NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
511355 |
2la5   |
17504 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2la5
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 382
_Distance_constraint_stats_list.Viol_count 247
_Distance_constraint_stats_list.Viol_total 155.394
_Distance_constraint_stats_list.Viol_max 0.291
_Distance_constraint_stats_list.Viol_rms 0.0227
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0041
_Distance_constraint_stats_list.Viol_average_violations_only 0.0629
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 G 0.020 0.012 9 0 "[ . 1]"
1 2 C 0.596 0.172 4 0 "[ . 1]"
1 3 U 0.407 0.196 3 0 "[ . 1]"
1 4 G 0.245 0.047 5 0 "[ . 1]"
1 5 C 3.119 0.228 4 0 "[ . 1]"
1 6 G 0.322 0.151 7 0 "[ . 1]"
1 7 G 1.476 0.151 7 0 "[ . 1]"
1 8 U 1.527 0.190 7 0 "[ . 1]"
1 9 G 0.425 0.062 6 0 "[ . 1]"
1 11 G 0.000 0.000 . 0 "[ . 1]"
1 12 G 1.488 0.190 7 0 "[ . 1]"
1 13 A 0.051 0.051 8 0 "[ . 1]"
1 14 A 0.519 0.057 5 0 "[ . 1]"
1 15 G 0.805 0.096 2 0 "[ . 1]"
1 16 G 0.669 0.096 2 0 "[ . 1]"
1 17 A 2.215 0.219 7 0 "[ . 1]"
1 18 G 2.288 0.219 7 0 "[ . 1]"
1 19 U 0.313 0.120 9 0 "[ . 1]"
1 20 G 0.320 0.120 9 0 "[ . 1]"
1 21 G 0.064 0.041 7 0 "[ . 1]"
1 23 U 0.108 0.062 10 0 "[ . 1]"
1 24 G 1.253 0.194 8 0 "[ . 1]"
1 25 G 1.874 0.194 8 0 "[ . 1]"
1 26 G 0.123 0.040 7 0 "[ . 1]"
1 28 U 0.686 0.116 6 0 "[ . 1]"
1 29 G 1.218 0.116 6 0 "[ . 1]"
1 30 C 0.000 0.000 . 0 "[ . 1]"
1 31 G 0.119 0.028 9 0 "[ . 1]"
1 32 C 0.147 0.028 9 0 "[ . 1]"
1 33 A 0.191 0.027 6 0 "[ . 1]"
1 34 G 0.138 0.027 6 0 "[ . 1]"
1 35 C 0.084 0.037 9 0 "[ . 1]"
2 1 GLY 0.118 0.073 3 0 "[ . 1]"
2 2 PRO 0.118 0.073 3 0 "[ . 1]"
2 3 ARG 0.076 0.037 9 0 "[ . 1]"
2 4 ARG 0.210 0.099 9 0 "[ . 1]"
2 5 GLY 0.099 0.099 9 0 "[ . 1]"
2 6 ASP 0.091 0.091 6 0 "[ . 1]"
2 7 GLY 0.000 0.000 . 0 "[ . 1]"
2 8 ARG 2.802 0.291 1 0 "[ . 1]"
2 9 ARG 1.907 0.291 1 0 "[ . 1]"
2 10 ARG 0.797 0.233 8 0 "[ . 1]"
2 11 GLY 0.072 0.031 3 0 "[ . 1]"
2 12 GLY 0.576 0.158 10 0 "[ . 1]"
2 13 GLY 0.027 0.014 8 0 "[ . 1]"
2 14 GLY 0.000 0.000 . 0 "[ . 1]"
2 15 ARG 0.824 0.228 4 0 "[ . 1]"
2 16 GLY 0.451 0.233 8 0 "[ . 1]"
2 17 GLN 0.099 0.049 6 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 H1 1 2 C H1' 4.000 . 6.000 5.004 4.682 5.548 . 0 0 "[ . 1]" 1
2 1 1 G H1 1 35 C H41 4.000 . 6.000 2.929 2.837 2.981 . 0 0 "[ . 1]" 1
3 1 1 G H1 1 35 C H42 4.000 . 6.000 4.424 4.345 4.467 . 0 0 "[ . 1]" 1
4 1 1 G H1 1 35 C H5 4.000 . 6.000 5.338 5.305 5.356 . 0 0 "[ . 1]" 1
5 1 1 G H1 2 3 ARG QD 4.000 . 6.000 5.081 3.655 5.355 . 0 0 "[ . 1]" 1
6 1 1 G H1' 1 2 C H6 4.000 . 6.000 4.832 4.722 5.014 . 0 0 "[ . 1]" 1
7 1 1 G H2' 1 2 C H5 4.000 . 6.000 3.402 2.775 3.800 . 0 0 "[ . 1]" 1
8 1 1 G H2' 1 2 C H6 4.000 . 6.000 2.098 2.004 2.261 . 0 0 "[ . 1]" 1
9 1 1 G H3' 2 8 ARG H 4.000 . 6.000 5.154 4.493 5.591 . 0 0 "[ . 1]" 1
10 1 1 G H5' 2 4 ARG QD 4.000 . 6.000 3.923 2.388 5.209 . 0 0 "[ . 1]" 1
11 1 1 G H8 2 4 ARG HA 4.000 . 6.000 5.481 4.851 6.012 0.012 9 0 "[ . 1]" 1
12 1 1 G H8 2 4 ARG QB 4.000 . 6.000 2.903 2.115 4.018 . 0 0 "[ . 1]" 1
13 1 1 G H8 2 4 ARG QD 4.000 . 6.000 2.789 2.042 4.252 . 0 0 "[ . 1]" 1
14 1 1 G H8 2 4 ARG QG 4.000 . 6.000 3.707 2.793 4.565 . 0 0 "[ . 1]" 1
15 1 1 G H8 2 7 GLY QA 4.000 . 6.000 5.225 4.925 5.387 . 0 0 "[ . 1]" 1
16 1 2 C H2' 1 3 U H6 4.000 . 6.000 2.279 2.059 2.526 . 0 0 "[ . 1]" 1
17 1 2 C H3' 1 3 U H6 4.000 . 6.000 3.432 3.222 3.626 . 0 0 "[ . 1]" 1
18 1 2 C H41 1 3 U H3 4.000 . 6.000 4.259 4.057 4.604 . 0 0 "[ . 1]" 1
19 1 2 C H41 1 34 G H1 4.000 . 6.000 2.943 2.883 3.025 . 0 0 "[ . 1]" 1
20 1 2 C H41 2 2 PRO QB 4.000 . 6.000 4.550 3.655 5.370 . 0 0 "[ . 1]" 1
21 1 2 C H42 1 3 U H3 4.000 . 6.000 5.549 5.317 5.960 . 0 0 "[ . 1]" 1
22 1 2 C H42 1 34 G H1 4.000 . 6.000 4.432 4.375 4.495 . 0 0 "[ . 1]" 1
23 1 2 C H42 2 2 PRO QB 4.000 . 6.000 3.658 2.264 4.576 . 0 0 "[ . 1]" 1
