NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
386568 |
1luu   |
5531 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1luu
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 32
_Distance_constraint_stats_list.Viol_count 86
_Distance_constraint_stats_list.Viol_total 56.164
_Distance_constraint_stats_list.Viol_max 0.596
_Distance_constraint_stats_list.Viol_rms 0.0620
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0145
_Distance_constraint_stats_list.Viol_average_violations_only 0.0594
_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 C 3.893 0.596 9 2 "[ . +- ]"
1 2 C 3.997 0.596 9 2 "[ . +- ]"
1 3 A 0.081 0.027 1 0 "[ . 1 ]"
1 4 G 0.835 0.061 8 0 "[ . 1 ]"
1 5 A 0.481 0.057 7 0 "[ . 1 ]"
1 13 U 0.000 0.000 . 0 "[ . 1 ]"
1 15 U 0.589 0.061 8 0 "[ . 1 ]"
1 16 G 0.212 0.031 1 0 "[ . 1 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 G H1 1 15 U H3 . . 4.500 3.365 3.027 3.592 . 0 0 "[ . 1 ]" 1
2 1 15 U H3 1 16 G H1 . . 6.000 5.297 5.015 5.563 . 0 0 "[ . 1 ]" 1
3 1 2 C H41 1 16 G H1 . . 3.500 1.918 1.894 1.955 . 0 0 "[ . 1 ]" 1
4 1 1 C H41 1 16 G H1 . . 6.000 3.804 3.384 4.117 . 0 0 "[ . 1 ]" 1
5 1 4 G H21 1 15 U H3 . . 6.000 4.536 4.356 4.729 . 0 0 "[ . 1 ]" 1
6 1 5 A H2 1 13 U H3 . . 3.500 2.847 2.491 3.177 . 0 0 "[ . 1 ]" 1
7 1 4 G H1 1 5 A H2 . . 4.500 4.533 4.514 4.557 0.057 7 0 "[ . 1 ]" 1
8 1 3 A H61 1 4 G H1 . . 4.500 4.454 4.374 4.514 0.014 10 0 "[ . 1 ]" 1
9 1 5 A H61 1 13 U H3 . . 4.500 2.499 2.096 2.958 . 0 0 "[ . 1 ]" 1
10 1 3 A H61 1 15 U H3 . . 4.500 1.955 1.867 2.001 . 0 0 "[ . 1 ]" 1
11 1 2 C H42 1 16 G H1 . . 3.500 3.505 3.466 3.531 0.031 1 0 "[ . 1 ]" 1
12 1 3 A H2 1 16 G H1 . . 6.000 5.744 4.893 6.006 0.006 4 0 "[ . 1 ]" 1
13 1 3 A H2 1 15 U H3 . . 3.500 3.298 3.212 3.343 . 0 0 "[ . 1 ]" 1
14 1 3 A H62 1 15 U H3 . . 3.500 3.482 3.416 3.527 0.027 1 0 "[ . 1 ]" 1
15 1 4 G H1 1 5 A H1' . . 4.500 4.474 4.358 4.529 0.029 10 0 "[ . 1 ]" 1
16 1 15 U H3 1 16 G H1' . . 6.000 6.001 5.960 6.027 0.027 10 0 "[ . 1 ]" 1
17 1 15 U H1' 1 15 U H3 . . 4.500 4.511 4.502 4.540 0.040 6 0 "[ . 1 ]" 1
18 1 4 G H1 1 15 U H1' . . 4.500 4.528 4.478 4.561 0.061 8 0 "[ . 1 ]" 1
19 1 4 G H1 1 15 U H5 . . 6.000 5.082 4.837 5.288 . 0 0 "[ . 1 ]" 1
20 1 4 G H21 1 15 U H1' . . 3.500 3.136 2.956 3.259 . 0 0 "[ . 1 ]" 1
21 1 1 C H41 1 2 C H5 . . 6.000 4.936 4.638 5.222 . 0 0 "[ . 1 ]" 1
22 1 1 C H5 1 2 C H42 . . 6.000 3.572 3.317 3.801 . 0 0 "[ . 1 ]" 1
23 1 2 C H41 1 3 A H62 . . 3.500 2.741 2.538 2.997 . 0 0 "[ . 1 ]" 1
