NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
384798 |
1kpy   |
5278 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1kpy
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 286
_Distance_constraint_stats_list.Viol_count 1416
_Distance_constraint_stats_list.Viol_total 4072.290
_Distance_constraint_stats_list.Viol_max 1.921
_Distance_constraint_stats_list.Viol_rms 0.1686
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0633
_Distance_constraint_stats_list.Viol_average_violations_only 0.1917
_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 5 U 7.214 0.520 15 1 "[ . 1 +]"
1 6 C 13.672 0.687 1 4 "[+ .** 1 - .]"
1 7 C 32.914 0.976 7 11 "[** * +***-** *]"
1 8 G 7.454 0.712 9 1 "[ . +1 .]"
1 9 G 23.000 0.815 9 3 "[ * -. +1 .]"
1 10 U 11.659 0.346 14 0 "[ . 1 .]"
1 11 CH 15.558 1.406 11 6 "[ *** 1+ *-]"
1 12 G 10.691 0.296 15 0 "[ . 1 .]"
1 13 A 6.332 0.231 12 0 "[ . 1 .]"
1 14 C 4.993 0.437 4 0 "[ . 1 .]"
1 16 C 59.304 1.921 2 15 [*+***********-*]
1 17 C 48.022 1.453 10 15 [-********+*****]
1 18 G 54.913 1.453 10 15 [*********+*-***]
1 19 G 30.670 0.976 7 5 "[ - . + *1 * *]"
1 20 A 25.955 0.548 4 2 "[ +. 1 - .]"
1 21 G 7.729 0.548 4 4 "[ +. - 1 * *.]"
1 22 A 21.600 0.601 5 7 "[** + * 1- **.]"
1 23 A 16.119 0.531 2 1 "[ + . 1 .]"
1 24 A 7.802 0.389 8 0 "[ . 1 .]"
1 25 C 6.160 0.364 2 0 "[ . 1 .]"
1 26 A 4.266 1.180 10 2 "[ . -+ .]"
1 27 A 6.854 0.505 14 1 "[ . 1 +.]"
1 28 A 42.927 1.921 2 14 "[*+***-** ******]"
1 29 G 41.054 1.470 13 13 "[* * ****-***+**]"
1 30 U 10.459 0.348 11 0 "[ . 1 .]"
1 31 C 0.527 0.101 15 0 "[ . 1 .]"
1 32 A 0.206 0.068 11 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 5 U H1' 1 5 U H6 3.500 2.500 4.500 3.297 2.404 3.472 0.096 8 0 "[ . 1 .]" 1
2 1 5 U H2' 1 5 U H6 3.500 2.500 4.500 4.067 3.087 4.319 . 0 0 "[ . 1 .]" 1
3 1 5 U H3' 1 5 U H6 3.500 2.500 4.500 3.432 2.967 4.768 0.268 6 0 "[ . 1 .]" 1
4 1 6 C H6 1 7 C H5 4.000 3.000 5.000 3.854 3.225 4.428 . 0 0 "[ . 1 .]" 1
5 1 6 C H1' 1 7 C H5 5.000 4.000 6.000 5.874 4.827 6.132 0.132 8 0 "[ . 1 .]" 1
6 1 5 U H1' 1 6 C H6 4.000 3.000 5.000 4.361 2.652 4.855 0.348 6 0 "[ . 1 .]" 1
7 1 5 U H2' 1 6 C H6 3.000 . 4.000 2.926 2.247 4.342 0.342 6 0 "[ . 1 .]" 1
8 1 5 U H3' 1 6 C H6 3.500 2.500 4.500 2.905 2.395 4.461 0.105 2 0 "[ . 1 .]" 1
9 1 6 C H1' 1 6 C H6 3.500 2.500 4.500 3.435 3.269 3.605 . 0 0 "[ . 1 .]" 1
10 1 6 C H2' 1 6 C H6 3.500 2.500 4.500 4.044 3.797 4.284 . 0 0 "[ . 1 .]" 1
11 1 6 C H3' 1 6 C H6 3.500 2.500 4.500 3.011 2.448 3.396 0.052 13 0 "[ . 1 .]" 1
12 1 5 U H6 1 7 C H5 4.500 3.500 5.500 5.824 5.718 6.020 0.520 15 1 "[ . 1 +]" 1
13 1 6 C H1' 1 7 C H6 4.000 3.000 5.000 4.561 3.973 4.929 . 0 0 "[ . 1 .]" 1
14 1 6 C H2' 1 7 C H6 3.000 . 4.000 3.336 2.223 4.102 0.102 4 0 "[ . 1 .]" 1
15 1 6 C H3' 1 7 C H6 3.500 2.500 4.500 2.532 2.258 3.092 0.242 7 0 "[ . 1 .]" 1
16 1 7 C H1' 1 7 C H6 4.000 3.000 5.000 3.292 3.163 3.511 . 0 0 "[ . 1 .]" 1
17 1 7 C H2' 1 7 C H6 3.500 2.500 4.500 4.406 4.178 4.537 0.037 15 0 "[ . 1 .]" 1
18 1 7 C H3' 1 7 C H6 3.500 2.500 4.500 3.891 3.569 4.227 . 0 0 "[ . 1 .]" 1
19 1 7 C H6 1 8 G H8 4.500 3.500 5.500 4.467 3.710 4.786 . 0 0 "[ . 1 .]" 1
20 1 7 C H1' 1 8 G H8 4.000 3.000 5.000 4.611 4.278 5.182 0.182 9 0 "[ . 1 .]" 1
21 1 7 C H2' 1 8 G H8 3.000 . 4.000 2.665 2.201 4.066 0.066 9 0 "[ . 1 .]" 1
22 1 7 C H3' 1 8 G H8 3.500 2.500 4.500 2.664 2.392 3.457 0.108 10 0 "[ . 1 .]" 1
23 1 7 C H5 1 8 G H8 4.500 3.500 5.500 5.262 4.102 5.629 0.129 5 0 "[ . 1 .]" 1
24 1 8 G H1' 1 8 G H8 4.000 3.000 5.000 3.567 3.417 3.628 . 0 0 "[ . 1 .]" 1
25 1 8 G H2' 1 8 G H8 3.500 2.500 4.500 4.088 2.599 4.443 . 0 0 "[ . 1 .]" 1
26 1 8 G H3' 1 8 G H8 3.500 2.500 4.500 3.672 3.285 4.424 . 0 0 "[ . 1 .]" 1
