NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
379690 |
1i3x   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1i3x
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 215
_Distance_constraint_stats_list.Viol_count 221
_Distance_constraint_stats_list.Viol_total 87.821
_Distance_constraint_stats_list.Viol_max 0.148
_Distance_constraint_stats_list.Viol_rms 0.0090
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0018
_Distance_constraint_stats_list.Viol_average_violations_only 0.0265
_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 0.498 0.049 11 0 "[ . 1 .]"
1 2 G 0.809 0.049 11 0 "[ . 1 .]"
1 3 C 0.469 0.032 3 0 "[ . 1 .]"
1 4 U 0.349 0.025 3 0 "[ . 1 .]"
1 5 G 0.643 0.046 3 0 "[ . 1 .]"
1 6 G 0.445 0.046 3 0 "[ . 1 .]"
1 7 C 0.037 0.011 8 0 "[ . 1 .]"
1 8 U 0.317 0.032 3 0 "[ . 1 .]"
1 9 G 0.060 0.030 3 0 "[ . 1 .]"
1 10 U 0.048 0.015 8 0 "[ . 1 .]"
1 11 U 1.235 0.075 3 0 "[ . 1 .]"
1 12 C 1.592 0.148 8 0 "[ . 1 .]"
1 13 G 2.330 0.148 8 0 "[ . 1 .]"
1 14 C 0.261 0.057 7 0 "[ . 1 .]"
1 15 C 0.412 0.043 14 0 "[ . 1 .]"
1 16 A 0.987 0.066 14 0 "[ . 1 .]"
1 17 G 0.875 0.066 14 0 "[ . 1 .]"
1 18 C 0.255 0.044 14 0 "[ . 1 .]"
1 19 C 0.013 0.005 5 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 C5' 1 1 G H8 0.000 . 5.000 3.045 2.993 3.299 . 0 0 "[ . 1 .]" 1
2 1 1 G H1 1 2 G H1 0.000 . 4.000 3.695 3.491 3.851 . 0 0 "[ . 1 .]" 1
3 1 1 G H1 1 2 G H1' 0.000 . 6.000 4.809 4.676 5.197 . 0 0 "[ . 1 .]" 1
4 1 1 G H1 1 19 C H1' 0.000 . 6.000 4.653 4.421 4.795 . 0 0 "[ . 1 .]" 1
5 1 1 G H1 1 19 C N4 0.000 . 4.000 3.497 3.278 3.901 . 0 0 "[ . 1 .]" 1
6 1 1 G H1' 1 1 G H8 0.000 . 4.000 3.659 3.597 3.728 . 0 0 "[ . 1 .]" 1
7 1 1 G H1' 1 2 G H1' 0.000 . 6.000 5.817 5.489 6.000 . 0 0 "[ . 1 .]" 1
8 1 1 G H1' 1 2 G H8 0.000 . 5.000 4.542 4.462 4.635 . 0 0 "[ . 1 .]" 1
9 1 1 G H2' 1 2 G H8 0.000 . 3.000 1.992 1.907 2.134 . 0 0 "[ . 1 .]" 1
10 1 1 G H3' 1 1 G H8 0.000 . 4.000 3.171 2.943 3.402 . 0 0 "[ . 1 .]" 1
11 1 1 G H3' 1 2 G H8 0.000 . 4.000 2.710 2.322 3.004 . 0 0 "[ . 1 .]" 1
12 1 1 G H4' 1 1 G H8 0.000 . 5.000 4.205 4.179 4.317 . 0 0 "[ . 1 .]" 1
13 1 1 G H8 1 2 G H8 0.000 . 5.000 5.033 5.022 5.049 0.049 11 0 "[ . 1 .]" 1
