NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
605753 |
2n6t   |
25781 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n6t
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 472
_Distance_constraint_stats_list.Viol_count 1102
_Distance_constraint_stats_list.Viol_total 6211.103
_Distance_constraint_stats_list.Viol_max 2.073
_Distance_constraint_stats_list.Viol_rms 0.3800
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1316
_Distance_constraint_stats_list.Viol_average_violations_only 0.5636
_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 12.115 1.298 10 10 [********-+]
1 2 G 30.034 2.025 8 10 [*****-*+**]
1 3 G 22.751 2.025 8 10 [*****-*+**]
1 4 U 17.991 2.019 6 6 "[** *.+ -*1]"
1 5 A 23.176 2.019 6 10 [*****+**-*]
1 6 G 1.553 0.283 7 0 "[ . 1]"
1 7 A 25.181 1.945 8 9 [******-+*1]
1 8 G 33.197 1.945 8 10 [-******+**]
1 9 U 25.886 1.998 8 10 [*******+*-]
1 10 A 45.802 1.998 8 10 [*******+*-]
1 11 U 26.770 1.961 10 10 [********-+]
1 12 A 20.845 1.986 5 10 [****+****-]
1 13 A 38.064 1.986 5 10 [****+****-]
1 14 U 25.315 1.974 5 10 [****+***-*]
1 15 U 17.751 1.964 9 10 [********+-]
1 16 A 31.864 1.995 7 10 [***-**+***]
1 17 G 27.671 1.995 7 10 [*****-+***]
1 18 U 16.087 1.578 6 9 "[* ***+*-**]"
1 19 C 29.057 1.997 10 10 [-********+]
1 20 U 61.408 1.997 10 10 [*-*******+]
1 21 U 43.348 1.996 7 10 [***-**+***]
1 22 C 25.259 2.034 6 10 [*****+****]
1 23 G 19.697 1.822 2 10 [*+********]
1 24 G 28.428 2.004 5 10 [****+-****]
1 25 A 32.590 2.004 5 10 [****+*****]
1 26 C 21.946 1.833 8 10 [-******+**]
1 27 U 43.511 2.057 1 10 [+*********]
1 28 U 64.393 2.073 5 10 [***-+*****]
1 29 C 36.071 2.073 5 10 [****+***-*]
1 30 C 14.900 1.217 6 9 [****.+**-*]
1 31 U 20.752 1.685 4 9 "[* -+******]"
1 32 U 12.639 1.685 4 8 "[* -+* ****]"
1 33 A 12.387 1.417 1 7 "[+* *. *-**]"
1 34 U 21.183 1.979 2 9 [*+******-1]
1 35 A 25.798 1.979 2 10 [*+******-*]
1 36 C 12.892 1.887 6 7 "[***-*+ *]"
1 37 U 7.226 1.999 4 5 "[** +- *]"
1 38 U 25.172 1.999 4 9 "[***+-** **]"
1 39 A 34.317 1.921 5 10 [****+***-*]
1 40 U 34.662 1.683 8 10 [*******+*-]
1 41 C 30.926 1.789 10 10 [********-+]
1 42 C 15.343 1.789 10 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 1 G H3' 1 1 G H8 1.800 . 4.000 3.582 3.392 3.737 . 0 0 "[ . 1]" 1
2 1 1 G H1' 1 1 G H8 1.800 . 5.000 3.711 3.664 3.747 . 0 0 "[ . 1]" 1
3 1 1 G H8 1 2 G H8 1.800 . 6.500 5.995 5.773 6.130 . 0 0 "[ . 1]" 1
4 1 1 G H8 1 1 G HO2' 1.800 . 5.000 5.412 5.228 5.721 0.721 3 3 "[* + . -1]" 1
5 1 2 G H1' 1 3 G H1' 1.800 . 6.500 4.801 4.683 4.936 . 0 0 "[ . 1]" 1
6 1 1 G H1' 1 2 G H8 1.800 . 5.000 4.940 4.855 5.034 0.034 10 0 "[ . 1]" 1
7 1 2 G H1' 1 2 G H8 1.800 . 5.000 3.819 3.798 3.840 . 0 0 "[ . 1]" 1
8 1 1 G H1' 1 2 G H1' 1.800 . 6.500 6.147 5.873 6.381 . 0 0 "[ . 1]" 1
9 1 2 G H8 1 3 G H8 1.800 . 6.500 4.244 3.926 4.484 . 0 0 "[ . 1]" 1
10 1 2 G H1 1 41 C H41 1.800 . 3.500 2.848 2.720 3.093 . 0 0 "[ . 1]" 1
11 1 2 G H1 1 41 C H6 3.500 3.500 6.500 5.703 5.647 5.750 . 0 0 "[ . 1]" 1
12 1 2 G H1 1 41 C H42 1.800 . 4.500 4.303 4.194 4.523 0.023 2 0 "[ . 1]" 1
13 1 2 G H1 1 3 G H1' 1.800 . 6.000 4.662 4.015 4.955 . 0 0 "[ . 1]" 1
14 1 2 G H1 1 41 C H5 1.800 . 6.000 5.175 5.091 5.319 . 0 0 "[ . 1]" 1
15 1 2 G H1 1 42 C H1' 1.800 . 6.000 5.537 5.072 5.809 . 0 0 "[ . 1]" 1
16 1 2 G H1 1 42 C H5 1.800 . 6.000 5.769 5.335 6.020 0.020 4 0 "[ . 1]" 1
17 1 2 G H1 1 3 G H8 3.500 3.500 6.500 6.439 6.249 6.568 0.068 8 0 "[ . 1]" 1
18 1 1 G HO2' 1 2 G H8 1.800 . 3.000 3.634 2.617 4.298 1.298 10 8 "[ * *****-+]" 1
19 1 1 G HO2' 1 2 G H1' 1.800 . 5.000 4.603 3.574 5.452 0.452 4 0 "[ . 1]" 1
20 1 2 G H8 1 2 G HO2' 1.800 . 5.000 5.205 5.106 5.450 0.450 9 0 "[ . 1]" 1
21 1 3 G H3' 1 3 G H8 1.800 . 5.000 3.521 3.336 3.632 . 0 0 "[ . 1]" 1
22 1 2 G H1' 1 3 G H8 1.800 . 5.000 4.885 4.780 4.960 . 0 0 "[ . 1]" 1
23 1 3 G H1' 1 3 G H8 1.800 . 5.000 3.788 3.774 3.811 . 0 0 "[ . 1]" 1
24 1 3 G H1' 1 4 U H1' 1.800 . 6.500 5.781 5.398 5.990 . 0 0 "[ . 1]" 1
25 1 3 G H1' 1 4 U H5 1.800 . 6.500 5.111 4.849 5.355 . 0 0 "[ . 1]" 1
26 1 3 G H8 1 4 U H5 1.800 . 6.500 5.063 4.788 5.779 . 0 0 "[ . 1]" 1
27 1 2 G HO2' 1 3 G H8 1.800 . 3.000 4.807 4.170 5.025 2.025 8 10 [*******+-*] 1
28 1 2 G HO2' 1 3 G H1' 1.800 . 5.000 4.864 3.587 5.538 0.538 6 1 "[ .+ 1]" 1
29 1 3 G H3' 1 4 U H6 1.800 . 5.000 3.937 3.830 4.333 . 0 0 "[ . 1]" 1
30 1 4 U H3' 1 4 U H6 1.800 . 4.000 3.124 2.857 3.767 . 0 0 "[ . 1]" 1
31 1 3 G H1' 1 4 U H6 1.800 . 5.000 4.493 4.066 4.704 . 0 0 "[ . 1]" 1
32 1 3 G H8 1 4 U H6 1.800 . 6.500 5.950 5.814 6.084 . 0 0 "[ . 1]" 1
33 1 4 U H1' 1 4 U H6 1.800 . 6.500 3.573 3.455 3.616 . 0 0 "[ . 1]" 1
34 1 4 U H1' 1 4 U H5 1.800 . 6.500 5.324 5.225 5.359 . 0 0 "[ . 1]" 1
35 1 3 G HO2' 1 4 U H6 1.800 . 3.000 2.978 2.185 3.677 0.677 9 2 "[ . -+1]" 1
36 1 3 G HO2' 1 4 U H1' 1.800 . 5.000 4.118 3.284 5.076 0.076 9 0 "[ . 1]" 1
37 1 4 U H6 1 4 U HO2' 1.800 . 5.000 5.037 4.907 5.224 0.224 7 0 "[ . 1]" 1
38 1 4 U HO2' 1 5 A HO2' 1.800 . 6.500 6.394 5.105 7.340 0.840 6 2 "[ .+ - 1]" 1
39 1 5 A H2 1 39 A H1' 1.800 . 5.000 4.327 3.599 4.974 . 0 0 "[ . 1]" 1
40 1 5 A H2 1 6 G H1' 1.800 . 6.500 5.126 3.757 6.638 0.138 1 0 "[ . 1]" 1
41 1 4 U HO2' 1 5 A H1' 1.800 . 6.500 4.458 3.334 5.676 . 0 0 "[ . 1]" 1
42 1 4 U H3' 1 5 A H8 1.800 . 5.000 3.594 2.920 4.429 . 0 0 "[ . 1]" 1
43 1 4 U H1' 1 5 A H8 1.800 . 5.000 4.821 3.849 5.171 0.171 8 0 "[ . 1]" 1
44 1 5 A H1' 1 5 A H8 1.800 . 5.000 3.878 3.780 3.915 . 0 0 "[ . 1]" 1
45 1 4 U H1' 1 5 A H1' 1.800 . 6.500 5.699 5.174 6.344 . 0 0 "[ . 1]" 1
46 1 4 U H6 1 5 A H8 1.800 . 6.500 5.268 4.695 6.203 . 0 0 "[ . 1]" 1