27 1 8 G H1' 1 9 G H8 4.000 3.000 5.000 4.682 2.617 5.124 0.383 6 0 "[ . 1 .]" 1
28 1 8 G H8 1 9 G H8 4.500 3.500 5.500 5.220 3.997 5.632 0.132 5 0 "[ . 1 .]" 1
29 1 8 G H2' 1 9 G H8 3.000 . 4.000 3.054 2.202 4.492 0.492 6 0 "[ . 1 .]" 1
30 1 8 G H3' 1 9 G H8 3.500 2.500 4.500 2.974 2.369 4.789 0.289 6 0 "[ . 1 .]" 1
31 1 9 G H1' 1 9 G H8 4.000 3.000 5.000 3.609 3.510 3.697 . 0 0 "[ . 1 .]" 1
32 1 9 G H2' 1 9 G H8 3.000 . 4.000 4.064 3.881 4.267 0.267 9 0 "[ . 1 .]" 1
33 1 9 G H3' 1 9 G H8 3.500 2.500 4.500 3.346 3.032 3.724 . 0 0 "[ . 1 .]" 1
34 1 9 G H5' 1 9 G H8 3.500 2.500 4.500 3.277 2.697 3.801 . 0 0 "[ . 1 .]" 1
35 1 9 G H5'' 1 9 G H8 3.500 2.500 4.500 3.704 2.202 4.527 0.298 6 0 "[ . 1 .]" 1
36 1 9 G H1' 1 10 U H6 4.500 3.500 5.500 5.661 5.573 5.734 0.234 11 0 "[ . 1 .]" 1
37 1 9 G H2' 1 10 U H6 3.000 . 4.000 3.663 3.320 4.014 0.014 15 0 "[ . 1 .]" 1
38 1 10 U H1' 1 10 U H6 4.000 3.000 5.000 3.739 3.577 3.848 . 0 0 "[ . 1 .]" 1
39 1 10 U H2' 1 10 U H6 3.500 2.500 4.500 2.994 2.492 3.626 0.008 11 0 "[ . 1 .]" 1
40 1 10 U H3' 1 10 U H6 3.500 2.500 4.500 3.097 2.545 3.652 . 0 0 "[ . 1 .]" 1
41 1 10 U H6 1 11 CH H1' 4.500 3.500 5.500 5.505 5.077 5.639 0.139 15 0 "[ . 1 .]" 1
42 1 10 U H6 1 11 CH H5 5.000 4.000 6.000 6.051 5.725 6.141 0.141 14 0 "[ . 1 .]" 1
43 1 10 U H5 1 11 CH H1' 4.500 4.000 5.500 4.807 4.243 5.608 0.108 6 0 "[ . 1 .]" 1
44 1 10 U H1' 1 11 CH H6 4.000 3.000 5.000 4.982 3.819 5.178 0.178 3 0 "[ . 1 .]" 1
45 1 10 U H5 1 11 CH H6 5.000 4.000 6.000 5.332 4.852 5.974 . 0 0 "[ . 1 .]" 1
46 1 10 U H2' 1 11 CH H6 3.000 . 4.000 2.538 2.200 2.820 . 0 0 "[ . 1 .]" 1
47 1 11 CH H1' 1 11 CH H6 4.000 3.000 5.000 3.404 3.321 3.588 . 0 0 "[ . 1 .]" 1
48 1 10 U H3' 1 11 CH H6 3.500 2.500 4.500 3.918 2.863 4.451 . 0 0 "[ . 1 .]" 1
49 1 11 CH H3' 1 11 CH H6 3.500 2.500 4.500 3.587 3.239 4.384 . 0 0 "[ . 1 .]" 1
50 1 10 U H6 1 11 CH H6 5.000 4.000 6.000 4.938 4.714 5.189 . 0 0 "[ . 1 .]" 1
51 1 11 CH H1' 1 12 G H8 4.500 3.500 5.500 3.414 3.222 4.204 0.278 3 0 "[ . 1 .]" 1
52 1 12 G H1' 1 12 G H8 4.500 3.500 5.500 3.509 3.467 3.613 0.033 2 0 "[ . 1 .]" 1
53 1 12 G H2' 1 12 G H8 3.500 2.500 4.500 4.463 4.418 4.504 0.004 15 0 "[ . 1 .]" 1
54 1 13 A H1' 1 13 A H2 5.000 4.000 6.000 4.738 4.440 4.911 . 0 0 "[ . 1 .]" 1
55 1 13 A H2 1 14 C H1' 3.500 2.500 4.500 3.046 2.465 4.271 0.035 15 0 "[ . 1 .]" 1
56 1 13 A H2 1 31 C H1' 3.500 2.500 4.500 3.060 2.818 3.598 . 0 0 "[ . 1 .]" 1
57 1 13 A H2 1 14 C H2' 4.500 3.500 5.500 5.229 4.611 5.579 0.079 4 0 "[ . 1 .]" 1
58 1 13 A H2 1 30 U H1' 5.000 4.000 6.000 6.150 5.947 6.231 0.231 12 0 "[ . 1 .]" 1
59 1 12 G H1' 1 13 A H8 4.000 3.000 5.000 4.379 3.993 5.083 0.083 12 0 "[ . 1 .]" 1
60 1 12 G H2' 1 13 A H8 3.000 . 4.000 2.299 2.197 3.102 . 0 0 "[ . 1 .]" 1
61 1 13 A H1' 1 13 A H8 4.000 3.000 5.000 3.533 3.495 3.567 . 0 0 "[ . 1 .]" 1
62 1 13 A H2' 1 13 A H8 3.500 2.500 4.500 4.305 3.926 4.414 . 0 0 "[ . 1 .]" 1
63 1 14 C H1' 1 16 C H5 4.500 3.500 5.500 5.352 4.688 5.573 0.073 3 0 "[ . 1 .]" 1
64 1 14 C H1' 1 14 C H5 4.500 3.500 5.500 5.317 5.054 5.427 . 0 0 "[ . 1 .]" 1
65 1 14 C H1' 1 14 C H6 4.000 3.000 5.000 3.547 3.176 3.704 . 0 0 "[ . 1 .]" 1
66 1 13 A H1' 1 14 C H6 4.000 3.000 5.000 4.995 4.188 5.119 0.119 11 0 "[ . 1 .]" 1
67 1 14 C H2' 1 14 C H6 3.500 2.500 4.500 3.495 2.677 4.336 . 0 0 "[ . 1 .]" 1
68 1 14 C H3' 1 14 C H6 3.500 2.500 4.500 4.117 3.603 4.561 0.061 11 0 "[ . 1 .]" 1
69 1 13 A H2' 1 14 C H6 3.000 . 4.000 3.170 2.784 4.029 0.029 12 0 "[ . 1 .]" 1
70 1 14 C H2' 1 16 C H5 3.500 2.500 3.500 2.935 2.489 3.494 0.011 2 0 "[ . 1 .]" 1
71 1 16 C H1' 1 16 C H5 4.000 3.000 5.000 5.009 4.903 5.057 0.057 11 0 "[ . 1 .]" 1