14 1 1 G N1 1 19 C N3 0.000 . 3.200 2.817 2.748 2.946 . 0 0 "[ . 1 .]" 1
15 1 1 G N2 1 2 G H1' 0.000 . 5.000 2.898 2.779 3.259 . 0 0 "[ . 1 .]" 1
16 1 2 G C5' 1 2 G H8 0.000 . 5.000 3.154 3.085 3.309 . 0 0 "[ . 1 .]" 1
17 1 2 G H1 1 3 C H1' 0.000 . 6.000 4.647 3.999 5.378 . 0 0 "[ . 1 .]" 1
18 1 2 G H1 1 18 C H1' 0.000 . 6.000 4.723 4.445 4.885 . 0 0 "[ . 1 .]" 1
19 1 2 G H1 1 18 C H5 0.000 . 6.000 5.134 5.028 5.594 . 0 0 "[ . 1 .]" 1
20 1 2 G H1 1 18 C N4 0.000 . 4.000 3.336 3.186 3.983 . 0 0 "[ . 1 .]" 1
21 1 2 G H1 1 19 C H1' 0.000 . 6.000 4.504 3.804 4.963 . 0 0 "[ . 1 .]" 1
22 1 2 G H1' 1 2 G H8 0.000 . 4.000 3.715 3.691 3.763 . 0 0 "[ . 1 .]" 1
23 1 2 G H1' 1 3 C H6 0.000 . 5.000 4.716 4.684 4.796 . 0 0 "[ . 1 .]" 1
24 1 2 G H2' 1 2 G H8 0.000 . 5.000 4.205 4.096 4.251 . 0 0 "[ . 1 .]" 1
25 1 2 G H2' 1 3 C H6 0.000 . 3.000 2.074 2.037 2.178 . 0 0 "[ . 1 .]" 1
26 1 2 G H3' 1 2 G H8 0.000 . 4.000 3.051 2.870 3.132 . 0 0 "[ . 1 .]" 1
27 1 2 G H3' 1 3 C H6 0.000 . 4.000 2.746 2.634 2.841 . 0 0 "[ . 1 .]" 1
28 1 2 G H8 1 3 C H5 0.000 . 6.000 3.846 3.556 3.988 . 0 0 "[ . 1 .]" 1
29 1 2 G H8 1 3 C H6 0.000 . 5.000 5.005 4.760 5.032 0.032 3 0 "[ . 1 .]" 1
30 1 2 G N1 1 18 C N3 0.000 . 3.200 2.743 2.683 2.976 . 0 0 "[ . 1 .]" 1
31 1 2 G N2 1 3 C H1' 0.000 . 5.000 3.085 2.717 3.969 . 0 0 "[ . 1 .]" 1
32 1 3 C H1' 1 3 C H5 0.000 . 6.000 5.337 5.330 5.348 . 0 0 "[ . 1 .]" 1
33 1 3 C H1' 1 3 C H6 0.000 . 4.000 3.589 3.575 3.606 . 0 0 "[ . 1 .]" 1
34 1 3 C H1' 1 4 U H1' 0.000 . 6.000 5.504 5.211 5.828 . 0 0 "[ . 1 .]" 1
35 1 3 C H1' 1 4 U H6 0.000 . 5.000 4.781 4.728 4.837 . 0 0 "[ . 1 .]" 1
36 1 3 C H2' 1 4 U H6 0.000 . 3.000 2.124 2.063 2.183 . 0 0 "[ . 1 .]" 1
37 1 3 C H3' 1 3 C H6 0.000 . 4.000 2.627 2.550 2.676 . 0 0 "[ . 1 .]" 1
38 1 3 C H3' 1 4 U H6 0.000 . 4.000 3.135 3.022 3.253 . 0 0 "[ . 1 .]" 1
39 1 3 C H5 1 4 U H5 0.000 . 5.000 4.051 3.922 4.154 . 0 0 "[ . 1 .]" 1
40 1 3 C H6 1 4 U H6 0.000 . 5.000 5.003 4.913 5.022 0.022 5 0 "[ . 1 .]" 1
41 1 3 C N3 1 17 G N1 0.000 . 3.200 2.981 2.744 3.029 . 0 0 "[ . 1 .]" 1
42 1 3 C N4 1 4 U H3 0.000 . 5.000 4.152 3.868 4.287 . 0 0 "[ . 1 .]" 1
43 1 3 C N4 1 17 G H1 0.000 . 4.000 3.923 3.305 4.007 0.007 1 0 "[ . 1 .]" 1
