NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
651530 |
6vzc   |
30730 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6vzc
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 305
_Distance_constraint_stats_list.Viol_count 410
_Distance_constraint_stats_list.Viol_total 1481.210
_Distance_constraint_stats_list.Viol_max 1.840
_Distance_constraint_stats_list.Viol_rms 0.2765
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0759
_Distance_constraint_stats_list.Viol_average_violations_only 0.4516
_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 12.418 1.811 6 6 "[****.+- ]"
1 2 G 22.233 1.811 6 7 [***-.+**]
1 3 G 21.338 1.604 3 7 [**+-.***]
1 4 C 22.501 1.604 3 7 [*-+*.***]
1 5 U 30.574 1.286 8 8 [*-*****+]
1 6 G 27.187 1.767 6 8 [*-***+**]
1 7 U 3.972 0.312 6 0 "[ . ]"
1 8 G 2.207 0.312 6 0 "[ . ]"
1 9 A 11.770 1.062 3 6 "[*-+*. **]"
1 10 U 19.528 1.504 1 8 [+-******]
1 11 G 26.097 1.504 1 8 [+***-***]
1 12 C 14.465 1.431 7 8 [*****-+*]
1 13 U 0.297 0.049 3 0 "[ . ]"
1 14 U 2.524 0.228 2 0 "[ . ]"
1 15 C 0.297 0.049 3 0 "[ . ]"
1 16 G 2.524 0.228 2 0 "[ . ]"
1 17 G 8.656 1.304 3 6 "[**+ -* *]"
1 18 C 23.116 1.692 7 8 [****-*+*]
1 19 A 2.627 0.211 6 0 "[ . ]"
1 20 U 0.585 0.096 1 0 "[ . ]"
1 21 A 4.102 0.423 4 0 "[ . ]"
1 22 U 3.151 0.423 4 0 "[ . ]"
1 23 C 15.318 1.840 4 8 [***+***-]
1 24 A 2.793 0.197 4 0 "[ . ]"
1 25 G 9.415 1.384 8 5 "[ *-** +]"
1 26 C 7.961 1.384 8 5 "[ *-** +]"
1 27 C 7.944 1.819 3 5 "[**+*- ]"
1 28 C 7.944 1.819 3 5 "[**+*- ]"
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 1 G H8 4.500 . 4.500 3.717 3.712 3.720 . 0 0 "[ . ]" 1
2 1 1 G H1' 1 2 G H8 5.500 . 5.500 4.761 4.726 4.788 . 0 0 "[ . ]" 1
3 1 2 G H1' 1 2 G H8 4.500 . 4.500 3.687 3.684 3.692 . 0 0 "[ . ]" 1
4 1 2 G H1' 1 3 G H8 5.500 . 5.500 4.908 4.868 4.969 . 0 0 "[ . ]" 1
5 1 3 G H1' 1 3 G H8 4.500 . 4.500 3.727 3.723 3.731 . 0 0 "[ . ]" 1
6 1 3 G H1' 1 4 C H6 5.500 . 5.500 4.764 4.746 4.787 . 0 0 "[ . ]" 1
7 1 4 C H1' 1 4 C H6 4.500 . 4.500 3.560 3.557 3.563 . 0 0 "[ . ]" 1
8 1 4 C H1' 1 5 U H6 5.500 . 5.500 5.252 5.211 5.288 . 0 0 "[ . ]" 1
9 1 5 U H1' 1 5 U H6 4.500 . 4.500 3.667 3.663 3.671 . 0 0 "[ . ]" 1
10 1 5 U H1' 1 6 G H8 5.500 . 5.500 4.736 4.709 4.754 . 0 0 "[ . ]" 1
11 1 6 G H1' 1 6 G H8 4.500 . 4.500 3.731 3.728 3.734 . 0 0 "[ . ]" 1
12 1 6 G H1' 1 7 U H6 5.500 . 5.500 5.660 5.637 5.678 0.178 3 0 "[ . ]" 1
13 1 7 U H1' 1 7 U H6 4.500 . 4.500 3.662 3.659 3.664 . 0 0 "[ . ]" 1
14 1 7 U H1' 1 8 G H8 5.500 . 5.500 5.776 5.747 5.812 0.312 6 0 "[ . ]" 1
15 1 8 G H1' 1 8 G H8 5.500 . 5.500 3.868 3.865 3.871 . 0 0 "[ . ]" 1
16 1 8 G H1' 1 9 A H8 5.500 . 5.500 4.073 4.021 4.124 . 0 0 "[ . ]" 1
17 1 9 A H1' 1 9 A H8 5.500 . 5.500 3.712 3.700 3.724 . 0 0 "[ . ]" 1
18 1 9 A H1' 1 10 U H6 5.500 . 5.500 5.036 4.997 5.072 . 0 0 "[ . ]" 1
19 1 10 U H1' 1 10 U H6 4.500 . 4.500 3.650 3.648 3.654 . 0 0 "[ . ]" 1
20 1 10 U H1' 1 11 G H8 5.500 . 5.500 4.833 4.798 4.898 . 0 0 "[ . ]" 1
21 1 11 G H1' 1 11 G H8 4.500 . 4.500 3.756 3.749 3.762 . 0 0 "[ . ]" 1
22 1 11 G H1' 1 12 C H6 5.500 . 5.500 4.734 4.714 4.755 . 0 0 "[ . ]" 1
23 1 12 C H1' 1 12 C H6 4.500 . 4.500 3.553 3.551 3.556 . 0 0 "[ . ]" 1
24 1 12 C H1' 1 13 U H6 6.500 . 6.500 4.523 4.501 4.538 . 0 0 "[ . ]" 1
25 1 13 U H1' 1 13 U H6 4.500 . 4.500 3.555 3.548 3.561 . 0 0 "[ . ]" 1
26 1 13 U H1' 1 14 U H6 7.500 . 7.500 6.234 6.225 6.243 . 0 0 "[ . ]" 1
27 1 14 U H1' 1 14 U H6 4.500 . 4.500 3.722 3.721 3.724 . 0 0 "[ . ]" 1
28 1 14 U H6 1 16 G H1' 6.500 . 6.500 6.594 6.576 6.601 0.101 7 0 "[ . ]" 1
29 1 15 C H1' 1 15 C H6 4.500 . 4.500 3.712 3.711 3.713 . 0 0 "[ . ]" 1
30 1 16 G H1' 1 16 G H8 3.500 . 3.500 2.557 2.552 2.563 . 0 0 "[ . ]" 1
31 1 16 G H1' 1 17 G H8 6.500 . 6.500 6.327 6.304 6.344 . 0 0 "[ . ]" 1
32 1 17 G H1' 1 17 G H8 4.500 . 4.500 3.746 3.741 3.750 . 0 0 "[ . ]" 1
