NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
448444 |
2o32   |
15081 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2o32
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 172
_Distance_constraint_stats_list.Viol_count 264
_Distance_constraint_stats_list.Viol_total 334.713
_Distance_constraint_stats_list.Viol_max 0.306
_Distance_constraint_stats_list.Viol_rms 0.0225
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0049
_Distance_constraint_stats_list.Viol_average_violations_only 0.0634
_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 PSU 1.742 0.105 16 0 "[ . 1 . 2]"
1 2 C 2.323 0.105 16 0 "[ . 1 . 2]"
1 3 U 0.603 0.067 17 0 "[ . 1 . 2]"
1 4 C 0.398 0.077 11 0 "[ . 1 . 2]"
1 5 OMG 0.307 0.077 11 0 "[ . 1 . 2]"
1 6 OMG 0.129 0.027 15 0 "[ . 1 . 2]"
1 7 C 1.375 0.115 5 0 "[ . 1 . 2]"
1 8 C 5.111 0.306 19 0 "[ . 1 . 2]"
1 9 PSU 5.005 0.306 19 0 "[ . 1 . 2]"
1 10 U 0.135 0.033 17 0 "[ . 1 . 2]"
1 11 U 2.455 0.223 13 0 "[ . 1 . 2]"
1 12 U 0.904 0.082 8 0 "[ . 1 . 2]"
1 13 OMG 0.632 0.079 6 0 "[ . 1 . 2]"
1 14 G 0.030 0.017 15 0 "[ . 1 . 2]"
1 15 C 1.667 0.138 2 0 "[ . 1 . 2]"
1 16 U 3.216 0.186 10 0 "[ . 1 . 2]"
1 17 A 2.081 0.186 10 0 "[ . 1 . 2]"
1 18 A 0.501 0.081 14 0 "[ . 1 . 2]"
1 19 OMG 1.120 0.092 15 0 "[ . 1 . 2]"
1 20 A 1.120 0.092 15 0 "[ . 1 . 2]"
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 PSU H1' 1 1 PSU H6 4.000 . 4.800 3.621 3.381 3.686 . 0 0 "[ . 1 . 2]" 1
2 1 1 PSU H1' 1 2 C H1' 6.000 3.000 7.000 5.719 5.177 7.004 0.004 18 0 "[ . 1 . 2]" 1
3 1 1 PSU H1' 1 2 C H6 4.500 . 5.400 4.878 4.730 5.041 . 0 0 "[ . 1 . 2]" 1
4 1 1 PSU H2' 1 1 PSU H6 4.000 . 4.800 3.627 3.341 4.239 . 0 0 "[ . 1 . 2]" 1
5 1 1 PSU H2' 1 2 C H1' 4.500 . 5.400 4.724 4.613 4.877 . 0 0 "[ . 1 . 2]" 1
6 1 1 PSU H2' 1 2 C H5 2.100 . 2.500 2.586 2.552 2.605 0.105 16 0 "[ . 1 . 2]" 1
7 1 1 PSU H2' 1 2 C H6 3.500 . 4.200 2.386 2.196 2.557 . 0 0 "[ . 1 . 2]" 1
8 1 1 PSU H5' 1 1 PSU H6 4.500 . 5.400 3.067 2.775 3.315 . 0 0 "[ . 1 . 2]" 1
9 1 1 PSU H6 1 2 C H5 4.600 . 5.600 4.661 4.043 4.893 . 0 0 "[ . 1 . 2]" 1
10 1 1 PSU H6 1 2 C H6 5.000 . 6.000 5.794 5.644 6.014 0.014 17 0 "[ . 1 . 2]" 1