24 1 2 C H42 2 8 ARG H 4.000 . 6.000 3.502 2.851 4.091 . 0 0 "[ . 1]" 1
25 1 2 C H5 1 34 G H1 4.000 . 6.000 5.328 5.291 5.347 . 0 0 "[ . 1]" 1
26 1 2 C H5 2 8 ARG H 4.000 . 6.000 3.610 3.026 3.927 . 0 0 "[ . 1]" 1
27 1 2 C H5 2 8 ARG QB 4.000 . 6.000 2.253 1.828 3.474 0.172 4 0 "[ . 1]" 1
28 1 2 C H5 2 8 ARG QD 4.000 . 6.000 2.876 2.393 4.321 . 0 0 "[ . 1]" 1
29 1 2 C H5 2 8 ARG QG 4.000 . 6.000 3.001 1.996 4.288 0.004 9 0 "[ . 1]" 1
30 1 2 C H6 2 8 ARG H 4.000 . 6.000 5.721 5.014 6.036 0.036 4 0 "[ . 1]" 1
31 1 2 C H6 2 8 ARG QB 4.000 . 6.000 3.484 2.934 4.003 . 0 0 "[ . 1]" 1
32 1 2 C H6 2 8 ARG QD 4.000 . 6.000 2.627 2.056 3.899 . 0 0 "[ . 1]" 1
33 1 2 C H6 2 8 ARG QG 4.000 . 6.000 3.306 2.846 4.393 . 0 0 "[ . 1]" 1
34 1 3 U H1' 1 4 G H8 4.000 . 6.000 4.690 4.630 4.789 . 0 0 "[ . 1]" 1
35 1 3 U H1' 1 33 A H2 4.000 . 6.000 5.424 5.236 5.583 . 0 0 "[ . 1]" 1
36 1 3 U H1' 1 34 G H1 4.000 . 6.000 4.417 4.101 4.768 . 0 0 "[ . 1]" 1
37 1 3 U H2' 1 4 G H8 4.000 . 6.000 2.026 1.967 2.219 0.033 10 0 "[ . 1]" 1
38 1 3 U H3 1 4 G H1' 4.000 . 6.000 5.455 4.882 5.920 . 0 0 "[ . 1]" 1
39 1 3 U H3 1 4 G H8 4.000 . 6.000 4.694 4.213 5.322 . 0 0 "[ . 1]" 1
40 1 3 U H3 1 32 C H41 4.000 . 6.000 5.072 4.745 5.469 . 0 0 "[ . 1]" 1
41 1 3 U H3 1 33 A H2 3.000 . 3.500 2.772 2.667 2.826 . 0 0 "[ . 1]" 1
42 1 3 U H3 1 34 G H1 4.000 . 6.000 3.596 3.448 3.763 . 0 0 "[ . 1]" 1
43 1 3 U H3 2 10 ARG QB 4.000 . 6.000 4.878 3.873 5.385 . 0 0 "[ . 1]" 1
44 1 3 U H3 2 11 GLY H 4.000 . 6.000 4.642 4.046 5.821 . 0 0 "[ . 1]" 1
45 1 3 U H3' 1 4 G H8 4.000 . 6.000 3.566 3.291 3.757 . 0 0 "[ . 1]" 1
46 1 3 U H5 2 8 ARG QB 4.000 . 6.000 3.280 2.027 4.215 . 0 0 "[ . 1]" 1
47 1 3 U H5 2 8 ARG QD 4.000 . 6.000 2.173 1.804 3.012 0.196 3 0 "[ . 1]" 1
48 1 3 U H5 2 8 ARG QG 4.000 . 6.000 3.753 2.445 4.348 . 0 0 "[ . 1]" 1
49 1 3 U H6 2 8 ARG QB 4.000 . 6.000 5.073 3.925 5.391 . 0 0 "[ . 1]" 1
50 1 3 U H6 2 8 ARG QD 4.000 . 6.000 3.176 2.561 3.737 . 0 0 "[ . 1]" 1
51 1 3 U H6 2 8 ARG QG 4.000 . 6.000 5.065 4.271 5.426 . 0 0 "[ . 1]" 1
52 1 4 G H1 1 5 C H41 4.000 . 6.000 4.227 3.952 4.749 . 0 0 "[ . 1]" 1
53 1 4 G H1 1 5 C H6 4.000 . 6.000 5.961 5.673 6.047 0.047 5 0 "[ . 1]" 1
54 1 4 G H1 1 31 G H1 4.000 . 6.000 3.699 3.606 3.962 . 0 0 "[ . 1]" 1
55 1 4 G H1 1 32 C H1' 4.000 . 6.000 5.170 5.094 5.236 . 0 0 "[ . 1]" 1
56 1 4 G H1 1 32 C H2' 4.000 . 6.000 5.142 5.048 5.337 . 0 0 "[ . 1]" 1
57 1 4 G H1 1 32 C H41 4.000 . 6.000 2.879 2.777 2.955 . 0 0 "[ . 1]" 1
58 1 4 G H1 1 32 C H42 4.000 . 6.000 4.384 4.300 4.448 . 0 0 "[ . 1]" 1
59 1 4 G H1 1 32 C H5 4.000 . 6.000 5.326 5.293 5.355 . 0 0 "[ . 1]" 1
60 1 4 G H1 1 33 A H2 4.000 . 6.000 4.409 4.089 4.762 . 0 0 "[ . 1]" 1
61 1 4 G H1 2 10 ARG QB 4.000 . 6.000 4.527 4.164 5.028 . 0 0 "[ . 1]" 1
62 1 4 G H1' 1 5 C H6 4.000 . 6.000 5.034 4.858 5.347 . 0 0 "[ . 1]" 1
63 1 4 G H1' 1 33 A H2 4.000 . 6.000 3.817 3.400 4.222 . 0 0 "[ . 1]" 1
64 1 4 G H2' 1 5 C H6 4.000 . 6.000 2.349 2.075 2.731 . 0 0 "[ . 1]" 1
65 1 4 G H8 1 33 A H2 4.000 . 6.000 5.133 4.945 5.631 . 0 0 "[ . 1]" 1
66 1 4 G H8 2 12 GLY H 4.000 . 6.000 2.717 2.038 3.525 . 0 0 "[ . 1]" 1
67 1 4 G H8 2 12 GLY QA 4.000 . 6.000 3.900 3.056 5.153 . 0 0 "[ . 1]" 1
68 1 5 C H2' 1 7 G H1' 4.000 . 6.000 3.873 3.270 4.710 . 0 0 "[ . 1]" 1
69 1 5 C H2' 1 7 G H8 4.000 . 6.000 2.119 1.976 2.455 0.024 2 0 "[ . 1]" 1
70 1 5 C H41 1 7 G H1 4.000 . 6.000 4.747 4.621 4.829 . 0 0 "[ . 1]" 1
71 1 5 C H41 1 31 G H1 4.000 . 6.000 2.415 1.981 2.673 0.019 10 0 "[ . 1]" 1
72 1 5 C H41 2 10 ARG QB 4.000 . 6.000 2.875 2.626 3.287 . 0 0 "[ . 1]" 1
73 1 5 C H41 2 10 ARG QD 4.000 . 6.000 2.441 2.080 2.986 . 0 0 "[ . 1]" 1
74 1 5 C H41 2 10 ARG QG 4.000 . 6.000 3.509 2.879 4.407 . 0 0 "[ . 1]" 1
75 1 5 C H41 2 11 GLY H 4.000 . 6.000 5.839 5.239 6.031 0.031 3 0 "[ . 1]" 1
76 1 5 C H41 2 15 ARG QB 4.000 . 6.000 4.125 3.941 4.261 . 0 0 "[ . 1]" 1