47 1 5 A H8 1 6 G H8 1.800 . 6.500 5.890 4.746 6.526 0.026 6 0 "[ . 1]" 1
48 1 4 U HO2' 1 5 A H8 1.800 . 3.000 3.893 1.921 5.019 2.019 6 6 "[-* *.+ **1]" 1
49 1 5 A H8 1 5 A HO2' 1.800 . 4.000 4.808 4.097 5.359 1.359 7 8 "[*** **+ -*]" 1
50 1 6 G H1' 1 6 G H8 1.800 . 6.500 3.868 3.640 3.931 . 0 0 "[ . 1]" 1
51 1 5 A HO2' 1 6 G H8 1.800 . 5.000 3.411 1.897 5.283 0.283 7 0 "[ . 1]" 1
52 1 7 A H2 1 38 U H1' 1.800 . 4.000 3.719 3.211 4.170 0.170 1 0 "[ . 1]" 1
53 1 7 A H2 1 8 G H1' 1.800 . 4.000 3.507 2.597 4.151 0.151 10 0 "[ . 1]" 1
54 1 7 A H1' 1 7 A H8 1.800 . 5.000 3.698 3.623 3.818 . 0 0 "[ . 1]" 1
55 1 6 G H1' 1 7 A H8 1.800 . 6.500 4.279 3.008 5.632 . 0 0 "[ . 1]" 1
56 1 6 G H8 1 7 A H8 1.800 . 6.500 6.296 5.766 6.554 0.054 5 0 "[ . 1]" 1
57 1 7 A H1' 1 7 A H2 1.800 . 6.500 4.803 4.637 4.967 . 0 0 "[ . 1]" 1
58 1 7 A H2 1 8 G H8 1.800 . 6.500 5.331 4.242 5.940 . 0 0 "[ . 1]" 1
59 1 7 A H8 1 8 G H8 1.800 . 6.500 4.971 3.757 5.838 . 0 0 "[ . 1]" 1
60 1 7 A H2 1 37 U H1' 1.800 . 6.500 6.328 5.726 6.629 0.129 5 0 "[ . 1]" 1
61 1 6 G HO2' 1 7 A H8 1.800 . 5.000 2.831 1.872 3.974 . 0 0 "[ . 1]" 1
62 1 7 A H8 1 7 A HO2' 1.800 . 5.000 5.289 5.135 5.463 0.463 7 0 "[ . 1]" 1
63 1 7 A H1' 1 8 G H8 1.800 . 5.000 4.868 4.529 5.059 0.059 4 0 "[ . 1]" 1
64 1 8 G H1' 1 8 G H8 1.800 . 5.000 3.764 3.676 3.815 . 0 0 "[ . 1]" 1
65 1 8 G H1' 1 9 U H1' 1.800 . 6.500 5.504 4.903 5.939 . 0 0 "[ . 1]" 1
66 1 8 G H1' 1 9 U H5 1.800 . 6.500 5.442 5.009 6.065 . 0 0 "[ . 1]" 1
67 1 8 G H8 1 9 U H5 1.800 . 6.500 4.902 4.527 5.319 . 0 0 "[ . 1]" 1
68 1 8 G H1 1 36 C H41 1.800 . 3.500 2.436 1.926 2.950 . 0 0 "[ . 1]" 1
69 1 8 G H1 1 36 C H6 3.500 3.500 6.500 5.663 5.536 5.781 . 0 0 "[ . 1]" 1
70 1 8 G H1 1 36 C H42 1.800 . 4.500 3.918 3.503 4.352 . 0 0 "[ . 1]" 1
71 1 8 G H1 1 9 U H1' 1.800 . 6.000 5.878 5.398 6.092 0.092 10 0 "[ . 1]" 1
72 1 8 G H1 1 36 C H5 1.800 . 6.000 4.932 4.749 5.148 . 0 0 "[ . 1]" 1
73 1 8 G H1 1 37 U H1' 1.800 . 6.000 4.441 3.426 5.254 . 0 0 "[ . 1]" 1
74 1 7 A HO2' 1 8 G H8 1.800 . 3.000 4.644 3.384 4.945 1.945 8 9 [***-***+*1] 1
75 1 7 A HO2' 1 8 G H1' 1.800 . 5.000 5.295 3.859 6.527 1.527 5 4 "[ * + -* 1]" 1
76 1 8 G H8 1 8 G HO2' 1.800 . 5.000 5.309 5.115 5.533 0.533 1 1 "[+ . 1]" 1
77 1 8 G H1' 1 9 U H6 1.800 . 5.000 4.712 4.355 4.996 . 0 0 "[ . 1]" 1
78 1 9 U H1' 1 9 U H6 1.800 . 5.000 3.625 3.593 3.647 . 0 0 "[ . 1]" 1
79 1 8 G H8 1 9 U H6 1.800 . 6.500 5.796 5.198 6.278 . 0 0 "[ . 1]" 1
80 1 9 U H1' 1 9 U H5 1.800 . 6.500 5.368 5.341 5.394 . 0 0 "[ . 1]" 1
81 1 9 U H3 1 35 A H2 1.800 . 3.500 3.006 2.746 3.346 . 0 0 "[ . 1]" 1
82 1 9 U H3 1 35 A H61 1.800 . 4.500 2.340 2.013 2.605 . 0 0 "[ . 1]" 1
83 1 9 U H3 1 35 A H62 1.800 . 4.500 3.770 3.488 3.950 . 0 0 "[ . 1]" 1
84 1 8 G H1 1 9 U H3 1.800 . 6.000 3.761 3.345 4.140 . 0 0 "[ . 1]" 1
85 1 9 U H3 1 9 U H5 1.800 . 6.000 4.215 4.212 4.220 . 0 0 "[ . 1]" 1
86 1 9 U H3 1 10 A H1' 1.800 . 6.000 4.934 4.788 5.100 . 0 0 "[ . 1]" 1
87 1 9 U H3 1 10 A H2 1.800 . 6.000 5.824 5.477 6.028 0.028 8 0 "[ . 1]" 1
88 1 9 U H3 1 10 A H61 1.800 . 6.000 5.324 5.055 5.639 . 0 0 "[ . 1]" 1
89 1 9 U H3 1 34 U H3 1.800 . 6.000 5.865 5.724 6.008 0.008 8 0 "[ . 1]" 1
90 1 9 U H1' 1 9 U H3 3.500 3.500 6.500 4.578 4.546 4.603 . 0 0 "[ . 1]" 1
91 1 9 U H3 1 10 A H8 3.500 3.500 6.500 4.644 4.258 5.228 . 0 0 "[ . 1]" 1
92 1 9 U H3 1 36 C H1' 3.500 3.500 6.500 5.578 4.846 6.149 . 0 0 "[ . 1]" 1
93 1 9 U H3 1 36 C H41 3.500 3.500 6.500 4.620 4.442 5.191 . 0 0 "[ . 1]" 1
94 1 9 U H3 1 36 C H42 3.500 3.500 6.500 5.843 5.693 6.248 . 0 0 "[ . 1]" 1
95 1 9 U H3 1 36 C H5 3.500 3.500 6.500 6.595 6.525 6.669 0.169 9 0 "[ . 1]" 1
96 1 8 G HO2' 1 9 U H6 1.800 . 3.000 3.529 2.085 4.634 1.634 9 5 "[ * *- +*]" 1
97 1 8 G HO2' 1 9 U H1' 1.800 . 5.000 4.316 3.302 5.442 0.442 10 0 "[ . 1]" 1
98 1 9 U H6 1 9 U HO2' 1.800 . 5.000 4.980 4.848 5.176 0.176 10 0 "[ . 1]" 1
99 1 10 A H8 1 11 U H6 1.800 . 6.500 4.769 4.332 4.997 . 0 0 "[ . 1]" 1
100 1 10 A H2 1 11 U H1' 1.800 . 3.000 3.151 3.064 3.234 0.234 9 0 "[ . 1]" 1
101 1 10 A H2 1 35 A H1' 1.800 . 4.500 4.562 4.483 4.618 0.118 3 0 "[ . 1]" 1
102 1 9 U H1' 1 10 A H8 1.800 . 5.000 4.717 4.544 4.950 . 0 0 "[ . 1]" 1
103 1 10 A H1' 1 10 A H8 1.800 . 5.000 3.803 3.778 3.817 . 0 0 "[ . 1]" 1
104 1 9 U H6 1 10 A H8 1.800 . 6.500 4.206 3.938 4.587 . 0 0 "[ . 1]" 1
105 1 10 A H1' 1 10 A H2 1.800 . 6.500 4.637 4.596 4.669 . 0 0 "[ . 1]" 1
106 1 10 A H1' 1 11 U H5 1.800 . 6.500 5.946 5.804 6.069 . 0 0 "[ . 1]" 1
107 1 10 A H2 1 11 U H5 1.800 . 6.500 6.285 6.124 6.512 0.012 10 0 "[ . 1]" 1
108 1 10 A H8 1 11 U H5 1.800 . 6.500 4.070 3.559 4.461 . 0 0 "[ . 1]" 1
109 1 9 U HO2' 1 10 A H8 1.800 . 3.000 4.608 3.755 4.998 1.998 8 10 [*******+*-] 1
110 1 10 A H8 1 10 A HO2' 1.800 . 5.000 5.344 5.244 5.578 0.578 9 1 "[ . +1]" 1
111 1 10 A HO2' 1 11 U HO2' 1.800 . 6.500 6.662 5.801 7.544 1.044 6 2 "[ .+ -]" 1
112 1 10 A H8 1 35 A H2 1.800 . 6.500 5.256 4.939 5.740 . 0 0 "[ . 1]" 1
113 1 10 A H1' 1 11 U H6 1.800 . 5.000 4.944 4.871 4.988 . 0 0 "[ . 1]" 1
114 1 11 U H1' 1 11 U H6 1.800 . 5.000 3.705 3.677 3.731 . 0 0 "[ . 1]" 1
115 1 10 A H2 1 11 U H6 1.800 . 6.500 5.441 5.346 5.597 . 0 0 "[ . 1]" 1
116 1 11 U H1' 1 11 U H5 1.800 . 6.500 5.420 5.400 5.440 . 0 0 "[ . 1]" 1
117 1 11 U H3 1 33 A H2 1.800 . 3.500 2.990 2.790 3.203 . 0 0 "[ . 1]" 1
118 1 11 U H3 1 33 A H61 1.800 . 4.500 2.203 2.004 2.393 . 0 0 "[ . 1]" 1
119 1 11 U H3 1 33 A H62 1.800 . 4.500 3.644 3.489 3.771 . 0 0 "[ . 1]" 1
120 1 11 U H1' 1 11 U H3 3.500 3.500 6.500 4.503 4.479 4.536 . 0 0 "[ . 1]" 1
121 1 11 U H3 1 12 A H1' 3.500 3.500 6.500 6.480 6.366 6.589 0.089 1 0 "[ . 1]" 1