11 1 2 C H1' 1 2 C H5 6.000 3.000 7.000 5.376 5.347 5.385 . 0 0 "[ . 1 . 2]" 1
12 1 2 C H1' 1 2 C H6 4.000 . 4.800 3.668 3.627 3.685 . 0 0 "[ . 1 . 2]" 1
13 1 2 C H1' 1 3 U H6 4.500 . 5.400 5.191 4.999 5.338 . 0 0 "[ . 1 . 2]" 1
14 1 2 C H2' 1 2 C H5 6.000 3.000 7.000 5.123 5.055 5.259 . 0 0 "[ . 1 . 2]" 1
15 1 2 C H2' 1 2 C H6 4.000 . 5.000 3.504 3.411 3.690 . 0 0 "[ . 1 . 2]" 1
16 1 2 C H2' 1 3 U H1' 4.000 . 4.900 4.841 4.577 4.967 0.067 17 0 "[ . 1 . 2]" 1
17 1 2 C H2' 1 3 U H5 3.500 . 4.400 2.756 2.349 3.439 . 0 0 "[ . 1 . 2]" 1
18 1 2 C H2' 1 3 U H6 2.100 . 2.500 2.431 2.240 2.563 0.063 11 0 "[ . 1 . 2]" 1
19 1 2 C H5 1 2 C H5'' 6.000 3.000 7.000 5.471 5.302 5.618 . 0 0 "[ . 1 . 2]" 1
20 1 2 C H5 1 3 U H5 4.600 . 5.600 3.816 3.247 4.188 . 0 0 "[ . 1 . 2]" 1
21 1 2 C H5'' 1 2 C H6 6.000 3.000 7.000 3.355 3.215 3.481 . 0 0 "[ . 1 . 2]" 1
22 1 2 C H6 1 3 U H5 4.600 . 5.600 3.354 3.001 3.804 . 0 0 "[ . 1 . 2]" 1
23 1 2 C H6 1 3 U H6 5.000 . 6.000 4.958 4.538 5.112 . 0 0 "[ . 1 . 2]" 1
24 1 3 U H1' 1 3 U H6 4.000 . 4.800 3.673 3.624 3.695 . 0 0 "[ . 1 . 2]" 1
25 1 3 U H1' 1 4 C H5 6.000 3.000 7.000 6.127 5.671 6.541 . 0 0 "[ . 1 . 2]" 1
26 1 3 U H1' 1 4 C H6 4.500 . 5.400 4.952 4.644 5.207 . 0 0 "[ . 1 . 2]" 1
27 1 3 U H2' 1 3 U H6 4.000 . 4.800 3.492 3.375 3.723 . 0 0 "[ . 1 . 2]" 1
28 1 3 U H2' 1 4 C H1' 4.500 . 5.400 3.894 3.588 4.115 . 0 0 "[ . 1 . 2]" 1
29 1 3 U H2' 1 4 C H5 3.500 . 4.200 3.866 3.476 4.222 0.022 3 0 "[ . 1 . 2]" 1
30 1 3 U H2' 1 4 C H6 2.100 . 2.500 2.252 2.193 2.446 . 0 0 "[ . 1 . 2]" 1
31 1 3 U H5 1 4 C H5 4.600 . 5.600 4.355 2.456 5.158 . 0 0 "[ . 1 . 2]" 1
32 1 3 U H5'' 1 3 U H6 6.000 3.000 7.000 3.549 3.450 3.785 . 0 0 "[ . 1 . 2]" 1
33 1 3 U H6 1 4 C H5 4.600 . 5.600 4.034 3.040 4.618 . 0 0 "[ . 1 . 2]" 1
34 1 3 U H6 1 4 C H6 5.000 . 6.000 4.510 3.592 4.994 . 0 0 "[ . 1 . 2]" 1
35 1 4 C H1' 1 4 C H5 6.000 3.000 7.000 5.335 5.274 5.369 . 0 0 "[ . 1 . 2]" 1
36 1 4 C H1' 1 4 C H6 4.000 . 4.800 3.600 3.504 3.649 . 0 0 "[ . 1 . 2]" 1
37 1 4 C H1' 1 5 OMG H8 4.500 . 5.400 4.609 4.050 5.171 . 0 0 "[ . 1 . 2]" 1
38 1 4 C H2' 1 4 C H6 4.000 . 4.800 3.734 3.504 3.971 . 0 0 "[ . 1 . 2]" 1