44 1 4 U C5' 1 4 U H6 0.000 . 5.000 2.929 2.866 3.021 . 0 0 "[ . 1 .]" 1
45 1 4 U H1' 1 4 U H5 0.000 . 6.000 5.379 5.365 5.390 . 0 0 "[ . 1 .]" 1
46 1 4 U H1' 1 4 U H6 0.000 . 4.000 3.626 3.607 3.640 . 0 0 "[ . 1 .]" 1
47 1 4 U H1' 1 5 G H1' 0.000 . 6.000 5.348 5.029 5.703 . 0 0 "[ . 1 .]" 1
48 1 4 U H1' 1 5 G H8 0.000 . 5.000 4.411 4.328 4.495 . 0 0 "[ . 1 .]" 1
49 1 4 U H2' 1 4 U H6 0.000 . 5.000 3.777 3.707 3.853 . 0 0 "[ . 1 .]" 1
50 1 4 U H2' 1 5 G H8 0.000 . 3.000 1.960 1.906 2.059 . 0 0 "[ . 1 .]" 1
51 1 4 U H3 1 5 G H1' 0.000 . 6.000 5.078 4.872 5.295 . 0 0 "[ . 1 .]" 1
52 1 4 U H3 1 16 A H2 0.000 . 3.500 2.750 2.691 2.814 . 0 0 "[ . 1 .]" 1
53 1 4 U H3' 1 4 U H6 0.000 . 4.000 2.432 2.388 2.506 . 0 0 "[ . 1 .]" 1
54 1 4 U H3' 1 5 G H8 0.000 . 4.000 3.060 2.804 3.203 . 0 0 "[ . 1 .]" 1
55 1 4 U H5 1 5 G H8 0.000 . 5.000 5.014 5.004 5.025 0.025 3 0 "[ . 1 .]" 1
56 1 4 U H6 1 5 G H8 0.000 . 5.000 4.345 4.266 4.421 . 0 0 "[ . 1 .]" 1
57 1 4 U N3 1 16 A N1 0.000 . 3.200 2.675 2.655 2.710 . 0 0 "[ . 1 .]" 1
58 1 5 G C5' 1 5 G H8 0.000 . 5.000 3.553 3.468 3.635 . 0 0 "[ . 1 .]" 1
59 1 5 G H1 1 6 G H1 0.000 . 4.000 3.611 3.448 3.900 . 0 0 "[ . 1 .]" 1
60 1 5 G H1 1 15 C N4 0.000 . 4.000 3.150 3.023 3.273 . 0 0 "[ . 1 .]" 1
61 1 5 G H1' 1 5 G H8 0.000 . 4.000 3.725 3.690 3.756 . 0 0 "[ . 1 .]" 1
62 1 5 G H1' 1 6 G H8 0.000 . 5.000 4.549 4.462 4.666 . 0 0 "[ . 1 .]" 1
63 1 5 G H1' 1 16 A H2 0.000 . 5.000 3.191 2.788 3.542 . 0 0 "[ . 1 .]" 1
64 1 5 G H2' 1 5 G H8 0.000 . 5.000 4.116 4.025 4.210 . 0 0 "[ . 1 .]" 1
65 1 5 G H2' 1 6 G H1' 0.000 . 5.000 4.131 3.849 4.379 . 0 0 "[ . 1 .]" 1
66 1 5 G H2' 1 6 G H8 0.000 . 3.000 1.896 1.836 1.988 . 0 0 "[ . 1 .]" 1
67 1 5 G H3' 1 5 G H8 0.000 . 4.000 3.086 2.976 3.225 . 0 0 "[ . 1 .]" 1
68 1 5 G H3' 1 6 G H8 0.000 . 4.000 3.184 2.953 3.422 . 0 0 "[ . 1 .]" 1
69 1 5 G H4' 1 5 G H8 0.000 . 5.000 4.415 4.377 4.452 . 0 0 "[ . 1 .]" 1
70 1 5 G H8 1 6 G H8 0.000 . 5.000 5.029 5.019 5.046 0.046 3 0 "[ . 1 .]" 1
71 1 5 G H8 1 16 A H2 0.000 . 6.000 4.698 4.440 5.080 . 0 0 "[ . 1 .]" 1
72 1 5 G N1 1 15 C N3 0.000 . 3.200 2.709 2.669 2.756 . 0 0 "[ . 1 .]" 1
73 1 6 G C5' 1 6 G H8 0.000 . 5.000 3.347 3.230 3.427 . 0 0 "[ . 1 .]" 1