24 1 1 C H5 1 2 C H41 . . 4.500 4.736 4.520 5.096 0.596 9 2 "[ . +- ]" 1
25 1 1 C H41 1 2 C H42 . . 3.500 3.531 3.372 3.823 0.323 8 0 "[ . 1 ]" 1
26 1 2 C H41 1 3 A H61 . . 3.500 3.204 3.088 3.349 . 0 0 "[ . 1 ]" 1
27 1 1 C H42 1 2 C H41 . . 3.500 3.494 3.327 3.792 0.292 9 0 "[ . 1 ]" 1
28 1 3 A H62 1 16 G H1 . . 6.000 3.945 3.355 4.435 . 0 0 "[ . 1 ]" 1
29 1 4 G H21 1 5 A H1' . . 3.500 3.363 3.166 3.556 0.056 10 0 "[ . 1 ]" 1
30 1 13 U H5 1 13 U H6 . . 2.725 2.308 2.296 2.322 . 0 0 "[ . 1 ]" 1
31 1 15 U H5 1 15 U H6 . . 2.868 2.389 2.364 2.396 . 0 0 "[ . 1 ]" 1
32 1 2 C H5 1 2 C H6 . . 2.814 2.406 2.384 2.432 . 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 198
_Distance_constraint_stats_list.Viol_count 533
_Distance_constraint_stats_list.Viol_total 469.819
_Distance_constraint_stats_list.Viol_max 1.185
_Distance_constraint_stats_list.Viol_rms 0.0908
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0196
_Distance_constraint_stats_list.Viol_average_violations_only 0.0801
_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 C 2.318 0.103 6 0 "[ . 1 ]"
1 2 C 1.510 0.060 10 0 "[ . 1 ]"
1 3 A 1.872 0.252 1 0 "[ . 1 ]"
1 4 G 3.017 0.340 5 0 "[ . 1 ]"
1 5 A 3.788 0.396 3 0 "[ . 1 ]"
1 6 OMC 3.945 0.112 8 0 "[ . 1 ]"
1 7 U 2.659 0.112 8 0 "[ . 1 ]"
1 8 OMG 3.903 0.262 1 0 "[ . 1 ]"
1 9 A 3.730 0.262 1 0 "[ . 1 ]"
1 10 A 2.600 0.672 11 1 "[ . 1+]"
1 11 1MG 17.612 1.185 3 10 "[ *+*******-]"
1 12 A 19.095 1.185 3 10 "[ *+*******-]"
1 13 U 2.653 0.165 1 0 "[ . 1 ]"
1 14 5MC 0.593 0.049 8 0 "[ . 1 ]"
1 15 U 0.538 0.049 3 0 "[ . 1 ]"
1 16 G 0.584 0.043 3 0 "[ . 1 ]"
1 17 G 1.778 0.085 7 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 C O2 1 17 G N2 . 2.850 3.000 2.978 2.922 3.021 0.021 8 0 "[ . 1 ]" 2
2 1 1 C N3 1 17 G N1 . 2.880 2.910 2.963 2.945 2.974 0.064 3 0 "[ . 1 ]" 2
3 1 1 C N4 1 17 G O6 . 2.720 2.910 2.900 2.861 2.922 0.012 6 0 "[ . 1 ]" 2
4 1 2 C O2 1 16 G N2 . 2.850 3.000 2.899 2.867 2.928 . 0 0 "[ . 1 ]" 2
5 1 2 C N3 1 16 G N1 . 2.880 2.920 2.951 2.936 2.963 0.043 3 0 "[ . 1 ]" 2
6 1 2 C N4 1 16 G O6 . 2.720 2.910 2.924 2.912 2.940 0.030 5 0 "[ . 1 ]" 2
7 1 3 A N1 1 15 U N3 . 2.880 2.950 2.882 2.859 2.908 0.021 3 0 "[ . 1 ]" 2
8 1 3 A N6 1 15 U O4 . 2.830 2.910 2.948 2.922 2.959 0.049 3 0 "[ . 1 ]" 2
9 1 4 G N2 1 14 5MC O2 . 2.850 3.000 2.994 2.961 3.020 0.020 2 0 "[ . 1 ]" 2
10 1 4 G N1 1 14 5MC N3 . 2.880 2.920 2.938 2.920 2.947 0.027 11 0 "[ . 1 ]" 2