33 1 17 G H1' 1 18 C H6 5.500 . 5.500 4.781 4.761 4.794 . 0 0 "[ . ]" 1
34 1 18 C H1' 1 18 C H6 4.500 . 4.500 3.525 3.521 3.530 . 0 0 "[ . ]" 1
35 1 18 C H1' 1 19 A H8 5.500 . 5.500 4.621 4.616 4.628 . 0 0 "[ . ]" 1
36 1 19 A H1' 1 19 A H8 5.500 . 5.500 3.717 3.712 3.720 . 0 0 "[ . ]" 1
37 1 19 A H1' 1 20 U H6 5.500 . 5.500 4.824 4.803 4.849 . 0 0 "[ . ]" 1
38 1 20 U H1' 1 20 U H6 5.500 . 5.500 3.599 3.595 3.605 . 0 0 "[ . ]" 1
39 1 21 A H1' 1 21 A H8 4.500 . 4.500 3.784 3.776 3.794 . 0 0 "[ . ]" 1
40 1 21 A H1' 1 22 U H6 5.500 . 5.500 4.968 4.925 4.992 . 0 0 "[ . ]" 1
41 1 22 U H1' 1 22 U H6 4.500 . 4.500 3.569 3.561 3.574 . 0 0 "[ . ]" 1
42 1 22 U H1' 1 23 C H6 5.500 . 5.500 5.117 5.092 5.142 . 0 0 "[ . ]" 1
43 1 23 C H1' 1 23 C H6 4.500 . 4.500 3.569 3.565 3.573 . 0 0 "[ . ]" 1
44 1 23 C H1' 1 24 A H8 5.500 . 5.500 4.554 4.540 4.569 . 0 0 "[ . ]" 1
45 1 24 A H1' 1 24 A H8 4.500 . 4.500 3.703 3.700 3.705 . 0 0 "[ . ]" 1
46 1 24 A H1' 1 25 G H8 5.500 . 5.500 4.578 4.559 4.599 . 0 0 "[ . ]" 1
47 1 25 G H1' 1 25 G H8 4.500 . 4.500 3.723 3.720 3.728 . 0 0 "[ . ]" 1
48 1 25 G H1' 1 26 C H6 5.500 . 5.500 4.453 4.444 4.466 . 0 0 "[ . ]" 1
49 1 26 C H1' 1 26 C H6 4.500 . 4.500 3.519 3.516 3.521 . 0 0 "[ . ]" 1
50 1 26 C H1' 1 27 C H6 5.500 . 5.500 5.019 4.982 5.059 . 0 0 "[ . ]" 1
51 1 27 C H1' 1 27 C H6 4.500 . 4.500 3.551 3.548 3.554 . 0 0 "[ . ]" 1
52 1 27 C H1' 1 28 C H6 5.500 . 5.500 5.275 5.244 5.303 . 0 0 "[ . ]" 1
53 1 28 C H1' 1 28 C H6 4.500 . 4.500 3.648 3.641 3.654 . 0 0 "[ . ]" 1
54 1 8 G H1' 1 9 A H1' 6.500 . 6.500 6.366 6.335 6.412 . 0 0 "[ . ]" 1
55 1 9 A H1' 1 10 U H1' 6.500 . 6.500 5.235 5.209 5.263 . 0 0 "[ . ]" 1
56 1 10 U H1' 1 11 G H1' 6.500 . 6.500 5.575 5.543 5.619 . 0 0 "[ . ]" 1
57 1 11 G H1' 1 12 C H1' 5.500 . 5.500 5.604 5.594 5.632 0.132 7 0 "[ . ]" 1
58 1 19 A H1' 1 20 U H1' 5.500 . 5.500 5.573 5.540 5.596 0.096 1 0 "[ . ]" 1
59 1 21 A H1' 1 22 U H1' 6.500 . 6.500 6.219 6.165 6.244 . 0 0 "[ . ]" 1
60 1 22 U H1' 1 23 C H1' 6.500 . 6.500 6.266 6.257 6.281 . 0 0 "[ . ]" 1
61 1 23 C H1' 1 24 A H1' 5.500 . 5.500 5.548 5.534 5.566 0.066 3 0 "[ . ]" 1
62 1 25 G H1' 1 26 C H1' 5.500 . 5.500 5.658 5.648 5.676 0.176 8 0 "[ . ]" 1
63 1 1 G H8 1 2 G H8 6.500 . 6.500 4.641 4.606 4.695 . 0 0 "[ . ]" 1
64 1 2 G H8 1 3 G H8 6.500 . 6.500 5.035 4.998 5.083 . 0 0 "[ . ]" 1
65 1 3 G H8 1 4 C H6 6.500 . 6.500 5.008 4.981 5.023 . 0 0 "[ . ]" 1
66 1 4 C H6 1 5 U H6 6.500 . 6.500 5.405 5.378 5.445 . 0 0 "[ . ]" 1
67 1 5 U H6 1 6 G H8 6.500 . 6.500 3.951 3.911 3.982 . 0 0 "[ . ]" 1
68 1 6 G H8 1 7 U H6 6.500 . 6.500 5.535 5.493 5.569 . 0 0 "[ . ]" 1
69 1 7 U H6 1 8 G H8 6.500 . 6.500 5.020 4.960 5.077 . 0 0 "[ . ]" 1
70 1 8 G H8 1 9 A H8 6.500 . 6.500 5.406 5.374 5.431 . 0 0 "[ . ]" 1
71 1 9 A H8 1 10 U H6 6.500 . 6.500 5.559 5.488 5.651 . 0 0 "[ . ]" 1
72 1 10 U H6 1 11 G H8 6.500 . 6.500 4.110 4.069 4.158 . 0 0 "[ . ]" 1
73 1 11 G H8 1 12 C H6 6.500 . 6.500 4.642 4.621 4.664 . 0 0 "[ . ]" 1
74 1 12 C H6 1 13 U H6 6.500 . 6.500 4.306 4.286 4.331 . 0 0 "[ . ]" 1
75 1 14 U H6 1 16 G H8 7.500 . 7.500 4.869 4.853 4.881 . 0 0 "[ . ]" 1
76 1 17 G H8 1 18 C H6 6.500 . 6.500 4.975 4.927 5.033 . 0 0 "[ . ]" 1
77 1 18 C H6 1 19 A H8 6.500 . 6.500 4.939 4.904 4.966 . 0 0 "[ . ]" 1
78 1 19 A H8 1 20 U H6 6.500 . 6.500 5.057 5.034 5.114 . 0 0 "[ . ]" 1
79 1 21 A H8 1 22 U H6 6.500 . 6.500 4.102 4.024 4.147 . 0 0 "[ . ]" 1
80 1 22 U H6 1 23 C H6 6.500 . 6.500 5.095 5.065 5.136 . 0 0 "[ . ]" 1
81 1 23 C H6 1 24 A H8 6.500 . 6.500 4.518 4.498 4.538 . 0 0 "[ . ]" 1
82 1 24 A H8 1 25 G H8 6.500 . 6.500 4.839 4.816 4.858 . 0 0 "[ . ]" 1
83 1 25 G H8 1 26 C H6 6.500 . 6.500 4.630 4.604 4.647 . 0 0 "[ . ]" 1
84 1 26 C H6 1 27 C H6 6.500 . 6.500 5.294 5.253 5.326 . 0 0 "[ . ]" 1