122 1 11 U H3 1 32 U H3 3.500 3.500 6.500 5.829 5.656 6.087 . 0 0 "[ . 1]" 1
123 1 10 A HO2' 1 11 U H6 1.800 . 3.000 4.753 4.226 4.961 1.961 10 10 [*******-*+] 1
124 1 10 A HO2' 1 11 U H1' 1.800 . 5.000 5.007 4.031 5.491 0.491 9 0 "[ . 1]" 1
125 1 11 U H6 1 11 U HO2' 1.800 . 5.000 5.021 4.897 5.255 0.255 6 0 "[ . 1]" 1
126 1 11 U HO2' 1 12 A HO2' 1.800 . 6.500 5.969 5.387 6.694 0.194 1 0 "[ . 1]" 1
127 1 12 A H2 1 13 A H1' 1.800 . 4.000 3.864 3.587 4.066 0.066 10 0 "[ . 1]" 1
128 1 12 A H2 1 33 A H1' 1.800 . 3.000 3.110 3.065 3.145 0.145 6 0 "[ . 1]" 1
129 1 11 U H1' 1 12 A H8 1.800 . 5.000 4.391 4.194 4.548 . 0 0 "[ . 1]" 1
130 1 12 A H1' 1 12 A H8 1.800 . 5.000 3.798 3.766 3.821 . 0 0 "[ . 1]" 1
131 1 11 U H1' 1 12 A H1' 1.800 . 6.500 5.503 5.341 5.726 . 0 0 "[ . 1]" 1
132 1 11 U H6 1 12 A H8 1.800 . 6.500 5.221 4.974 5.484 . 0 0 "[ . 1]" 1
133 1 12 A H1' 1 12 A H2 1.800 . 6.500 4.628 4.583 4.697 . 0 0 "[ . 1]" 1
134 1 12 A H1' 1 13 A H1' 1.800 . 6.500 5.095 4.943 5.230 . 0 0 "[ . 1]" 1
135 1 12 A H8 1 13 A H8 1.800 . 6.500 4.491 4.285 4.905 . 0 0 "[ . 1]" 1
136 1 12 A H2 1 32 U H1' 1.800 . 6.500 5.040 4.806 5.325 . 0 0 "[ . 1]" 1
137 1 12 A H8 1 33 A H2 1.800 . 6.500 4.852 4.712 4.961 . 0 0 "[ . 1]" 1
138 1 11 U HO2' 1 12 A H8 1.800 . 3.000 3.141 2.267 3.872 0.872 4 2 "[ +. -1]" 1
139 1 11 U HO2' 1 12 A H1' 1.800 . 5.000 3.972 3.609 4.683 . 0 0 "[ . 1]" 1
140 1 12 A H8 1 12 A HO2' 1.800 . 5.000 5.272 5.169 5.395 0.395 8 0 "[ . 1]" 1
141 1 13 A H2 1 31 U H1' 1.800 . 6.500 6.243 5.721 6.561 0.061 1 0 "[ . 1]" 1
142 1 13 A H1' 1 14 U H1' 1.800 . 6.500 5.140 4.969 5.397 . 0 0 "[ . 1]" 1
143 1 13 A H2 1 14 U H1' 1.800 . 4.000 3.879 3.637 4.264 0.264 2 0 "[ . 1]" 1
144 1 13 A H2 1 32 U H1' 1.800 . 4.000 4.104 4.036 4.148 0.148 6 0 "[ . 1]" 1
145 1 12 A H1' 1 13 A H8 1.800 . 5.000 4.924 4.851 4.995 . 0 0 "[ . 1]" 1
146 1 12 A H2 1 13 A H2 1.800 . 5.000 4.792 4.641 4.875 . 0 0 "[ . 1]" 1
147 1 13 A H1' 1 13 A H8 1.800 . 5.000 3.829 3.814 3.847 . 0 0 "[ . 1]" 1
148 1 12 A H2 1 13 A H8 1.800 . 6.500 5.992 5.760 6.141 . 0 0 "[ . 1]" 1
149 1 13 A H1' 1 14 U H5 1.800 . 6.500 5.990 5.679 6.143 . 0 0 "[ . 1]" 1
150 1 13 A H8 1 14 U H5 1.800 . 6.500 3.326 2.333 3.775 . 0 0 "[ . 1]" 1
151 1 13 A H2 1 14 U H6 1.800 . 6.500 6.530 6.021 6.765 0.265 10 0 "[ . 1]" 1
152 1 13 A H8 1 14 U H6 1.800 . 6.500 3.963 2.784 4.467 . 0 0 "[ . 1]" 1
153 1 13 A H2 1 32 U H6 1.800 . 6.500 5.294 4.944 5.641 . 0 0 "[ . 1]" 1
154 1 12 A HO2' 1 13 A H8 1.800 . 3.000 4.251 3.519 4.986 1.986 5 10 [****+****-] 1
155 1 12 A HO2' 1 13 A H1' 1.800 . 5.000 4.037 3.183 5.407 0.407 5 0 "[ . 1]" 1
156 1 13 A H8 1 13 A HO2' 1.800 . 5.000 5.348 5.226 5.627 0.627 8 2 "[ - . + 1]" 1
157 1 13 A HO2' 1 14 U HO2' 1.800 . 6.500 6.301 5.045 7.349 0.849 1 1 "[+ . 1]" 1
158 1 13 A HO2' 1 14 U H6 1.800 . 3.000 4.650 4.124 4.974 1.974 5 10 [****+****-] 1
159 1 13 A H1' 1 14 U H6 1.800 . 6.500 4.860 4.232 5.108 . 0 0 "[ . 1]" 1
160 1 14 U H1' 1 14 U H6 1.800 . 6.500 3.600 3.347 3.678 . 0 0 "[ . 1]" 1
161 1 14 U H6 1 14 U HO2' 1.800 . 5.000 5.097 4.868 5.867 0.867 2 1 "[ + . 1]" 1
162 1 14 U HO2' 1 15 U H5 1.800 . 5.000 4.262 3.134 5.846 0.846 9 1 "[ . +1]" 1
163 1 14 U HO2' 1 15 U H1' 1.800 . 6.500 5.018 4.183 7.481 0.981 9 1 "[ . +1]" 1
164 1 15 U H1' 1 15 U H6 1.800 . 5.000 3.462 3.334 3.752 . 0 0 "[ . 1]" 1
165 1 14 U H1' 1 15 U H6 1.800 . 6.500 3.937 3.427 5.619 . 0 0 "[ . 1]" 1
166 1 14 U H5 1 15 U H5 1.800 . 6.500 5.409 4.075 6.562 0.062 8 0 "[ . 1]" 1
167 1 14 U H6 1 15 U H6 1.800 . 6.500 5.692 4.848 6.624 0.124 8 0 "[ . 1]" 1
168 1 15 U H1' 1 15 U H5 1.800 . 6.500 5.252 5.153 5.465 . 0 0 "[ . 1]" 1
169 1 14 U HO2' 1 15 U H6 1.800 . 3.000 2.728 2.023 4.964 1.964 9 1 "[ . +1]" 1
170 1 15 U H6 1 15 U HO2' 1.800 . 5.000 5.357 4.910 5.781 0.781 3 4 "[ +*.* -]" 1
171 1 15 U HO2' 1 16 A H1' 1.800 . 5.000 4.236 3.362 5.354 0.354 5 0 "[ . 1]" 1
172 1 16 A H2 1 17 G H1' 1.800 . 4.000 3.108 2.395 4.119 0.119 1 0 "[ . 1]" 1
173 1 16 A H2 1 28 U H1' 1.800 . 3.000 2.994 2.569 3.197 0.197 1 0 "[ . 1]" 1
174 1 15 U H1' 1 16 A H8 1.800 . 5.000 4.985 4.163 5.202 0.202 1 0 "[ . 1]" 1
175 1 16 A H1' 1 16 A H8 1.800 . 5.000 3.780 3.714 3.889 . 0 0 "[ . 1]" 1
176 1 15 U H1' 1 16 A H1' 1.800 . 6.500 5.518 2.874 6.300 . 0 0 "[ . 1]" 1
177 1 15 U H6 1 16 A H8 1.800 . 6.500 5.394 4.571 5.893 . 0 0 "[ . 1]" 1
178 1 16 A H1' 1 17 G H1' 1.800 . 6.500 4.722 4.488 4.955 . 0 0 "[ . 1]" 1
179 1 16 A H8 1 17 G H8 1.800 . 6.500 4.548 3.966 5.285 . 0 0 "[ . 1]" 1
180 1 15 U HO2' 1 16 A H8 1.800 . 3.000 3.877 2.731 4.676 1.676 2 9 "[*+*-**** *]" 1
181 1 16 A H8 1 16 A HO2' 1.800 . 5.000 5.267 5.144 5.353 0.353 9 0 "[ . 1]" 1
182 1 16 A H2 1 29 C H1' 1.800 . 6.500 6.531 6.439 6.584 0.084 1 0 "[ . 1]" 1
183 1 16 A H2 1 17 G H8 1.800 . 6.500 5.672 4.939 6.522 0.022 1 0 "[ . 1]" 1
184 1 16 A H1' 1 17 G H8 1.800 . 5.000 4.847 4.592 5.046 0.046 6 0 "[ . 1]" 1
185 1 17 G H1' 1 17 G H8 1.800 . 5.000 3.739 3.612 3.852 . 0 0 "[ . 1]" 1
186 1 17 G H1' 1 18 U H5 1.800 . 6.500 5.821 4.981 6.437 . 0 0 "[ . 1]" 1
187 1 17 G H8 1 18 U H5 1.800 . 6.500 5.321 4.795 5.877 . 0 0 "[ . 1]" 1
188 1 17 G H1 1 26 C H41 1.800 . 3.500 2.419 1.951 3.020 . 0 0 "[ . 1]" 1
189 1 17 G H1 1 26 C H42 1.800 . 4.500 3.883 3.550 4.439 . 0 0 "[ . 1]" 1
190 1 16 A H2 1 17 G H1 3.500 3.500 6.500 5.908 5.407 6.347 . 0 0 "[ . 1]" 1
191 1 17 G H1 1 25 A H2 3.500 3.500 6.500 5.260 4.179 6.162 . 0 0 "[ . 1]" 1
192 1 17 G H1 1 25 A H61 3.500 3.500 6.500 4.589 4.220 4.995 . 0 0 "[ . 1]" 1
193 1 17 G H1 1 25 A H62 3.500 3.500 6.500 5.309 4.858 5.972 . 0 0 "[ . 1]" 1