72 1 14 C H2' 1 16 C H6 3.500 2.500 4.500 2.950 2.437 4.519 0.063 14 0 "[ . 1 .]" 1
73 1 14 C H1' 1 16 C H6 5.000 4.000 6.000 4.974 4.011 5.501 . 0 0 "[ . 1 .]" 1
74 1 16 C H1' 1 16 C H6 4.000 3.000 5.000 3.423 3.278 3.512 . 0 0 "[ . 1 .]" 1
75 1 16 C H2' 1 16 C H6 3.500 2.500 4.500 4.078 3.597 4.506 0.006 2 0 "[ . 1 .]" 1
76 1 16 C H3' 1 16 C H6 3.500 2.500 4.500 3.754 3.423 4.473 . 0 0 "[ . 1 .]" 1
77 1 16 C H1' 1 17 C H6 4.000 3.000 5.000 4.806 4.402 5.133 0.133 2 0 "[ . 1 .]" 1
78 1 16 C H2' 1 17 C H6 3.000 . 4.000 2.433 2.198 3.033 . 0 0 "[ . 1 .]" 1
79 1 16 C H3' 1 17 C H6 3.500 2.500 4.500 2.908 2.344 3.655 0.156 6 0 "[ . 1 .]" 1
80 1 17 C H1' 1 17 C H6 3.500 2.500 4.500 3.458 3.246 3.593 . 0 0 "[ . 1 .]" 1
81 1 17 C H3' 1 17 C H6 3.500 2.500 4.500 3.167 2.834 3.603 . 0 0 "[ . 1 .]" 1
82 1 17 C H2' 1 17 C H6 4.500 3.500 5.500 4.113 3.945 4.279 . 0 0 "[ . 1 .]" 1
83 1 17 C H6 1 18 G H8 5.000 4.000 6.000 4.108 3.881 4.448 0.119 6 0 "[ . 1 .]" 1
84 1 17 C H1' 1 18 G H8 4.000 3.000 5.000 4.725 4.170 5.165 0.165 12 0 "[ . 1 .]" 1
85 1 17 C H2' 1 18 G H8 . 3.850 4.000 3.069 2.402 3.715 1.448 9 12 "[*******-+1* * *]" 1
86 1 17 C H3' 1 18 G H8 3.500 2.500 4.500 2.780 2.390 3.414 0.110 6 0 "[ . 1 .]" 1
87 1 18 G H1' 1 18 G H8 4.000 3.000 5.000 3.578 3.478 3.632 . 0 0 "[ . 1 .]" 1
88 1 18 G H2' 1 18 G H8 3.500 2.500 4.500 4.257 4.060 4.514 0.014 2 0 "[ . 1 .]" 1
89 1 18 G H3' 1 18 G H8 3.500 2.500 4.500 3.306 3.045 3.770 . 0 0 "[ . 1 .]" 1
90 1 18 G H8 1 19 G H8 5.000 4.000 6.000 4.221 3.951 4.497 0.049 9 0 "[ . 1 .]" 1
91 1 18 G H1' 1 19 G H8 4.000 3.000 5.000 5.159 4.951 5.327 0.327 14 0 "[ . 1 .]" 1
92 1 18 G H2' 1 19 G H8 3.000 . 4.000 3.652 3.166 4.027 0.027 14 0 "[ . 1 .]" 1
93 1 18 G H3' 1 19 G H8 3.500 2.500 4.500 2.929 2.417 3.564 0.083 4 0 "[ . 1 .]" 1
94 1 19 G H1' 1 19 G H8 4.000 3.000 5.000 3.540 3.439 3.636 . 0 0 "[ . 1 .]" 1
95 1 19 G H2' 1 19 G H8 3.500 2.500 4.500 4.270 4.145 4.444 . 0 0 "[ . 1 .]" 1
96 1 19 G H3' 1 19 G H8 3.500 2.500 4.500 3.503 3.347 3.823 . 0 0 "[ . 1 .]" 1
97 1 19 G H8 1 20 A H5'' 4.000 . 6.000 5.516 4.535 6.187 0.187 2 0 "[ . 1 .]" 1
98 1 19 G H8 1 20 A H5' 4.000 . 6.000 5.879 5.271 6.200 0.200 15 0 "[ . 1 .]" 1
99 1 20 A H1' 1 24 A H1' 4.000 3.000 5.000 5.148 5.018 5.389 0.389 8 0 "[ . 1 .]" 1
100 1 6 C H1' 1 20 A H2 3.500 2.500 4.500 3.570 2.925 4.610 0.110 15 0 "[ . 1 .]" 1
101 1 7 C H1' 1 20 A H2 5.000 4.000 6.000 5.227 4.575 6.140 0.140 7 0 "[ . 1 .]" 1
102 1 7 C H6 1 20 A H2 5.000 4.000 6.000 6.063 5.859 6.188 0.188 4 0 "[ . 1 .]" 1
103 1 20 A H2 1 21 G H1' 3.000 . 5.000 2.829 2.199 4.208 . 0 0 "[ . 1 .]" 1
104 1 20 A H2 1 22 A H1' 5.000 4.000 6.000 5.215 3.842 6.324 0.324 12 0 "[ . 1 .]" 1
105 1 20 A H2 1 22 A H2 5.000 4.000 6.000 4.650 3.616 6.396 0.396 5 0 "[ . 1 .]" 1
106 1 20 A H2 1 21 G H2' 3.000 . 4.000 4.235 3.980 4.548 0.548 4 2 "[ +. 1 - .]" 1
107 1 19 G H1' 1 20 A H8 4.000 3.000 5.000 4.567 4.272 5.166 0.166 15 0 "[ . 1 .]" 1
108 1 19 G H2' 1 20 A H8 3.000 . 4.000 2.896 2.344 4.104 0.104 14 0 "[ . 1 .]" 1
109 1 19 G H3' 1 20 A H8 3.500 2.500 4.500 2.397 2.230 2.539 0.270 8 0 "[ . 1 .]" 1
110 1 20 A H1' 1 20 A H8 4.000 3.000 5.000 3.528 3.337 3.701 . 0 0 "[ . 1 .]" 1
111 1 20 A H2' 1 20 A H8 3.000 . 4.000 4.120 4.037 4.189 0.189 1 0 "[ . 1 .]" 1
112 1 19 G H5' 1 20 A H8 4.000 3.000 5.000 4.068 2.962 4.477 0.038 8 0 "[ . 1 .]" 1
113 1 19 G H5'' 1 20 A H8 4.000 3.000 5.000 4.685 4.087 5.039 0.039 13 0 "[ . 1 .]" 1
114 1 20 A H8 1 21 G H8 5.000 4.000 6.000 5.628 4.783 6.100 0.100 14 0 "[ . 1 .]" 1
115 1 20 A H8 1 23 A H2 3.000 . 4.000 4.138 4.024 4.275 0.275 6 0 "[ . 1 .]" 1
116 1 21 G H1' 1 21 G H8 4.000 3.000 5.000 3.119 2.932 3.452 0.068 4 0 "[ . 1 .]" 1