85 1 27 C H6 1 28 C H6 6.500 . 6.500 5.139 5.098 5.164 . 0 0 "[ . ]" 1
86 1 1 G HO2' 1 2 G H8 4.500 . 4.500 4.655 4.085 4.874 0.374 2 0 "[ . ]" 1
87 1 1 G H4' 1 2 G H8 5.500 . 5.500 5.379 5.356 5.400 . 0 0 "[ . ]" 1
88 1 1 G H5' 1 2 G H8 6.500 . 6.500 6.453 6.402 6.503 0.003 3 0 "[ . ]" 1
89 1 1 G H5'' 1 2 G H8 6.500 . 6.500 6.144 6.039 6.279 . 0 0 "[ . ]" 1
90 1 2 G H4' 1 2 G H8 4.500 . 4.500 4.239 4.231 4.247 . 0 0 "[ . ]" 1
91 1 2 G H5' 1 2 G H8 3.500 . 3.500 3.487 3.480 3.494 . 0 0 "[ . ]" 1
92 1 2 G H5'' 1 2 G H8 4.500 . 4.500 4.136 4.128 4.153 . 0 0 "[ . ]" 1
93 1 2 G H4' 1 3 G H8 5.500 . 5.500 5.356 5.344 5.382 . 0 0 "[ . ]" 1
94 1 2 G H5' 1 3 G H8 6.500 . 6.500 6.637 6.618 6.666 0.166 6 0 "[ . ]" 1
95 1 2 G H5'' 1 3 G H8 6.500 . 6.500 5.910 5.887 5.924 . 0 0 "[ . ]" 1
96 1 3 G H4' 1 3 G H8 4.500 . 4.500 4.155 4.144 4.165 . 0 0 "[ . ]" 1
97 1 3 G H5' 1 3 G H8 3.500 . 3.500 3.404 3.390 3.420 . 0 0 "[ . ]" 1
98 1 3 G H5'' 1 3 G H8 4.500 . 4.500 3.970 3.959 3.988 . 0 0 "[ . ]" 1
99 1 3 G HO2' 1 4 C H6 4.500 . 4.500 4.442 3.819 4.707 0.207 1 0 "[ . ]" 1
100 1 3 G H3' 1 4 C H6 4.500 . 4.500 3.156 3.144 3.168 . 0 0 "[ . ]" 1
101 1 3 G H4' 1 4 C H6 5.500 . 5.500 5.380 5.370 5.393 . 0 0 "[ . ]" 1
102 1 3 G H5' 1 4 C H6 6.500 . 6.500 6.738 6.731 6.748 0.248 8 0 "[ . ]" 1
103 1 3 G H5'' 1 4 C H6 6.500 . 6.500 6.076 6.068 6.087 . 0 0 "[ . ]" 1
104 1 4 C H3' 1 4 C H6 2.500 . 2.500 2.699 2.687 2.714 0.214 4 0 "[ . ]" 1
105 1 4 C H4' 1 4 C H6 4.500 . 4.500 3.952 3.941 3.962 . 0 0 "[ . ]" 1
106 1 4 C H5' 1 4 C H6 3.500 . 3.500 3.310 3.292 3.324 . 0 0 "[ . ]" 1
107 1 4 C H5'' 1 4 C H6 4.500 . 4.500 3.935 3.917 3.957 . 0 0 "[ . ]" 1
108 1 4 C HO2' 1 5 U H6 4.500 . 4.500 4.702 4.108 4.970 0.470 8 0 "[ . ]" 1
109 1 4 C H3' 1 5 U H6 4.500 . 4.500 3.515 3.493 3.536 . 0 0 "[ . ]" 1
110 1 4 C H4' 1 5 U H6 5.500 . 5.500 5.741 5.728 5.752 0.252 5 0 "[ . ]" 1
111 1 4 C H5'' 1 5 U H6 6.500 . 6.500 6.407 6.381 6.425 . 0 0 "[ . ]" 1
112 1 5 U H6 1 5 U HO2' 3.500 . 3.500 4.691 4.672 4.725 1.225 6 8 [*****+-*] 1
113 1 5 U H4' 1 5 U H6 4.500 . 4.500 3.932 3.927 3.936 . 0 0 "[ . ]" 1
114 1 5 U H5' 1 5 U H6 3.500 . 3.500 3.543 3.537 3.548 0.048 5 0 "[ . ]" 1
115 1 5 U H5'' 1 5 U H6 4.500 . 4.500 3.878 3.865 3.885 . 0 0 "[ . ]" 1
116 1 5 U HO2' 1 6 G H8 4.500 . 4.500 4.806 4.739 4.883 0.383 7 0 "[ . ]" 1
117 1 5 U H5'' 1 6 G H8 6.500 . 6.500 6.035 6.007 6.055 . 0 0 "[ . ]" 1
118 1 6 G H8 1 6 G HO2' 3.500 . 3.500 5.197 5.160 5.267 1.767 6 8 [***-*+**] 1
119 1 6 G H4' 1 6 G H8 4.500 . 4.500 4.433 4.414 4.448 . 0 0 "[ . ]" 1
120 1 6 G H5'' 1 6 G H8 4.500 . 4.500 4.566 4.534 4.595 0.095 7 0 "[ . ]" 1
121 1 9 A HO2' 1 10 U H6 4.500 . 4.500 4.713 3.756 4.961 0.461 8 0 "[ . ]" 1
122 1 9 A H3' 1 10 U H6 4.500 . 4.500 3.442 3.415 3.479 . 0 0 "[ . ]" 1
123 1 9 A H4' 1 10 U H6 5.500 . 5.500 5.655 5.633 5.679 0.179 4 0 "[ . ]" 1
124 1 10 U HO2' 1 11 G H8 4.500 . 4.500 4.547 3.875 4.910 0.410 6 0 "[ . ]" 1
125 1 10 U H4' 1 11 G H8 5.500 . 5.500 5.333 5.317 5.358 . 0 0 "[ . ]" 1
126 1 10 U H5' 1 11 G H8 6.500 . 6.500 6.543 6.528 6.555 0.055 4 0 "[ . ]" 1
127 1 10 U H5'' 1 11 G H8 6.500 . 6.500 5.857 5.834 5.880 . 0 0 "[ . ]" 1
128 1 11 G H8 1 11 G HO2' 4.500 . 4.500 4.929 4.921 4.937 0.437 7 0 "[ . ]" 1
129 1 11 G H4' 1 11 G H8 4.500 . 4.500 4.158 4.147 4.172 . 0 0 "[ . ]" 1
130 1 11 G H5'' 1 11 G H8 4.500 . 4.500 4.012 3.985 4.035 . 0 0 "[ . ]" 1
131 1 11 G HO2' 1 12 C H6 4.500 . 4.500 4.685 4.660 4.711 0.211 6 0 "[ . ]" 1
132 1 11 G H3' 1 12 C H6 4.500 . 4.500 2.938 2.924 2.952 . 0 0 "[ . ]" 1
133 1 12 C H3' 1 12 C H6 2.500 . 2.500 2.617 2.605 2.625 0.125 3 0 "[ . ]" 1
134 1 16 G H3' 1 16 G H8 6.500 . 6.500 5.164 5.157 5.169 . 0 0 "[ . ]" 1
135 1 16 G HO2' 1 17 G H8 6.500 . 6.500 5.954 5.611 6.204 . 0 0 "[ . ]" 1
136 1 17 G H3' 1 18 C H6 4.500 . 4.500 3.173 3.149 3.195 . 0 0 "[ . ]" 1