77 1 5 C H41 2 15 ARG QD 4.000 . 6.000 2.675 2.491 3.443 . 0 0 "[ . 1]" 1
78 1 5 C H41 2 15 ARG QG 4.000 . 6.000 4.656 4.123 4.773 . 0 0 "[ . 1]" 1
79 1 5 C H42 1 7 G H1 4.000 . 6.000 6.107 6.071 6.139 0.139 7 0 "[ . 1]" 1
80 1 5 C H42 1 31 G H1 4.000 . 6.000 3.970 3.587 4.195 . 0 0 "[ . 1]" 1
81 1 5 C H42 2 10 ARG QB 4.000 . 6.000 2.175 1.800 2.703 0.200 7 0 "[ . 1]" 1
82 1 5 C H42 2 10 ARG QD 4.000 . 6.000 2.744 2.323 3.049 . 0 0 "[ . 1]" 1
83 1 5 C H42 2 11 GLY H 4.000 . 6.000 4.660 3.974 4.923 . 0 0 "[ . 1]" 1
84 1 5 C H42 2 15 ARG QB 4.000 . 6.000 4.016 3.819 4.327 . 0 0 "[ . 1]" 1
85 1 5 C H42 2 15 ARG QD 4.000 . 6.000 2.125 1.772 3.723 0.228 4 0 "[ . 1]" 1
86 1 5 C H5 1 31 G H1 4.000 . 6.000 5.092 4.866 5.218 . 0 0 "[ . 1]" 1
87 1 5 C H5 2 11 GLY H 4.000 . 6.000 4.871 3.406 5.311 . 0 0 "[ . 1]" 1
88 1 5 C H5 2 12 GLY H 4.000 . 6.000 4.042 2.803 4.693 . 0 0 "[ . 1]" 1
89 1 5 C H5 2 12 GLY QA 3.000 . 3.500 2.045 1.842 2.422 0.158 10 0 "[ . 1]" 1
90 1 5 C H6 2 12 GLY H 4.000 . 6.000 4.852 2.809 5.708 . 0 0 "[ . 1]" 1
91 1 5 C H6 2 12 GLY QA 4.000 . 6.000 2.930 2.260 3.439 . 0 0 "[ . 1]" 1
92 1 6 G H1 1 8 U H3 4.000 . 6.000 3.971 3.833 4.148 . 0 0 "[ . 1]" 1
93 1 6 G H1 1 9 G H8 4.000 . 6.000 5.497 5.304 5.682 . 0 0 "[ . 1]" 1
94 1 6 G H1 1 29 G H1 4.000 . 6.000 5.362 4.871 5.690 . 0 0 "[ . 1]" 1
95 1 6 G H1' 1 7 G H5'' 4.000 . 6.000 2.953 2.500 3.387 . 0 0 "[ . 1]" 1
96 1 6 G H1' 1 7 G H8 4.000 . 6.000 5.206 4.233 5.714 . 0 0 "[ . 1]" 1
97 1 6 G H2' 1 7 G H8 4.000 . 6.000 5.691 5.473 6.151 0.151 7 0 "[ . 1]" 1
98 1 6 G H2' 1 16 G H8 4.000 . 6.000 3.810 2.981 4.509 . 0 0 "[ . 1]" 1
99 1 6 G H21 1 12 G H1 4.000 . 6.000 4.417 4.314 4.550 . 0 0 "[ . 1]" 1
100 1 6 G H22 1 12 G H1 4.000 . 6.000 5.053 4.835 5.217 . 0 0 "[ . 1]" 1
101 1 6 G H3' 1 7 G H8 4.000 . 6.000 5.249 4.788 6.026 0.026 1 0 "[ . 1]" 1
102 1 6 G H4' 1 7 G H5'' 4.000 . 6.000 2.442 2.295 2.820 . 0 0 "[ . 1]" 1
103 1 6 G H4' 1 7 G H8 4.000 . 6.000 2.911 2.602 3.460 . 0 0 "[ . 1]" 1
104 1 6 G H5' 1 17 A H8 4.000 . 6.000 4.126 3.480 5.478 . 0 0 "[ . 1]" 1
105 1 6 G H5'' 1 7 G H5'' 4.000 . 6.000 4.733 4.434 5.437 . 0 0 "[ . 1]" 1
106 1 6 G H5'' 1 7 G H8 4.000 . 6.000 2.798 2.010 4.607 . 0 0 "[ . 1]" 1
107 1 6 G H5'' 1 17 A H8 4.000 . 6.000 4.618 3.711 5.286 . 0 0 "[ . 1]" 1
108 1 6 G H8 1 16 G H1' 4.000 . 6.000 5.230 4.857 5.525 . 0 0 "[ . 1]" 1
109 1 6 G H8 1 16 G H2' 4.000 . 6.000 2.757 2.371 3.174 . 0 0 "[ . 1]" 1
110 1 6 G H8 1 16 G H3' 4.000 . 6.000 4.705 4.207 5.297 . 0 0 "[ . 1]" 1
111 1 6 G H8 1 16 G H8 4.000 . 6.000 3.273 2.881 3.614 . 0 0 "[ . 1]" 1
112 1 6 G H8 1 17 A H8 4.000 . 6.000 3.649 3.427 3.832 . 0 0 "[ . 1]" 1
113 1 6 G H8 1 18 G H1 4.000 . 6.000 4.759 4.648 4.953 . 0 0 "[ . 1]" 1
114 1 7 G H1 1 8 U H1' 4.000 . 6.000 4.716 4.455 4.904 . 0 0 "[ . 1]" 1
115 1 7 G H1 1 8 U H3 4.000 . 6.000 3.422 3.372 3.555 . 0 0 "[ . 1]" 1
116 1 7 G H1 1 8 U H5 4.000 . 6.000 5.554 5.416 5.674 . 0 0 "[ . 1]" 1
117 1 7 G H1 1 8 U H6 4.000 . 6.000 5.788 5.663 5.979 . 0 0 "[ . 1]" 1
118 1 7 G H1 1 29 G H1 4.000 . 6.000 4.415 4.038 4.720 . 0 0 "[ . 1]" 1
119 1 7 G H1 1 30 C H41 4.000 . 6.000 2.710 2.576 2.885 . 0 0 "[ . 1]" 1
120 1 7 G H1 1 30 C H42 4.000 . 6.000 4.249 4.132 4.403 . 0 0 "[ . 1]" 1
121 1 7 G H1 1 31 G H1' 4.000 . 6.000 4.766 4.515 5.023 . 0 0 "[ . 1]" 1
122 1 7 G H1 2 10 ARG QD 4.000 . 6.000 5.339 5.147 5.427 . 0 0 "[ . 1]" 1
123 1 7 G H1 2 15 ARG QB 4.000 . 6.000 4.638 4.221 5.150 . 0 0 "[ . 1]" 1
124 1 7 G H1 2 15 ARG QD 4.000 . 6.000 4.377 3.975 4.794 . 0 0 "[ . 1]" 1
125 1 7 G H1' 1 8 U H6 4.000 . 6.000 4.862 4.765 4.989 . 0 0 "[ . 1]" 1
126 1 7 G H1' 1 31 G H1 4.000 . 6.000 5.765 5.470 6.013 0.013 10 0 "[ . 1]" 1
127 1 7 G H2' 1 8 U H1' 4.000 . 6.000 4.385 4.238 4.547 . 0 0 "[ . 1]" 1
128 1 7 G H2' 1 8 U H5 4.000 . 6.000 2.793 2.686 2.923 . 0 0 "[ . 1]" 1
