NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
400394 |
1uuu   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1uuu
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 321
_Distance_constraint_stats_list.Viol_count 1067
_Distance_constraint_stats_list.Viol_total 1765.485
_Distance_constraint_stats_list.Viol_max 0.948
_Distance_constraint_stats_list.Viol_rms 0.0742
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0244
_Distance_constraint_stats_list.Viol_average_violations_only 0.1103
_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 4.284 0.390 4 0 "[ . 1 .]"
1 2 G 4.569 0.390 4 0 "[ . 1 .]"
1 3 C 8.660 0.948 9 3 "[* . +1 - .]"
1 4 G 13.054 0.948 9 3 "[* . +1 - .]"
1 5 U 11.896 0.315 10 0 "[ . 1 .]"
1 6 A 3.803 0.127 2 0 "[ . 1 .]"
1 7 C 7.933 0.221 9 0 "[ . 1 .]"
1 8 G 8.100 0.242 14 0 "[ . 1 .]"
1 9 U 11.527 0.568 11 4 "[ -. 1+ **.]"
1 10 U 17.802 0.568 11 2 "[ . 1+ - .]"
1 11 U 8.496 0.472 15 0 "[ . 1 .]"
1 12 C 12.320 0.450 5 0 "[ . 1 .]"
1 13 G 13.274 0.450 5 0 "[ . 1 .]"
1 14 U 4.074 0.236 8 0 "[ . 1 .]"
1 15 A 8.532 0.504 15 1 "[ . 1 +]"
1 16 C 6.455 0.305 5 0 "[ . 1 .]"
1 17 G 7.983 0.468 14 0 "[ . 1 .]"
1 18 C 3.829 0.104 15 0 "[ . 1 .]"
1 19 C 8.279 0.258 14 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 H5' 1 1 G H5'' . . 2.400 1.773 1.765 1.778 . 0 0 "[ . 1 .]" 1
2 1 1 G H4' 1 1 G H5' . . 2.700 2.501 2.428 2.534 . 0 0 "[ . 1 .]" 1
3 1 1 G H3' 1 1 G H5' . . 4.300 3.671 3.587 3.723 . 0 0 "[ . 1 .]" 1
4 1 1 G H4' 1 1 G H5'' . . 2.700 2.416 2.336 2.541 . 0 0 "[ . 1 .]" 1
5 1 1 G H3' 1 1 G H5'' . . 3.400 3.041 2.853 3.201 . 0 0 "[ . 1 .]" 1
6 1 1 G H3' 1 1 G H4' . . 2.900 2.988 2.974 2.996 0.096 5 0 "[ . 1 .]" 1
7 1 1 G H2' 1 1 G H4' . . 3.900 3.740 3.689 3.875 . 0 0 "[ . 1 .]" 1
8 1 1 G H1' 1 1 G H4' . . 3.600 3.275 2.853 3.517 . 0 0 "[ . 1 .]" 1
9 1 1 G H2' 1 1 G H3' . . 2.900 2.393 2.338 2.466 . 0 0 "[ . 1 .]" 1
10 1 1 G H3' 1 2 G H8 . . 4.500 3.978 1.940 4.514 0.014 14 0 "[ . 1 .]" 1
11 1 1 G H1' 1 1 G H2' . . 3.100 2.715 2.638 2.815 . 0 0 "[ . 1 .]" 1
12 1 1 G H2' 1 1 G H8 . . 3.600 3.059 2.103 3.634 0.034 12 0 "[ . 1 .]" 1
13 1 1 G H2' 1 2 G H5' . . 4.100 3.677 2.080 4.262 0.162 12 0 "[ . 1 .]" 1
14 1 1 G H2' 1 2 G H8 . . 3.000 2.084 1.942 2.525 . 0 0 "[ . 1 .]" 1
15 1 1 G H1' 1 2 G H8 . . 3.600 3.772 3.687 3.990 0.390 4 0 "[ . 1 .]" 1