74 1 6 G H1 1 13 G H1 0.000 . 4.000 3.142 2.874 3.329 . 0 0 "[ . 1 .]" 1
75 1 6 G H1 1 14 C H1' 0.000 . 6.000 4.665 4.404 5.054 . 0 0 "[ . 1 .]" 1
76 1 6 G H1 1 14 C N4 0.000 . 4.000 3.618 2.941 4.008 0.008 6 0 "[ . 1 .]" 1
77 1 6 G H1 1 15 C H1' 0.000 . 5.000 4.205 3.811 4.995 . 0 0 "[ . 1 .]" 1
78 1 6 G H1' 1 6 G H8 0.000 . 4.000 3.751 3.723 3.779 . 0 0 "[ . 1 .]" 1
79 1 6 G H1' 1 7 C H1' 0.000 . 6.000 5.017 4.783 5.698 . 0 0 "[ . 1 .]" 1
80 1 6 G H1' 1 7 C H5 0.000 . 6.000 5.697 5.493 5.834 . 0 0 "[ . 1 .]" 1
81 1 6 G H1' 1 7 C H6 0.000 . 5.000 4.693 4.617 4.775 . 0 0 "[ . 1 .]" 1
82 1 6 G H2' 1 7 C H6 0.000 . 3.000 2.048 1.973 2.109 . 0 0 "[ . 1 .]" 1
83 1 6 G H3' 1 7 C H6 0.000 . 4.000 2.778 2.418 3.541 . 0 0 "[ . 1 .]" 1
84 1 6 G N1 1 14 C N3 0.000 . 3.200 2.871 2.711 3.005 . 0 0 "[ . 1 .]" 1
85 1 7 C C5' 1 7 C H6 0.000 . 5.000 2.896 2.707 3.014 . 0 0 "[ . 1 .]" 1
86 1 7 C H1' 1 7 C H5 0.000 . 6.000 5.332 5.314 5.362 . 0 0 "[ . 1 .]" 1
87 1 7 C H1' 1 7 C H6 0.000 . 4.000 3.584 3.554 3.635 . 0 0 "[ . 1 .]" 1
88 1 7 C H1' 1 13 G H1 0.000 . 6.000 4.576 4.364 4.714 . 0 0 "[ . 1 .]" 1
89 1 7 C H2' 1 7 C H5 0.000 . 6.000 5.376 5.279 5.432 . 0 0 "[ . 1 .]" 1
90 1 7 C H2' 1 7 C H6 0.000 . 5.000 3.916 3.766 4.002 . 0 0 "[ . 1 .]" 1
91 1 7 C H2' 1 8 U H5 0.000 . 5.000 3.231 2.910 5.011 0.011 8 0 "[ . 1 .]" 1
92 1 7 C H2' 1 8 U H6 0.000 . 4.000 2.137 1.985 3.206 . 0 0 "[ . 1 .]" 1
93 1 7 C H2' 1 13 G H1 0.000 . 6.000 4.435 4.159 4.897 . 0 0 "[ . 1 .]" 1
94 1 7 C H3' 1 7 C H5 0.000 . 5.000 4.436 4.277 4.502 . 0 0 "[ . 1 .]" 1
95 1 7 C H3' 1 7 C H6 0.000 . 4.000 2.684 2.420 2.792 . 0 0 "[ . 1 .]" 1
96 1 7 C H3' 1 8 U H6 0.000 . 5.000 3.482 2.981 3.731 . 0 0 "[ . 1 .]" 1
97 1 7 C H4' 1 7 C H6 0.000 . 5.000 3.936 3.827 3.995 . 0 0 "[ . 1 .]" 1
98 1 7 C H5 1 8 U H5 0.000 . 5.000 4.399 3.693 5.011 0.011 14 0 "[ . 1 .]" 1
99 1 7 C H6 1 8 U H5 0.000 . 5.000 4.369 3.994 4.788 . 0 0 "[ . 1 .]" 1
100 1 7 C H6 1 8 U H6 0.000 . 6.000 5.332 4.578 5.613 . 0 0 "[ . 1 .]" 1
101 1 7 C N3 1 13 G N1 0.000 . 3.200 2.851 2.722 3.066 . 0 0 "[ . 1 .]" 1
102 1 7 C N4 1 8 U H3 0.000 . 6.000 5.329 3.157 6.003 0.003 6 0 "[ . 1 .]" 1