194 1 17 G H1 1 26 C H1' 3.500 3.500 6.500 5.243 4.871 5.677 . 0 0 "[ . 1]" 1
195 1 17 G H1 1 26 C H5 3.500 3.500 6.500 4.889 4.787 5.238 . 0 0 "[ . 1]" 1
196 1 17 G H1 1 27 U H1' 1.800 . 6.000 5.778 5.426 6.035 0.035 10 0 "[ . 1]" 1
197 1 17 G H1 1 27 U H3 3.500 3.500 6.500 3.792 3.447 4.197 0.053 1 0 "[ . 1]" 1
198 1 16 A HO2' 1 17 G H8 1.800 . 3.000 4.663 4.104 4.995 1.995 7 10 [*-****+***] 1
199 1 16 A HO2' 1 17 G H1' 1.800 . 5.000 4.431 3.304 5.435 0.435 5 0 "[ . 1]" 1
200 1 17 G H8 1 17 G HO2' 1.800 . 5.000 5.470 5.189 5.992 0.992 10 5 "[ **- *+]" 1
201 1 18 U H3 1 19 C H1' 3.500 3.500 6.500 6.096 5.593 6.518 0.018 8 0 "[ . 1]" 1
202 1 17 G H1' 1 18 U H6 1.800 . 5.000 4.864 4.399 5.052 0.052 3 0 "[ . 1]" 1
203 1 18 U H1' 1 18 U H6 1.800 . 5.000 3.595 3.542 3.648 . 0 0 "[ . 1]" 1
204 1 17 G H8 1 18 U H6 1.800 . 6.500 5.884 5.494 6.180 . 0 0 "[ . 1]" 1
205 1 18 U H1' 1 18 U H5 1.800 . 6.500 5.347 5.303 5.392 . 0 0 "[ . 1]" 1
206 1 17 G H1 1 18 U H3 1.800 . 6.000 3.853 3.287 4.470 . 0 0 "[ . 1]" 1
207 1 18 U H3 1 25 A H62 1.800 . 4.500 3.655 3.445 4.379 . 0 0 "[ . 1]" 1
208 1 18 U H3 1 25 A H2 1.800 . 3.500 3.153 2.527 3.436 . 0 0 "[ . 1]" 1
209 1 17 G H21 1 18 U H3 3.500 3.500 6.500 3.840 3.500 4.493 0.000 8 0 "[ . 1]" 1
210 1 18 U H3 1 26 C H42 3.500 3.500 6.500 6.307 5.699 6.644 0.144 9 0 "[ . 1]" 1
211 1 18 U H1' 1 18 U H3 1.800 . 6.000 4.582 4.534 4.628 . 0 0 "[ . 1]" 1
212 1 18 U H3 1 19 C H5 3.500 3.500 6.500 4.646 4.046 5.299 . 0 0 "[ . 1]" 1
213 1 18 U H3 1 19 C H41 3.500 3.500 6.500 4.155 3.590 5.254 . 0 0 "[ . 1]" 1
214 1 18 U H3 1 19 C H42 3.500 3.500 6.500 4.236 3.467 5.303 0.033 8 0 "[ . 1]" 1
215 1 18 U H3 1 19 C H6 3.500 3.500 6.500 5.560 5.125 5.882 . 0 0 "[ . 1]" 1
216 1 18 U H3 1 24 G H1 3.500 3.500 6.500 5.395 4.797 6.068 . 0 0 "[ . 1]" 1
217 1 18 U H3 1 26 C H1' 3.500 3.500 6.500 5.134 4.748 5.894 . 0 0 "[ . 1]" 1
218 1 18 U H3 1 26 C H41 1.800 . 6.000 5.118 4.444 5.494 . 0 0 "[ . 1]" 1
219 1 17 G HO2' 1 18 U H6 1.800 . 3.000 3.358 2.062 4.538 1.538 3 3 "[ + - * 1]" 1
220 1 17 G HO2' 1 18 U H1' 1.800 . 5.000 3.755 3.155 4.499 . 0 0 "[ . 1]" 1
221 1 18 U H6 1 18 U HO2' 1.800 . 5.000 5.180 4.961 5.522 0.522 8 1 "[ . + 1]" 1
222 1 18 U H1' 1 19 C H1' 1.800 . 6.500 6.002 5.659 6.412 . 0 0 "[ . 1]" 1
223 1 18 U H6 1 19 C H6 1.800 . 6.500 5.394 4.685 5.869 . 0 0 "[ . 1]" 1
224 1 18 U H1' 1 19 C H6 1.800 . 5.000 4.853 4.612 5.036 0.036 6 0 "[ . 1]" 1
225 1 19 C H1' 1 19 C H6 1.800 . 5.000 3.642 3.615 3.663 . 0 0 "[ . 1]" 1
226 1 19 C H1' 1 19 C H5 1.800 . 6.500 5.384 5.375 5.400 . 0 0 "[ . 1]" 1
227 1 19 C H6 1 20 U H5 1.800 . 6.500 3.471 3.125 3.970 . 0 0 "[ . 1]" 1
228 1 18 U HO2' 1 19 C H6 1.800 . 3.000 3.649 2.295 4.578 1.578 6 6 "[* -*.+ **]" 1
229 1 18 U HO2' 1 19 C H1' 1.800 . 5.000 4.580 3.509 5.659 0.659 1 1 "[+ . 1]" 1
230 1 19 C H6 1 19 C HO2' 1.800 . 5.000 4.981 4.853 5.226 0.226 1 0 "[ . 1]" 1
231 1 20 U H5 1 20 U HO2' 1.800 . 6.500 6.790 6.555 6.932 0.432 2 0 "[ . 1]" 1
232 1 20 U H2' 1 20 U HO2' 1.800 . 3.500 2.347 2.127 2.775 . 0 0 "[ . 1]" 1
233 1 20 U H2' 1 23 G H21 1.800 . 6.000 5.437 4.886 5.745 . 0 0 "[ . 1]" 1
234 1 20 U HO2' 1 21 U H3' 1.800 . 5.000 3.197 2.499 3.967 . 0 0 "[ . 1]" 1
235 1 19 C H1' 1 20 U H6 1.800 . 5.000 5.028 4.878 5.193 0.193 10 0 "[ . 1]" 1
236 1 19 C H5 1 20 U H5 1.800 . 5.000 3.737 3.307 4.669 . 0 0 "[ . 1]" 1
237 1 20 U H1' 1 20 U H6 1.800 . 5.000 3.645 3.613 3.697 . 0 0 "[ . 1]" 1
238 1 19 C H6 1 20 U H6 1.800 . 6.500 4.044 3.633 4.395 . 0 0 "[ . 1]" 1
239 1 20 U H1' 1 20 U H5 1.800 . 6.500 5.388 5.366 5.429 . 0 0 "[ . 1]" 1
240 1 19 C HO2' 1 20 U H6 1.800 . 3.000 4.780 4.265 4.997 1.997 10 10 [-********+] 1
241 1 20 U HO2' 1 21 U HO2' 1.800 . 4.000 4.112 3.357 4.923 0.923 4 1 "[ +. 1]" 1
242 1 20 U H6 1 20 U HO2' 1.800 . 5.000 5.071 4.805 5.303 0.303 7 0 "[ . 1]" 1
243 1 20 U HO2' 1 21 U H5 1.800 . 6.500 4.724 3.797 5.250 . 0 0 "[ . 1]" 1
244 1 20 U H2' 1 21 U H1' 1.800 . 6.000 6.741 6.301 6.902 0.902 5 9 "[***-+*** *]" 1
245 1 20 U H2' 1 21 U H6 1.800 . 4.500 4.398 3.897 4.640 0.140 6 0 "[ . 1]" 1
246 1 20 U H2' 1 21 U HO2' 1.800 . 4.500 6.051 5.260 6.496 1.996 7 10 [**-***+***] 1
247 1 20 U H2' 1 21 U H5 1.800 . 6.000 5.742 5.205 6.162 0.162 6 0 "[ . 1]" 1
248 1 21 U H1' 1 21 U H6 1.800 . 5.000 3.726 3.713 3.738 . 0 0 "[ . 1]" 1
249 1 21 U H6 1 22 C H5 1.800 . 6.500 5.793 5.301 6.052 . 0 0 "[ . 1]" 1
250 1 20 U H1' 1 21 U H5 1.800 . 6.500 5.414 4.501 5.982 . 0 0 "[ . 1]" 1
251 1 20 U H1' 1 21 U H6 1.800 . 6.500 4.956 4.362 5.434 . 0 0 "[ . 1]" 1
252 1 21 U H1' 1 21 U H5 1.800 . 6.500 5.452 5.445 5.463 . 0 0 "[ . 1]" 1
253 1 21 U H6 1 21 U HO2' 1.800 . 3.000 4.547 4.179 4.924 1.924 2 10 [*+***-****] 1
254 1 20 U HO2' 1 21 U H6 1.800 . 5.000 3.325 2.736 3.820 . 0 0 "[ . 1]" 1
255 1 20 U HO2' 1 22 C H6 1.800 . 6.500 4.536 3.914 5.274 . 0 0 "[ . 1]" 1
256 1 20 U HO2' 1 22 C H5 1.800 . 4.000 4.588 3.916 5.353 1.353 8 5 "[ *** +-1]" 1
257 1 20 U H1' 1 22 C H5 1.800 . 6.500 6.165 5.669 6.493 . 0 0 "[ . 1]" 1
258 1 21 U H5'' 1 22 C H5 1.800 . 4.000 2.913 2.566 3.205 . 0 0 "[ . 1]" 1
259 1 21 U H5' 1 22 C H5 1.800 . 5.000 4.602 4.340 4.805 . 0 0 "[ . 1]" 1
260 1 22 C H5 1 22 C HO2' 1.800 . 6.500 6.399 5.896 7.018 0.518 6 1 "[ .+ 1]" 1
261 1 22 C H1' 1 22 C H6 1.800 . 5.000 3.723 3.713 3.733 . 0 0 "[ . 1]" 1
262 1 22 C H6 1 22 C HO2' 1.800 . 3.000 4.639 4.326 5.034 2.034 6 10 [*****+*-**] 1
263 1 21 U HO2' 1 22 C H6 1.800 . 5.000 4.897 4.097 5.735 0.735 8 1 "[ . + 1]" 1
264 1 20 U HO2' 1 23 G H21 1.800 . 6.000 4.746 4.221 5.028 . 0 0 "[ . 1]" 1
265 1 21 U HO2' 1 23 G H1 1.800 . 6.000 4.656 3.859 5.296 . 0 0 "[ . 1]" 1