11 1 4 G O6 1 14 5MC N4 . 2.720 2.910 2.792 2.764 2.843 . 0 0 "[ . 1 ]" 2
12 1 5 A N1 1 13 U N3 . 2.880 2.950 2.933 2.906 2.966 0.016 10 0 "[ . 1 ]" 2
13 1 5 A N6 1 13 U O4 . 2.820 2.910 2.943 2.932 2.959 0.049 1 0 "[ . 1 ]" 2
14 1 9 A H1' 1 10 A H8 . 5.500 100.000 5.463 5.405 5.497 0.095 1 0 "[ . 1 ]" 2
15 1 6 OMC O2 1 12 A N1 . 2.720 2.920 2.720 2.703 2.746 0.017 1 0 "[ . 1 ]" 2
16 1 6 OMC N3 1 12 A N6 . 2.720 2.920 2.980 2.970 2.989 0.069 1 0 "[ . 1 ]" 2
17 1 12 A H8 1 13 U H6 4.115 2.743 4.115 4.152 4.113 4.184 0.069 9 0 "[ . 1 ]" 2
18 1 6 OMC H4' 1 6 OMC H6 4.000 . 4.000 4.073 4.057 4.085 0.085 3 0 "[ . 1 ]" 2
19 1 17 G H2' 1 17 G H8 3.328 2.219 3.328 3.336 3.226 3.395 0.067 7 0 "[ . 1 ]" 2
20 1 17 G H3' 1 17 G H8 3.078 2.052 3.078 2.535 2.327 2.767 . 0 0 "[ . 1 ]" 2
21 1 4 G H5' 1 4 G H8 3.847 2.564 3.847 3.882 3.807 4.187 0.340 5 0 "[ . 1 ]" 2
22 1 4 G H4' 1 4 G H8 6.000 . 6.000 4.322 4.148 4.469 . 0 0 "[ . 1 ]" 2
23 1 4 G H3' 1 4 G H8 6.000 . 6.000 3.083 2.692 3.546 . 0 0 "[ . 1 ]" 2
24 1 4 G H2' 1 4 G H8 3.942 2.628 3.942 4.002 3.948 4.071 0.129 7 0 "[ . 1 ]" 2
25 1 3 A H2' 1 4 G H8 2.841 . 2.841 2.372 2.286 2.537 . 0 0 "[ . 1 ]" 2
26 1 3 A H3' 1 4 G H8 3.145 2.097 3.145 3.133 2.910 3.213 0.068 7 0 "[ . 1 ]" 2
27 1 16 G H2' 1 17 G H8 6.000 . 6.000 2.420 2.374 2.512 . 0 0 "[ . 1 ]" 2
28 1 16 G H3' 1 17 G H8 6.000 . 6.000 3.749 3.303 4.238 . 0 0 "[ . 1 ]" 2
29 1 5 A Q5' 1 5 A H8 3.849 2.566 3.849 2.903 2.170 3.731 0.396 3 0 "[ . 1 ]" 2
30 1 7 U H5'' 1 7 U H6 3.275 2.183 3.275 2.237 2.133 2.401 0.050 3 0 "[ . 1 ]" 2
31 1 7 U H2' 1 8 OMG H8 3.492 2.328 3.492 3.532 3.500 3.572 0.080 3 0 "[ . 1 ]" 2
32 1 1 C H2' 1 1 C H6 6.000 . 6.000 3.873 3.794 3.963 . 0 0 "[ . 1 ]" 2
33 1 1 C H3' 1 1 C H6 6.000 . 6.000 3.258 3.008 3.652 . 0 0 "[ . 1 ]" 2
34 1 12 A H4' 1 12 A H8 6.000 . 6.000 4.463 4.251 4.690 . 0 0 "[ . 1 ]" 2
35 1 12 A H3' 1 12 A H8 6.000 . 6.000 3.450 2.766 4.200 . 0 0 "[ . 1 ]" 2
36 1 8 OMG H8 1 9 A H2' 5.000 3.000 5.000 2.921 2.873 2.976 0.127 1 0 "[ . 1 ]" 2
37 1 8 OMG H2' 1 8 OMG H8 6.000 . 6.000 2.331 2.190 2.561 . 0 0 "[ . 1 ]" 2
38 1 7 U H3' 1 8 OMG H8 6.000 . 6.000 5.058 4.903 5.235 . 0 0 "[ . 1 ]" 2
39 1 11 1MG H4' 1 12 A H8 3.666 2.444 3.666 4.259 3.726 4.702 1.036 9 7 "[ ** * *-+* ]" 2
40 1 12 A H2' 1 12 A H8 3.430 2.287 3.430 3.460 3.431 3.498 0.068 9 0 "[ . 1 ]" 2
41 1 11 1MG H3' 1 12 A H8 6.000 . 6.000 5.101 4.845 5.465 . 0 0 "[ . 1 ]" 2
42 1 11 1MG H2' 1 12 A H8 5.000 3.000 5.000 4.710 4.297 4.949 . 0 0 "[ . 1 ]" 2