117 1 6 C H1' 1 23 A H1' 5.000 4.000 6.000 6.145 5.935 6.212 0.212 1 0 "[ . 1 .]" 1
118 1 21 G H1' 1 22 A H1' 3.000 . 4.000 3.905 2.564 4.220 0.220 4 0 "[ . 1 .]" 1
119 1 21 G H4' 1 22 A H1' 3.500 2.500 4.500 4.142 2.490 5.043 0.543 14 2 "[ . - 1 +.]" 1
120 1 6 C H1' 1 22 A H2 3.000 . 4.000 3.901 2.198 4.303 0.303 3 0 "[ . 1 .]" 1
121 1 6 C H2' 1 22 A H2 3.000 . 4.000 3.385 2.202 4.213 0.213 6 0 "[ . 1 .]" 1
122 1 7 C H1' 1 22 A H8 5.000 4.000 6.000 6.218 5.108 6.578 0.578 1 3 "[+ . 1- * .]" 1
123 1 21 G H2' 1 22 A H8 3.500 2.500 4.500 4.168 2.449 4.909 0.409 2 0 "[ . 1 .]" 1
124 1 22 A H1' 1 22 A H8 3.000 3.000 4.000 3.533 2.528 3.974 0.472 5 0 "[ . 1 .]" 1
125 1 22 A H2' 1 22 A H8 3.000 . 4.000 2.873 2.196 4.255 0.255 10 0 "[ . 1 .]" 1
126 1 22 A H3' 1 22 A H8 3.000 . 4.000 4.016 2.234 4.601 0.601 5 1 "[ + 1 .]" 1
127 1 7 C H1' 1 22 A H1' 5.000 4.000 6.000 5.725 3.860 6.449 0.449 5 0 "[ . 1 .]" 1
128 1 21 G H2' 1 22 A H1' 3.000 . 4.000 3.782 2.832 4.140 0.140 12 0 "[ . 1 .]" 1
129 1 19 G H1' 1 23 A H2 3.500 2.500 4.500 3.073 2.251 4.508 0.249 7 0 "[ . 1 .]" 1
130 1 19 G H5'' 1 23 A H2 3.500 . 5.500 5.823 5.662 6.021 0.521 2 1 "[ + . 1 .]" 1
131 1 20 A H1' 1 23 A H2 3.000 . 4.000 3.086 2.200 3.798 . 0 0 "[ . 1 .]" 1
132 1 23 A H1' 1 23 A H2 5.000 4.000 6.000 4.799 4.466 5.495 . 0 0 "[ . 1 .]" 1
133 1 23 A H2 1 24 A H1' 3.500 2.500 4.500 3.318 2.349 3.918 0.151 2 0 "[ . 1 .]" 1
134 1 23 A H2 1 24 A H2 4.000 3.000 5.000 4.927 4.438 5.204 0.204 8 0 "[ . 1 .]" 1
135 1 22 A H2 1 23 A H8 4.000 3.000 5.000 4.762 3.336 5.531 0.531 2 1 "[ + . 1 .]" 1
136 1 24 A H8 1 25 C H1' 5.000 4.000 6.000 5.737 4.231 6.151 0.151 2 0 "[ . 1 .]" 1
137 1 24 A H1' 1 24 A H2 5.000 4.000 6.000 4.897 4.256 6.003 0.003 5 0 "[ . 1 .]" 1
138 1 24 A H2 1 24 A H2' 3.500 2.500 4.500 4.526 4.117 4.656 0.156 14 0 "[ . 1 .]" 1
139 1 24 A H2 1 25 C H1' 3.000 . 4.000 3.430 2.201 4.262 0.262 8 0 "[ . 1 .]" 1
140 1 24 A H2 1 25 C H6 5.000 4.000 6.000 4.505 3.771 6.002 0.229 5 0 "[ . 1 .]" 1
141 1 24 A H8 1 25 C H6 5.000 4.000 6.000 4.592 3.922 5.843 0.078 9 0 "[ . 1 .]" 1
142 1 24 A H1' 1 25 C H6 4.000 3.000 5.000 5.088 5.012 5.236 0.236 10 0 "[ . 1 .]" 1
143 1 24 A H2' 1 25 C H6 3.000 . 4.000 2.785 2.255 3.358 . 0 0 "[ . 1 .]" 1
144 1 25 C H1' 1 25 C H6 4.000 3.000 5.000 3.096 2.704 3.737 0.296 7 0 "[ . 1 .]" 1
145 1 25 C H2' 1 25 C H6 3.500 2.500 4.500 3.831 2.584 4.463 . 0 0 "[ . 1 .]" 1
146 1 25 C H6 1 26 A H8 4.000 3.000 5.000 3.796 2.983 4.231 0.017 11 0 "[ . 1 .]" 1
147 1 25 C H5 1 26 A H8 4.000 3.000 5.000 4.079 3.940 4.179 . 0 0 "[ . 1 .]" 1
148 1 18 G H5'' 1 26 A H2 3.000 . 4.000 3.968 2.664 4.310 0.310 2 0 "[ . 1 .]" 1
149 1 26 A H1' 1 26 A H2 5.000 4.000 6.000 4.587 4.229 5.987 . 0 0 "[ . 1 .]" 1
150 1 26 A H2 1 27 A H1' 3.000 . 4.000 3.903 2.349 4.098 0.098 2 0 "[ . 1 .]" 1
151 1 18 G H4' 1 26 A H2 3.500 2.500 4.500 3.038 2.453 4.254 0.047 13 0 "[ . 1 .]" 1
152 1 25 C H2' 1 26 A H8 3.000 . 4.000 3.181 2.241 4.364 0.364 2 0 "[ . 1 .]" 1
153 1 26 A H1' 1 26 A H8 4.000 3.000 5.000 3.832 2.965 4.087 0.035 2 0 "[ . 1 .]" 1
154 1 25 C H1' 1 26 A H8 4.000 3.000 5.000 3.912 2.915 5.029 0.085 2 0 "[ . 1 .]" 1
155 1 17 C H1' 1 27 A H2 2.000 . 3.000 2.420 2.196 2.867 . 0 0 "[ . 1 .]" 1
156 1 17 C H2' 1 27 A H2 . 4.000 4.500 4.110 3.858 4.498 0.142 6 0 "[ . 1 .]" 1
157 1 17 C H4' 1 27 A H2 3.500 2.500 4.500 2.894 2.332 4.068 0.168 14 0 "[ . 1 .]" 1
158 1 26 A H2 1 27 A H2 5.000 4.000 6.000 5.169 3.938 5.647 0.062 2 0 "[ . 1 .]" 1
159 1 27 A H1' 1 27 A H2 5.000 4.000 6.000 4.643 4.398 4.785 . 0 0 "[ . 1 .]" 1
160 1 10 U H1' 1 27 A H8 3.000 . 4.000 3.989 3.641 4.110 0.110 6 0 "[ . 1 .]" 1
161 1 26 A H2 1 27 A H8 5.000 4.000 6.000 5.004 3.979 5.779 0.021 15 0 "[ . 1 .]" 1