129 1 7 G H2' 1 8 U H5' 4.000 . 6.000 3.700 3.450 4.031 . 0 0 "[ . 1]" 1
130 1 7 G H2' 1 8 U H5'' 4.000 . 6.000 4.965 4.807 5.133 . 0 0 "[ . 1]" 1
131 1 7 G H2' 1 8 U H6 4.000 . 6.000 2.052 1.991 2.211 0.009 5 0 "[ . 1]" 1
132 1 7 G H3' 1 8 U H6 4.000 . 6.000 2.409 2.307 2.542 . 0 0 "[ . 1]" 1
133 1 7 G H5'' 1 8 U H6 4.000 . 6.000 4.780 4.646 4.894 . 0 0 "[ . 1]" 1
134 1 8 U H1' 1 9 G H8 4.000 . 6.000 4.690 4.533 4.857 . 0 0 "[ . 1]" 1
135 1 8 U H1' 1 12 G H2' 4.000 . 6.000 6.144 6.086 6.190 0.190 7 0 "[ . 1]" 1
136 1 8 U H2' 1 9 G H1' 4.000 . 6.000 4.472 4.260 4.694 . 0 0 "[ . 1]" 1
137 1 8 U H2' 1 9 G H5' 4.000 . 6.000 4.992 4.694 5.189 . 0 0 "[ . 1]" 1
138 1 8 U H2' 1 9 G H5'' 4.000 . 6.000 4.175 3.995 4.352 . 0 0 "[ . 1]" 1
139 1 8 U H2' 1 9 G H8 4.000 . 6.000 2.127 2.024 2.293 . 0 0 "[ . 1]" 1
140 1 8 U H2' 1 29 G H1 4.000 . 6.000 4.396 4.230 4.720 . 0 0 "[ . 1]" 1
141 1 8 U H3 1 9 G H1 4.000 . 6.000 5.640 5.418 5.789 . 0 0 "[ . 1]" 1
142 1 8 U H3 1 29 G H1 3.000 . 3.500 2.602 1.960 2.975 0.040 6 0 "[ . 1]" 1
143 1 8 U H3 1 29 G H21 4.000 . 6.000 4.675 3.925 5.107 . 0 0 "[ . 1]" 1
144 1 8 U H3 1 30 C H41 4.000 . 6.000 4.371 4.245 4.645 . 0 0 "[ . 1]" 1
145 1 8 U H3 1 30 C H42 4.000 . 6.000 5.405 5.203 5.785 . 0 0 "[ . 1]" 1
146 1 9 G H1 1 25 G H1 4.000 . 6.000 3.451 3.351 3.606 . 0 0 "[ . 1]" 1
147 1 9 G H1 1 25 G H2' 4.000 . 6.000 5.267 4.789 6.033 0.033 7 0 "[ . 1]" 1
148 1 9 G H1 1 25 G H21 4.000 . 6.000 4.658 4.472 4.843 . 0 0 "[ . 1]" 1
149 1 9 G H1 1 26 G H8 4.000 . 6.000 4.743 4.439 4.951 . 0 0 "[ . 1]" 1
150 1 9 G H1 1 29 G H1 4.000 . 6.000 4.961 4.825 5.102 . 0 0 "[ . 1]" 1
151 1 9 G H1 1 29 G H21 4.000 . 6.000 5.914 5.608 6.046 0.046 1 0 "[ . 1]" 1
152 1 9 G H1' 1 12 G H8 4.000 . 6.000 5.720 5.471 6.026 0.026 5 0 "[ . 1]" 1
153 1 9 G H2' 1 12 G H8 4.000 . 6.000 3.455 3.082 3.992 . 0 0 "[ . 1]" 1
154 1 9 G H21 1 29 G H1 4.000 . 6.000 5.779 5.557 6.023 0.023 2 0 "[ . 1]" 1
155 1 9 G H3' 1 12 G H8 4.000 . 6.000 5.282 4.926 5.751 . 0 0 "[ . 1]" 1
156 1 9 G H8 1 12 G H1' 4.000 . 6.000 5.565 5.361 5.812 . 0 0 "[ . 1]" 1
157 1 9 G H8 1 12 G H2' 4.000 . 6.000 2.884 2.668 3.153 . 0 0 "[ . 1]" 1
158 1 9 G H8 1 12 G H3' 4.000 . 6.000 4.763 4.570 5.077 . 0 0 "[ . 1]" 1
159 1 9 G H8 1 12 G H8 4.000 . 6.000 3.405 3.269 3.492 . 0 0 "[ . 1]" 1
160 1 9 G H8 1 25 G H1 4.000 . 6.000 5.973 5.837 6.062 0.062 6 0 "[ . 1]" 1
161 1 11 G H1 1 15 G H8 4.000 . 6.000 4.802 4.576 5.095 . 0 0 "[ . 1]" 1
162 1 11 G H1' 1 12 G H8 4.000 . 6.000 5.185 4.919 5.587 . 0 0 "[ . 1]" 1
163 1 11 G H2' 1 12 G H5'' 4.000 . 6.000 4.170 3.529 4.686 . 0 0 "[ . 1]" 1
164 1 11 G H2' 1 12 G H8 4.000 . 6.000 2.456 2.187 2.779 . 0 0 "[ . 1]" 1
165 1 11 G H3' 1 12 G H8 4.000 . 6.000 3.159 2.709 3.730 . 0 0 "[ . 1]" 1
166 1 11 G H8 1 25 G H1 4.000 . 6.000 4.951 4.758 5.321 . 0 0 "[ . 1]" 1
167 1 12 G H1 1 15 G H1 4.000 . 6.000 5.036 4.673 5.239 . 0 0 "[ . 1]" 1
168 1 12 G H1 1 15 G H8 4.000 . 6.000 5.470 5.266 5.856 . 0 0 "[ . 1]" 1
169 1 12 G H1 1 16 G H8 4.000 . 6.000 5.135 4.729 5.447 . 0 0 "[ . 1]" 1
170 1 12 G H1 1 18 G H1 4.000 . 6.000 4.676 4.602 4.814 . 0 0 "[ . 1]" 1
171 1 12 G H4' 1 13 A H8 4.000 . 6.000 4.331 2.923 5.397 . 0 0 "[ . 1]" 1
172 1 13 A H3' 1 14 A H8 4.000 . 6.000 5.066 3.579 6.051 0.051 8 0 "[ . 1]" 1
173 1 14 A H1' 1 15 G H1' 4.000 . 6.000 5.182 4.655 5.645 . 0 0 "[ . 1]" 1
174 1 14 A H1' 1 15 G H8 4.000 . 6.000 4.384 4.178 4.664 . 0 0 "[ . 1]" 1
175 1 14 A H2 1 15 G H1 4.000 . 6.000 5.886 5.333 6.057 0.057 5 0 "[ . 1]" 1
176 1 14 A H2 1 15 G H1' 4.000 . 6.000 3.106 2.298 4.086 . 0 0 "[ . 1]" 1
177 1 14 A H2 1 15 G H2' 4.000 . 6.000 5.572 4.978 6.012 0.012 1 0 "[ . 1]" 1
178 1 14 A H2' 1 15 G H1' 4.000 . 6.000 3.888 3.439 4.718 . 0 0 "[ . 1]" 1
179 1 14 A H2' 1 15 G H8 4.000 . 6.000 2.078 1.944 2.666 0.056 6 0 "[ . 1]" 1