266 1 22 C H6 1 23 G H1 1.800 . 6.000 4.805 4.613 4.931 . 0 0 "[ . 1]" 1
267 1 23 G H1 1 23 G H3' 3.000 3.000 6.500 5.840 5.716 5.955 . 0 0 "[ . 1]" 1
268 1 22 C H5 1 23 G H1 1.800 . 6.000 5.849 5.446 6.015 0.015 4 0 "[ . 1]" 1
269 1 22 C H4' 1 23 G H8 1.800 . 6.500 5.720 5.514 5.926 . 0 0 "[ . 1]" 1
270 1 22 C H4' 1 23 G H5' 1.800 . 6.500 3.941 3.843 4.115 . 0 0 "[ . 1]" 1
271 1 22 C H4' 1 23 G H5'' 1.800 . 3.000 2.441 2.301 2.645 . 0 0 "[ . 1]" 1
272 1 22 C H5' 1 23 G H5' 1.800 . 6.500 6.154 6.016 6.281 . 0 0 "[ . 1]" 1
273 1 22 C H5' 1 23 G H8 1.800 . 6.500 5.081 4.726 5.492 . 0 0 "[ . 1]" 1
274 1 22 C H5'' 1 23 G H8 1.800 . 6.500 6.138 5.588 6.471 . 0 0 "[ . 1]" 1
275 1 23 G H1' 1 23 G H8 1.800 . 3.000 2.612 2.575 2.631 . 0 0 "[ . 1]" 1
276 1 20 U H1' 1 23 G H1 1.800 . 3.500 2.792 2.377 3.060 . 0 0 "[ . 1]" 1
277 1 20 U H2' 1 23 G H1 1.800 . 3.500 4.019 3.823 4.126 0.626 8 8 "[*- ****+ *]" 1
278 1 20 U HO2' 1 23 G H1 1.800 . 4.000 2.729 2.238 3.100 . 0 0 "[ . 1]" 1
279 1 22 C H1' 1 23 G H1 1.800 . 4.500 3.780 3.289 4.506 0.006 9 0 "[ . 1]" 1
280 1 23 G H1 1 24 G H8 3.500 3.500 6.500 6.494 6.317 6.572 0.072 2 0 "[ . 1]" 1
281 1 23 G H1 1 24 G H21 3.500 3.500 6.500 4.762 3.701 5.273 . 0 0 "[ . 1]" 1
282 1 23 G H8 1 23 G HO2' 1.800 . 4.000 4.233 3.679 5.248 1.248 6 3 "[ - .+ *1]" 1
283 1 21 U H1' 1 23 G H8 1.800 . 6.500 4.935 4.461 5.383 . 0 0 "[ . 1]" 1
284 1 20 U H2' 1 24 G H1 1.800 . 6.000 6.125 5.781 6.479 0.479 10 0 "[ . 1]" 1
285 1 24 G H1' 1 24 G H8 1.800 . 5.000 3.810 3.759 3.879 . 0 0 "[ . 1]" 1
286 1 19 C H5 1 24 G H1 1.800 . 6.000 5.219 4.865 5.309 . 0 0 "[ . 1]" 1
287 1 23 G H3' 1 24 G H8 1.800 . 5.000 2.378 2.282 2.679 . 0 0 "[ . 1]" 1
288 1 24 G H8 1 25 A H8 1.800 . 6.500 4.434 3.933 4.853 . 0 0 "[ . 1]" 1
289 1 19 C H41 1 24 G H1 1.800 . 3.500 3.083 2.703 3.279 . 0 0 "[ . 1]" 1
290 1 19 C H42 1 24 G H1 1.800 . 4.500 4.462 4.035 4.602 0.102 8 0 "[ . 1]" 1
291 1 20 U H1' 1 24 G H1 1.800 . 4.000 3.590 3.308 4.048 0.048 9 0 "[ . 1]" 1
292 1 23 G H1 1 24 G H1 3.500 3.500 6.500 3.774 3.436 4.352 0.064 6 0 "[ . 1]" 1
293 1 24 G H1 1 25 A H1' 1.800 . 6.000 5.162 4.521 5.915 . 0 0 "[ . 1]" 1
294 1 24 G H1 1 25 A H2 3.500 3.500 6.500 4.462 4.071 5.227 . 0 0 "[ . 1]" 1
295 1 24 G H1 1 25 A H61 3.500 3.500 6.500 5.303 4.501 5.884 . 0 0 "[ . 1]" 1
296 1 23 G HO2' 1 24 G H1' 1.800 . 4.000 5.049 3.947 5.822 1.822 2 7 "[*+**.* *-]" 1
297 1 23 G HO2' 1 24 G H8 1.800 . 5.000 4.461 4.026 5.068 0.068 4 0 "[ . 1]" 1
298 1 24 G H1' 1 25 A H8 1.800 . 5.000 4.764 4.470 5.003 0.003 4 0 "[ . 1]" 1
299 1 19 C H1' 1 25 A H2 1.800 . 4.000 4.092 4.009 4.181 0.181 1 0 "[ . 1]" 1
300 1 25 A H2 1 26 C H1' 1.800 . 4.000 2.820 2.352 3.899 . 0 0 "[ . 1]" 1
301 1 25 A H1' 1 25 A H8 1.800 . 5.000 3.768 3.730 3.836 . 0 0 "[ . 1]" 1
302 1 25 A H1' 1 26 C H1' 1.800 . 6.500 4.695 4.418 4.880 . 0 0 "[ . 1]" 1
303 1 25 A H1' 1 26 C H5 1.800 . 6.500 6.359 5.719 6.563 0.063 1 0 "[ . 1]" 1
304 1 25 A H8 1 26 C H5 1.800 . 6.500 5.324 4.157 5.916 . 0 0 "[ . 1]" 1
305 1 25 A H8 1 26 C H6 1.800 . 6.500 5.446 4.300 6.316 . 0 0 "[ . 1]" 1
306 1 24 G HO2' 1 25 A H8 1.800 . 3.000 4.496 3.737 5.004 2.004 5 10 [****+-****] 1
307 1 24 G HO2' 1 25 A H1' 1.800 . 5.000 4.294 3.416 5.291 0.291 1 0 "[ . 1]" 1
308 1 25 A H8 1 25 A HO2' 1.800 . 5.000 5.336 5.204 5.550 0.550 10 2 "[ - +]" 1
309 1 25 A H2 1 26 C H6 1.800 . 6.500 5.535 5.109 6.258 . 0 0 "[ . 1]" 1
310 1 25 A H1' 1 26 C H6 1.800 . 5.000 4.951 4.602 5.054 0.054 9 0 "[ . 1]" 1
311 1 26 C H1' 1 26 C H6 1.800 . 5.000 3.619 3.372 3.662 . 0 0 "[ . 1]" 1
312 1 26 C H1' 1 26 C H5 1.800 . 6.500 5.361 5.142 5.398 . 0 0 "[ . 1]" 1
313 1 25 A HO2' 1 26 C H6 1.800 . 3.000 4.176 2.312 4.833 1.833 8 9 [***-.**+**] 1
314 1 25 A HO2' 1 26 C H1' 1.800 . 5.000 4.001 2.875 4.762 . 0 0 "[ . 1]" 1
315 1 26 C H6 1 26 C HO2' 1.800 . 5.000 5.169 4.924 5.569 0.569 8 1 "[ . + 1]" 1
316 1 27 U H1' 1 27 U H6 1.800 . 5.000 3.673 3.658 3.694 . 0 0 "[ . 1]" 1
317 1 27 U H1' 1 27 U H5 1.800 . 6.500 5.404 5.392 5.429 . 0 0 "[ . 1]" 1
318 1 26 C H6 1 27 U H6 1.800 . 6.500 5.643 4.982 6.482 . 0 0 "[ . 1]" 1
319 1 16 A H2 1 27 U H3 1.800 . 3.500 3.250 3.009 3.453 . 0 0 "[ . 1]" 1
320 1 27 U H3 1 28 U H1' 1.800 . 6.000 4.286 3.858 4.768 . 0 0 "[ . 1]" 1
321 1 26 C HO2' 1 27 U H6 1.800 . 3.000 3.280 1.986 4.782 1.782 2 5 "[*+ * -*]" 1
322 1 26 C HO2' 1 27 U H1' 1.800 . 5.000 4.528 3.612 5.504 0.504 1 1 "[+ . 1]" 1
323 1 27 U H6 1 27 U HO2' 1.800 . 5.000 4.905 4.810 5.034 0.034 3 0 "[ . 1]" 1
324 1 27 U H1' 1 28 U H5 1.800 . 6.500 6.467 5.929 6.646 0.146 7 0 "[ . 1]" 1
325 1 27 U HO2' 1 28 U H5 1.800 . 5.000 6.683 5.720 7.055 2.055 7 10 [*-****+***] 1
326 1 27 U HO2' 1 28 U H1' 1.800 . 5.000 4.802 3.448 5.564 0.564 4 1 "[ +. 1]" 1
327 1 28 U H3 1 29 C H5 3.500 3.500 6.500 5.767 4.347 6.552 0.052 10 0 "[ . 1]" 1
328 1 28 U H3 1 29 C H6 3.500 3.500 6.500 5.811 5.076 6.183 . 0 0 "[ . 1]" 1
329 1 27 U H1' 1 28 U H6 1.800 . 5.000 4.937 4.803 5.177 0.177 2 0 "[ . 1]" 1
330 1 27 U H5 1 28 U H5 1.800 . 5.000 4.421 3.619 5.137 0.137 9 0 "[ . 1]" 1
331 1 27 U H6 1 28 U H6 1.800 . 6.500 4.392 4.060 4.899 . 0 0 "[ . 1]" 1
332 1 28 U H1' 1 28 U H6 1.800 . 6.500 3.550 3.475 3.723 . 0 0 "[ . 1]" 1
333 1 27 U HO2' 1 28 U H6 1.800 . 3.000 4.686 4.083 5.057 2.057 1 10 [+-********] 1
334 1 28 U H6 1 28 U HO2' 1.800 . 5.000 5.040 4.830 5.233 0.233 7 0 "[ . 1]" 1
335 1 28 U H6 1 29 C H6 1.800 . 6.500 5.681 4.944 6.017 . 0 0 "[ . 1]" 1
336 1 28 U HO2' 1 29 C H5 1.800 . 5.000 6.039 4.168 6.632 1.632 5 8 "[ **+*-***]" 1
337 1 28 U HO2' 1 29 C H1' 1.800 . 6.500 4.528 3.430 5.459 . 0 0 "[ . 1]" 1