137 1 17 G H4' 1 18 C H6 5.500 . 5.500 5.368 5.347 5.386 . 0 0 "[ . ]" 1
138 1 17 G H5' 1 18 C H6 6.500 . 6.500 6.821 6.805 6.840 0.340 3 0 "[ . ]" 1
139 1 17 G H5'' 1 18 C H6 6.500 . 6.500 5.943 5.931 5.958 . 0 0 "[ . ]" 1
140 1 18 C H6 1 18 C HO2' 3.500 . 3.500 4.947 4.807 5.192 1.692 7 8 [****-*+*] 1
141 1 18 C H3' 1 18 C H6 2.500 . 2.500 2.658 2.650 2.666 0.166 7 0 "[ . ]" 1
142 1 18 C H4' 1 18 C H6 4.500 . 4.500 3.910 3.901 3.921 . 0 0 "[ . ]" 1
143 1 18 C H5' 1 18 C H6 3.500 . 3.500 3.239 3.226 3.256 . 0 0 "[ . ]" 1
144 1 18 C H5'' 1 18 C H6 4.500 . 4.500 3.827 3.812 3.842 . 0 0 "[ . ]" 1
145 1 18 C HO2' 1 19 A H8 4.500 . 4.500 4.299 3.900 4.510 0.010 5 0 "[ . ]" 1
146 1 18 C H3' 1 19 A H8 4.500 . 4.500 3.142 3.127 3.155 . 0 0 "[ . ]" 1
147 1 18 C H4' 1 19 A H8 5.500 . 5.500 5.330 5.313 5.341 . 0 0 "[ . ]" 1
148 1 18 C H5' 1 19 A H8 6.500 . 6.500 6.701 6.686 6.711 0.211 6 0 "[ . ]" 1
149 1 18 C H5'' 1 19 A H8 6.500 . 6.500 6.037 6.003 6.046 . 0 0 "[ . ]" 1
150 1 23 C H6 1 23 C HO2' 3.500 . 3.500 5.208 4.857 5.340 1.840 4 8 [***+***-] 1
151 1 23 C H3' 1 23 C H6 2.500 . 2.500 2.540 2.519 2.547 0.047 2 0 "[ . ]" 1
152 1 23 C H4' 1 23 C H6 4.500 . 4.500 3.885 3.870 3.898 . 0 0 "[ . ]" 1
153 1 23 C H5' 1 23 C H6 3.500 . 3.500 3.258 3.240 3.272 . 0 0 "[ . ]" 1
154 1 23 C H5'' 1 23 C H6 4.500 . 4.500 3.821 3.797 3.833 . 0 0 "[ . ]" 1
155 1 23 C HO2' 1 24 A H8 4.500 . 4.500 3.931 3.668 4.499 . 0 0 "[ . ]" 1
156 1 23 C H3' 1 24 A H8 4.500 . 4.500 3.057 3.040 3.071 . 0 0 "[ . ]" 1
157 1 23 C H4' 1 24 A H8 5.500 . 5.500 5.392 5.382 5.409 . 0 0 "[ . ]" 1
158 1 23 C H5' 1 24 A H8 6.500 . 6.500 6.620 6.605 6.628 0.128 6 0 "[ . ]" 1
159 1 23 C H5'' 1 24 A H8 6.500 . 6.500 6.084 6.068 6.104 . 0 0 "[ . ]" 1
160 1 24 A H3' 1 25 G H8 4.500 . 4.500 3.101 3.082 3.121 . 0 0 "[ . ]" 1
161 1 24 A H4' 1 25 G H8 5.500 . 5.500 5.375 5.367 5.385 . 0 0 "[ . ]" 1
162 1 24 A H5' 1 25 G H8 6.500 . 6.500 6.682 6.667 6.697 0.197 4 0 "[ . ]" 1
163 1 24 A H5'' 1 25 G H8 6.500 . 6.500 6.105 6.091 6.125 . 0 0 "[ . ]" 1
164 1 25 G H4' 1 25 G H8 4.500 . 4.500 4.289 4.283 4.295 . 0 0 "[ . ]" 1
165 1 25 G H5'' 1 25 G H8 4.500 . 4.500 4.267 4.255 4.281 . 0 0 "[ . ]" 1
166 1 25 G HO2' 1 26 C H6 4.500 . 4.500 4.201 3.591 4.603 0.103 8 0 "[ . ]" 1
167 1 25 G H3' 1 26 C H6 4.500 . 4.500 3.067 3.051 3.086 . 0 0 "[ . ]" 1
168 1 25 G H4' 1 26 C H6 5.500 . 5.500 5.318 5.312 5.324 . 0 0 "[ . ]" 1
169 1 25 G H5' 1 26 C H6 6.500 . 6.500 6.608 6.599 6.623 0.123 5 0 "[ . ]" 1
170 1 25 G H5'' 1 26 C H6 6.500 . 6.500 6.083 6.070 6.098 . 0 0 "[ . ]" 1
171 1 1 G H1' 1 1 G HO2' 4.500 . 4.500 2.525 1.986 2.755 . 0 0 "[ . ]" 1
172 1 1 G H1' 1 1 G H4' 5.500 . 5.500 3.421 3.406 3.442 . 0 0 "[ . ]" 1
173 1 1 G H1' 1 1 G H5' 5.500 . 5.500 4.514 4.466 4.557 . 0 0 "[ . ]" 1
174 1 1 G H1' 1 1 G H5'' 5.500 . 5.500 5.188 5.157 5.202 . 0 0 "[ . ]" 1
175 1 1 G HO2' 1 2 G H1' 4.500 . 4.500 5.808 4.624 6.311 1.811 6 6 "[****.+- ]" 1
176 1 2 G H1' 1 2 G HO2' 4.500 . 4.500 2.384 2.015 3.062 . 0 0 "[ . ]" 1
177 1 2 G H1' 1 2 G H3' 4.500 . 4.500 3.828 3.822 3.833 . 0 0 "[ . ]" 1
178 1 2 G H1' 1 2 G H4' 5.500 . 5.500 3.440 3.431 3.447 . 0 0 "[ . ]" 1
179 1 2 G H1' 1 2 G H5' 5.500 . 5.500 4.610 4.606 4.615 . 0 0 "[ . ]" 1
180 1 2 G H1' 1 2 G H5'' 5.500 . 5.500 5.220 5.216 5.225 . 0 0 "[ . ]" 1
181 1 2 G HO2' 1 3 G H1' 4.500 . 4.500 5.566 4.311 6.088 1.588 8 7 [***-.**+] 1
182 1 3 G H1' 1 3 G HO2' 4.500 . 4.500 2.582 2.041 2.850 . 0 0 "[ . ]" 1
183 1 3 G H1' 1 3 G H3' 4.500 . 4.500 3.819 3.812 3.823 . 0 0 "[ . ]" 1
184 1 3 G H1' 1 3 G H4' 5.500 . 5.500 3.460 3.450 3.470 . 0 0 "[ . ]" 1
185 1 3 G H1' 1 3 G H5' 5.500 . 5.500 4.584 4.580 4.588 . 0 0 "[ . ]" 1
186 1 3 G H1' 1 3 G H5'' 5.500 . 5.500 5.213 5.209 5.217 . 0 0 "[ . ]" 1
187 1 3 G HO2' 1 4 C H1' 4.500 . 4.500 5.596 4.439 6.104 1.604 3 6 "[*-+*.** ]" 1