43 1 10 A H2' 1 10 A H8 3.785 2.523 3.785 2.799 2.491 3.836 0.051 4 0 "[ . 1 ]" 2
44 1 2 C H3' 1 2 C H6 2.699 . 2.699 2.593 2.400 2.740 0.041 10 0 "[ . 1 ]" 2
45 1 3 A H2' 1 3 A H8 6.000 . 6.000 4.113 3.951 4.232 . 0 0 "[ . 1 ]" 2
46 1 3 A H3' 1 3 A H8 6.000 . 6.000 3.044 2.608 3.596 . 0 0 "[ . 1 ]" 2
47 1 8 OMG H3' 1 8 OMG H8 3.558 2.372 3.558 3.124 2.603 3.564 0.006 7 0 "[ . 1 ]" 2
48 1 8 OMG H8 1 9 A H3' 5.000 3.000 5.000 3.691 2.957 4.824 0.043 7 0 "[ . 1 ]" 2
49 1 3 A H4' 1 3 A H8 6.000 . 6.000 4.180 4.008 4.289 . 0 0 "[ . 1 ]" 2
50 1 10 A H4' 1 10 A H8 6.000 . 6.000 5.044 4.374 5.299 . 0 0 "[ . 1 ]" 2
51 1 2 C H2' 1 2 C H6 6.000 . 6.000 3.450 3.179 3.875 . 0 0 "[ . 1 ]" 2
52 1 1 C H3' 1 2 C H6 2.987 . 2.987 3.011 2.949 3.047 0.060 10 0 "[ . 1 ]" 2
53 1 1 C H4' 1 1 C H6 4.106 2.737 4.106 4.198 4.185 4.209 0.103 6 0 "[ . 1 ]" 2
54 1 3 A Q5' 1 3 A H8 3.249 2.166 3.249 2.528 1.914 3.171 0.252 1 0 "[ . 1 ]" 2
55 1 14 5MC H2' 1 15 U H6 2.489 . 2.489 2.355 2.170 2.482 . 0 0 "[ . 1 ]" 2
56 1 13 U H2' 1 14 5MC H6 2.554 . 2.554 2.512 2.380 2.561 0.007 8 0 "[ . 1 ]" 2
57 1 15 U H4' 1 15 U H6 6.000 . 6.000 4.258 4.045 4.346 . 0 0 "[ . 1 ]" 2
58 1 9 A H2' 1 9 A H8 4.735 3.157 4.735 4.399 4.184 4.737 0.002 4 0 "[ . 1 ]" 2
59 1 14 5MC H3' 1 14 5MC H6 2.422 . 2.422 2.445 2.428 2.471 0.049 8 0 "[ . 1 ]" 2
60 1 15 U H3' 1 15 U H6 6.000 . 6.000 3.040 2.660 3.413 . 0 0 "[ . 1 ]" 2
61 1 15 U H2' 1 15 U H6 6.000 . 6.000 3.778 3.519 4.333 . 0 0 "[ . 1 ]" 2
62 1 13 U H3' 1 14 5MC H6 6.000 . 6.000 4.088 3.894 4.337 . 0 0 "[ . 1 ]" 2
63 1 7 U H5' 1 7 U H6 3.711 2.474 3.711 3.602 3.305 3.776 0.065 1 0 "[ . 1 ]" 2
64 1 13 U H2' 1 13 U H6 6.000 . 6.000 3.834 3.634 3.965 . 0 0 "[ . 1 ]" 2
65 1 13 U H3' 1 13 U H6 6.000 . 6.000 3.395 3.103 3.833 . 0 0 "[ . 1 ]" 2
66 1 16 G H2' 1 16 G H8 6.000 . 6.000 3.838 3.616 4.092 . 0 0 "[ . 1 ]" 2
67 1 16 G H3' 1 16 G H8 6.000 . 6.000 3.365 3.030 3.902 . 0 0 "[ . 1 ]" 2
68 1 7 U H3' 1 7 U H6 4.000 . 4.000 4.018 3.937 4.045 0.045 9 0 "[ . 1 ]" 2
69 1 15 U H2' 1 16 G H8 2.530 . 2.530 2.306 2.259 2.440 . 0 0 "[ . 1 ]" 2
70 1 12 A H2' 1 13 U H6 2.576 . 2.576 2.300 2.187 2.456 . 0 0 "[ . 1 ]" 2
71 1 7 U H4' 1 7 U H6 5.000 3.000 5.000 4.142 4.071 4.220 . 0 0 "[ . 1 ]" 2
72 1 7 U H2' 1 7 U H6 4.000 . 4.000 3.627 3.282 4.050 0.050 4 0 "[ . 1 ]" 2
73 1 5 A H2' 1 6 OMC H6 2.594 . 2.594 2.556 2.442 2.603 0.009 9 0 "[ . 1 ]" 2
74 1 6 OMC H3' 1 6 OMC H6 4.000 . 4.000 2.944 2.803 3.265 . 0 0 "[ . 1 ]" 2