39 1 4 C H2' 1 5 OMG H1' 4.500 . 5.400 4.360 2.892 5.440 0.040 2 0 "[ . 1 . 2]" 1
40 1 4 C H2' 1 5 OMG H8 2.100 . 2.500 2.285 2.173 2.577 0.077 11 0 "[ . 1 . 2]" 1
41 1 4 C H5 1 4 C H5'' 6.000 3.000 7.000 5.457 4.909 6.019 . 0 0 "[ . 1 . 2]" 1
42 1 4 C H5'' 1 4 C H6 6.000 3.000 7.000 3.363 2.952 3.793 0.048 15 0 "[ . 1 . 2]" 1
43 1 4 C H6 1 5 OMG H8 5.000 . 6.000 5.666 4.988 6.051 0.051 15 0 "[ . 1 . 2]" 1
44 1 5 OMG H1' 1 5 OMG H8 4.000 . 4.800 3.600 3.582 3.649 . 0 0 "[ . 1 . 2]" 1
45 1 5 OMG H1' 1 6 OMG H8 4.500 . 5.400 4.617 4.495 4.746 . 0 0 "[ . 1 . 2]" 1
46 1 5 OMG H2' 1 5 OMG H8 4.000 . 4.800 4.283 4.188 4.332 . 0 0 "[ . 1 . 2]" 1
47 1 5 OMG H2' 1 6 OMG H1' 4.500 . 5.400 4.157 3.523 4.662 . 0 0 "[ . 1 . 2]" 1
48 1 5 OMG H2' 1 6 OMG H8 2.100 . 2.500 2.263 2.181 2.513 0.013 20 0 "[ . 1 . 2]" 1
49 1 5 OMG H8 1 6 OMG H8 6.000 3.000 7.000 4.591 4.261 4.789 . 0 0 "[ . 1 . 2]" 1
50 1 6 OMG H1' 1 6 OMG H8 4.000 . 4.800 3.719 3.652 3.764 . 0 0 "[ . 1 . 2]" 1
51 1 6 OMG H1' 1 7 C H5 6.000 3.000 7.000 5.300 5.208 5.387 . 0 0 "[ . 1 . 2]" 1
52 1 6 OMG H1' 1 7 C H6 4.500 . 5.400 4.984 4.952 5.010 . 0 0 "[ . 1 . 2]" 1
53 1 6 OMG H2' 1 6 OMG H8 4.000 . 4.800 3.946 3.797 4.109 . 0 0 "[ . 1 . 2]" 1
54 1 6 OMG H2' 1 7 C H1' 4.500 . 5.400 4.093 3.928 4.321 . 0 0 "[ . 1 . 2]" 1
55 1 6 OMG H2' 1 7 C H5 3.500 . 4.200 3.196 3.134 3.263 . 0 0 "[ . 1 . 2]" 1
56 1 6 OMG H2' 1 7 C H6 2.100 . 2.500 2.193 2.181 2.202 . 0 0 "[ . 1 . 2]" 1
57 1 6 OMG H3' 1 6 OMG H8 4.000 . 4.900 3.033 2.846 3.269 . 0 0 "[ . 1 . 2]" 1
58 1 6 OMG H3' 1 7 C H5 5.000 3.000 6.000 3.095 2.973 3.412 0.027 15 0 "[ . 1 . 2]" 1
59 1 6 OMG H5' 1 6 OMG H8 6.000 3.000 7.000 3.472 3.188 3.662 . 0 0 "[ . 1 . 2]" 1
60 1 6 OMG H8 1 7 C H6 6.000 3.000 7.000 5.171 4.958 5.471 . 0 0 "[ . 1 . 2]" 1
61 1 7 C H1' 1 7 C H6 4.000 . 4.800 3.618 3.570 3.662 . 0 0 "[ . 1 . 2]" 1
62 1 7 C H1' 1 8 C H6 4.500 . 5.400 5.201 4.862 5.419 0.019 11 0 "[ . 1 . 2]" 1
63 1 7 C H2' 1 7 C H5 4.500 . 5.400 5.161 5.035 5.278 . 0 0 "[ . 1 . 2]" 1
64 1 7 C H2' 1 7 C H6 4.500 . 5.400 3.616 3.423 3.800 . 0 0 "[ . 1 . 2]" 1
65 1 7 C H2' 1 8 C H1' 4.500 . 5.400 4.298 3.929 4.538 . 0 0 "[ . 1 . 2]" 1