188 1 4 C H1' 1 4 C HO2' 4.500 . 4.500 2.478 2.007 2.701 . 0 0 "[ . ]" 1
189 1 4 C H1' 1 4 C H3' 4.500 . 4.500 3.842 3.838 3.847 . 0 0 "[ . ]" 1
190 1 4 C H1' 1 4 C H4' 5.500 . 5.500 3.360 3.347 3.366 . 0 0 "[ . ]" 1
191 1 4 C H1' 1 4 C H5' 5.500 . 5.500 4.581 4.577 4.584 . 0 0 "[ . ]" 1
192 1 4 C H1' 1 4 C H5'' 5.500 . 5.500 5.187 5.182 5.190 . 0 0 "[ . ]" 1
193 1 4 C HO2' 1 5 U H1' 4.500 . 4.500 5.103 4.065 5.786 1.286 8 4 "[**- . +]" 1
194 1 5 U H1' 1 5 U HO2' 4.500 . 4.500 2.508 2.252 2.824 . 0 0 "[ . ]" 1
195 1 5 U H1' 1 5 U H3' 4.500 . 4.500 3.886 3.883 3.889 . 0 0 "[ . ]" 1
196 1 5 U H1' 1 5 U H4' 5.500 . 5.500 3.341 3.336 3.352 . 0 0 "[ . ]" 1
197 1 5 U H1' 1 5 U H5' 5.500 . 5.500 4.591 4.587 4.596 . 0 0 "[ . ]" 1
198 1 5 U H1' 1 5 U H5'' 5.500 . 5.500 5.181 5.179 5.187 . 0 0 "[ . ]" 1
199 1 5 U HO2' 1 6 G H1' 4.500 . 4.500 5.608 5.548 5.666 1.166 6 8 [*-***+**] 1
200 1 6 G H1' 1 6 G HO2' 4.500 . 4.500 2.461 2.093 2.711 . 0 0 "[ . ]" 1
201 1 6 G H1' 1 6 G H3' 4.500 . 4.500 3.892 3.882 3.898 . 0 0 "[ . ]" 1
202 1 6 G H1' 1 6 G H4' 5.500 . 5.500 3.118 3.095 3.131 . 0 0 "[ . ]" 1
203 1 6 G H1' 1 6 G H5' 5.500 . 5.500 4.501 4.487 4.507 . 0 0 "[ . ]" 1
204 1 6 G H1' 1 6 G H5'' 5.500 . 5.500 5.070 5.054 5.078 . 0 0 "[ . ]" 1
205 1 9 A HO2' 1 10 U H1' 4.500 . 4.500 5.139 3.799 5.562 1.062 3 6 "[*-+*. **]" 1
206 1 10 U H1' 1 10 U HO2' 4.500 . 4.500 2.458 1.988 2.973 . 0 0 "[ . ]" 1
207 1 10 U H1' 1 10 U H3' 4.500 . 4.500 3.839 3.837 3.846 . 0 0 "[ . ]" 1
208 1 10 U H1' 1 10 U H4' 5.500 . 5.500 3.399 3.386 3.409 . 0 0 "[ . ]" 1
209 1 10 U H1' 1 10 U H5' 5.500 . 5.500 4.617 4.604 4.624 . 0 0 "[ . ]" 1
210 1 10 U H1' 1 10 U H5'' 5.500 . 5.500 5.218 5.212 5.222 . 0 0 "[ . ]" 1
211 1 10 U HO2' 1 11 G H1' 4.500 . 4.500 5.267 4.254 6.004 1.504 1 5 "[+* *-* ]" 1
212 1 11 G H1' 1 11 G HO2' 4.500 . 4.500 2.470 2.386 2.532 . 0 0 "[ . ]" 1
213 1 11 G H1' 1 11 G H3' 4.500 . 4.500 3.843 3.839 3.845 . 0 0 "[ . ]" 1
214 1 11 G H1' 1 11 G H4' 5.500 . 5.500 3.426 3.417 3.434 . 0 0 "[ . ]" 1
215 1 11 G H1' 1 11 G H5' 5.500 . 5.500 4.622 4.619 4.627 . 0 0 "[ . ]" 1
216 1 11 G H1' 1 11 G H5'' 5.500 . 5.500 5.224 5.222 5.229 . 0 0 "[ . ]" 1
217 1 11 G HO2' 1 12 C H1' 4.500 . 4.500 5.901 5.868 5.931 1.431 7 8 [*****-+*] 1
218 1 12 C H1' 1 12 C HO2' 4.500 . 4.500 2.328 2.119 2.638 . 0 0 "[ . ]" 1
219 1 12 C H1' 1 12 C H3' 4.500 . 4.500 3.837 3.834 3.840 . 0 0 "[ . ]" 1
220 1 12 C H1' 1 12 C H4' 5.500 . 5.500 3.370 3.365 3.375 . 0 0 "[ . ]" 1
221 1 12 C H1' 1 12 C H5' 5.500 . 5.500 4.579 4.576 4.585 . 0 0 "[ . ]" 1
222 1 12 C H1' 1 12 C H5'' 5.500 . 5.500 5.191 5.186 5.197 . 0 0 "[ . ]" 1
223 1 17 G HO2' 1 18 C H1' 4.500 . 4.500 5.261 4.826 5.804 1.304 3 6 "[**+ -* *]" 1
224 1 18 C H1' 1 18 C HO2' 4.500 . 4.500 2.102 2.009 2.419 . 0 0 "[ . ]" 1
225 1 18 C H1' 1 18 C H3' 4.500 . 4.500 3.810 3.807 3.813 . 0 0 "[ . ]" 1
226 1 18 C H1' 1 18 C H4' 5.500 . 5.500 3.449 3.440 3.457 . 0 0 "[ . ]" 1
227 1 18 C H1' 1 18 C H5' 5.500 . 5.500 4.630 4.620 4.639 . 0 0 "[ . ]" 1
228 1 18 C H1' 1 18 C H5'' 5.500 . 5.500 5.223 5.219 5.230 . 0 0 "[ . ]" 1
229 1 23 C H1' 1 23 C HO2' 4.500 . 4.500 2.651 1.992 2.999 . 0 0 "[ . ]" 1
230 1 23 C H1' 1 23 C H3' 4.500 . 4.500 3.829 3.824 3.834 . 0 0 "[ . ]" 1
231 1 23 C H1' 1 23 C H4' 5.500 . 5.500 3.399 3.393 3.410 . 0 0 "[ . ]" 1
232 1 23 C H1' 1 23 C H5' 5.500 . 5.500 4.592 4.582 4.604 . 0 0 "[ . ]" 1
233 1 23 C H1' 1 23 C H5'' 5.500 . 5.500 5.206 5.200 5.214 . 0 0 "[ . ]" 1
234 1 24 A H1' 1 24 A HO2' 4.500 . 4.500 2.485 1.954 2.944 . 0 0 "[ . ]" 1
235 1 24 A H1' 1 24 A H3' 4.500 . 4.500 3.826 3.820 3.833 . 0 0 "[ . ]" 1
236 1 24 A H1' 1 24 A H4' 5.500 . 5.500 3.360 3.347 3.372 . 0 0 "[ . ]" 1
237 1 24 A H1' 1 24 A H5' 5.500 . 5.500 4.582 4.579 4.589 . 0 0 "[ . ]" 1