162 1 27 A H1' 1 27 A H8 4.000 3.000 5.000 3.830 3.716 3.903 . 0 0 "[ . 1 .]" 1
163 1 27 A H1' 1 28 A H1' 4.000 3.000 5.000 4.671 3.863 5.046 0.046 8 0 "[ . 1 .]" 1
164 1 28 A H1' 1 28 A H2' 4.000 3.000 5.000 2.792 2.753 2.828 0.247 6 0 "[ . 1 .]" 1
165 1 28 A H1' 1 29 G H1' 4.000 3.000 5.000 4.432 3.948 5.007 0.007 6 0 "[ . 1 .]" 1
166 1 28 A H1' 1 29 G H5'' 3.500 2.500 4.500 4.677 4.601 4.723 0.223 4 0 "[ . 1 .]" 1
167 1 16 C H1' 1 28 A H2 4.000 3.000 5.000 4.083 3.391 5.012 0.012 2 0 "[ . 1 .]" 1
168 1 17 C H1' 1 28 A H2 5.000 4.000 6.000 5.296 4.358 5.682 . 0 0 "[ . 1 .]" 1
169 1 27 A H2 1 28 A H2 5.000 4.000 6.000 4.034 3.899 4.328 0.101 11 0 "[ . 1 .]" 1
170 1 28 A H1' 1 28 A H2 5.000 4.000 6.000 4.703 4.573 4.920 . 0 0 "[ . 1 .]" 1
171 1 28 A H2 1 28 A H2' 3.000 . 4.000 4.211 4.140 4.276 0.276 12 0 "[ . 1 .]" 1
172 1 28 A H2 1 29 G H1' 3.000 . 4.000 2.447 2.258 2.975 . 0 0 "[ . 1 .]" 1
173 1 28 A H2 1 29 G H8 4.000 3.000 5.000 5.044 4.866 5.143 0.143 15 0 "[ . 1 .]" 1
174 1 28 A H1' 1 28 A H8 4.000 3.000 5.000 3.716 3.662 3.796 . 0 0 "[ . 1 .]" 1
175 1 28 A H2' 1 28 A H8 3.500 2.500 4.500 3.924 3.813 4.046 . 0 0 "[ . 1 .]" 1
176 1 28 A H8 1 29 G H8 5.000 4.000 6.000 4.477 4.126 4.863 . 0 0 "[ . 1 .]" 1
177 1 28 A H1' 1 29 G H8 4.000 3.000 5.000 4.891 4.638 5.015 0.015 4 0 "[ . 1 .]" 1
178 1 28 A H2' 1 29 G H8 3.000 . 4.000 2.252 2.200 2.447 . 0 0 "[ . 1 .]" 1
179 1 29 G H1' 1 29 G H8 4.000 3.000 5.000 3.651 3.587 3.677 . 0 0 "[ . 1 .]" 1
180 1 29 G H2' 1 29 G H8 3.500 2.500 4.500 4.488 4.398 4.558 0.058 6 0 "[ . 1 .]" 1
181 1 29 G H3' 1 29 G H8 3.500 2.500 4.500 3.524 3.354 3.646 . 0 0 "[ . 1 .]" 1
182 1 29 G H4' 1 29 G H8 3.500 2.500 4.500 4.488 4.411 4.529 0.029 15 0 "[ . 1 .]" 1
183 1 29 G H5' 1 29 G H8 3.500 2.500 4.500 2.763 2.470 3.021 0.030 6 0 "[ . 1 .]" 1
184 1 29 G H5'' 1 29 G H8 3.500 2.500 4.500 2.267 2.232 2.336 0.268 14 0 "[ . 1 .]" 1
185 1 29 G H1' 1 30 U H6 4.000 3.000 5.000 5.047 4.749 5.144 0.144 14 0 "[ . 1 .]" 1
186 1 29 G H2' 1 30 U H6 3.000 . 4.000 3.093 2.686 3.401 . 0 0 "[ . 1 .]" 1
187 1 30 U H1' 1 30 U H6 4.000 3.000 5.000 3.413 3.318 3.510 . 0 0 "[ . 1 .]" 1
188 1 30 U H2' 1 30 U H6 3.500 2.500 4.500 4.373 4.076 4.489 . 0 0 "[ . 1 .]" 1
189 1 30 U H3' 1 30 U H6 3.500 2.500 4.500 3.477 3.139 3.981 . 0 0 "[ . 1 .]" 1
190 1 30 U H2' 1 31 C H6 3.000 . 4.000 3.481 2.715 4.101 0.101 15 0 "[ . 1 .]" 1
191 1 31 C H1' 1 31 C H6 4.000 3.000 5.000 3.440 3.175 3.749 . 0 0 "[ . 1 .]" 1
192 1 12 G H1' 1 32 A H2 3.000 . 4.000 3.818 2.594 4.068 0.068 11 0 "[ . 1 .]" 1
193 1 32 A H1' 1 32 A H2 5.000 4.000 6.000 4.586 4.435 4.929 . 0 0 "[ . 1 .]" 1
194 1 5 U H5 1 19 G H1 5.370 3.370 7.370 6.715 5.923 7.492 0.122 14 0 "[ . 1 .]" 1
195 1 6 C H41 1 18 G H1 5.370 4.370 5.870 4.038 3.683 4.416 0.687 1 4 "[+ .** 1 - .]" 1
196 1 6 C H5 1 18 G H1 5.200 3.200 7.200 6.729 6.238 7.235 0.035 15 0 "[ . 1 .]" 1
197 1 6 C H5 1 19 G H1 4.550 3.550 5.050 4.997 4.847 5.185 0.135 9 0 "[ . 1 .]" 1
198 1 19 G H1 1 20 A H1' 4.000 3.000 5.000 4.539 4.121 4.838 . 0 0 "[ . 1 .]" 1
199 1 7 C Q4 1 8 G H1 5.310 4.310 5.810 4.348 3.598 5.360 0.712 9 1 "[ . +1 .]" 1
200 1 7 C Q4 1 19 G H1 5.280 4.280 5.780 3.901 3.304 4.325 0.976 7 4 "[ . + *1 - *]" 1
201 1 7 C H5 1 18 G H1 4.040 4.000 4.540 4.753 4.677 4.845 0.305 11 0 "[ . 1 .]" 1
202 1 7 C H5 1 19 G H1 4.590 3.590 5.090 4.507 4.073 4.783 . 0 0 "[ . 1 .]" 1
203 1 17 C H2' 1 18 G H1' 5.250 4.250 5.750 3.064 2.797 3.432 1.453 10 15 [********-+*****] 1
204 1 18 G H1 1 19 G H1' 4.000 3.000 5.000 5.066 4.342 5.336 0.336 1 0 "[ . 1 .]" 1
205 1 8 G H1 1 17 C H1' 5.000 4.000 5.500 5.416 5.007 5.596 0.096 5 0 "[ . 1 .]" 1