180 1 14 A H3' 1 15 G H8 4.000 . 6.000 3.240 2.230 4.622 . 0 0 "[ . 1]" 1
181 1 14 A H8 1 15 G H8 4.000 . 6.000 4.888 4.267 6.040 0.040 9 0 "[ . 1]" 1
182 1 15 G H1 1 16 G H1 4.000 . 6.000 3.527 3.346 3.651 . 0 0 "[ . 1]" 1
183 1 15 G H1 1 20 G H1 4.000 . 6.000 4.464 4.307 4.529 . 0 0 "[ . 1]" 1
184 1 15 G H1 1 20 G H8 4.000 . 6.000 4.803 4.607 5.199 . 0 0 "[ . 1]" 1
185 1 15 G H1' 1 16 G H8 4.000 . 6.000 4.851 4.329 5.058 . 0 0 "[ . 1]" 1
186 1 15 G H2' 1 16 G H8 4.000 . 6.000 1.994 1.904 2.186 0.096 2 0 "[ . 1]" 1
187 1 15 G H3' 1 16 G H8 4.000 . 6.000 3.414 3.186 3.907 . 0 0 "[ . 1]" 1
188 1 16 G H1 1 18 G H1 4.000 . 6.000 3.523 3.404 3.656 . 0 0 "[ . 1]" 1
189 1 16 G H1 1 18 G H1' 4.000 . 6.000 5.866 5.768 6.004 0.004 2 0 "[ . 1]" 1
190 1 16 G H1 1 18 G H8 4.000 . 6.000 5.977 5.810 6.053 0.053 3 0 "[ . 1]" 1
191 1 16 G H1 1 20 G H1 4.000 . 6.000 4.451 4.169 4.851 . 0 0 "[ . 1]" 1
192 1 16 G H1 1 20 G H8 4.000 . 6.000 5.852 5.467 6.007 0.007 2 0 "[ . 1]" 1
193 1 16 G H1 1 21 G H8 4.000 . 6.000 4.355 4.078 4.497 . 0 0 "[ . 1]" 1
194 1 16 G H2' 1 17 A H8 4.000 . 6.000 3.687 2.961 4.440 . 0 0 "[ . 1]" 1
195 1 16 G H8 1 18 G H1 4.000 . 6.000 5.877 5.665 6.051 0.051 1 0 "[ . 1]" 1
196 1 17 A H1' 2 13 GLY H 4.000 . 6.000 5.939 5.837 6.014 0.014 8 0 "[ . 1]" 1
197 1 17 A H1' 2 13 GLY QA 3.000 . 3.500 3.280 3.179 3.371 . 0 0 "[ . 1]" 1
198 1 17 A H1' 2 14 GLY H 4.000 . 6.000 3.220 2.314 3.814 . 0 0 "[ . 1]" 1
199 1 17 A H1' 2 14 GLY QA 4.000 . 6.000 4.439 3.323 5.058 . 0 0 "[ . 1]" 1
200 1 17 A H2 1 18 G H1 4.000 . 6.000 3.295 2.999 3.409 . 0 0 "[ . 1]" 1
201 1 17 A H2 1 26 G H1 4.000 . 6.000 5.029 4.879 5.215 . 0 0 "[ . 1]" 1
202 1 17 A H2 1 28 U H3 4.000 . 6.000 4.410 1.962 6.040 0.040 10 0 "[ . 1]" 1
203 1 17 A H2 2 15 ARG HA 4.000 . 6.000 4.005 3.512 4.691 . 0 0 "[ . 1]" 1
204 1 17 A H2 2 15 ARG QB 4.000 . 6.000 2.518 2.266 3.099 . 0 0 "[ . 1]" 1
205 1 17 A H2 2 15 ARG QD 4.000 . 6.000 4.371 2.727 4.711 . 0 0 "[ . 1]" 1
206 1 17 A H2 2 15 ARG QG 4.000 . 6.000 2.444 2.149 2.613 . 0 0 "[ . 1]" 1
207 1 17 A H4' 1 18 G H1' 4.000 . 6.000 4.249 2.803 5.122 . 0 0 "[ . 1]" 1
208 1 17 A H4' 1 18 G H5' 4.000 . 6.000 5.671 5.170 5.868 . 0 0 "[ . 1]" 1
209 1 17 A H4' 1 18 G H5'' 4.000 . 6.000 5.771 4.210 6.085 0.085 10 0 "[ . 1]" 1
210 1 17 A H8 1 18 G H1 4.000 . 6.000 6.176 6.145 6.219 0.219 7 0 "[ . 1]" 1
211 1 17 A H8 2 13 GLY QA 4.000 . 6.000 4.850 4.395 5.214 . 0 0 "[ . 1]" 1
212 1 18 G H1 1 26 G H1 4.000 . 6.000 4.536 4.509 4.567 . 0 0 "[ . 1]" 1
213 1 18 G H1 2 15 ARG QB 4.000 . 6.000 5.417 5.132 5.649 . 0 0 "[ . 1]" 1
214 1 18 G H8 1 21 G H1' 4.000 . 6.000 5.118 4.762 5.467 . 0 0 "[ . 1]" 1
215 1 18 G H8 1 21 G H2' 4.000 . 6.000 2.816 2.307 3.352 . 0 0 "[ . 1]" 1
216 1 18 G H8 1 21 G H3' 4.000 . 6.000 4.431 3.793 4.936 . 0 0 "[ . 1]" 1
217 1 18 G H8 1 21 G H8 4.000 . 6.000 3.429 3.288 3.636 . 0 0 "[ . 1]" 1
218 1 18 G H8 1 26 G H1 4.000 . 6.000 5.260 4.981 5.373 . 0 0 "[ . 1]" 1
219 1 18 G H8 1 28 U H3 4.000 . 6.000 4.043 3.012 5.597 . 0 0 "[ . 1]" 1
220 1 18 G H8 1 28 U H5 4.000 . 6.000 4.419 3.297 5.182 . 0 0 "[ . 1]" 1
221 1 19 U H3' 1 20 G H8 4.000 . 6.000 5.956 5.669 6.120 0.120 9 0 "[ . 1]" 1
222 1 20 G H1' 1 21 G H8 4.000 . 6.000 4.613 3.691 4.788 . 0 0 "[ . 1]" 1
223 1 21 G H1 1 24 G H8 4.000 . 6.000 5.748 5.425 6.041 0.041 7 0 "[ . 1]" 1
224 1 21 G H1 1 25 G H8 4.000 . 6.000 4.948 4.624 5.180 . 0 0 "[ . 1]" 1
225 1 21 G H1 1 26 G H1 4.000 . 6.000 3.246 3.076 3.502 . 0 0 "[ . 1]" 1
226 1 23 U H1' 1 24 G H8 4.000 . 6.000 4.619 2.226 6.062 0.062 10 0 "[ . 1]" 1
227 1 24 G H1 1 25 G H1 4.000 . 6.000 3.940 3.803 4.074 . 0 0 "[ . 1]" 1
228 1 24 G H1 1 25 G H21 4.000 . 6.000 5.279 5.113 5.452 . 0 0 "[ . 1]" 1
229 1 24 G H1 1 25 G H22 4.000 . 6.000 5.869 5.749 6.021 0.021 10 0 "[ . 1]" 1
230 1 24 G H1' 1 25 G H1' 4.000 . 6.000 6.042 5.405 6.194 0.194 8 0 "[ . 1]" 1