103 1 7 C N4 1 13 G H1 0.000 . 4.000 3.665 3.373 4.007 0.007 3 0 "[ . 1 .]" 1
104 1 7 C N4 1 14 C N4 0.000 . 6.000 5.289 4.894 5.823 . 0 0 "[ . 1 .]" 1
105 1 8 U C5' 1 8 U H6 0.000 . 5.000 2.896 2.724 3.984 . 0 0 "[ . 1 .]" 1
106 1 8 U H1' 1 13 G H1 0.000 . 5.000 4.846 3.421 5.032 0.032 3 0 "[ . 1 .]" 1
107 1 8 U H2' 1 8 U H6 0.000 . 5.000 3.802 2.847 4.020 . 0 0 "[ . 1 .]" 1
108 1 8 U H2' 1 9 G H1' 0.000 . 7.000 6.252 5.543 7.005 0.005 3 0 "[ . 1 .]" 1
109 1 8 U H2' 1 9 G H2' 0.000 . 7.000 5.658 4.895 7.009 0.009 11 0 "[ . 1 .]" 1
110 1 8 U H2' 1 9 G H8 3.000 3.000 8.000 4.951 3.911 6.928 . 0 0 "[ . 1 .]" 1
111 1 8 U H3 1 12 C H5 0.000 . 6.000 4.918 3.186 5.433 . 0 0 "[ . 1 .]" 1
112 1 8 U H3 1 12 C N4 0.000 . 5.000 3.351 2.799 5.025 0.025 14 0 "[ . 1 .]" 1
113 1 8 U H3' 1 8 U H6 0.000 . 4.000 2.714 2.464 3.693 . 0 0 "[ . 1 .]" 1
114 1 8 U H5 1 12 C N4 0.000 . 6.000 5.315 5.102 5.924 . 0 0 "[ . 1 .]" 1
115 1 9 G H1' 1 9 G H8 0.000 . 4.000 3.718 2.586 3.920 . 0 0 "[ . 1 .]" 1
116 1 9 G H1' 1 11 U H5 0.000 . 6.000 4.836 3.772 6.030 0.030 3 0 "[ . 1 .]" 1
117 1 9 G H2' 1 9 G H8 0.000 . 5.000 2.877 2.091 4.718 . 0 0 "[ . 1 .]" 1
118 1 9 G H4' 1 11 U H5 0.000 . 6.000 3.775 2.642 4.549 . 0 0 "[ . 1 .]" 1
119 1 10 U C5' 1 10 U H6 0.000 . 5.000 3.495 2.796 4.334 . 0 0 "[ . 1 .]" 1
120 1 10 U H1' 1 10 U H6 0.000 . 4.000 3.721 3.648 3.740 . 0 0 "[ . 1 .]" 1
121 1 10 U H1' 1 13 G H1' 0.000 . 7.000 5.744 4.064 7.015 0.015 8 0 "[ . 1 .]" 1
122 1 10 U H2' 1 10 U H6 0.000 . 3.000 2.363 2.067 3.005 0.005 11 0 "[ . 1 .]" 1
123 1 10 U H3' 1 10 U H6 0.000 . 5.000 4.278 3.957 4.573 . 0 0 "[ . 1 .]" 1
124 1 11 U C5' 1 11 U H6 0.000 . 5.000 3.314 3.008 3.679 . 0 0 "[ . 1 .]" 1
125 1 11 U C5' 1 12 C H1' 0.000 . 6.000 4.869 3.880 6.060 0.060 7 0 "[ . 1 .]" 1
126 1 11 U H1' 1 11 U H6 0.000 . 4.000 3.636 3.605 3.734 . 0 0 "[ . 1 .]" 1
127 1 11 U H1' 1 12 C H5 0.000 . 6.000 2.876 1.981 3.466 . 0 0 "[ . 1 .]" 1
128 1 11 U H1' 1 12 C H6 0.000 . 6.000 2.975 2.155 3.375 . 0 0 "[ . 1 .]" 1
129 1 11 U H1' 1 13 G H1' 0.000 . 7.000 6.250 3.615 7.024 0.024 4 0 "[ . 1 .]" 1
130 1 11 U H1' 1 13 G H8 0.000 . 6.000 5.961 5.375 6.045 0.045 1 0 "[ . 1 .]" 1