206 1 9 G H1 1 17 C H1' 4.410 3.410 4.910 4.240 3.671 5.130 0.220 6 0 "[ . 1 .]" 1
207 1 16 C H2' 1 17 C H1' 5.020 4.020 5.520 3.546 2.703 4.650 1.317 6 7 "[- ***+ 1 * *.]" 1
208 1 9 G H1 1 17 C H41 5.360 4.360 5.860 4.163 3.545 4.612 0.815 9 3 "[ * -. +1 .]" 1
209 1 17 C H41 1 18 G H1 4.810 3.810 5.310 4.122 3.983 4.324 . 0 0 "[ . 1 .]" 1
210 1 17 C H42 1 18 G H1 4.790 3.790 5.290 5.422 5.348 5.548 0.258 6 0 "[ . 1 .]" 1
211 1 9 G H1 1 17 C H5 5.010 4.010 5.510 4.892 4.463 5.321 . 0 0 "[ . 1 .]" 1
212 1 10 U H3 1 16 C H1' 5.370 3.370 7.370 6.678 5.437 7.468 0.098 4 0 "[ . 1 .]" 1
213 1 8 G H1 1 16 C H5 6.000 5.000 7.000 7.000 6.296 7.149 0.149 5 0 "[ . 1 .]" 1
214 1 9 G H1 1 16 C H5 5.030 4.030 5.530 5.320 4.931 5.519 . 0 0 "[ . 1 .]" 1
215 1 16 C H2' 1 29 G H1 5.000 4.000 5.500 5.421 4.237 6.472 0.972 11 3 "[ * 1+ -]" 1
216 1 9 G H1 1 10 U H5 4.320 3.320 4.820 4.580 3.805 4.959 0.139 14 0 "[ . 1 .]" 1
217 1 10 U H5 1 29 G H1 4.800 3.800 5.800 5.852 5.469 5.968 0.168 1 0 "[ . 1 .]" 1
218 1 9 G H1 1 28 A H2 5.280 3.280 7.280 7.486 7.395 7.635 0.355 14 0 "[ . 1 .]" 1
219 1 28 A H2 1 29 G H1 5.240 4.240 5.740 5.245 4.750 5.741 0.001 14 0 "[ . 1 .]" 1
220 1 11 CH H41 1 28 A Q6 5.320 4.320 5.820 4.384 2.914 5.538 1.406 11 4 "[ *- 1+ *.]" 1
221 1 11 CH H42 1 28 A Q6 5.110 4.110 5.610 4.418 2.963 5.355 1.147 6 2 "[ .+ 1 -]" 1
222 1 16 C H2' 1 28 A Q6 . 4.370 5.000 3.843 2.449 4.889 1.921 2 8 "[*+**.- * * *.]" 1
223 1 28 A Q6 1 29 G H1 . 3.680 4.000 3.599 3.362 3.958 0.318 11 0 "[ . 1 .]" 1
224 1 11 CH H42 1 28 A H8 4.650 3.650 5.150 4.429 3.755 4.986 . 0 0 "[ . 1 .]" 1
225 1 19 G H1 1 23 A H1' 4.840 3.840 5.340 5.510 5.144 5.816 0.476 14 0 "[ . 1 .]" 1
226 1 9 G H1 1 27 A H2 5.330 4.330 5.830 5.773 4.836 6.035 0.205 10 0 "[ . 1 .]" 1
227 1 10 U H3 1 27 A H2 5.070 4.070 5.570 4.052 3.851 4.235 0.219 6 0 "[ . 1 .]" 1
228 1 16 C H2' 1 27 A H2 4.560 3.560 5.060 4.433 3.055 5.457 0.505 14 1 "[ . 1 +.]" 1
229 1 16 C H2' 1 29 G H21 4.810 3.810 5.310 5.300 4.456 6.173 0.863 11 3 "[ * 1+ -]" 1
230 1 9 G H1 1 14 C Q4 5.010 4.010 5.510 3.778 3.573 4.098 0.437 4 0 "[ . 1 .]" 1
231 1 16 C H2' 1 29 G H22 4.850 3.850 5.350 5.536 4.817 6.192 0.842 15 4 "[ *- 1* +]" 1
232 1 14 C Q4 1 30 U H3 5.370 4.370 5.870 4.904 4.549 5.266 . 0 0 "[ . 1 .]" 1
233 1 12 G H1 1 13 A H1' 4.400 4.000 4.900 4.960 4.626 5.071 0.171 4 0 "[ . 1 .]" 1
234 1 13 A H2 1 29 G H1 4.730 3.730 5.230 4.931 4.708 5.198 . 0 0 "[ . 1 .]" 1
235 1 29 G H1 1 30 U H1' 4.880 3.880 5.380 5.337 4.857 5.477 0.097 2 0 "[ . 1 .]" 1
236 1 30 U H1' 1 30 U H3 5.370 4.370 5.870 4.431 4.358 4.593 0.012 2 0 "[ . 1 .]" 1
237 1 12 G H1 1 30 U H5 5.100 4.100 5.600 5.801 5.705 5.896 0.296 15 0 "[ . 1 .]" 1
238 1 12 G H1 1 31 C H5 5.930 4.930 6.430 5.044 4.862 5.289 0.068 8 0 "[ . 1 .]" 1
239 1 12 G H1 1 32 A H2 5.350 4.350 5.850 4.997 4.343 5.887 0.037 11 0 "[ . 1 .]" 1
240 1 10 U H5 1 11 CH H2' 3.500 2.500 4.500 2.950 2.515 4.780 0.280 6 0 "[ . 1 .]" 1
241 1 19 G H3' 1 23 A H2 3.500 2.500 4.500 4.057 2.587 4.624 0.124 13 0 "[ . 1 .]" 1
242 1 16 C Q5' 1 28 A H2 3.000 . 4.000 3.999 3.604 4.163 0.163 6 0 "[ . 1 .]" 1
243 1 17 C Q5' 1 28 A H2 3.000 . 4.000 3.665 2.344 4.120 0.120 9 0 "[ . 1 .]" 1
244 1 6 C H41 1 19 G H1 3.000 . 4.000 2.637 2.210 3.204 . 0 0 "[ . 1 .]" 1
245 1 6 C H42 1 19 G H1 3.500 2.500 4.500 4.103 3.799 4.549 0.049 13 0 "[ . 1 .]" 1
246 1 19 G H1 1 20 A H2 2.000 . 3.000 3.335 3.149 3.453 0.453 9 0 "[ . 1 .]" 1
247 1 7 C Q4 1 18 G H1 3.000 2.500 4.000 1.983 1.761 2.388 0.739 8 9 "[-* * *+** * *]" 1
248 1 17 C H1' 1 17 C H2' 3.000 . 4.000 2.343 2.237 2.504 . 0 0 "[ . 1 .]" 1
249 1 17 C H2' 1 17 C H3' 3.500 2.500 4.500 2.599 2.560 2.638 . 0 0 "[ . 1 .]" 1
250 1 8 G H1 1 17 C H41 2.500 . 3.500 1.872 1.775 2.054 . 0 0 "[ . 1 .]" 1