66 1 7 C H2' 1 8 C H5 3.500 . 4.200 3.106 2.784 3.493 . 0 0 "[ . 1 . 2]" 1
67 1 7 C H2' 1 8 C H6 2.100 . 2.500 2.436 2.192 2.615 0.115 5 0 "[ . 1 . 2]" 1
68 1 7 C H5 1 8 C H5 4.600 . 5.600 4.653 3.940 5.452 . 0 0 "[ . 1 . 2]" 1
69 1 7 C H6 1 8 C H5 4.600 . 5.600 4.246 3.630 4.963 . 0 0 "[ . 1 . 2]" 1
70 1 8 C H1' 1 8 C H6 4.000 . 4.800 3.627 3.496 3.709 . 0 0 "[ . 1 . 2]" 1
71 1 8 C H1' 1 9 PSU H3' 5.000 2.200 6.000 6.188 6.102 6.306 0.306 19 0 "[ . 1 . 2]" 1
72 1 8 C H1' 1 9 PSU H6 4.500 . 5.400 4.221 3.413 4.910 . 0 0 "[ . 1 . 2]" 1
73 1 8 C H2' 1 8 C H6 4.600 . 5.600 3.576 3.155 4.057 . 0 0 "[ . 1 . 2]" 1
74 1 8 C H2' 1 9 PSU H1' 4.000 . 4.900 4.106 3.136 4.960 0.060 6 0 "[ . 1 . 2]" 1
75 1 8 C H2' 1 9 PSU H3' 3.500 . 4.200 3.762 3.368 4.203 0.003 20 0 "[ . 1 . 2]" 1
76 1 8 C H2' 1 9 PSU H5' 3.500 . 4.200 2.868 2.189 3.777 . 0 0 "[ . 1 . 2]" 1
77 1 8 C H2' 1 9 PSU H5'' 3.500 . 4.200 3.472 3.213 4.035 . 0 0 "[ . 1 . 2]" 1
78 1 8 C H2' 1 9 PSU H6 2.100 . 2.500 2.195 2.137 2.401 . 0 0 "[ . 1 . 2]" 1
79 1 8 C H3' 1 8 C H6 4.600 . 5.600 2.461 2.145 2.986 . 0 0 "[ . 1 . 2]" 1
80 1 8 C H3' 1 9 PSU H6 4.600 . 5.600 3.609 2.911 4.466 . 0 0 "[ . 1 . 2]" 1
81 1 8 C H5 1 9 PSU H6 6.000 3.000 7.000 4.910 4.084 5.584 . 0 0 "[ . 1 . 2]" 1
82 1 8 C H5'' 1 8 C H6 6.000 3.000 7.000 3.591 3.389 4.005 . 0 0 "[ . 1 . 2]" 1
83 1 8 C H6 1 9 PSU H6 4.600 . 5.600 4.332 3.593 5.006 . 0 0 "[ . 1 . 2]" 1
84 1 9 PSU H1' 1 9 PSU H6 6.000 3.000 7.000 3.493 3.182 3.720 . 0 0 "[ . 1 . 2]" 1
85 1 9 PSU H2' 1 9 PSU H6 6.000 3.000 7.000 3.770 2.995 4.399 0.005 9 0 "[ . 1 . 2]" 1
86 1 9 PSU H2' 1 10 U H5 5.000 . 6.000 5.439 4.493 6.006 0.006 8 0 "[ . 1 . 2]" 1
87 1 9 PSU H2' 1 10 U H6 3.500 . 4.400 3.965 3.159 4.424 0.024 14 0 "[ . 1 . 2]" 1
88 1 9 PSU H2' 1 11 U H5 4.000 . 4.800 3.965 2.243 4.840 0.040 13 0 "[ . 1 . 2]" 1
89 1 9 PSU H2' 1 11 U H6 6.000 3.000 7.000 5.015 3.652 6.345 . 0 0 "[ . 1 . 2]" 1
90 1 9 PSU H3' 1 9 PSU H6 4.600 . 5.600 2.983 2.186 3.814 . 0 0 "[ . 1 . 2]" 1
91 1 9 PSU H3' 1 10 U H5 4.500 2.500 5.500 4.874 3.611 5.512 0.012 10 0 "[ . 1 . 2]" 1
92 1 9 PSU H3' 1 10 U H6 4.500 . 5.400 3.982 2.261 4.900 . 0 0 "[ . 1 . 2]" 1