75 1 5 A H3' 1 6 OMC H6 6.000 . 6.000 2.923 2.652 3.485 . 0 0 "[ . 1 ]" 2
76 1 5 A H2' 1 5 A H8 6.000 . 6.000 4.353 4.097 4.499 . 0 0 "[ . 1 ]" 2
77 1 4 G H2' 1 5 A H8 6.000 . 6.000 2.032 1.983 2.126 . 0 0 "[ . 1 ]" 2
78 1 5 A H4' 1 5 A H8 5.000 . 5.000 4.423 4.233 4.605 . 0 0 "[ . 1 ]" 2
79 1 5 A H3' 1 5 A H8 6.000 . 6.000 3.756 3.593 4.477 . 0 0 "[ . 1 ]" 2
80 1 11 1MG H2' 1 11 1MG H8 6.000 . 6.000 3.419 2.384 3.724 . 0 0 "[ . 1 ]" 2
81 1 11 1MG H3' 1 11 1MG H8 6.000 . 6.000 4.546 2.963 5.041 . 0 0 "[ . 1 ]" 2
82 1 10 A H3' 1 10 A H8 6.000 . 6.000 4.971 4.815 5.460 . 0 0 "[ . 1 ]" 2
83 1 10 A H1' 1 10 A H2' 3.254 2.169 3.254 3.036 2.961 3.059 . 0 0 "[ . 1 ]" 2
84 1 8 OMG H1' 1 8 OMG H3' 4.262 2.841 4.262 3.994 3.983 4.014 . 0 0 "[ . 1 ]" 2
85 1 11 1MG H1' 1 11 1MG H2' 6.000 . 6.000 2.977 2.859 3.017 . 0 0 "[ . 1 ]" 2
86 1 10 A H1' 1 10 A H3' 6.000 . 6.000 3.665 3.608 3.761 . 0 0 "[ . 1 ]" 2
87 1 11 1MG H1' 1 11 1MG H3' 6.000 . 6.000 3.970 3.902 4.132 . 0 0 "[ . 1 ]" 2
88 1 3 A H1' 1 3 A H3' 5.000 3.000 5.000 3.836 3.788 3.950 . 0 0 "[ . 1 ]" 2
89 1 3 A H1' 1 3 A H2' 3.544 2.363 3.544 2.735 2.707 2.810 . 0 0 "[ . 1 ]" 2
90 1 3 A H1' 1 3 A H4' 4.036 2.691 4.036 3.476 3.357 3.579 . 0 0 "[ . 1 ]" 2
91 1 11 1MG H1' 1 11 1MG H4' 3.999 2.666 3.999 3.461 2.755 3.719 . 0 0 "[ . 1 ]" 2
92 1 10 A H1' 1 10 A H4' 3.498 2.332 3.498 3.155 2.943 3.538 0.040 4 0 "[ . 1 ]" 2
93 1 5 A H1' 1 5 A H2' 3.583 2.388 3.583 2.785 2.732 2.941 . 0 0 "[ . 1 ]" 2
94 1 5 A H1' 1 5 A H4' 4.292 2.861 4.292 3.432 3.053 3.650 . 0 0 "[ . 1 ]" 2
95 1 5 A H1' 1 5 A H3' 3.832 2.555 3.832 3.853 3.837 3.897 0.065 10 0 "[ . 1 ]" 2
96 1 8 OMG H1' 1 8 OMG H4' 3.673 2.448 3.673 3.172 2.820 3.683 0.010 6 0 "[ . 1 ]" 2
97 1 17 G H1' 1 17 G H3' 3.639 2.426 3.639 3.712 3.707 3.724 0.085 7 0 "[ . 1 ]" 2
98 1 17 G H1' 1 17 G H2' 3.564 2.376 3.564 2.830 2.770 2.884 . 0 0 "[ . 1 ]" 2
99 1 6 OMC H1' 1 6 OMC H4' 3.144 2.096 3.144 3.092 3.047 3.133 . 0 0 "[ . 1 ]" 2
100 1 2 C H1' 1 2 C H2' 2.844 . 2.844 2.834 2.741 2.881 0.037 8 0 "[ . 1 ]" 2
101 1 16 G H1' 1 16 G H3' 6.000 . 6.000 3.866 3.831 3.945 . 0 0 "[ . 1 ]" 2
102 1 8 OMG H1' 1 8 OMG H2' 6.000 . 6.000 2.904 2.739 3.002 . 0 0 "[ . 1 ]" 2
103 1 16 G H1' 1 16 G H2' 6.000 . 6.000 2.857 2.755 2.958 . 0 0 "[ . 1 ]" 2
104 1 7 U H1' 1 7 U H4' 6.000 . 6.000 3.410 3.254 3.625 . 0 0 "[ . 1 ]" 2
105 1 7 U H1' 1 7 U H2' 6.000 . 6.000 2.939 2.845 3.001 . 0 0 "[ . 1 ]" 2