251 1 8 G H1 1 17 C H42 3.000 . 4.000 3.439 3.346 3.593 . 0 0 "[ . 1 .]" 1
252 1 16 C H2' 1 29 G H1' 4.500 3.500 5.500 6.489 5.675 6.970 1.470 13 13 "[* * ****-***+**]" 1
253 1 14 C Q4 1 16 C H1' 2.500 . 3.500 2.378 1.851 2.841 . 0 0 "[ . 1 .]" 1
254 1 16 C H1' 1 29 G H1 3.000 . 4.000 3.069 2.252 4.043 0.043 11 0 "[ . 1 .]" 1
255 1 16 C H1' 1 16 C H2' 3.500 2.500 4.500 2.550 2.476 2.632 0.024 12 0 "[ . 1 .]" 1
256 1 16 C H2' 1 16 C H3' 3.500 2.500 4.500 2.483 2.199 2.725 0.301 9 0 "[ . 1 .]" 1
257 1 9 G H1 1 16 C H41 2.500 . 3.500 3.139 2.440 3.394 . 0 0 "[ . 1 .]" 1
258 1 9 G H1 1 16 C H42 3.500 2.500 4.500 4.532 3.866 4.760 0.260 14 0 "[ . 1 .]" 1
259 1 16 C H1' 1 29 G H21 3.000 . 4.000 3.025 2.143 3.733 . 0 0 "[ . 1 .]" 1
260 1 10 U H5 1 28 A Q6 3.000 . 4.000 3.335 2.795 3.549 . 0 0 "[ . 1 .]" 1
261 1 10 U H6 1 28 A Q6 4.000 3.000 5.000 4.658 4.437 4.805 . 0 0 "[ . 1 .]" 1
262 1 16 C H2' 1 28 A H2 2.500 . 3.500 4.173 3.617 4.800 1.300 10 9 "[* * *- +*** *]" 1
263 1 10 U H3 1 28 A Q6 3.000 . 4.000 2.280 1.846 3.033 0.154 15 0 "[ . 1 .]" 1
264 1 9 G H1 1 28 A Q6 4.000 . 7.000 3.915 3.470 4.637 . 0 0 "[ . 1 .]" 1
265 1 10 U H3 1 28 A H8 3.000 . 4.000 3.595 3.195 4.007 0.007 1 0 "[ . 1 .]" 1
266 1 11 CH H41 1 28 A H8 5.000 3.000 7.000 4.545 3.226 5.004 . 0 0 "[ . 1 .]" 1
267 1 17 C H2' 1 26 A H2 3.000 . 4.000 3.843 3.363 5.180 1.180 10 2 "[ . -+ .]" 1
268 1 9 G H2' 1 27 A H61 4.000 3.000 5.000 3.811 2.986 4.411 0.014 14 0 "[ . 1 .]" 1
269 1 9 G H2' 1 27 A H62 4.000 3.000 5.000 2.940 2.837 3.351 0.163 8 0 "[ . 1 .]" 1
270 1 17 C H1' 1 27 A H61 3.500 2.500 4.500 3.587 2.149 4.466 0.351 10 0 "[ . 1 .]" 1
271 1 10 U H3 1 11 CH H41 5.000 4.000 6.000 3.882 3.654 4.098 0.346 14 0 "[ . 1 .]" 1
272 1 10 U H3 1 11 CH H42 3.500 2.500 4.500 3.672 2.942 4.287 . 0 0 "[ . 1 .]" 1
273 1 10 U H3 1 11 CH H5 4.000 3.000 5.000 4.654 4.365 5.125 0.125 11 0 "[ . 1 .]" 1
274 1 14 C H2' 1 16 C H42 5.000 4.000 6.000 4.896 4.286 5.715 . 0 0 "[ . 1 .]" 1
275 1 14 C Q4 1 29 G H1 2.710 . 4.710 1.914 1.761 2.264 . 0 0 "[ . 1 .]" 1
276 1 13 A H2 1 30 U H3 3.000 . 4.000 2.195 2.191 2.199 . 0 0 "[ . 1 .]" 1
277 1 12 G H1 1 13 A H2 3.000 . 4.000 4.099 3.988 4.171 0.171 2 0 "[ . 1 .]" 1
278 1 13 A H61 1 29 G H1 5.000 3.000 7.000 3.393 2.880 4.310 0.120 11 0 "[ . 1 .]" 1
279 1 13 A H61 1 30 U H3 3.500 2.500 4.500 3.971 3.739 4.085 . 0 0 "[ . 1 .]" 1
280 1 13 A H62 1 29 G H1 5.000 4.000 6.000 4.653 4.174 5.503 . 0 0 "[ . 1 .]" 1
281 1 13 A H62 1 30 U H3 5.000 4.000 6.000 5.295 4.836 5.472 . 0 0 "[ . 1 .]" 1
282 1 29 G H1 1 30 U H3 5.000 4.000 6.000 3.772 3.652 3.893 0.348 11 0 "[ . 1 .]" 1
283 1 12 G H1 1 12 G H1' 5.000 4.000 6.000 6.123 6.045 6.190 0.190 2 0 "[ . 1 .]" 1
284 1 12 G H1 1 31 C H41 2.500 . 3.500 2.581 2.134 3.134 . 0 0 "[ . 1 .]" 1
285 1 12 G H1 1 31 C H42 3.500 2.500 4.500 4.043 3.729 4.535 0.035 10 0 "[ . 1 .]" 1
286 1 12 G H1 1 32 A H1' 4.000 3.000 5.000 4.735 3.711 5.043 0.043 12 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 38
_Distance_constraint_stats_list.Viol_count 430
_Distance_constraint_stats_list.Viol_total 1580.614
_Distance_constraint_stats_list.Viol_max 2.352
_Distance_constraint_stats_list.Viol_rms 0.3641
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1849
_Distance_constraint_stats_list.Viol_average_violations_only 0.2451
_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 5 U 3.286 0.218 2 0 "[ . 1 .]"
1 6 C 4.173 0.279 15 0 "[ . 1 .]"
1 7 C 1.031 0.168 12 0 "[ . 1 .]"
1 8 G 1.230 0.103 6 0 "[ . 1 .]"
1 9 G 12.917 0.798 10 5 "[ - . **+ *]"
1 10 U 7.963 0.458 14 0 "[ . 1 .]"
1 11 CH 13.131 0.996 6 12 "[** *+-***** **]"
1 12 G 1.407 0.175 8 0 "[ . 1 .]"
