]"
1 29 U 0.000 0.000 . 0 "[ . 1 . ]"
1 31 C 0.000 0.000 . 0 "[ . 1 . ]"
1 32 U 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 2 A N1 1 32 U N3 2.730 2.530 2.930 2.735 2.720 2.755 . 0 0 "[ . 1 . ]" 2
2 1 2 A N6 1 32 U O4 2.920 2.720 3.120 2.891 2.855 2.913 . 0 0 "[ . 1 . ]" 2
3 1 2 A N1 1 32 U H3 1.730 . 1.930 1.737 1.724 1.756 . 0 0 "[ . 1 . ]" 2
4 1 2 A H61 1 32 U O4 1.920 . 2.120 1.942 1.936 1.946 . 0 0 "[ . 1 . ]" 2
5 1 5 A N1 1 29 U N3 2.730 2.530 2.930 2.743 2.738 2.750 . 0 0 "[ . 1 . ]" 2
6 1 5 A N6 1 29 U O4 2.920 2.720 3.120 2.826 2.817 2.834 . 0 0 "[ . 1 . ]" 2
7 1 5 A N1 1 29 U H3 1.730 . 1.930 1.748 1.743 1.760 . 0 0 "[ . 1 . ]" 2
8 1 5 A H61 1 29 U O4 1.920 . 2.120 1.996 1.986 2.009 . 0 0 "[ . 1 . ]" 2
9 1 7 A N1 1 27 U N3 2.730 2.530 2.930 2.785 2.773 2.793 . 0 0 "[ . 1 . ]" 2
10 1 7 A N6 1 27 U O4 2.920 2.720 3.120 2.845 2.835 2.861 . 0 0 "[ . 1 . ]" 2
11 1 7 A N1 1 27 U H3 1.730 . 1.930 1.782 1.770 1.791 . 0 0 "[ . 1 . ]" 2
12 1 7 A H61 1 27 U O4 1.920 . 2.120 1.927 1.923 1.934 . 0 0 "[ . 1 . ]" 2
13 1 8 A N1 1 26 U N3 2.730 2.530 2.930 2.742 2.736 2.749 . 0 0 "[ . 1 . ]" 2
14 1 8 A N6 1 26 U O4 2.920 2.720 3.120 2.849 2.839 2.863 . 0 0 "[ . 1 . ]" 2
15 1 8 A N1 1 26 U H3 1.730 . 1.930 1.744 1.734 1.753 . 0 0 "[ . 1 . ]" 2
16 1 8 A H61 1 26 U O4 1.920 . 2.120 1.958 1.952 1.964 . 0 0 "[ . 1 . ]" 2
17 1 3 G N1 1 31 C N3 2.950 2.750 3.150 2.922 2.905 2.934 . 0 0 "[ . 1 . ]" 2
18 1 3 G O6 1 31 C N4 2.910 2.710 3.110 2.929 2.921 2.937 . 0 0 "[ . 1 . ]" 2
19 1 3 G N2 1 31 C O2 2.860 2.660 3.060 2.907 2.897 2.917 . 0 0 "[ . 1 . ]" 2
20 1 3 G H1 1 31 C N3 1.950 . 2.150 1.924 1.909 1.935 . 0 0 "[ . 1 . ]" 2
21 1 3 G O6 1 31 C H41 1.950 . 2.150 1.938 1.932 1.950 . 0 0 "[ . 1 . ]" 2
22 1 3 G H21 1 31 C O2 1.910 . 2.110 1.913 1.903 1.923 . 0 0 "[ . 1 . ]" 2
23 1 13 G N1 1 22 C N3 2.950 2.750 3.150 2.926 2.905 2.957 . 0 0 "[ . 1 . ]" 2
24 1 13 G O6 1 22 C N4 2.910 2.710 3.110 2.888 2.876 2.911 . 0 0 "[ . 1 . ]" 2
25 1 13 G N2 1 22 C O2 2.860 2.660 3.060 2.875 2.855 2.895 . 0 0 "[ . 1 . ]" 2
26 1 13 G H1 1 22 C N3 1.950 . 2.150 1.973 1.961 1.981 . 0 0 "[ . 1 . ]" 2
27 1 13 G O6 1 22 C H41 1.950 . 2.150 1.932 1.912 1.954 . 0 0 "[ . 1 . ]" 2
28 1 13 G H21 1 22 C O2 1.910 . 2.110 1.899 1.883 1.912 . 0 0 "[ . 1 . ]" 2
29 1 14 G N1 1 21 C N3 2.950 2.750 3.150 2.949 2.931 2.966 . 0 0 "[ . 1 . ]" 2
30 1 14 G O6 1 21 C N4 2.910 2.710 3.110 2.915 2.912 2.918 . 0 0 "[ . 1 . ]" 2
31 1 14 G N2 1 21 C O2 2.860 2.660 3.060 2.892 2.885 2.898 . 0 0 "[ . 1 . ]" 2
32 1 14 G H1 1 21 C N3 1.950 . 2.150 1.945 1.929 1.963 . 0 0 "[ . 1 . ]" 2
33 1 14 G O6 1 21 C H41 1.950 . 2.150 1.917 1.909 1.929 . 0 0 "[ . 1 . ]" 2
34 1 14 G H21 1 21 C O2 1.910 . 2.110 1.901 1.891 1.912 . 0 0 "[ . 1 . ]" 2
35 1 15 C N3 1 20 G N1 2.950 2.750 3.150 2.933 2.927 2.945 . 0 0 "[ . 1 . ]" 2
36 1 15 C N4 1 20 G O6 2.910 2.710 3.110 2.918 2.913 2.922 . 0 0 "[ . 1 . ]" 2
37 1 15 C O2 1 20 G N2 2.860 2.660 3.060 2.890 2.875 2.897 . 0 0 "[ . 1 . ]" 2
38 1 15 C N3 1 20 G H1 1.950 . 2.150 1.946 1.936 1.969 . 0 0 "[ . 1 . ]" 2
39 1 15 C H41 1 20 G O6 1.950 . 2.150 1.935 1.931 1.941 . 0 0 "[ . 1 . ]" 2
40 1 15 C O2 1 20 G H21 1.910 . 2.110 1.911 1.877 1.921 . 0 0 "[ . 1 . ]" 2
41 1 16 U O2 1 19 G H1 2.500 . 3.000 2.342 2.317 2.387 . 0 0 "[ . 1 . ]" 2
42 1 16 U O2 1 19 G H21 2.500 . 3.000 2.599 2.486 2.676 . 0 0 "[ . 1 . ]" 2
stop_
save_
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