131 1 11 U H2' 1 11 U H6 0.000 . 4.000 2.972 2.272 3.148 . 0 0 "[ . 1 .]" 1
132 1 11 U H3' 1 11 U H6 0.000 . 5.000 4.739 4.348 4.872 . 0 0 "[ . 1 .]" 1
133 1 11 U H4' 1 12 C H5 0.000 . 7.000 5.131 4.086 6.214 . 0 0 "[ . 1 .]" 1
134 1 11 U H4' 1 12 C H6 0.000 . 6.000 3.302 2.124 4.315 . 0 0 "[ . 1 .]" 1
135 1 11 U H5 1 13 G H1' 0.000 . 6.000 5.948 4.801 6.075 0.075 3 0 "[ . 1 .]" 1
136 1 11 U H6 1 12 C H6 0.000 . 6.000 5.800 5.259 6.067 0.067 5 0 "[ . 1 .]" 1
137 1 11 U H6 1 13 G H1' 0.000 . 6.000 5.386 2.855 6.024 0.024 4 0 "[ . 1 .]" 1
138 1 12 C C5' 1 12 C H6 0.000 . 5.000 3.387 2.551 4.125 . 0 0 "[ . 1 .]" 1
139 1 12 C H1' 1 12 C H6 0.000 . 4.000 3.690 3.470 3.737 . 0 0 "[ . 1 .]" 1
140 1 12 C H1' 1 13 G H8 0.000 . 6.000 2.905 1.807 4.249 . 0 0 "[ . 1 .]" 1
141 1 12 C H2' 1 12 C H6 0.000 . 4.000 2.661 2.003 3.645 . 0 0 "[ . 1 .]" 1
142 1 12 C H2' 1 13 G H1' 0.000 . 6.000 5.543 3.363 6.148 0.148 8 0 "[ . 1 .]" 1
143 1 12 C H2' 1 13 G H8 0.000 . 5.000 3.087 1.875 4.629 . 0 0 "[ . 1 .]" 1
144 1 12 C H3' 1 12 C H6 0.000 . 5.000 3.701 1.939 5.069 0.069 7 0 "[ . 1 .]" 1
145 1 12 C H3' 1 13 G H8 0.000 . 5.000 4.229 2.955 4.723 . 0 0 "[ . 1 .]" 1
146 1 12 C H5 1 13 G H8 0.000 . 6.000 5.554 4.459 6.086 0.086 8 0 "[ . 1 .]" 1
147 1 12 C H6 1 13 G H8 0.000 . 6.000 4.331 3.828 4.767 . 0 0 "[ . 1 .]" 1
148 1 12 C N4 1 13 G H1 0.000 . 7.000 5.667 5.069 7.008 0.008 7 0 "[ . 1 .]" 1
149 1 13 G C5' 1 13 G H8 0.000 . 5.000 3.826 3.427 4.191 . 0 0 "[ . 1 .]" 1
150 1 13 G H1 1 14 C N4 0.000 . 5.000 4.309 3.813 5.035 0.035 7 0 "[ . 1 .]" 1
151 1 13 G H1' 1 13 G H8 0.000 . 4.000 3.707 3.592 3.759 . 0 0 "[ . 1 .]" 1
152 1 13 G H1' 1 14 C H5 0.000 . 6.000 5.639 5.274 6.057 0.057 7 0 "[ . 1 .]" 1
153 1 13 G H1' 1 14 C H6 0.000 . 5.000 4.758 4.586 4.936 . 0 0 "[ . 1 .]" 1
154 1 13 G H2' 1 13 G H8 0.000 . 5.000 4.046 3.861 4.305 . 0 0 "[ . 1 .]" 1
155 1 13 G H2' 1 14 C H1' 0.000 . 5.000 3.987 2.955 4.491 . 0 0 "[ . 1 .]" 1
156 1 13 G H2' 1 14 C H5 0.000 . 5.000 3.733 2.718 4.986 . 0 0 "[ . 1 .]" 1
157 1 13 G H2' 1 14 C H6 0.000 . 3.000 2.220 1.993 2.930 . 0 0 "[ . 1 .]" 1
158 1 13 G H3' 1 13 G H8 0.000 . 4.000 3.375 2.990 3.764 . 0 0 "[ . 1 .]" 1
159 1 13 G H3' 1 14 C H5 0.000 . 5.000 3.949 2.823 4.620 . 0 0 "[ . 1 .]" 1