238 1 24 A H1' 1 24 A H5'' 5.500 . 5.500 5.186 5.182 5.191 . 0 0 "[ . ]" 1
239 1 25 G H1' 1 25 G HO2' 4.500 . 4.500 2.591 1.965 3.312 . 0 0 "[ . ]" 1
240 1 25 G H1' 1 25 G H3' 4.500 . 4.500 3.847 3.844 3.850 . 0 0 "[ . ]" 1
241 1 25 G H1' 1 25 G H4' 5.500 . 5.500 3.343 3.334 3.353 . 0 0 "[ . ]" 1
242 1 25 G H1' 1 25 G H5' 5.500 . 5.500 4.578 4.572 4.587 . 0 0 "[ . ]" 1
243 1 25 G H1' 1 25 G H5'' 5.500 . 5.500 5.181 5.178 5.186 . 0 0 "[ . ]" 1
244 1 25 G HO2' 1 26 C H1' 4.500 . 4.500 5.099 4.095 5.884 1.384 8 5 "[ *-** +]" 1
245 1 26 C H1' 1 26 C HO2' 4.500 . 4.500 2.616 2.031 2.980 . 0 0 "[ . ]" 1
246 1 26 C H1' 1 26 C H3' 4.500 . 4.500 3.874 3.872 3.876 . 0 0 "[ . ]" 1
247 1 26 C H1' 1 26 C H4' 5.500 . 5.500 3.201 3.192 3.209 . 0 0 "[ . ]" 1
248 1 26 C H1' 1 26 C H5' 5.500 . 5.500 4.532 4.528 4.535 . 0 0 "[ . ]" 1
249 1 26 C H1' 1 26 C H5'' 5.500 . 5.500 5.112 5.108 5.115 . 0 0 "[ . ]" 1
250 1 27 C H1' 1 27 C HO2' 4.500 . 4.500 3.052 2.607 3.452 . 0 0 "[ . ]" 1
251 1 27 C H1' 1 27 C H3' 4.500 . 4.500 3.813 3.806 3.821 . 0 0 "[ . ]" 1
252 1 27 C H1' 1 27 C H4' 5.500 . 5.500 3.416 3.409 3.424 . 0 0 "[ . ]" 1
253 1 27 C H1' 1 27 C H5' 5.500 . 5.500 4.609 4.601 4.616 . 0 0 "[ . ]" 1
254 1 27 C H1' 1 27 C H5'' 5.500 . 5.500 5.212 5.210 5.214 . 0 0 "[ . ]" 1
255 1 27 C HO2' 1 28 C H1' 4.500 . 4.500 5.493 4.642 6.319 1.819 3 5 "[**+*- ]" 1
256 1 28 C H1' 1 28 C HO2' 4.500 . 4.500 3.018 2.541 3.377 . 0 0 "[ . ]" 1
257 1 28 C H1' 1 28 C H3' 4.500 . 4.500 3.885 3.880 3.892 . 0 0 "[ . ]" 1
258 1 28 C H1' 1 28 C H4' 5.500 . 5.500 3.207 3.196 3.219 . 0 0 "[ . ]" 1
259 1 28 C H1' 1 28 C H5' 5.500 . 5.500 4.541 4.535 4.547 . 0 0 "[ . ]" 1
260 1 28 C H1' 1 28 C H5'' 5.500 . 5.500 5.124 5.116 5.131 . 0 0 "[ . ]" 1
261 1 9 A H2 1 19 A H2 5.500 . 5.500 4.371 4.292 4.412 . 0 0 "[ . ]" 1
262 1 9 A H2 1 21 A H2 7.500 . 7.500 5.092 4.981 5.216 . 0 0 "[ . ]" 1
263 1 9 A H2 1 21 A H1' 5.500 . 5.500 5.619 5.593 5.650 0.150 4 0 "[ . ]" 1
264 1 9 A H2 1 10 U H6 5.500 . 5.500 5.385 5.352 5.410 . 0 0 "[ . ]" 1
265 1 9 A H2 1 10 U H5 5.500 . 5.500 5.644 5.623 5.678 0.178 8 0 "[ . ]" 1
266 1 9 A H2 1 10 U H1' 5.500 . 5.500 3.867 3.845 3.911 . 0 0 "[ . ]" 1
267 1 11 G H1' 1 19 A H2 5.500 . 5.500 5.553 5.540 5.565 0.065 6 0 "[ . ]" 1
268 1 19 A H1' 1 19 A H2 6.500 . 6.500 4.761 4.756 4.771 . 0 0 "[ . ]" 1
269 1 19 A H2 1 20 U H1' 6.500 . 6.500 3.914 3.905 3.934 . 0 0 "[ . ]" 1
270 1 8 G H1' 1 21 A H2 6.500 . 6.500 6.067 6.005 6.125 . 0 0 "[ . ]" 1
271 1 9 A H1' 1 21 A H2 6.500 . 6.500 3.575 3.481 3.664 . 0 0 "[ . ]" 1
272 1 21 A H2 1 22 U H1' 4.500 . 4.500 4.894 4.865 4.923 0.423 4 0 "[ . ]" 1
273 1 5 U H1' 1 24 A H2 6.500 . 6.500 5.638 5.591 5.681 . 0 0 "[ . ]" 1
274 1 6 G H1' 1 24 A H2 5.500 . 5.500 4.454 4.391 4.522 . 0 0 "[ . ]" 1
275 1 6 G H8 1 24 A H2 6.500 . 6.500 6.140 6.095 6.182 . 0 0 "[ . ]" 1
276 1 24 A H1' 1 24 A H2 6.500 . 6.500 4.780 4.775 4.782 . 0 0 "[ . ]" 1
277 1 24 A H2 1 25 G H8 6.500 . 6.500 4.917 4.878 4.963 . 0 0 "[ . ]" 1
278 1 24 A H2 1 25 G H1' 5.500 . 5.500 3.686 3.636 3.745 . 0 0 "[ . ]" 1
279 1 3 G H8 1 4 C H5 5.500 . 5.500 3.997 3.977 4.016 . 0 0 "[ . ]" 1
280 1 4 C H5 1 5 U H5 5.500 . 5.500 4.529 4.487 4.580 . 0 0 "[ . ]" 1
281 1 4 C H6 1 5 U H5 5.500 . 5.500 4.611 4.587 4.655 . 0 0 "[ . ]" 1
282 1 5 U H5 1 6 G H8 5.500 . 5.500 4.707 4.660 4.750 . 0 0 "[ . ]" 1
283 1 6 G H8 1 7 U H5 6.500 . 6.500 4.897 4.864 4.933 . 0 0 "[ . ]" 1
284 1 6 G H1' 1 7 U H5 6.500 . 6.500 6.561 6.542 6.576 0.076 1 0 "[ . ]" 1
285 1 7 U H1' 1 7 U H5 6.500 . 6.500 5.401 5.397 5.402 . 0 0 "[ . ]" 1
286 1 7 U H5 1 8 G H8 7.500 . 7.500 5.715 5.657 5.774 . 0 0 "[ . ]" 1
287 1 9 A H8 1 10 U H5 5.500 . 5.500 4.945 4.856 5.032 . 0 0 "[ . ]" 1
288 1 11 G H8 1 12 C H5 5.500 . 5.500 3.644 3.625 3.669 . 0 0 "[ . ]" 1
289 1 11 G H1' 1 12 C H5 5.500 . 5.500 5.482 5.466 5.505 0.005 5 0 "[ . ]" 1