106 1 1 C H1' 1 1 C H4' 6.000 . 6.000 2.872 2.783 2.966 . 0 0 "[ . 1 ]" 2
107 1 6 OMC H1' 1 6 OMC H2' 6.000 . 6.000 2.862 2.812 2.893 . 0 0 "[ . 1 ]" 2
108 1 9 A H1' 1 9 A H4' 3.448 2.299 3.448 2.954 2.775 3.118 . 0 0 "[ . 1 ]" 2
109 1 14 5MC H1' 1 14 5MC H2' 6.000 . 6.000 2.788 2.751 2.805 . 0 0 "[ . 1 ]" 2
110 1 12 A H1' 1 12 A H2' 3.265 2.177 3.265 2.932 2.827 3.007 . 0 0 "[ . 1 ]" 2
111 1 15 U H1' 1 15 U H3' 6.000 . 6.000 3.867 3.814 3.957 . 0 0 "[ . 1 ]" 2
112 1 15 U H1' 1 15 U H2' 6.000 . 6.000 2.841 2.732 2.931 . 0 0 "[ . 1 ]" 2
113 1 9 A H1' 1 9 A H3' 6.000 . 6.000 3.581 3.513 3.635 . 0 0 "[ . 1 ]" 2
114 1 2 C H1' 1 2 C H3' 6.000 . 6.000 3.797 3.756 3.829 . 0 0 "[ . 1 ]" 2
115 1 7 U H1' 1 7 U H3' 4.221 2.814 4.221 3.995 3.965 4.011 . 0 0 "[ . 1 ]" 2
116 1 12 A H1' 1 12 A H4' 6.000 . 6.000 2.737 2.293 3.068 . 0 0 "[ . 1 ]" 2
117 1 14 5MC H1' 1 14 5MC H3' 6.000 . 6.000 3.822 3.794 3.840 . 0 0 "[ . 1 ]" 2
118 1 1 C H1' 1 1 C H3' 6.000 . 6.000 3.816 3.778 3.864 . 0 0 "[ . 1 ]" 2
119 1 1 C H1' 1 1 C H2' 6.000 . 6.000 2.854 2.818 2.901 . 0 0 "[ . 1 ]" 2
120 1 12 A H1' 1 12 A H3' 6.000 . 6.000 3.879 3.787 3.962 . 0 0 "[ . 1 ]" 2
121 1 9 A H1' 1 9 A H2' 6.000 . 6.000 2.873 2.816 2.958 . 0 0 "[ . 1 ]" 2
122 1 4 G H1' 1 4 G H3' 6.000 . 6.000 3.801 3.715 3.903 . 0 0 "[ . 1 ]" 2
123 1 15 U H1' 1 15 U H4' 3.965 2.643 3.965 3.190 3.041 3.638 . 0 0 "[ . 1 ]" 2
124 1 6 OMC H1' 1 6 OMC H3' 6.000 . 6.000 3.907 3.868 3.964 . 0 0 "[ . 1 ]" 2
125 1 12 A H2' 1 13 U H5 4.013 2.675 4.013 3.904 3.781 4.025 0.012 5 0 "[ . 1 ]" 2
126 1 12 A H2' 1 13 U H1' 6.000 . 6.000 4.233 4.099 4.505 . 0 0 "[ . 1 ]" 2
127 1 5 A H2' 1 6 OMC H5 4.129 2.753 4.129 3.885 3.526 4.031 . 0 0 "[ . 1 ]" 2
128 1 15 U H2' 1 15 U H5 6.000 . 6.000 5.334 5.131 5.779 . 0 0 "[ . 1 ]" 2
129 1 14 5MC H3' 1 15 U H5 3.637 2.425 3.637 3.560 3.421 3.642 0.005 8 0 "[ . 1 ]" 2
130 1 12 A H3' 1 13 U H5 6.000 . 6.000 4.635 3.692 5.353 . 0 0 "[ . 1 ]" 2
131 1 13 U H3' 1 13 U H5 6.000 . 6.000 5.324 5.101 5.810 . 0 0 "[ . 1 ]" 2
132 1 13 U H1' 1 13 U H3' 6.000 . 6.000 3.872 3.827 3.946 . 0 0 "[ . 1 ]" 2
133 1 13 U H1' 1 13 U H2' 3.005 2.004 3.005 2.862 2.811 2.911 . 0 0 "[ . 1 ]" 2
134 1 14 5MC H2' 1 15 U H5 5.230 2.820 5.230 3.882 3.751 4.107 . 0 0 "[ . 1 ]" 2
135 1 10 A H2' 1 10 A H3' 3.000 . 3.000 2.447 2.413 2.475 . 0 0 "[ . 1 ]" 2
136 1 11 1MG H3' 1 11 1MG H4' 3.000 . 3.000 2.790 2.689 3.009 0.009 6 0 "[ . 1 ]" 2
137 1 10 A H3' 1 10 A H4' 2.560 . 2.560 2.646 2.616 2.673 0.113 1 0 "[ . 1 ]" 2