160 1 13 G H3' 1 14 C H6 0.000 . 4.000 3.354 2.325 3.836 . 0 0 "[ . 1 .]" 1
161 1 13 G H8 1 14 C H5 0.000 . 5.000 4.102 3.532 4.628 . 0 0 "[ . 1 .]" 1
162 1 14 C C5' 1 14 C H6 0.000 . 5.000 2.807 2.635 2.944 . 0 0 "[ . 1 .]" 1
163 1 14 C H1' 1 14 C H6 0.000 . 4.000 3.506 3.340 3.654 . 0 0 "[ . 1 .]" 1
164 1 14 C H1' 1 15 C H1' 0.000 . 6.000 5.426 4.715 6.004 0.004 14 0 "[ . 1 .]" 1
165 1 14 C H2' 1 14 C H6 0.000 . 5.000 4.069 3.652 4.386 . 0 0 "[ . 1 .]" 1
166 1 14 C H2' 1 15 C H5 0.000 . 5.000 3.614 3.444 3.871 . 0 0 "[ . 1 .]" 1
167 1 14 C H2' 1 15 C H6 0.000 . 3.000 2.227 2.103 2.391 . 0 0 "[ . 1 .]" 1
168 1 14 C H3' 1 14 C H6 0.000 . 4.000 2.900 2.331 3.493 . 0 0 "[ . 1 .]" 1
169 1 14 C H5 1 15 C H5 0.000 . 5.000 4.750 4.083 5.010 0.010 11 0 "[ . 1 .]" 1
170 1 15 C C5' 1 15 C H6 0.000 . 5.000 2.783 2.706 3.025 . 0 0 "[ . 1 .]" 1
171 1 15 C H1' 1 15 C H5 0.000 . 6.000 5.362 5.343 5.384 . 0 0 "[ . 1 .]" 1
172 1 15 C H1' 1 15 C H6 0.000 . 5.000 3.623 3.598 3.654 . 0 0 "[ . 1 .]" 1
173 1 15 C H1' 1 16 A H1' 0.000 . 6.000 5.146 4.737 5.402 . 0 0 "[ . 1 .]" 1
174 1 15 C H1' 1 16 A H8 0.000 . 5.000 4.443 4.406 4.522 . 0 0 "[ . 1 .]" 1
175 1 15 C H2' 1 15 C H5 0.000 . 6.000 5.307 5.146 5.381 . 0 0 "[ . 1 .]" 1
176 1 15 C H2' 1 15 C H6 0.000 . 5.000 3.816 3.648 3.904 . 0 0 "[ . 1 .]" 1
177 1 15 C H2' 1 16 A H8 0.000 . 3.000 1.977 1.906 2.038 . 0 0 "[ . 1 .]" 1
178 1 15 C H5 1 16 A H8 0.000 . 5.000 5.025 5.015 5.043 0.043 14 0 "[ . 1 .]" 1
179 1 15 C H6 1 16 A H8 0.000 . 5.000 4.326 4.260 4.392 . 0 0 "[ . 1 .]" 1
180 1 16 A C5' 1 16 A H8 0.000 . 5.000 3.394 3.274 3.467 . 0 0 "[ . 1 .]" 1
181 1 16 A H1' 1 16 A H8 0.000 . 4.000 3.737 3.716 3.769 . 0 0 "[ . 1 .]" 1
182 1 16 A H1' 1 17 G H1' 0.000 . 6.000 5.986 5.871 6.021 0.021 12 0 "[ . 1 .]" 1
183 1 16 A H1' 1 17 G H8 0.000 . 5.000 4.510 4.449 4.598 . 0 0 "[ . 1 .]" 1
184 1 16 A H2 1 16 A H2' 0.000 . 5.000 4.581 4.495 4.706 . 0 0 "[ . 1 .]" 1
185 1 16 A H2 1 17 G H1' 0.000 . 5.000 3.996 3.710 4.332 . 0 0 "[ . 1 .]" 1
186 1 16 A H2 1 17 G H8 0.000 . 6.000 4.654 4.401 4.911 . 0 0 "[ . 1 .]" 1
187 1 16 A H2' 1 16 A H8 0.000 . 5.000 4.133 4.045 4.182 . 0 0 "[ . 1 .]" 1