231 1 24 G H1' 1 25 G H8 4.000 . 6.000 4.365 3.619 4.761 . 0 0 "[ . 1]" 1
232 1 24 G H2' 1 25 G H8 4.000 . 6.000 3.082 1.985 5.088 0.015 3 0 "[ . 1]" 1
233 1 24 G H8 1 25 G H8 4.000 . 6.000 5.763 5.667 5.965 . 0 0 "[ . 1]" 1
234 1 25 G H1' 1 26 G H8 4.000 . 6.000 5.542 5.308 5.775 . 0 0 "[ . 1]" 1
235 1 25 G H2' 1 26 G H2' 4.000 . 6.000 5.436 4.777 5.857 . 0 0 "[ . 1]" 1
236 1 25 G H2' 1 26 G H8 4.000 . 6.000 3.343 3.031 3.496 . 0 0 "[ . 1]" 1
237 1 25 G H3' 1 26 G H3' 4.000 . 6.000 4.490 3.954 4.853 . 0 0 "[ . 1]" 1
238 1 25 G H3' 1 26 G H8 4.000 . 6.000 2.783 2.203 3.871 . 0 0 "[ . 1]" 1
239 1 25 G H8 1 26 G H1' 4.000 . 6.000 5.519 5.146 5.902 . 0 0 "[ . 1]" 1
240 1 25 G H8 1 26 G H2' 4.000 . 6.000 3.103 2.799 3.580 . 0 0 "[ . 1]" 1
241 1 25 G H8 1 26 G H3' 4.000 . 6.000 5.004 4.582 5.462 . 0 0 "[ . 1]" 1
242 1 25 G H8 1 26 G H8 4.000 . 6.000 3.646 3.389 3.910 . 0 0 "[ . 1]" 1
243 1 25 G H8 1 29 G H1' 4.000 . 6.000 6.053 6.014 6.090 0.090 6 0 "[ . 1]" 1
244 1 26 G H1' 1 28 U H4' 4.000 . 6.000 3.060 2.538 3.820 . 0 0 "[ . 1]" 1
245 1 26 G H1' 1 28 U H5' 4.000 . 6.000 4.340 2.538 5.799 . 0 0 "[ . 1]" 1
246 1 26 G H1' 1 28 U H5'' 4.000 . 6.000 3.838 2.579 5.260 . 0 0 "[ . 1]" 1
247 1 26 G H1' 1 29 G H8 4.000 . 6.000 4.814 4.488 5.111 . 0 0 "[ . 1]" 1
248 1 26 G H4' 1 29 G H1' 4.000 . 6.000 5.681 4.885 6.016 0.016 4 0 "[ . 1]" 1
249 1 26 G H5' 1 29 G H1' 4.000 . 6.000 5.384 3.967 6.040 0.040 7 0 "[ . 1]" 1
250 1 26 G H8 1 29 G H1' 4.000 . 6.000 2.613 2.363 3.018 . 0 0 "[ . 1]" 1
251 1 26 G H8 1 29 G H2' 4.000 . 6.000 5.294 4.870 5.749 . 0 0 "[ . 1]" 1
252 1 26 G H8 1 29 G H8 4.000 . 6.000 4.644 4.262 5.153 . 0 0 "[ . 1]" 1
253 1 28 U H1' 1 29 G H8 4.000 . 6.000 4.014 2.523 5.068 . 0 0 "[ . 1]" 1
254 1 28 U H1' 2 15 ARG HA 4.000 . 6.000 3.553 3.083 4.420 . 0 0 "[ . 1]" 1
255 1 28 U H1' 2 15 ARG QB 4.000 . 6.000 4.504 4.176 4.969 . 0 0 "[ . 1]" 1
256 1 28 U H1' 2 15 ARG QG 4.000 . 6.000 5.448 5.361 5.583 . 0 0 "[ . 1]" 1
257 1 28 U H1' 2 17 GLN QB 4.000 . 6.000 4.608 4.051 5.379 . 0 0 "[ . 1]" 1
258 1 28 U H1' 2 17 GLN QG 4.000 . 6.000 5.310 4.663 5.441 . 0 0 "[ . 1]" 1
259 1 28 U H2' 2 17 GLN QB 4.000 . 6.000 2.274 1.951 3.222 0.049 6 0 "[ . 1]" 1
260 1 28 U H3 2 14 GLY H 4.000 . 6.000 3.779 3.266 4.425 . 0 0 "[ . 1]" 1
261 1 28 U H3 2 14 GLY QA 3.000 . 3.500 2.732 2.327 3.100 . 0 0 "[ . 1]" 1
262 1 28 U H3 2 15 ARG H 4.000 . 6.000 4.135 2.502 5.316 . 0 0 "[ . 1]" 1
263 1 28 U H3' 1 29 G H8 4.000 . 6.000 4.620 4.396 5.177 . 0 0 "[ . 1]" 1
264 1 28 U H4' 1 29 G H8 4.000 . 6.000 3.542 3.171 4.283 . 0 0 "[ . 1]" 1
265 1 28 U H5 2 17 GLN QB 4.000 . 6.000 5.211 4.459 5.517 . 0 0 "[ . 1]" 1
266 1 28 U H5 2 17 GLN QG 4.000 . 6.000 4.720 3.631 5.390 . 0 0 "[ . 1]" 1
267 1 28 U H5' 1 29 G H8 4.000 . 6.000 5.820 4.792 6.088 0.088 7 0 "[ . 1]" 1
268 1 28 U H5'' 1 29 G H8 4.000 . 6.000 5.653 4.914 6.116 0.116 6 0 "[ . 1]" 1
269 1 28 U H6 2 17 GLN QB 4.000 . 6.000 3.912 3.100 4.319 . 0 0 "[ . 1]" 1
270 1 28 U H6 2 17 GLN QG 4.000 . 6.000 4.041 3.203 4.772 . 0 0 "[ . 1]" 1
271 1 29 G H1 1 30 C H1' 4.000 . 6.000 3.587 3.228 4.213 . 0 0 "[ . 1]" 1
272 1 29 G H1' 1 30 C H6 4.000 . 6.000 5.019 4.656 5.589 . 0 0 "[ . 1]" 1
273 1 29 G H2' 1 30 C H6 4.000 . 6.000 2.652 2.288 3.186 . 0 0 "[ . 1]" 1
274 1 29 G H3' 1 30 C H6 4.000 . 6.000 2.306 2.187 2.622 . 0 0 "[ . 1]" 1
275 1 29 G H5' 1 30 C H6 4.000 . 6.000 5.132 3.953 5.792 . 0 0 "[ . 1]" 1
276 1 29 G H5'' 1 30 C H6 4.000 . 6.000 4.824 4.582 5.144 . 0 0 "[ . 1]" 1
277 1 29 G H8 1 30 C H6 4.000 . 6.000 5.178 4.693 5.968 . 0 0 "[ . 1]" 1
278 1 30 C H1' 1 31 G H8 4.000 . 6.000 4.808 4.672 4.931 . 0 0 "[ . 1]" 1
279 1 30 C H2' 1 31 G H8 4.000 . 6.000 2.136 2.013 2.237 . 0 0 "[ . 1]" 1
280 1 30 C H3' 1 31 G H8 4.000 . 6.000 3.203 3.079 3.396 . 0 0 "[ . 1]" 1
281 1 30 C H41 2 10 ARG QD 4.000 . 6.000 3.752 3.448 3.996 . 0 0 "[ . 1]" 1