338 1 29 C H1' 1 29 C H6 1.800 . 5.000 3.673 3.484 3.729 . 0 0 "[ . 1]" 1
339 1 28 U H1' 1 29 C H6 1.800 . 6.500 5.117 3.652 5.701 . 0 0 "[ . 1]" 1
340 1 28 U HO2' 1 29 C H6 1.800 . 3.000 4.360 2.613 5.073 2.073 5 8 "[ **+*-***]" 1
341 1 29 C H6 1 29 C HO2' 1.800 . 5.000 4.935 4.755 5.625 0.625 1 1 "[+ . 1]" 1
342 1 28 U HO2' 1 29 C HO2' 1.800 . 6.500 5.990 4.968 6.944 0.444 1 0 "[ . 1]" 1
343 1 29 C H1' 1 30 C H1' 1.800 . 6.500 5.719 4.895 6.404 . 0 0 "[ . 1]" 1
344 1 30 C H1' 1 30 C H6 1.800 . 5.000 3.714 3.662 3.752 . 0 0 "[ . 1]" 1
345 1 29 C H1' 1 30 C H5 1.800 . 6.500 5.571 2.478 6.277 . 0 0 "[ . 1]" 1
346 1 29 C H1' 1 30 C H6 1.800 . 5.000 4.859 2.800 5.186 0.186 9 0 "[ . 1]" 1
347 1 29 C H5 1 30 C H5 1.800 . 6.500 4.095 2.766 6.651 0.151 1 0 "[ . 1]" 1
348 1 29 C H6 1 30 C H6 1.800 . 6.500 4.535 3.777 5.543 . 0 0 "[ . 1]" 1
349 1 29 C HO2' 1 30 C H6 1.800 . 4.000 4.298 2.064 4.967 0.967 8 6 "[ ** .- +**]" 1
350 1 30 C H6 1 30 C HO2' 1.800 . 4.000 4.676 4.001 5.217 1.217 6 7 "[** *.+* *-]" 1
351 1 29 C HO2' 1 30 C H1' 1.800 . 5.000 4.774 3.494 5.785 0.785 3 2 "[ + . -1]" 1
352 1 30 C H1' 1 31 U H6 1.800 . 6.500 4.197 3.285 5.146 . 0 0 "[ . 1]" 1
353 1 31 U H1' 1 31 U H6 1.800 . 5.000 3.630 3.563 3.724 . 0 0 "[ . 1]" 1
354 1 31 U H1' 1 31 U H5 1.800 . 6.500 5.378 5.327 5.447 . 0 0 "[ . 1]" 1
355 1 30 C HO2' 1 31 U H6 6.000 . 12.000 3.738 1.856 6.383 . 0 0 "[ . 1]" 1
356 1 31 U H6 1 31 U HO2' 1.800 . 4.000 4.939 4.418 5.187 1.187 7 9 "[- ****+***]" 1
357 1 30 C HO2' 1 31 U H1' 6.000 . 12.000 6.813 4.549 9.592 . 0 0 "[ . 1]" 1
358 1 13 A H2 1 32 U H3 1.800 . 6.000 3.428 3.163 4.075 . 0 0 "[ . 1]" 1
359 1 31 U H5 1 32 U H3 3.500 3.500 6.500 6.306 5.645 6.554 0.054 2 0 "[ . 1]" 1
360 1 13 A H1' 1 32 U H3 3.500 3.500 6.500 5.461 5.025 5.806 . 0 0 "[ . 1]" 1
361 1 31 U H1' 1 32 U H6 1.800 . 5.000 4.944 4.242 5.130 0.130 3 0 "[ . 1]" 1
362 1 31 U H6 1 32 U H6 1.800 . 6.500 5.010 4.252 5.531 . 0 0 "[ . 1]" 1
363 1 32 U H1' 1 32 U H6 1.800 . 6.500 3.607 3.582 3.649 . 0 0 "[ . 1]" 1
364 1 12 A H2 1 32 U H3 1.800 . 3.500 3.079 2.735 3.340 . 0 0 "[ . 1]" 1
365 1 32 U H3 1 33 A H61 1.800 . 6.000 4.921 4.682 5.186 . 0 0 "[ . 1]" 1
366 1 32 U H1' 1 32 U H3 3.500 3.500 6.500 4.566 4.545 4.579 . 0 0 "[ . 1]" 1
367 1 32 U H3 1 33 A H1' 3.500 3.500 6.500 5.032 4.469 5.271 . 0 0 "[ . 1]" 1
368 1 31 U HO2' 1 32 U H6 1.800 . 3.000 3.844 2.911 4.685 1.685 4 8 "[* *+* *-**]" 1
369 1 31 U HO2' 1 32 U H1' 1.800 . 5.000 4.708 3.890 5.719 0.719 10 2 "[ - . +]" 1
370 1 32 U H6 1 32 U HO2' 1.800 . 5.000 4.996 4.879 5.165 0.165 4 0 "[ . 1]" 1
371 1 12 A H1' 1 33 A H2 1.800 . 4.000 4.070 4.019 4.113 0.113 7 0 "[ . 1]" 1
372 1 33 A H2 1 34 U H1' 1.800 . 4.500 4.603 4.556 4.670 0.170 3 0 "[ . 1]" 1
373 1 12 A H2 1 33 A H2 1.800 . 5.000 4.186 4.006 4.440 . 0 0 "[ . 1]" 1
374 1 32 U H1' 1 33 A H8 1.800 . 5.000 4.856 4.781 5.011 0.011 1 0 "[ . 1]" 1
375 1 33 A H1' 1 33 A H8 1.800 . 5.000 3.837 3.798 3.874 . 0 0 "[ . 1]" 1
376 1 12 A H2 1 33 A H8 1.800 . 6.500 5.264 5.121 5.438 . 0 0 "[ . 1]" 1
377 1 32 U H6 1 33 A H8 1.800 . 6.500 4.531 4.260 5.011 . 0 0 "[ . 1]" 1
378 1 33 A H1' 1 34 U H1' 1.800 . 6.500 5.510 5.267 5.792 . 0 0 "[ . 1]" 1
379 1 33 A H1' 1 34 U H5 1.800 . 6.500 5.145 4.928 5.580 . 0 0 "[ . 1]" 1
380 1 33 A H8 1 34 U H5 1.800 . 6.500 4.646 4.408 4.785 . 0 0 "[ . 1]" 1
381 1 33 A H8 1 34 U H6 1.800 . 6.500 5.751 5.237 5.912 . 0 0 "[ . 1]" 1
382 1 33 A H8 1 33 A HO2' 1.800 . 5.000 5.404 5.193 5.657 0.657 4 4 "[ +. *- *]" 1
383 1 33 A HO2' 1 34 U HO2' 1.800 . 6.500 6.042 4.756 7.359 0.859 1 1 "[+ . 1]" 1
384 1 33 A H1' 1 34 U H6 1.800 . 5.000 4.597 4.396 4.832 . 0 0 "[ . 1]" 1
385 1 10 A H2 1 34 U H3 1.800 . 3.500 2.725 2.645 2.795 . 0 0 "[ . 1]" 1
386 1 10 A H61 1 34 U H3 1.800 . 4.500 2.390 2.291 2.508 . 0 0 "[ . 1]" 1
387 1 10 A H1' 1 34 U H3 3.500 3.500 6.500 6.596 6.552 6.651 0.151 1 0 "[ . 1]" 1
388 1 34 U H3 1 35 A H2 1.800 . 6.000 5.743 5.487 5.955 . 0 0 "[ . 1]" 1
389 1 34 U H3 1 35 A H61 1.800 . 6.000 4.480 4.281 4.733 . 0 0 "[ . 1]" 1
390 1 11 U H1' 1 34 U H3 3.500 3.500 6.500 4.976 4.831 5.091 . 0 0 "[ . 1]" 1
391 1 34 U H3 1 35 A H8 3.500 3.500 6.500 5.190 4.935 5.889 . 0 0 "[ . 1]" 1
392 1 33 A HO2' 1 34 U H6 1.800 . 3.000 3.042 1.895 4.417 1.417 1 3 "[+- . *1]" 1
393 1 33 A HO2' 1 34 U H1' 1.800 . 5.000 4.255 3.198 4.821 . 0 0 "[ . 1]" 1
394 1 33 A H2 1 34 U H6 1.800 . 6.500 5.703 5.545 5.915 . 0 0 "[ . 1]" 1
395 1 10 A H1' 1 35 A H2 1.800 . 3.000 3.137 3.070 3.208 0.208 6 0 "[ . 1]" 1
396 1 35 A H2 1 36 C H1' 1.800 . 4.000 3.973 3.653 4.139 0.139 9 0 "[ . 1]" 1
397 1 10 A H2 1 35 A H2 1.800 . 5.000 4.394 4.187 4.700 . 0 0 "[ . 1]" 1
398 1 35 A H1' 1 35 A H8 1.800 . 5.000 3.851 3.834 3.867 . 0 0 "[ . 1]" 1
399 1 10 A H2 1 35 A H8 1.800 . 6.500 5.719 5.583 5.847 . 0 0 "[ . 1]" 1
400 1 34 U H1' 1 35 A H1' 1.800 . 6.500 5.759 5.564 5.937 . 0 0 "[ . 1]" 1
401 1 35 A H1' 1 36 C H1' 1.800 . 6.500 4.794 4.643 4.925 . 0 0 "[ . 1]" 1
402 1 35 A H1' 1 36 C H5 1.800 . 6.500 6.187 5.874 6.532 0.032 1 0 "[ . 1]" 1
403 1 35 A H8 1 36 C H5 1.800 . 6.500 4.546 4.316 4.794 . 0 0 "[ . 1]" 1
404 1 35 A H8 1 36 C H6 1.800 . 6.500 4.935 4.567 5.277 . 0 0 "[ . 1]" 1
405 1 34 U HO2' 1 35 A H8 1.800 . 3.000 4.105 2.161 4.979 1.979 2 8 "[ +***-***1]" 1
406 1 34 U HO2' 1 35 A H1' 1.800 . 5.000 4.571 3.505 5.696 0.696 8 2 "[ . +-1]" 1
407 1 9 U H1' 1 35 A H2 1.800 . 6.500 5.324 5.167 5.643 . 0 0 "[ . 1]" 1
408 1 35 A H1' 1 36 C H6 1.800 . 5.000 4.980 4.881 5.031 0.031 6 0 "[ . 1]" 1
409 1 35 A H2 1 36 C H6 1.800 . 6.500 6.198 6.081 6.301 . 0 0 "[ . 1]" 1