188 1 16 A H2' 1 17 G H8 0.000 . 3.000 1.882 1.853 1.935 . 0 0 "[ . 1 .]" 1
189 1 16 A H3' 1 16 A H8 0.000 . 5.000 2.989 2.901 3.054 . 0 0 "[ . 1 .]" 1
190 1 16 A H3' 1 17 G H8 0.000 . 4.000 3.173 3.107 3.276 . 0 0 "[ . 1 .]" 1
191 1 16 A H8 1 17 G H8 0.000 . 5.000 5.036 5.018 5.066 0.066 14 0 "[ . 1 .]" 1
192 1 17 G C5' 1 17 G H8 0.000 . 5.000 3.366 3.266 3.471 . 0 0 "[ . 1 .]" 1
193 1 17 G H1' 1 17 G H8 0.000 . 4.000 3.729 3.707 3.760 . 0 0 "[ . 1 .]" 1
194 1 17 G H1' 1 18 C H6 0.000 . 5.000 4.714 4.662 4.783 . 0 0 "[ . 1 .]" 1
195 1 17 G H2' 1 17 G H8 0.000 . 5.000 4.141 4.053 4.196 . 0 0 "[ . 1 .]" 1
196 1 17 G H2' 1 18 C H6 0.000 . 3.000 2.027 1.976 2.126 . 0 0 "[ . 1 .]" 1
197 1 17 G H3' 1 18 C H6 0.000 . 4.000 2.893 2.717 3.083 . 0 0 "[ . 1 .]" 1
198 1 17 G H8 1 18 C H5 0.000 . 5.000 3.859 3.507 4.085 . 0 0 "[ . 1 .]" 1
199 1 17 G H8 1 18 C H6 0.000 . 5.000 5.008 4.895 5.044 0.044 14 0 "[ . 1 .]" 1
200 1 18 C H1' 1 18 C H6 0.000 . 4.000 3.603 3.575 3.624 . 0 0 "[ . 1 .]" 1
201 1 18 C H2' 1 18 C H6 0.000 . 5.000 3.864 3.791 3.954 . 0 0 "[ . 1 .]" 1
202 1 18 C H2' 1 19 C H6 0.000 . 3.000 2.155 2.092 2.233 . 0 0 "[ . 1 .]" 1
203 1 18 C H3' 1 18 C H5 0.000 . 6.000 4.398 4.345 4.445 . 0 0 "[ . 1 .]" 1
204 1 18 C H3' 1 18 C H6 0.000 . 4.000 2.604 2.517 2.710 . 0 0 "[ . 1 .]" 1
205 1 18 C H3' 1 19 C H5 0.000 . 6.000 3.079 2.782 3.238 . 0 0 "[ . 1 .]" 1
206 1 18 C H3' 1 19 C H6 0.000 . 4.000 2.983 2.749 3.119 . 0 0 "[ . 1 .]" 1
207 1 18 C H5 1 19 C H5 0.000 . 5.000 3.940 3.745 4.097 . 0 0 "[ . 1 .]" 1
208 1 18 C H5 1 19 C H6 0.000 . 6.000 5.724 5.400 5.899 . 0 0 "[ . 1 .]" 1
209 1 18 C H6 1 19 C H6 0.000 . 5.000 4.859 4.593 5.005 0.005 5 0 "[ . 1 .]" 1
210 1 19 C H1' 1 19 C H5 0.000 . 6.000 5.359 5.347 5.376 . 0 0 "[ . 1 .]" 1
211 1 19 C H1' 1 19 C H6 0.000 . 5.000 3.624 3.606 3.649 . 0 0 "[ . 1 .]" 1
212 1 19 C H2' 1 19 C H5 0.000 . 6.000 5.292 5.249 5.347 . 0 0 "[ . 1 .]" 1
213 1 19 C H2' 1 19 C H6 0.000 . 5.000 3.792 3.736 3.857 . 0 0 "[ . 1 .]" 1
214 1 19 C H3' 1 19 C H6 0.000 . 4.000 2.423 2.289 2.508 . 0 0 "[ . 1 .]" 1
215 1 19 C H4' 1 19 C H6 0.000 . 6.000 3.933 3.884 3.984 . 0 0 "[ . 1 .]" 1
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