138 1 10 A H2' 1 10 A H4' 6.000 . 6.000 3.705 3.658 3.734 . 0 0 "[ . 1 ]" 2
139 1 8 OMG H2' 1 8 OMG H3' 6.000 . 6.000 2.274 2.208 2.376 . 0 0 "[ . 1 ]" 2
140 1 8 OMG H3' 1 8 OMG H4' 3.071 2.047 3.071 2.967 2.953 2.979 . 0 0 "[ . 1 ]" 2
141 1 6 OMC H4' 1 7 U H4' 6.000 . 6.000 6.043 5.919 6.112 0.112 8 0 "[ . 1 ]" 2
142 1 6 OMC H3' 1 6 OMC H4' 6.000 . 6.000 2.960 2.934 2.977 . 0 0 "[ . 1 ]" 2
143 1 6 OMC H2' 1 6 OMC H4' 3.601 2.401 3.601 3.696 3.677 3.710 0.109 8 0 "[ . 1 ]" 2
144 1 12 A H8 1 13 U H5 4.424 2.949 4.424 3.619 3.501 3.749 . 0 0 "[ . 1 ]" 2
145 1 12 A H2 1 13 U H1' 3.816 2.544 3.816 3.833 3.820 3.850 0.034 8 0 "[ . 1 ]" 2
146 1 13 U H1' 1 14 5MC H6 6.501 4.334 6.501 5.070 4.992 5.230 . 0 0 "[ . 1 ]" 2
147 1 13 U H1' 1 13 U H6 6.297 4.001 6.297 3.852 3.836 3.870 0.165 1 0 "[ . 1 ]" 2
148 1 6 OMC H5 1 6 OMC H6 2.803 . 2.803 2.436 2.425 2.444 . 0 0 "[ . 1 ]" 2
149 1 1 C H1' 1 1 C H6 3.837 2.558 3.837 3.533 3.484 3.565 . 0 0 "[ . 1 ]" 2
150 1 6 OMC H1' 1 12 A H2 5.000 3.000 5.000 4.832 4.737 4.919 . 0 0 "[ . 1 ]" 2
151 1 12 A H1' 1 12 A H8 3.620 2.414 3.620 3.668 3.654 3.713 0.093 1 0 "[ . 1 ]" 2
152 1 1 C H1' 1 2 C H6 5.000 3.000 5.000 5.023 5.005 5.042 0.042 10 0 "[ . 1 ]" 2
153 1 2 C H1' 1 2 C H6 5.165 3.443 5.165 3.714 3.673 3.743 . 0 0 "[ . 1 ]" 2
154 1 10 A H2 1 12 A H1' 5.490 3.660 5.490 4.944 4.220 5.497 0.007 8 0 "[ . 1 ]" 2
155 1 2 C H1' 1 3 A H8 6.000 . 6.000 5.244 4.843 5.568 . 0 0 "[ . 1 ]" 2
156 1 8 OMG H8 1 9 A H1' 5.000 3.000 5.000 5.189 5.138 5.262 0.262 1 0 "[ . 1 ]" 2
157 1 7 U H1' 1 8 OMG H8 5.477 3.652 5.477 5.492 5.444 5.530 0.053 3 0 "[ . 1 ]" 2
158 1 7 U H1' 1 12 A H2 5.106 3.404 5.106 4.426 4.092 4.809 . 0 0 "[ . 1 ]" 2
159 1 8 OMG H1' 1 8 OMG H8 4.029 2.686 4.029 3.957 3.935 3.979 . 0 0 "[ . 1 ]" 2
160 1 10 A H1' 1 11 1MG H8 6.000 . 6.000 5.718 4.884 6.672 0.672 11 1 "[ . 1+]" 2
161 1 3 A H1' 1 3 A H8 4.525 3.016 4.525 3.770 3.724 3.850 . 0 0 "[ . 1 ]" 2
162 1 11 1MG H1' 1 11 1MG H8 6.000 . 6.000 3.771 3.516 3.871 . 0 0 "[ . 1 ]" 2
163 1 1 C H5 1 1 C H6 3.188 2.125 3.188 2.411 2.397 2.426 . 0 0 "[ . 1 ]" 2
164 1 9 A H1' 1 9 A H8 4.067 2.711 4.067 3.314 2.996 3.514 . 0 0 "[ . 1 ]" 2
165 1 15 U H1' 1 15 U H6 4.130 2.753 4.130 3.634 3.494 3.687 . 0 0 "[ . 1 ]" 2
166 1 12 A H1' 1 13 U H6 5.181 3.454 5.181 5.030 4.921 5.187 0.006 1 0 "[ . 1 ]" 2
167 1 4 G H1' 1 5 A H8 4.008 2.672 4.008 4.134 4.104 4.204 0.196 1 0 "[ . 1 ]" 2
168 1 6 OMC H1' 1 6 OMC H6 4.447 2.965 4.447 3.602 3.574 3.631 . 0 0 "[ . 1 ]" 2