290 1 12 C H6 1 13 U H5 6.500 . 6.500 3.473 3.435 3.508 . 0 0 "[ . ]" 1
291 1 12 C H5 1 13 U H5 6.500 . 6.500 3.131 3.106 3.152 . 0 0 "[ . ]" 1
292 1 12 C H5 1 13 U H6 5.500 . 5.500 5.065 5.051 5.078 . 0 0 "[ . ]" 1
293 1 13 U H6 1 15 C H5 6.500 . 6.500 4.988 4.943 5.046 . 0 0 "[ . ]" 1
294 1 13 U H1' 1 15 C H5 6.500 . 6.500 6.537 6.526 6.549 0.049 3 0 "[ . ]" 1
295 1 14 U H5 1 16 G H1' 6.500 . 6.500 6.721 6.713 6.728 0.228 2 0 "[ . ]" 1
296 1 17 G H8 1 18 C H5 5.500 . 5.500 4.315 4.273 4.345 . 0 0 "[ . ]" 1
297 1 19 A H8 1 20 U H5 5.500 . 5.500 4.030 4.001 4.083 . 0 0 "[ . ]" 1
298 1 19 A H1' 1 20 U H5 5.500 . 5.500 5.451 5.419 5.483 . 0 0 "[ . ]" 1
299 1 20 U H5 1 21 A H8 7.500 . 7.500 5.973 5.874 6.043 . 0 0 "[ . ]" 1
300 1 21 A H8 1 22 U H5 5.500 . 5.500 3.173 3.101 3.229 . 0 0 "[ . ]" 1
301 1 21 A H1' 1 22 U H5 6.500 . 6.500 5.792 5.725 5.850 . 0 0 "[ . ]" 1
302 1 22 U H1' 1 22 U H5 6.500 . 6.500 5.327 5.320 5.331 . 0 0 "[ . ]" 1
303 1 22 U H1' 1 23 C H5 6.500 . 6.500 5.757 5.734 5.777 . 0 0 "[ . ]" 1
304 1 22 U H5 1 23 C H6 7.500 . 7.500 6.074 6.043 6.133 . 0 0 "[ . ]" 1
305 1 25 G H8 1 26 C H5 5.500 . 5.500 3.747 3.726 3.793 . 0 0 "[ . ]" 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 68
_Distance_constraint_stats_list.Viol_count 176
_Distance_constraint_stats_list.Viol_total 245.179
_Distance_constraint_stats_list.Viol_max 1.661
_Distance_constraint_stats_list.Viol_rms 0.2246
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0563
_Distance_constraint_stats_list.Viol_average_violations_only 0.1741
_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 G 0.007 0.005 4 0 "[ . ]"
1 2 G 1.302 0.176 8 0 "[ . ]"
1 3 G 0.000 0.000 . 0 "[ . ]"
1 4 C 0.000 0.000 . 0 "[ . ]"
1 5 U 1.220 0.096 7 0 "[ . ]"
1 6 G 0.000 0.000 . 0 "[ . ]"
1 7 U 2.700 0.178 5 0 "[ . ]"
1 8 G 1.186 0.135 4 0 "[ . ]"
1 9 A 0.000 0.000 . 0 "[ . ]"
1 10 U 0.290 0.055 6 0 "[ . ]"
1 11 G 1.334 0.082 3 0 "[ . ]"
1 12 C 0.519 0.096 6 0 "[ . ]"
1 13 U 14.856 1.661 4 8 [***+-***]
1 14 U 7.234 0.942 7 8 [-*****+*]
1 16 G 22.090 1.661 4 8 [-**+****]
1 17 G 0.519 0.096 6 0 "[ . ]"
1 18 C 1.334 0.082 3 0 "[ . ]"
1 19 A 0.290 0.055 6 0 "[ . ]"
1 20 U 0.000 0.000 . 0 "[ . ]"
1 21 A 1.186 0.135 4 0 "[ . ]"
1 22 U 2.700 0.178 5 0 "[ . ]"
1 23 C 0.000 0.000 . 0 "[ . ]"
1 24 A 1.220 0.096 7 0 "[ . ]"
1 25 G 0.000 0.000 . 0 "[ . ]"
1 26 C 0.000 0.000 . 0 "[ . ]"
1 27 C 1.302 0.176 8 0 "[ . ]"
1 28 C 0.007 0.005 4 0 "[ . ]"
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 O6 1 28 C H41 2.000 . 2.500 2.124 2.102 2.152 . 0 0 "[ . ]" 2
2 1 1 G O6 1 28 C N4 3.000 2.500 3.500 3.017 2.994 3.030 . 0 0 "[ . ]" 2
3 1 1 G H1 1 28 C N3 2.000 . 2.500 2.384 2.365 2.394 . 0 0 "[ . ]" 2
4 1 1 G N1 1 28 C N3 3.000 2.500 3.500 3.237 3.217 3.255 . 0 0 "[ . ]" 2
5 1 1 G H21 1 28 C O2 2.000 . 2.500 2.482 2.454 2.505 0.005 4 0 "[ . ]" 2
6 1 1 G N2 1 28 C O2 3.000 2.500 3.500 3.394 3.364 3.425 . 0 0 "[ . ]" 2
7 1 2 G O6 1 27 C H41 2.000 . 2.500 2.654 2.630 2.676 0.176 8 0 "[ . ]" 2
8 1 2 G O6 1 27 C N4 3.000 2.500 3.500 3.503 3.476 3.529 0.029 3 0 "[ . ]" 2
9 1 2 G H1 1 27 C N3 2.000 . 2.500 2.124 2.102 2.136 . 0 0 "[ . ]" 2
10 1 2 G N1 1 27 C N3 3.000 2.500 3.500 3.098 3.073 3.109 . 0 0 "[ . ]" 2
11 1 2 G H21 1 27 C O2 2.000 . 2.500 1.690 1.671 1.702 . 0 0 "[ . ]" 2
12 1 2 G N2 1 27 C O2 3.000 2.500 3.500 2.672 2.649 2.684 . 0 0 "[ . ]" 2
13 1 3 G O6 1 26 C H41 2.000 . 2.500 2.134 2.117 2.141 . 0 0 "[ . ]" 2
14 1 3 G O6 1 26 C N4 3.000 2.500 3.500 3.112 3.095 3.123 . 0 0 "[ . ]" 2
15 1 3 G H1 1 26 C N3 2.000 . 2.500 1.995 1.978 2.006 . 0 0 "[ . ]" 2
16 1 3 G N1 1 26 C N3 3.000 2.500 3.500 2.966 2.953 2.976 . 0 0 "[ . ]" 2
17 1 3 G H21 1 26 C O2 2.000 . 2.500 1.768 1.750 1.786 . 0 0 "[ . ]" 2
18 1 3 G N2 1 26 C O2 3.000 2.500 3.500 2.710 2.690 2.726 . 0 0 "[ . ]" 2