410 1 36 C H1' 1 36 C H6 1.800 . 6.500 3.633 3.560 3.666 . 0 0 "[ . 1]" 1
411 1 36 C H6 1 37 U H5 1.800 . 6.500 4.222 3.619 5.283 . 0 0 "[ . 1]" 1
412 1 35 A HO2' 1 36 C H6 1.800 . 3.000 3.953 2.812 4.887 1.887 6 7 "[***-*+ *]" 1
413 1 36 C H6 1 36 C HO2' 1.800 . 5.000 5.175 4.971 5.390 0.390 10 0 "[ . 1]" 1
414 1 35 A HO2' 1 36 C H1' 1.800 . 6.500 3.707 2.885 4.662 . 0 0 "[ . 1]" 1
415 1 37 U H1' 1 37 U H6 1.800 . 5.000 3.442 2.313 3.750 . 0 0 "[ . 1]" 1
416 1 36 C H1' 1 37 U H1' 1.800 . 6.500 5.381 4.715 5.734 . 0 0 "[ . 1]" 1
417 1 36 C H1' 1 37 U H6 1.800 . 6.500 5.394 4.628 5.746 . 0 0 "[ . 1]" 1
418 1 36 C H6 1 37 U H6 1.800 . 6.500 5.062 4.367 5.745 . 0 0 "[ . 1]" 1
419 1 36 C HO2' 1 37 U H1' 1.800 . 5.000 4.286 3.355 5.030 0.030 6 0 "[ . 1]" 1
420 1 37 U H6 1 37 U HO2' 1.800 . 5.000 4.782 4.267 5.063 0.063 10 0 "[ . 1]" 1
421 1 36 C HO2' 1 37 U HO2' 1.800 . 6.500 5.792 4.535 6.440 . 0 0 "[ . 1]" 1
422 1 37 U HO2' 1 38 U HO2' 1.800 . 6.500 6.311 4.453 7.556 1.056 1 2 "[+ . -]" 1
423 1 37 U H1' 1 38 U H5 1.800 . 6.500 4.157 2.301 6.456 . 0 0 "[ . 1]" 1
424 1 37 U H1' 1 38 U H6 1.800 . 6.500 4.090 2.918 5.345 . 0 0 "[ . 1]" 1
425 1 37 U H5 1 38 U H5 1.800 . 6.500 5.459 4.092 6.611 0.111 10 0 "[ . 1]" 1
426 1 37 U H6 1 38 U H6 1.800 . 6.500 5.261 4.373 5.943 . 0 0 "[ . 1]" 1
427 1 38 U H1' 1 38 U H6 1.800 . 6.500 3.594 3.376 3.717 . 0 0 "[ . 1]" 1
428 1 37 U HO2' 1 38 U H6 1.800 . 3.000 3.123 1.966 4.999 1.999 4 3 "[ * +- 1]" 1
429 1 38 U H6 1 38 U HO2' 1.800 . 5.000 5.017 4.581 5.366 0.366 9 0 "[ . 1]" 1
430 1 37 U HO2' 1 38 U H1' 1.800 . 6.500 4.689 3.493 6.394 . 0 0 "[ . 1]" 1
431 1 6 G H1' 1 39 A H2 1.800 . 6.500 6.593 6.546 6.625 0.125 8 0 "[ . 1]" 1
432 1 39 A H8 1 40 U H6 1.800 . 6.500 5.509 4.572 6.151 . 0 0 "[ . 1]" 1
433 1 39 A H8 1 39 A HO2' 1.800 . 5.000 5.312 5.143 5.587 0.587 10 1 "[ . +]" 1
434 1 39 A H2 1 40 U H1' 1.800 . 4.000 3.374 2.838 4.120 0.120 8 0 "[ . 1]" 1
435 1 5 A H1' 1 39 A H2 1.800 . 5.000 4.782 4.270 5.068 0.068 8 0 "[ . 1]" 1
436 1 38 U H1' 1 39 A H8 1.800 . 5.000 4.930 4.371 5.229 0.229 10 0 "[ . 1]" 1
437 1 39 A H1' 1 39 A H8 1.800 . 5.000 3.769 3.558 3.853 . 0 0 "[ . 1]" 1
438 1 4 U H1' 1 39 A H2 1.800 . 6.500 5.483 4.930 5.989 . 0 0 "[ . 1]" 1
439 1 5 A H2 1 39 A H2 1.800 . 6.500 3.366 2.829 4.750 . 0 0 "[ . 1]" 1
440 1 38 U H1' 1 39 A H1' 1.800 . 6.500 6.193 4.451 6.619 0.119 4 0 "[ . 1]" 1
441 1 38 U H6 1 39 A H8 1.800 . 6.500 4.675 3.750 6.659 0.159 1 0 "[ . 1]" 1
442 1 39 A H1' 1 39 A H2 1.800 . 6.500 4.682 4.528 5.005 . 0 0 "[ . 1]" 1
443 1 39 A H1' 1 40 U H1' 1.800 . 6.500 4.906 4.581 6.187 . 0 0 "[ . 1]" 1
444 1 39 A H1' 1 40 U H5 1.800 . 6.500 6.553 6.290 6.633 0.133 6 0 "[ . 1]" 1
445 1 39 A H8 1 40 U H5 1.800 . 6.500 5.291 4.013 5.784 . 0 0 "[ . 1]" 1
446 1 38 U HO2' 1 39 A H8 1.800 . 3.000 4.152 2.989 4.921 1.921 5 7 "[ *- +** **]" 1
447 1 38 U HO2' 1 39 A H1' 1.800 . 5.000 5.199 3.562 6.244 1.244 7 4 "[ -* * + 1]" 1
448 1 40 U H3 1 40 U H5 3.500 3.500 6.500 4.211 4.208 4.216 . 0 0 "[ . 1]" 1
449 1 3 G H1 1 40 U H3 1.800 . 3.500 2.790 2.322 3.281 . 0 0 "[ . 1]" 1
450 1 39 A HO2' 1 40 U H6 1.800 . 3.000 4.181 3.543 4.653 1.653 4 10 [***+****-*] 1
451 1 39 A HO2' 1 40 U H1' 1.800 . 5.000 4.287 3.335 5.357 0.357 8 0 "[ . 1]" 1
452 1 40 U H5 1 40 U HO2' 1.800 . 6.500 6.957 6.834 7.202 0.702 4 3 "[ +. * -]" 1
453 1 39 A H1' 1 40 U H6 1.800 . 6.500 5.239 5.114 5.470 . 0 0 "[ . 1]" 1
454 1 40 U H1' 1 40 U H6 1.800 . 6.500 3.665 3.645 3.680 . 0 0 "[ . 1]" 1
455 1 40 U H6 1 40 U HO2' 1.800 . 5.000 4.975 4.768 5.250 0.250 10 0 "[ . 1]" 1
456 1 40 U HO2' 1 41 C H5 1.800 . 4.000 4.932 3.938 5.683 1.683 8 7 "[***-. *+*1]" 1
457 1 40 U H1' 1 41 C H5 1.800 . 6.500 5.025 4.736 5.358 . 0 0 "[ . 1]" 1
458 1 40 U H1' 1 41 C H6 1.800 . 6.500 4.728 4.445 4.940 . 0 0 "[ . 1]" 1
459 1 40 U H5 1 41 C H5 1.800 . 6.500 5.268 5.027 5.619 . 0 0 "[ . 1]" 1
460 1 41 C H1' 1 41 C H6 1.800 . 6.500 3.632 3.585 3.665 . 0 0 "[ . 1]" 1
461 1 41 C H5 1 42 C H5 1.800 . 6.500 4.825 4.360 5.137 . 0 0 "[ . 1]" 1
462 1 41 C H6 1 42 C H5 1.800 . 6.500 4.677 4.340 4.983 . 0 0 "[ . 1]" 1
463 1 40 U HO2' 1 41 C H6 1.800 . 3.000 3.535 2.173 4.248 1.248 1 5 "[+** . *-1]" 1
464 1 40 U HO2' 1 41 C H1' 1.800 . 5.000 4.569 3.560 5.406 0.406 2 0 "[ . 1]" 1
465 1 41 C H6 1 41 C HO2' 1.800 . 5.000 4.980 4.891 5.212 0.212 8 0 "[ . 1]" 1
466 1 41 C H1' 1 42 C H6 1.800 . 5.000 5.041 5.003 5.103 0.103 4 0 "[ . 1]" 1
467 1 42 C H1' 1 42 C H6 1.800 . 5.000 3.668 3.661 3.683 . 0 0 "[ . 1]" 1
468 1 41 C H1' 1 42 C H1' 1.800 . 6.500 5.838 5.550 6.158 . 0 0 "[ . 1]" 1
469 1 42 C H1' 1 42 C H5 1.800 . 6.500 5.407 5.398 5.420 . 0 0 "[ . 1]" 1
470 1 41 C HO2' 1 42 C H6 1.800 . 3.000 4.199 2.966 4.789 1.789 10 9 "[**-**** *+]" 1
471 1 41 C HO2' 1 42 C H1' 1.800 . 5.000 4.793 3.693 5.712 0.712 10 2 "[ . -+]" 1
472 1 42 C H6 1 42 C HO2' 1.800 . 5.000 5.054 4.875 5.271 0.271 3 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 64
_Distance_constraint_stats_list.Viol_count 177
_Distance_constraint_stats_list.Viol_total 90.929
_Distance_constraint_stats_list.Viol_max 0.255
_Distance_constraint_stats_list.Viol_rms 0.0332
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0142
_Distance_constraint_stats_list.Viol_average_violations_only 0.0514
_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 0.139 0.040 4 0 "[ . 1]"
1 2 G 0.313 0.089 10 0 "[ . 1]"
1 4 U 0.704 0.117 2 0 "[ . 1]"
1 8 G 0.115 0.053 6 0 "[ . 1]"
1 9 U 0.095 0.051 2 0 "[ . 1]"
1 10 A 0.247 0.038 9 0 "[ . 1]"
1 11 U 1.080 0.117 1 0 "[ . 1]"
1 12 A 0.148 0.044 2 0 "[ . 1]"
1 15 U 2.962 0.255 7 0 "[ . 1]"
1 16 A 1.078 0.170 6 0 "[ . 1]"