169 1 6 OMC H1' 1 7 U H6 4.406 2.937 4.406 4.448 4.426 4.466 0.060 2 0 "[ . 1 ]" 2
170 1 7 U H1' 1 7 U H6 3.754 2.503 3.754 3.587 3.413 3.672 . 0 0 "[ . 1 ]" 2
171 1 16 G H1' 1 16 G H8 4.086 2.724 4.086 3.802 3.772 3.848 . 0 0 "[ . 1 ]" 2
172 1 16 G H1' 1 17 G H8 5.008 3.339 5.008 5.003 4.933 5.027 0.019 7 0 "[ . 1 ]" 2
173 1 17 G H1' 1 17 G H8 4.970 3.313 4.970 3.870 3.827 3.886 . 0 0 "[ . 1 ]" 2
174 1 5 A H1' 1 5 A H8 4.000 . 4.000 3.624 3.576 3.676 . 0 0 "[ . 1 ]" 2
175 1 5 A H1' 1 6 OMC H6 5.476 3.651 5.476 5.154 5.067 5.330 . 0 0 "[ . 1 ]" 2
176 1 3 A H2 1 16 G H1' 4.900 3.267 4.900 4.198 3.574 4.701 . 0 0 "[ . 1 ]" 2
177 1 3 A H1' 1 4 G H8 5.859 3.906 5.859 4.908 4.777 5.010 . 0 0 "[ . 1 ]" 2
178 1 4 G H1' 1 4 G H8 5.077 3.385 5.077 3.753 3.705 3.796 . 0 0 "[ . 1 ]" 2
179 1 3 A H2 1 4 G H1' 4.292 2.861 4.292 4.026 3.784 4.288 . 0 0 "[ . 1 ]" 2
180 1 6 OMC H6 1 7 U H5 6.271 4.181 6.271 6.097 5.633 6.305 0.034 6 0 "[ . 1 ]" 2
181 1 7 U H5 1 7 U H6 2.668 . 2.668 2.394 2.379 2.408 . 0 0 "[ . 1 ]" 2
182 1 15 U H1' 1 16 G H8 6.000 . 6.000 4.965 4.824 5.159 . 0 0 "[ . 1 ]" 2
183 1 5 A H1' 1 5 A H2 6.928 4.619 6.928 4.858 4.770 4.981 . 0 0 "[ . 1 ]" 2
184 1 1 C H6 1 2 C H5 5.560 3.707 5.560 3.741 3.683 3.886 0.024 7 0 "[ . 1 ]" 2
185 1 14 5MC H1' 1 15 U H6 6.000 . 6.000 5.000 4.655 5.147 . 0 0 "[ . 1 ]" 2
186 1 14 5MC H1' 1 14 5MC H6 6.000 . 6.000 3.682 3.651 3.697 . 0 0 "[ . 1 ]" 2
187 1 9 A H2 1 10 A H1' 4.141 2.760 4.141 4.149 3.934 4.237 0.096 6 0 "[ . 1 ]" 2
188 1 11 1MG H1' 1 12 A H8 4.969 3.313 4.969 2.367 2.128 2.841 1.185 3 10 "[ *+*******-]" 2
189 1 8 OMG H4' 1 8 OMG H8 5.000 3.000 5.000 4.977 4.774 5.042 0.042 1 0 "[ . 1 ]" 2
190 1 2 C H2' 1 3 A H8 2.770 . 2.770 2.509 2.112 2.798 0.028 8 0 "[ . 1 ]" 2
191 1 11 1MG H4' 1 11 1MG H8 6.000 . 6.000 4.380 4.180 4.901 . 0 0 "[ . 1 ]" 2
192 1 1 C H2' 1 2 C H6 6.000 . 6.000 2.390 2.285 2.530 . 0 0 "[ . 1 ]" 2
193 1 4 G H1' 1 4 G H2' 6.000 . 6.000 2.639 2.540 2.756 . 0 0 "[ . 1 ]" 2
194 1 14 5MC H2' 1 15 U H1' 3.950 2.634 3.950 3.929 3.852 3.965 0.015 11 0 "[ . 1 ]" 2
195 1 13 U H2' 1 13 U H5 6.116 4.077 6.116 5.219 5.051 5.346 . 0 0 "[ . 1 ]" 2
196 1 5 A H8 1 6 OMC H5 4.036 2.691 4.036 4.062 4.024 4.091 0.055 8 0 "[ . 1 ]" 2
197 1 5 A H2 1 14 5MC H1' 6.000 . 6.000 4.774 4.508 4.934 . 0 0 "[ . 1 ]" 2
198 1 5 A H2 1 6 OMC H1' 6.000 . 6.000 3.215 2.895 3.503 . 0 0 "[ . 1 ]" 2
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