19 1 4 C H41 1 25 G O6 2.000 . 2.500 2.328 2.283 2.397 . 0 0 "[ . ]" 2
20 1 4 C N4 1 25 G O6 3.000 2.500 3.500 3.322 3.278 3.390 . 0 0 "[ . ]" 2
21 1 4 C N3 1 25 G H1 2.000 . 2.500 2.243 2.216 2.274 . 0 0 "[ . ]" 2
22 1 4 C N3 1 25 G N1 3.000 2.500 3.500 3.226 3.203 3.252 . 0 0 "[ . ]" 2
23 1 4 C O2 1 25 G H21 2.000 . 2.500 2.062 2.031 2.097 . 0 0 "[ . ]" 2
24 1 4 C O2 1 25 G N2 3.000 2.500 3.500 3.016 2.975 3.046 . 0 0 "[ . ]" 2
25 1 5 U O4 1 24 A H61 2.000 . 2.500 2.533 2.512 2.543 0.043 4 0 "[ . ]" 2
26 1 5 U O4 1 24 A N6 3.000 2.500 3.500 3.538 3.519 3.547 0.047 5 0 "[ . ]" 2
27 1 5 U H3 1 24 A N1 2.000 . 2.500 2.581 2.563 2.596 0.096 7 0 "[ . ]" 2
28 1 5 U N3 1 24 A N1 3.000 2.500 3.500 3.465 3.451 3.478 . 0 0 "[ . ]" 2
29 1 6 G O6 1 23 C H41 2.000 . 2.500 2.211 2.135 2.321 . 0 0 "[ . ]" 2
30 1 6 G O6 1 23 C N4 3.000 2.500 3.500 3.184 3.109 3.295 . 0 0 "[ . ]" 2
31 1 6 G H1 1 23 C N3 2.000 . 2.500 2.103 2.056 2.170 . 0 0 "[ . ]" 2
32 1 6 G N1 1 23 C N3 3.000 2.500 3.500 2.959 2.921 3.014 . 0 0 "[ . ]" 2
33 1 6 G H21 1 23 C O2 2.000 . 2.500 1.921 1.907 1.942 . 0 0 "[ . ]" 2
34 1 6 G N2 1 23 C O2 3.000 2.500 3.500 2.642 2.637 2.647 . 0 0 "[ . ]" 2
35 1 9 A H61 1 20 U O4 2.000 . 2.500 1.763 1.743 1.787 . 0 0 "[ . ]" 2
36 1 9 A N6 1 20 U O4 3.000 2.500 3.500 2.614 2.603 2.622 . 0 0 "[ . ]" 2
37 1 9 A N1 1 20 U H3 2.000 . 2.500 2.129 2.085 2.173 . 0 0 "[ . ]" 2
38 1 9 A N1 1 20 U N3 3.000 2.500 3.500 3.117 3.072 3.159 . 0 0 "[ . ]" 2
39 1 10 U O4 1 19 A H61 2.000 . 2.500 1.850 1.798 1.901 . 0 0 "[ . ]" 2
40 1 10 U O4 1 19 A N6 3.000 2.500 3.500 2.804 2.754 2.861 . 0 0 "[ . ]" 2
41 1 10 U H3 1 19 A N1 2.000 . 2.500 2.535 2.518 2.555 0.055 6 0 "[ . ]" 2
42 1 10 U N3 1 19 A N1 3.000 2.500 3.500 3.490 3.463 3.507 0.007 6 0 "[ . ]" 2
43 1 11 G O6 1 18 C H41 2.000 . 2.500 2.437 2.428 2.452 . 0 0 "[ . ]" 2
44 1 11 G O6 1 18 C N4 3.000 2.500 3.500 3.430 3.421 3.445 . 0 0 "[ . ]" 2
45 1 11 G H1 1 18 C N3 2.000 . 2.500 2.539 2.532 2.548 0.048 3 0 "[ . ]" 2
46 1 11 G N1 1 18 C N3 3.000 2.500 3.500 3.527 3.525 3.529 0.029 3 0 "[ . ]" 2
47 1 11 G H21 1 18 C O2 2.000 . 2.500 2.570 2.561 2.582 0.082 3 0 "[ . ]" 2
48 1 11 G N2 1 18 C O2 3.000 2.500 3.500 3.531 3.518 3.538 0.038 6 0 "[ . ]" 2
49 1 12 C H41 1 17 G O6 2.000 . 2.500 2.565 2.534 2.596 0.096 6 0 "[ . ]" 2
50 1 12 C N4 1 17 G O6 3.000 2.500 3.500 3.441 3.411 3.468 . 0 0 "[ . ]" 2
51 1 12 C N3 1 17 G H1 2.000 . 2.500 2.438 2.411 2.484 . 0 0 "[ . ]" 2
52 1 12 C N3 1 17 G N1 3.000 2.500 3.500 3.352 3.336 3.383 . 0 0 "[ . ]" 2
53 1 12 C O2 1 17 G H21 2.000 . 2.500 2.229 2.184 2.281 . 0 0 "[ . ]" 2
54 1 12 C O2 1 17 G N2 3.000 2.500 3.500 3.173 3.139 3.213 . 0 0 "[ . ]" 2
55 1 7 U O2 1 22 U H3 2.000 . 2.500 2.655 2.631 2.678 0.178 5 0 "[ . ]" 2
56 1 7 U O2 1 22 U N3 3.000 2.500 3.500 3.517 3.504 3.534 0.034 5 0 "[ . ]" 2
57 1 7 U H3 1 22 U O4 2.000 . 2.500 2.650 2.635 2.665 0.165 4 0 "[ . ]" 2
58 1 7 U N3 1 22 U O4 3.000 2.500 3.500 3.516 3.505 3.537 0.037 4 0 "[ . ]" 2
59 1 8 G N3 1 21 A H62 2.000 . 2.500 2.195 2.186 2.207 . 0 0 "[ . ]" 2
60 1 8 G N3 1 21 A N6 3.000 2.500 3.500 2.800 2.781 2.817 . 0 0 "[ . ]" 2
61 1 8 G H22 1 21 A N7 2.000 . 2.500 2.611 2.583 2.635 0.135 4 0 "[ . ]" 2
62 1 8 G N2 1 21 A N7 3.000 2.500 3.500 3.537 3.513 3.568 0.068 4 0 "[ . ]" 2
63 1 13 U O2 1 16 G H21 2.200 . 2.700 2.712 2.696 2.739 0.039 5 0 "[ . ]" 2
64 1 13 U O2 1 16 G N2 3.200 2.700 3.700 3.416 3.405 3.439 . 0 0 "[ . ]" 2
65 1 13 U O2 1 16 G H1 2.200 . 2.700 1.607 1.600 1.612 0.100 7 0 "[ . ]" 2
66 1 13 U O2 1 16 G N1 3.200 2.700 3.700 2.589 2.580 2.596 0.120 7 0 "[ . ]" 2
67 1 13 U H2' 1 16 G O6 2.200 . 2.700 4.340 4.308 4.361 1.661 4 8 [***+-***] 2
68 1 14 U H2' 1 16 G N7 2.200 . 2.700 3.604 3.583 3.642 0.942 7 8 [-*****+*] 2
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