1 13 A 17.054 0.996 6 12 "[** *+-***** **]"
1 14 C 7.076 0.454 11 0 "[ . 1 .]"
1 16 C 33.812 2.352 10 15 [***-*****+*****]
1 17 C 17.711 1.993 2 14 "[*+********* -**]"
1 18 G 1.031 0.168 12 0 "[ . 1 .]"
1 19 G 4.173 0.279 15 0 "[ . 1 .]"
1 20 A 3.286 0.218 2 0 "[ . 1 .]"
1 26 A 16.481 1.993 2 14 "[*+********* -**]"
1 27 A 10.492 0.798 10 5 "[ - . **+ *]"
1 28 A 39.350 2.352 10 15 [***-*****+*****]
1 29 G 8.447 0.454 11 0 "[ . 1 .]"
1 30 U 5.293 0.320 3 0 "[ . 1 .]"
1 31 C 1.407 0.175 8 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 5 U N3 1 20 A N1 2.800 2.700 2.900 3.002 2.841 3.114 0.214 9 0 "[ . 1 .]" 2
2 1 5 U O4 1 20 A N6 2.800 2.700 2.900 2.606 2.482 2.920 0.218 2 0 "[ . 1 .]" 2
3 1 6 C N3 1 19 G N1 2.950 2.850 3.050 2.912 2.771 3.074 0.079 1 0 "[ . 1 .]" 2
4 1 6 C N4 1 19 G O6 2.910 2.810 3.010 2.676 2.565 2.754 0.245 1 0 "[ . 1 .]" 2
5 1 6 C O2 1 19 G N2 2.860 2.760 2.960 3.097 2.998 3.239 0.279 15 0 "[ . 1 .]" 2
6 1 7 C N3 1 18 G N1 2.950 2.850 3.050 2.984 2.850 3.066 0.016 15 0 "[ . 1 .]" 2
7 1 7 C N4 1 18 G O6 2.910 2.810 3.010 2.885 2.734 3.097 0.087 14 0 "[ . 1 .]" 2
8 1 7 C O2 1 18 G N2 2.860 2.760 2.960 2.937 2.712 3.128 0.168 12 0 "[ . 1 .]" 2
9 1 8 G N1 1 17 C N3 2.950 2.850 3.050 2.877 2.795 2.974 0.055 6 0 "[ . 1 .]" 2
10 1 8 G O6 1 17 C N4 2.910 2.810 3.010 2.842 2.707 3.046 0.103 6 0 "[ . 1 .]" 2
11 1 8 G N2 1 17 C O2 2.860 2.760 2.960 2.756 2.677 2.987 0.083 10 0 "[ . 1 .]" 2
12 1 9 G N1 1 16 C N3 2.950 2.850 3.050 2.936 2.774 3.014 0.076 6 0 "[ . 1 .]" 2
13 1 9 G O6 1 16 C N4 2.910 2.810 3.010 2.732 2.522 2.884 0.288 6 0 "[ . 1 .]" 2
14 1 9 G N2 1 16 C O2 2.860 2.760 2.960 2.995 2.805 3.164 0.204 14 0 "[ . 1 .]" 2
15 1 14 C N3 1 29 G N1 2.950 2.850 3.050 2.977 2.803 3.194 0.144 5 0 "[ . 1 .]" 2
16 1 14 C N4 1 29 G O6 2.910 2.810 3.010 2.907 2.726 3.062 0.084 12 0 "[ . 1 .]" 2
17 1 14 C O2 1 29 G N2 2.860 2.760 2.960 2.807 2.472 2.998 0.288 13 0 "[ . 1 .]" 2
18 1 14 C O2 1 29 G H21 1.900 . 2.000 2.096 1.913 2.454 0.454 11 0 "[ . 1 .]" 2
19 1 14 C Q4 1 29 G O6 1.900 . 2.000 2.241 2.112 2.378 0.378 5 0 "[ . 1 .]" 2
20 1 13 A N1 1 30 U N3 2.820 2.720 2.920 3.063 2.845 3.159 0.239 12 0 "[ . 1 .]" 2
21 1 13 A N6 1 30 U O4 2.950 2.850 3.050 2.650 2.530 2.718 0.320 3 0 "[ . 1 .]" 2
22 1 11 CH O2 1 13 A N6 1.900 . 2.000 2.784 2.476 2.996 0.996 6 12 "[** *+-***** **]" 2
23 1 12 G N1 1 31 C N3 2.950 2.850 3.050 2.917 2.798 3.042 0.052 12 0 "[ . 1 .]" 2
24 1 12 G O6 1 31 C N4 2.910 2.810 3.010 2.758 2.635 2.938 0.175 8 0 "[ . 1 .]" 2
25 1 12 G N2 1 31 C O2 2.860 2.760 2.960 2.962 2.745 3.034 0.074 11 0 "[ . 1 .]" 2
26 1 11 CH N3 1 29 G O6 2.900 2.800 3.000 2.992 2.775 3.126 0.126 4 0 "[ . 1 .]" 2
27 1 11 CH N4 1 29 G N7 2.900 2.800 3.000 3.044 2.794 3.139 0.139 15 0 "[ . 1 .]" 2
28 1 10 U N3 1 28 A N7 2.900 2.800 3.000 2.974 2.860 3.092 0.092 14 0 "[ . 1 .]" 2
29 1 10 U O4 1 28 A N6 2.900 2.800 3.000 2.348 2.342 2.352 0.458 14 0 "[ . 1 .]" 2
30 1 10 U H3 1 28 A N7 1.900 . 2.000 2.054 1.931 2.171 0.171 1 0 "[ . 1 .]" 2
31 1 16 C O2' 1 28 A N1 2.900 2.800 3.000 2.511 2.297 2.671 0.503 4 1 "[ +. 1 .]" 2
32 1 16 C H2' 1 28 A N1 1.900 . 2.000 3.803 2.861 4.352 2.352 10 15 [*-*******+*****] 2
33 1 17 C O2' 1 26 A N1 2.900 2.800 3.000 2.825 2.668 3.067 0.132 11 0 "[ . 1 .]" 2
34 1 17 C H2' 1 26 A N1 1.900 . 2.000 3.054 2.340 3.993 1.993 2 14 "[*+********* -**]" 2
35 1 9 G H22 1 27 A N1 1.900 . 2.000 2.018 1.764 2.201 0.201 3 0 "[ . 1 .]" 2
36 1 9 G N3 1 27 A H61 1.900 . 2.000 2.346 1.926 2.798 0.798 10 5 "[ - . **+ *]" 2
37 1 9 G N3 1 27 A N6 2.900 2.800 3.000 2.709 2.529 3.049 0.271 3 0 "[ . 1 .]" 2
38 1 9 G N2 1 27 A N1 2.900 2.800 3.000 2.636 2.402 2.862 0.398 14 0 "[ . 1 .]" 2
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