93 1 9 PSU H5' 1 9 PSU H6 5.500 3.500 6.500 3.477 3.371 3.762 0.129 17 0 "[ . 1 . 2]" 1
94 1 9 PSU H5' 1 10 U H5 6.000 3.000 7.000 5.084 2.993 7.015 0.015 15 0 "[ . 1 . 2]" 1
95 1 9 PSU H6 1 10 U H6 6.000 3.000 7.000 6.248 4.435 7.033 0.033 17 0 "[ . 1 . 2]" 1
96 1 10 U H1' 1 10 U H6 4.000 . 4.800 3.555 3.140 3.728 . 0 0 "[ . 1 . 2]" 1
97 1 10 U H2' 1 10 U H5 5.000 3.000 6.000 4.738 4.290 5.583 . 0 0 "[ . 1 . 2]" 1
98 1 10 U H2' 1 10 U H6 4.000 . 4.800 2.915 2.176 4.153 . 0 0 "[ . 1 . 2]" 1
99 1 10 U H2' 1 11 U H5 4.000 . 4.800 3.920 2.201 4.802 0.002 4 0 "[ . 1 . 2]" 1
100 1 10 U H3' 1 10 U H6 4.500 . 5.400 4.525 4.060 5.400 0.000 12 0 "[ . 1 . 2]" 1
101 1 11 U H1' 1 11 U H6 4.000 . 4.800 3.682 3.070 3.726 . 0 0 "[ . 1 . 2]" 1
102 1 11 U H1' 1 12 U H5 5.000 . 6.000 4.730 2.201 6.051 0.051 8 0 "[ . 1 . 2]" 1
103 1 11 U H1' 1 12 U H6 4.500 . 5.400 4.149 2.747 5.440 0.040 14 0 "[ . 1 . 2]" 1
104 1 11 U H2' 1 11 U H5 4.500 2.300 6.300 4.324 4.173 4.606 . 0 0 "[ . 1 . 2]" 1
105 1 11 U H2' 1 11 U H6 4.000 . 4.800 2.296 2.156 2.836 . 0 0 "[ . 1 . 2]" 1
106 1 11 U H2' 1 12 U H5 4.600 . 5.800 4.426 2.894 5.864 0.064 4 0 "[ . 1 . 2]" 1
107 1 11 U H2' 1 12 U H6 5.500 2.700 6.000 4.152 2.618 5.983 0.082 8 0 "[ . 1 . 2]" 1
108 1 11 U H3' 1 11 U H5 4.500 2.300 6.300 6.379 6.339 6.523 0.223 13 0 "[ . 1 . 2]" 1
109 1 11 U H3' 1 11 U H6 4.500 . 5.400 4.056 3.981 4.493 . 0 0 "[ . 1 . 2]" 1
110 1 11 U H5 1 12 U H5 5.000 . 6.000 5.638 4.043 6.031 0.031 11 0 "[ . 1 . 2]" 1
111 1 11 U H5'' 1 11 U H6 5.000 . 6.000 3.172 2.189 5.714 . 0 0 "[ . 1 . 2]" 1
112 1 11 U H6 1 12 U H5 5.000 . 6.000 4.589 3.510 5.940 . 0 0 "[ . 1 . 2]" 1
113 1 11 U H6 1 13 OMG H1' 6.000 3.000 7.000 6.738 4.747 7.051 0.051 12 0 "[ . 1 . 2]" 1
114 1 12 U H1' 1 13 OMG H3' 4.500 . 5.400 5.073 3.795 5.479 0.079 6 0 "[ . 1 . 2]" 1
115 1 12 U H1' 1 13 OMG H8 4.500 . 5.400 3.235 2.184 5.413 0.013 12 0 "[ . 1 . 2]" 1
116 1 12 U H2' 1 12 U H6 4.000 . 4.800 3.484 2.195 4.176 . 0 0 "[ . 1 . 2]" 1
117 1 12 U H3' 1 12 U H6 4.500 . 5.400 4.949 4.429 5.408 0.008 14 0 "[ . 1 . 2]" 1
118 1 13 OMG H1' 1 13 OMG H8 4.000 . 4.800 3.803 3.741 3.856 . 0 0 "[ . 1 . 2]" 1
119 1 13 OMG H1' 1 14 G H8 4.500 . 5.400 4.842 4.582 4.957 . 0 0 "[ . 1 . 2]" 1