282 1 30 C H42 2 10 ARG QD 4.000 . 6.000 3.606 3.146 3.922 . 0 0 "[ . 1]" 1
283 1 30 C H6 1 31 G H8 4.000 . 6.000 5.038 4.590 5.282 . 0 0 "[ . 1]" 1
284 1 31 G H1 1 32 C H1' 4.000 . 6.000 5.242 4.831 5.569 . 0 0 "[ . 1]" 1
285 1 31 G H1 1 32 C H42 4.000 . 6.000 5.163 4.792 5.454 . 0 0 "[ . 1]" 1
286 1 31 G H1 2 10 ARG QB 4.000 . 6.000 4.811 4.326 5.374 . 0 0 "[ . 1]" 1
287 1 31 G H1 2 10 ARG QD 4.000 . 6.000 4.346 3.959 4.509 . 0 0 "[ . 1]" 1
288 1 31 G H1 2 15 ARG QB 4.000 . 6.000 5.509 5.447 5.579 . 0 0 "[ . 1]" 1
289 1 31 G H1 2 15 ARG QD 4.000 . 6.000 4.114 3.834 4.520 . 0 0 "[ . 1]" 1
290 1 31 G H1' 1 32 C H6 4.000 . 6.000 4.666 4.572 4.735 . 0 0 "[ . 1]" 1
291 1 31 G H2' 1 32 C H5 4.000 . 6.000 3.613 3.450 3.814 . 0 0 "[ . 1]" 1
292 1 31 G H2' 1 32 C H6 4.000 . 6.000 1.999 1.972 2.027 0.028 9 0 "[ . 1]" 1
293 1 31 G H3' 1 32 C H5 4.000 . 6.000 3.325 3.108 3.507 . 0 0 "[ . 1]" 1
294 1 31 G H8 1 32 C H5 4.000 . 6.000 4.104 3.794 4.561 . 0 0 "[ . 1]" 1
295 1 32 C H1' 1 33 A H1' 4.000 . 6.000 5.255 5.050 5.522 . 0 0 "[ . 1]" 1
296 1 32 C H1' 1 33 A H8 4.000 . 6.000 4.603 4.456 4.732 . 0 0 "[ . 1]" 1
297 1 32 C H2' 1 33 A H8 4.000 . 6.000 2.021 1.982 2.155 0.018 6 0 "[ . 1]" 1
298 1 32 C H41 2 10 ARG QB 4.000 . 6.000 3.488 3.277 3.848 . 0 0 "[ . 1]" 1
299 1 32 C H42 2 10 ARG QB 4.000 . 6.000 4.544 4.148 4.803 . 0 0 "[ . 1]" 1
300 1 32 C H42 2 10 ARG QG 4.000 . 6.000 2.944 2.655 3.768 . 0 0 "[ . 1]" 1
301 1 32 C H5 1 33 A H8 4.000 . 6.000 5.360 4.969 5.681 . 0 0 "[ . 1]" 1
302 1 33 A H1' 1 34 G H8 4.000 . 6.000 4.472 4.366 4.547 . 0 0 "[ . 1]" 1
303 1 33 A H2 1 34 G H1' 4.000 . 6.000 3.793 3.494 3.944 . 0 0 "[ . 1]" 1
304 1 33 A H2 1 34 G H8 4.000 . 6.000 4.642 4.520 4.865 . 0 0 "[ . 1]" 1
305 1 33 A H2' 1 34 G H1' 4.000 . 6.000 3.971 3.855 4.066 . 0 0 "[ . 1]" 1
306 1 33 A H2' 1 34 G H8 4.000 . 6.000 1.991 1.973 2.023 0.027 6 0 "[ . 1]" 1
307 1 33 A H3' 1 34 G H8 4.000 . 6.000 3.076 2.927 3.205 . 0 0 "[ . 1]" 1
308 1 34 G H1 1 35 C H41 4.000 . 6.000 4.164 3.817 4.741 . 0 0 "[ . 1]" 1
309 1 34 G H1 1 35 C H42 4.000 . 6.000 5.011 4.751 5.602 . 0 0 "[ . 1]" 1
310 1 34 G H1' 1 35 C H6 4.000 . 6.000 4.804 4.669 4.961 . 0 0 "[ . 1]" 1
311 1 34 G H2' 1 35 C H5 4.000 . 6.000 3.490 2.845 3.993 . 0 0 "[ . 1]" 1
312 1 34 G H2' 1 35 C H6 4.000 . 6.000 2.095 1.995 2.246 0.005 8 0 "[ . 1]" 1
313 1 34 G H3' 1 35 C H6 4.000 . 6.000 3.037 2.774 3.449 . 0 0 "[ . 1]" 1
314 1 35 C H41 2 3 ARG H 4.000 . 6.000 4.472 3.750 4.965 . 0 0 "[ . 1]" 1
315 1 35 C H41 2 3 ARG QG 4.000 . 6.000 4.256 3.374 5.357 . 0 0 "[ . 1]" 1
316 1 35 C H42 2 3 ARG H 4.000 . 6.000 5.392 4.021 6.037 0.037 9 0 "[ . 1]" 1
317 1 35 C H42 2 3 ARG QG 4.000 . 6.000 4.627 3.758 5.189 . 0 0 "[ . 1]" 1
318 2 1 GLY QA 2 2 PRO QD 4.000 . 6.000 2.034 1.927 2.290 0.073 3 0 "[ . 1]" 1
319 2 2 PRO HA 2 3 ARG H 4.000 . 6.000 2.261 2.163 2.496 . 0 0 "[ . 1]" 1
320 2 2 PRO HA 2 4 ARG H 4.000 . 6.000 3.766 3.429 4.237 . 0 0 "[ . 1]" 1
321 2 2 PRO QB 2 3 ARG H 4.000 . 6.000 3.157 2.410 3.617 . 0 0 "[ . 1]" 1
322 2 2 PRO QB 2 4 ARG H 4.000 . 6.000 3.205 2.499 3.978 . 0 0 "[ . 1]" 1
323 2 2 PRO QB 2 7 GLY H 4.000 . 6.000 3.222 2.719 4.392 . 0 0 "[ . 1]" 1
324 2 2 PRO QG 2 3 ARG H 4.000 . 6.000 4.631 4.063 4.827 . 0 0 "[ . 1]" 1
325 2 3 ARG H 2 4 ARG H 4.000 . 6.000 2.204 2.018 2.508 . 0 0 "[ . 1]" 1
326 2 3 ARG H 2 4 ARG QG 4.000 . 6.000 4.529 3.510 5.476 . 0 0 "[ . 1]" 1
327 2 3 ARG HA 2 4 ARG H 4.000 . 6.000 3.444 3.275 3.480 . 0 0 "[ . 1]" 1
328 2 3 ARG QB 2 4 ARG H 4.000 . 6.000 3.193 2.971 3.666 . 0 0 "[ . 1]" 1
329 2 3 ARG QG 2 4 ARG H 4.000 . 6.000 3.797 2.109 4.749 . 0 0 "[ . 1]" 1
330 2 4 ARG HA 2 5 GLY H 4.000 . 6.000 3.571 3.507 3.585 . 0 0 "[ . 1]" 1
331 2 4 ARG QB 2 6 ASP H 4.000 . 6.000 3.362 2.128 5.275 . 0 0 "[ . 1]" 1
332 2 4 ARG QB 2 7 GLY H 4.000 . 6.000 3.895 3.519 4.466 . 0 0 "[ . 1]" 1