1 17 G 1.260 0.121 1 0 "[ . 1]"
1 18 U 0.503 0.093 9 0 "[ . 1]"
1 19 C 0.405 0.085 4 0 "[ . 1]"
1 20 U 0.042 0.040 8 0 "[ . 1]"
1 23 G 0.042 0.040 8 0 "[ . 1]"
1 24 G 0.405 0.085 4 0 "[ . 1]"
1 25 A 0.503 0.093 9 0 "[ . 1]"
1 26 C 1.260 0.121 1 0 "[ . 1]"
1 27 U 1.078 0.170 6 0 "[ . 1]"
1 28 U 2.962 0.255 7 0 "[ . 1]"
1 32 U 0.148 0.044 2 0 "[ . 1]"
1 33 A 1.080 0.117 1 0 "[ . 1]"
1 34 U 0.247 0.038 9 0 "[ . 1]"
1 35 A 0.095 0.051 2 0 "[ . 1]"
1 36 C 0.115 0.053 6 0 "[ . 1]"
1 39 A 0.704 0.117 2 0 "[ . 1]"
1 41 C 0.313 0.089 10 0 "[ . 1]"
1 42 C 0.139 0.040 4 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 N1 1 42 C N3 2.800 2.600 3.000 2.913 2.796 3.015 0.015 10 0 "[ . 1]" 2
2 1 1 G N2 1 42 C O2 2.800 2.600 3.000 2.855 2.663 2.986 . 0 0 "[ . 1]" 2
3 1 1 G O6 1 42 C N4 2.800 2.600 3.000 2.871 2.725 3.035 0.035 4 0 "[ . 1]" 2
4 1 1 G H1 1 42 C N3 1.900 . 2.100 1.919 1.789 2.038 . 0 0 "[ . 1]" 2
5 1 1 G H21 1 42 C O2 1.900 . 2.100 1.864 1.660 2.016 0.040 4 0 "[ . 1]" 2
6 1 1 G O6 1 42 C H41 1.900 . 2.100 1.873 1.727 2.049 . 0 0 "[ . 1]" 2
7 1 2 G N1 1 41 C N3 2.800 2.600 3.000 2.910 2.846 2.986 . 0 0 "[ . 1]" 2
8 1 2 G N2 1 41 C O2 2.800 2.600 3.000 2.777 2.638 2.957 . 0 0 "[ . 1]" 2
9 1 2 G O6 1 41 C N4 2.800 2.600 3.000 2.957 2.770 3.089 0.089 10 0 "[ . 1]" 2
10 1 2 G H1 1 41 C N3 1.900 . 2.100 1.917 1.850 2.010 . 0 0 "[ . 1]" 2
11 1 2 G H21 1 41 C O2 1.900 . 2.100 1.788 1.631 1.973 0.069 10 0 "[ . 1]" 2
12 1 2 G O6 1 41 C H41 1.900 . 2.100 1.972 1.774 2.108 0.008 10 0 "[ . 1]" 2
13 1 4 U O4 1 39 A N6 2.800 2.600 3.000 2.858 2.563 3.077 0.077 7 0 "[ . 1]" 2
14 1 4 U N3 1 39 A N1 2.800 2.600 3.000 3.033 2.947 3.117 0.117 2 0 "[ . 1]" 2
15 1 4 U O4 1 39 A H61 1.900 . 2.100 1.909 1.658 2.117 0.042 2 0 "[ . 1]" 2
16 1 4 U H3 1 39 A N1 1.900 . 2.100 2.053 1.994 2.115 0.015 2 0 "[ . 1]" 2
17 1 8 G N1 1 36 C N3 2.800 2.600 3.000 2.898 2.795 3.010 0.010 3 0 "[ . 1]" 2
18 1 8 G N2 1 36 C O2 2.800 2.600 3.000 2.883 2.699 3.008 0.008 2 0 "[ . 1]" 2
19 1 8 G O6 1 36 C N4 2.800 2.600 3.000 2.811 2.587 2.970 0.013 6 0 "[ . 1]" 2
20 1 8 G H1 1 36 C N3 1.900 . 2.100 1.917 1.795 2.034 . 0 0 "[ . 1]" 2
21 1 8 G H21 1 36 C O2 1.900 . 2.100 1.918 1.693 2.123 0.023 10 0 "[ . 1]" 2
22 1 8 G O6 1 36 C H41 1.900 . 2.100 1.863 1.647 2.047 0.053 6 0 "[ . 1]" 2
23 1 9 U O4 1 35 A N6 2.800 2.600 3.000 2.757 2.618 2.933 . 0 0 "[ . 1]" 2
24 1 9 U N3 1 35 A N1 2.800 2.600 3.000 2.836 2.701 2.980 . 0 0 "[ . 1]" 2
25 1 9 U O4 1 35 A H61 1.900 . 2.100 1.799 1.649 1.995 0.051 2 0 "[ . 1]" 2
26 1 9 U H3 1 35 A N1 1.900 . 2.100 1.904 1.749 2.033 . 0 0 "[ . 1]" 2
27 1 10 A N6 1 34 U O4 2.800 2.600 3.000 2.786 2.703 2.866 . 0 0 "[ . 1]" 2
28 1 10 A N1 1 34 U N3 2.800 2.600 3.000 2.664 2.593 2.690 0.007 1 0 "[ . 1]" 2
29 1 10 A H61 1 34 U O4 1.900 . 2.100 1.811 1.717 1.873 . 0 0 "[ . 1]" 2
30 1 10 A N1 1 34 U H3 1.900 . 2.100 1.676 1.662 1.693 0.038 9 0 "[ . 1]" 2
31 1 11 U O4 1 33 A N6 2.800 2.600 3.000 3.085 3.055 3.117 0.117 1 0 "[ . 1]" 2
32 1 11 U N3 1 33 A N1 2.800 2.600 3.000 2.685 2.597 2.765 0.003 1 0 "[ . 1]" 2
33 1 11 U O4 1 33 A H61 1.900 . 2.100 2.120 2.077 2.144 0.044 1 0 "[ . 1]" 2
34 1 11 U H3 1 33 A N1 1.900 . 2.100 1.788 1.706 1.876 . 0 0 "[ . 1]" 2
35 1 12 A N6 1 32 U O4 2.800 2.600 3.000 2.967 2.660 3.044 0.044 2 0 "[ . 1]" 2
36 1 12 A N1 1 32 U N3 2.800 2.600 3.000 2.837 2.696 3.012 0.012 7 0 "[ . 1]" 2
37 1 12 A H61 1 32 U O4 1.900 . 2.100 2.003 1.681 2.107 0.019 10 0 "[ . 1]" 2
38 1 12 A N1 1 32 U H3 1.900 . 2.100 1.905 1.727 2.078 . 0 0 "[ . 1]" 2
39 1 15 U N3 1 28 U O2 2.800 2.600 3.000 3.035 2.926 3.092 0.092 5 0 "[ . 1]" 2
40 1 15 U O4 1 28 U N3 2.800 2.600 3.000 2.583 2.462 2.997 0.138 10 0 "[ . 1]" 2
41 1 15 U H3 1 28 U O2 1.900 . 2.100 2.219 2.074 2.355 0.255 7 0 "[ . 1]" 2
42 1 15 U O4 1 28 U H3 1.900 . 2.100 1.750 1.587 2.146 0.113 5 0 "[ . 1]" 2
43 1 16 A N6 1 27 U O4 2.800 2.600 3.000 3.088 2.965 3.170 0.170 6 0 "[ . 1]" 2
44 1 16 A N1 1 27 U N3 2.800 2.600 3.000 2.847 2.639 2.967 . 0 0 "[ . 1]" 2
45 1 16 A H61 1 27 U O4 1.900 . 2.100 2.091 1.986 2.163 0.063 6 0 "[ . 1]" 2
46 1 16 A N1 1 27 U H3 1.900 . 2.100 1.945 1.791 2.053 . 0 0 "[ . 1]" 2
47 1 17 G N1 1 26 C N3 2.800 2.600 3.000 2.833 2.708 2.990 . 0 0 "[ . 1]" 2
48 1 17 G N2 1 26 C O2 2.800 2.600 3.000 2.620 2.499 2.930 0.101 6 0 "[ . 1]" 2
49 1 17 G O6 1 26 C N4 2.800 2.600 3.000 3.056 2.986 3.121 0.121 1 0 "[ . 1]" 2
50 1 17 G H1 1 26 C N3 1.900 . 2.100 1.877 1.780 2.043 . 0 0 "[ . 1]" 2
51 1 17 G H21 1 26 C O2 1.900 . 2.100 1.750 1.590 2.105 0.110 3 0 "[ . 1]" 2
52 1 17 G O6 1 26 C H41 1.900 . 2.100 2.077 2.006 2.161 0.061 7 0 "[ . 1]" 2
53 1 18 U O4 1 25 A N6 2.800 2.600 3.000 2.871 2.545 3.056 0.056 3 0 "[ . 1]" 2
54 1 18 U N3 1 25 A N1 2.800 2.600 3.000 2.894 2.695 3.010 0.010 8 0 "[ . 1]" 2
55 1 18 U O4 1 25 A H61 1.900 . 2.100 1.909 1.607 2.106 0.093 9 0 "[ . 1]" 2
56 1 18 U H3 1 25 A N1 1.900 . 2.100 1.954 1.740 2.100 . 0 0 "[ . 1]" 2
57 1 19 C N3 1 24 G N1 2.800 2.600 3.000 2.887 2.710 2.958 . 0 0 "[ . 1]" 2
58 1 19 C O2 1 24 G N2 2.800 2.600 3.000 2.762 2.515 3.029 0.085 4 0 "[ . 1]" 2
59 1 19 C N4 1 24 G O6 2.800 2.600 3.000 2.927 2.586 3.064 0.064 10 0 "[ . 1]" 2
60 1 19 C N3 1 24 G H1 1.900 . 2.100 1.972 1.833 2.032 . 0 0 "[ . 1]" 2
61 1 19 C O2 1 24 G H21 1.900 . 2.100 1.833 1.661 2.131 0.039 6 0 "[ . 1]" 2
62 1 19 C H41 1 24 G O6 1.900 . 2.100 2.020 1.771 2.128 0.028 5 0 "[ . 1]" 2
63 1 20 U O2 1 23 G N1 2.800 2.600 3.000 2.863 2.631 3.040 0.040 8 0 "[ . 1]" 2
64 1 20 U O2 1 23 G H1 1.900 . 2.100 1.897 1.780 2.028 . 0 0 "[ . 1]" 2
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