120 1 13 OMG H2' 1 13 OMG H8 4.000 . 4.800 3.759 3.524 3.987 . 0 0 "[ . 1 . 2]" 1
121 1 13 OMG H2' 1 14 G H8 2.100 . 2.500 2.189 2.176 2.198 . 0 0 "[ . 1 . 2]" 1
122 1 13 OMG H3' 1 13 OMG H8 4.500 . 5.400 2.505 2.174 2.867 . 0 0 "[ . 1 . 2]" 1
123 1 13 OMG H8 1 14 G H8 6.000 3.000 7.000 4.720 3.600 5.221 . 0 0 "[ . 1 . 2]" 1
124 1 14 G H1' 1 14 G H8 4.000 . 4.800 3.751 3.714 3.796 . 0 0 "[ . 1 . 2]" 1
125 1 14 G H1' 1 15 C H6 4.500 . 5.400 4.968 4.930 5.009 . 0 0 "[ . 1 . 2]" 1
126 1 14 G H2' 1 14 G H8 4.000 . 4.800 3.853 3.691 3.995 . 0 0 "[ . 1 . 2]" 1
127 1 14 G H2' 1 15 C H1' 5.000 . 6.000 4.565 4.424 4.644 . 0 0 "[ . 1 . 2]" 1
128 1 14 G H2' 1 15 C H5 3.500 . 4.400 3.079 2.875 3.200 . 0 0 "[ . 1 . 2]" 1
129 1 14 G H2' 1 15 C H6 2.100 . 2.500 2.194 2.175 2.242 . 0 0 "[ . 1 . 2]" 1
130 1 14 G H3' 1 14 G H8 4.500 . 5.400 2.872 2.616 3.024 . 0 0 "[ . 1 . 2]" 1
131 1 14 G H3' 1 15 C H5 6.000 3.000 7.000 3.156 2.983 3.427 0.017 15 0 "[ . 1 . 2]" 1
132 1 14 G H8 1 15 C H6 6.000 3.000 7.000 5.251 4.814 5.619 . 0 0 "[ . 1 . 2]" 1
133 1 15 C H1' 1 15 C H6 4.000 . 4.800 3.669 3.659 3.679 . 0 0 "[ . 1 . 2]" 1
134 1 15 C H1' 1 16 U H6 4.500 . 5.400 4.417 4.086 4.701 . 0 0 "[ . 1 . 2]" 1
135 1 15 C H2' 1 15 C H6 4.000 . 4.800 3.503 3.424 3.587 . 0 0 "[ . 1 . 2]" 1
136 1 15 C H2' 1 16 U H1' 4.500 . 5.400 3.156 2.715 3.441 . 0 0 "[ . 1 . 2]" 1
137 1 15 C H2' 1 16 U H6 2.100 . 4.000 2.176 2.154 2.182 . 0 0 "[ . 1 . 2]" 1
138 1 15 C H3' 1 15 C H6 4.000 . 4.800 2.190 2.170 2.221 . 0 0 "[ . 1 . 2]" 1
139 1 15 C H3' 1 16 U H5 3.500 . 4.400 4.482 4.444 4.538 0.138 2 0 "[ . 1 . 2]" 1
140 1 15 C H5 1 16 U H5 4.600 . 5.600 3.923 3.189 4.645 . 0 0 "[ . 1 . 2]" 1
141 1 15 C H6 1 16 U H5 4.600 . 5.600 4.590 4.147 5.038 . 0 0 "[ . 1 . 2]" 1
142 1 15 C H6 1 16 U H6 4.600 . 5.600 3.881 3.451 4.310 . 0 0 "[ . 1 . 2]" 1
143 1 16 U H1' 1 16 U H6 4.000 . 4.800 3.288 3.177 3.380 . 0 0 "[ . 1 . 2]" 1
144 1 16 U H1' 1 17 A H8 4.500 . 5.400 4.892 4.624 5.213 . 0 0 "[ . 1 . 2]" 1
145 1 16 U H2' 1 16 U H6 4.000 . 4.800 4.311 4.204 4.464 . 0 0 "[ . 1 . 2]" 1
146 1 16 U H2' 1 17 A H1' 4.500 . 5.400 5.016 4.545 5.402 0.002 6 0 "[ . 1 . 2]" 1