333 2 4 ARG QG 2 5 GLY H 4.000 . 6.000 3.466 1.901 4.323 0.099 9 0 "[ . 1]" 1
334 2 4 ARG QG 2 6 ASP H 4.000 . 6.000 3.976 1.909 4.831 0.091 6 0 "[ . 1]" 1
335 2 5 GLY H 2 6 ASP H 4.000 . 6.000 2.806 2.302 3.931 . 0 0 "[ . 1]" 1
336 2 5 GLY QA 2 6 ASP H 4.000 . 6.000 2.625 2.151 2.937 . 0 0 "[ . 1]" 1
337 2 5 GLY QA 2 7 GLY H 4.000 . 6.000 3.982 3.506 4.368 . 0 0 "[ . 1]" 1
338 2 6 ASP HA 2 7 GLY H 4.000 . 6.000 3.543 3.500 3.575 . 0 0 "[ . 1]" 1
339 2 6 ASP QB 2 7 GLY H 4.000 . 6.000 2.611 2.274 3.323 . 0 0 "[ . 1]" 1
340 2 7 GLY H 2 8 ARG H 4.000 . 6.000 3.444 2.497 4.496 . 0 0 "[ . 1]" 1
341 2 7 GLY QA 2 8 ARG H 4.000 . 6.000 2.245 2.116 2.484 . 0 0 "[ . 1]" 1
342 2 8 ARG H 2 9 ARG H 4.000 . 6.000 4.646 4.623 4.689 . 0 0 "[ . 1]" 1
343 2 8 ARG HA 2 9 ARG H 4.000 . 6.000 2.397 2.277 2.459 . 0 0 "[ . 1]" 1
344 2 8 ARG HA 2 10 ARG H 4.000 . 6.000 5.873 5.817 5.945 . 0 0 "[ . 1]" 1
345 2 8 ARG QB 2 9 ARG H 4.000 . 6.000 3.139 2.357 3.452 . 0 0 "[ . 1]" 1
346 2 8 ARG QB 2 10 ARG H 4.000 . 6.000 5.303 5.177 5.474 . 0 0 "[ . 1]" 1
347 2 8 ARG QG 2 9 ARG H 4.000 . 6.000 2.141 1.709 3.677 0.291 1 0 "[ . 1]" 1
348 2 8 ARG QG 2 10 ARG H 4.000 . 6.000 5.222 4.511 5.565 . 0 0 "[ . 1]" 1
349 2 9 ARG H 2 10 ARG H 4.000 . 6.000 4.458 4.416 4.492 . 0 0 "[ . 1]" 1
350 2 9 ARG H 2 10 ARG QG 4.000 . 6.000 5.394 5.209 5.459 . 0 0 "[ . 1]" 1
351 2 9 ARG HA 2 10 ARG H 4.000 . 6.000 2.123 2.066 2.167 . 0 0 "[ . 1]" 1
352 2 9 ARG QB 2 10 ARG H 4.000 . 6.000 3.471 3.206 3.751 . 0 0 "[ . 1]" 1
353 2 9 ARG QD 2 10 ARG H 4.000 . 6.000 4.571 2.881 5.350 . 0 0 "[ . 1]" 1
354 2 9 ARG QG 2 10 ARG H 4.000 . 6.000 3.474 2.523 4.402 . 0 0 "[ . 1]" 1
355 2 10 ARG H 2 11 GLY H 4.000 . 6.000 4.612 4.569 4.644 . 0 0 "[ . 1]" 1
356 2 10 ARG H 2 16 GLY QA 4.000 . 6.000 2.227 1.845 3.075 0.155 10 0 "[ . 1]" 1
357 2 10 ARG HA 2 11 GLY H 4.000 . 6.000 2.222 2.142 2.287 . 0 0 "[ . 1]" 1
358 2 10 ARG QB 2 11 GLY H 4.000 . 6.000 2.812 2.637 3.039 . 0 0 "[ . 1]" 1
359 2 10 ARG QB 2 16 GLY QA 4.000 . 6.000 2.945 2.212 3.420 . 0 0 "[ . 1]" 1
360 2 10 ARG QD 2 13 GLY H 4.000 . 6.000 5.496 5.445 5.535 . 0 0 "[ . 1]" 1
361 2 10 ARG QD 2 15 ARG QD 4.000 . 6.000 3.091 2.651 3.834 . 0 0 "[ . 1]" 1
362 2 10 ARG QD 2 15 ARG QG 4.000 . 6.000 4.407 4.071 4.780 . 0 0 "[ . 1]" 1
363 2 10 ARG QG 2 11 GLY H 4.000 . 6.000 4.293 4.089 4.411 . 0 0 "[ . 1]" 1
364 2 10 ARG QG 2 16 GLY QA 4.000 . 6.000 2.964 1.767 3.348 0.233 8 0 "[ . 1]" 1
365 2 11 GLY H 2 12 GLY H 4.000 . 6.000 3.895 3.778 4.167 . 0 0 "[ . 1]" 1
366 2 11 GLY QA 2 12 GLY H 4.000 . 6.000 2.143 2.127 2.204 . 0 0 "[ . 1]" 1
367 2 12 GLY H 2 13 GLY H 4.000 . 6.000 4.008 3.914 4.084 . 0 0 "[ . 1]" 1
368 2 12 GLY QA 2 13 GLY H 4.000 . 6.000 2.373 2.324 2.439 . 0 0 "[ . 1]" 1
369 2 13 GLY H 2 14 GLY H 4.000 . 6.000 4.294 4.205 4.371 . 0 0 "[ . 1]" 1
370 2 13 GLY QA 2 14 GLY H 4.000 . 6.000 2.201 2.162 2.248 . 0 0 "[ . 1]" 1
371 2 14 GLY H 2 15 ARG H 4.000 . 6.000 3.005 2.983 3.031 . 0 0 "[ . 1]" 1
372 2 14 GLY H 2 15 ARG QG 4.000 . 6.000 3.728 3.640 3.811 . 0 0 "[ . 1]" 1
373 2 14 GLY QA 2 15 ARG H 4.000 . 6.000 2.641 2.628 2.657 . 0 0 "[ . 1]" 1
374 2 14 GLY QA 2 17 GLN H 4.000 . 6.000 4.350 3.681 5.026 . 0 0 "[ . 1]" 1
375 2 15 ARG H 2 16 GLY H 4.000 . 6.000 4.457 4.408 4.500 . 0 0 "[ . 1]" 1
376 2 15 ARG HA 2 16 GLY H 4.000 . 6.000 2.088 2.008 2.148 . 0 0 "[ . 1]" 1
377 2 15 ARG QB 2 16 GLY H 4.000 . 6.000 3.300 3.162 3.362 . 0 0 "[ . 1]" 1
378 2 15 ARG QB 2 17 GLN H 4.000 . 6.000 4.937 4.587 5.393 . 0 0 "[ . 1]" 1
379 2 15 ARG QD 2 16 GLY H 4.000 . 6.000 4.765 4.329 5.213 . 0 0 "[ . 1]" 1
380 2 15 ARG QG 2 16 GLY H 4.000 . 6.000 4.475 4.442 4.532 . 0 0 "[ . 1]" 1
381 2 16 GLY H 2 17 GLN H 4.000 . 6.000 2.306 1.981 2.576 0.019 7 0 "[ . 1]" 1
382 2 16 GLY QA 2 17 GLN H 4.000 . 6.000 2.788 2.624 2.925 . 0 0 "[ . 1]" 1
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