147 1 16 U H2' 1 17 A H8 2.100 . 2.500 2.511 2.197 2.686 0.186 10 0 "[ . 1 . 2]" 1
148 1 16 U H6 1 17 A H8 6.000 3.000 7.000 5.302 4.573 5.812 . 0 0 "[ . 1 . 2]" 1
149 1 17 A H1' 1 17 A H8 4.000 . 4.800 3.648 3.595 3.816 . 0 0 "[ . 1 . 2]" 1
150 1 17 A H1' 1 18 A H8 4.500 . 5.400 5.147 4.891 5.328 . 0 0 "[ . 1 . 2]" 1
151 1 17 A H2' 1 17 A H8 4.000 . 4.800 4.190 3.709 4.336 . 0 0 "[ . 1 . 2]" 1
152 1 17 A H2' 1 18 A H1' 4.500 . 5.400 4.352 3.839 4.741 . 0 0 "[ . 1 . 2]" 1
153 1 17 A H2' 1 18 A H8 2.100 . 2.500 2.417 2.196 2.581 0.081 14 0 "[ . 1 . 2]" 1
154 1 17 A H3' 1 17 A H8 4.000 . 4.800 3.227 2.558 3.428 . 0 0 "[ . 1 . 2]" 1
155 1 17 A H8 1 18 A H8 6.000 3.000 7.000 5.957 4.958 6.378 . 0 0 "[ . 1 . 2]" 1
156 1 18 A H1' 1 18 A H8 4.000 . 4.800 3.782 3.706 3.831 . 0 0 "[ . 1 . 2]" 1
157 1 18 A H1' 1 19 OMG H8 4.500 . 5.400 4.904 4.812 5.008 . 0 0 "[ . 1 . 2]" 1
158 1 18 A H2' 1 18 A H8 4.000 . 4.800 3.847 3.679 4.100 . 0 0 "[ . 1 . 2]" 1
159 1 18 A H2' 1 19 OMG H1' 4.500 . 5.400 3.827 3.629 3.964 . 0 0 "[ . 1 . 2]" 1
160 1 18 A H2' 1 19 OMG H8 2.100 . 2.500 2.198 2.183 2.259 . 0 0 "[ . 1 . 2]" 1
161 1 18 A H3' 1 18 A H8 4.000 . 4.800 2.684 2.351 2.982 . 0 0 "[ . 1 . 2]" 1
162 1 18 A H8 1 19 OMG H8 4.600 . 5.800 4.619 4.008 5.305 . 0 0 "[ . 1 . 2]" 1
163 1 19 OMG H1' 1 19 OMG H8 4.000 . 4.800 3.724 3.680 3.752 . 0 0 "[ . 1 . 2]" 1
164 1 19 OMG H1' 1 20 A H8 4.500 . 5.400 5.191 4.898 5.346 . 0 0 "[ . 1 . 2]" 1
165 1 19 OMG H2' 1 19 OMG H8 4.000 . 4.800 3.977 3.863 4.147 . 0 0 "[ . 1 . 2]" 1
166 1 19 OMG H2' 1 20 A H1' 4.500 . 5.400 4.133 3.910 4.279 . 0 0 "[ . 1 . 2]" 1
167 1 19 OMG H2' 1 20 A H8 2.100 . 2.500 2.524 2.197 2.592 0.092 15 0 "[ . 1 . 2]" 1
168 1 19 OMG H8 1 20 A H8 4.600 . 5.800 5.081 4.365 5.431 . 0 0 "[ . 1 . 2]" 1
169 1 20 A H1' 1 20 A H8 4.000 . 4.800 3.790 3.716 3.822 . 0 0 "[ . 1 . 2]" 1
170 1 20 A H2' 1 20 A H8 4.000 . 4.800 3.701 3.534 4.091 . 0 0 "[ . 1 . 2]" 1
171 1 20 A H3' 1 20 A H8 4.000 . 4.800 2.866 2.530 3.202 . 0 0 "[ . 1 . 2]" 1
172 1 20 A H4' 1 20 A H8 5.000 3.000 6.000 4.319 4.067 4.522 . 0 0 "[ . 1 . 2]" 1
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