16 1 2 G H5' 1 2 G H5'' . . 2.400 1.765 1.757 1.774 . 0 0 "[ . 1 .]" 1
17 1 2 G H4' 1 2 G H5'' . . 2.700 2.358 2.276 2.588 . 0 0 "[ . 1 .]" 1
18 1 2 G H3' 1 2 G H5'' . . 3.200 3.081 2.794 3.210 0.010 15 0 "[ . 1 .]" 1
19 1 2 G H5'' 1 2 G H8 . . 3.900 3.974 3.926 4.028 0.128 10 0 "[ . 1 .]" 1
20 1 2 G H1' 1 2 G H4' . . 3.700 3.465 3.306 3.553 . 0 0 "[ . 1 .]" 1
21 1 2 G H4' 1 2 G H8 . . 4.400 4.088 4.003 4.357 . 0 0 "[ . 1 .]" 1
22 1 2 G H1' 1 2 G H3' . . 4.700 3.788 3.734 3.839 . 0 0 "[ . 1 .]" 1
23 1 2 G H3' 1 2 G H8 . . 3.100 2.913 2.212 3.181 0.081 4 0 "[ . 1 .]" 1
24 1 2 G H3' 1 3 C H5 . . 3.700 3.333 3.031 3.749 0.049 9 0 "[ . 1 .]" 1
25 1 2 G H3' 1 3 C H6 . . 3.600 2.938 2.566 3.647 0.047 12 0 "[ . 1 .]" 1
26 1 2 G H1' 1 2 G H2' . . 3.000 2.720 2.706 2.738 . 0 0 "[ . 1 .]" 1
27 1 2 G H2' 1 3 C H5 . . 4.500 3.873 3.118 4.285 . 0 0 "[ . 1 .]" 1
28 1 2 G H2' 1 3 C H6 . . 2.700 2.451 2.199 2.670 . 0 0 "[ . 1 .]" 1
29 1 2 G H1' 1 2 G H8 . . 4.300 3.704 3.576 3.929 . 0 0 "[ . 1 .]" 1
30 1 2 G H1' 1 3 C H6 . . 5.000 4.986 4.841 5.035 0.035 4 0 "[ . 1 .]" 1
31 1 3 C H5' 1 3 C H5'' . . 2.400 1.773 1.767 1.777 . 0 0 "[ . 1 .]" 1
32 1 3 C H4' 1 3 C H5' . . 2.600 2.474 2.432 2.496 . 0 0 "[ . 1 .]" 1
33 1 3 C H5' 1 3 C H6 . . 5.000 3.688 3.575 3.880 . 0 0 "[ . 1 .]" 1
34 1 3 C H4' 1 3 C H5'' . . 2.600 2.456 2.433 2.516 . 0 0 "[ . 1 .]" 1
35 1 3 C H5'' 1 3 C H6 . . 3.800 4.096 3.973 4.149 0.349 4 0 "[ . 1 .]" 1
36 1 3 C H1' 1 3 C H4' . . 3.900 3.204 3.172 3.258 . 0 0 "[ . 1 .]" 1
37 1 3 C H4' 1 3 C H6 . . 4.000 4.071 4.039 4.087 0.087 15 0 "[ . 1 .]" 1
38 1 3 C H2' 1 3 C H3' . . 2.600 2.354 2.333 2.396 . 0 0 "[ . 1 .]" 1
39 1 3 C H1' 1 3 C H3' . . 5.000 3.868 3.769 3.902 . 0 0 "[ . 1 .]" 1
40 1 3 C H3' 1 3 C H6 . . 3.000 2.650 2.160 2.893 . 0 0 "[ . 1 .]" 1
41 1 3 C H1' 1 3 C H2' . . 2.900 2.784 2.746 2.797 . 0 0 "[ . 1 .]" 1
42 1 3 C H2' 1 4 G H5'' . . 3.400 3.038 2.677 4.348 0.948 9 3 "[* . +1 - .]" 1
43 1 3 C H2' 1 4 G H5' . . 4.300 3.977 2.998 4.240 . 0 0 "[ . 1 .]" 1
44 1 3 C H2' 1 4 G H1' . . 5.000 3.887 3.823 3.988 . 0 0 "[ . 1 .]" 1
45 1 3 C H2' 1 4 G H8 . . 2.700 2.187 2.047 2.498 . 0 0 "[ . 1 .]" 1
46 1 3 C H1' 1 3 C H6 . . 3.800 3.672 3.645 3.718 . 0 0 "[ . 1 .]" 1
47 1 3 C H1' 1 4 G H8 . . 5.300 4.699 4.636 4.828 . 0 0 "[ . 1 .]" 1
48 1 3 C H5 1 3 C H6 . . 2.600 2.454 2.387 2.471 . 0 0 "[ . 1 .]" 1
49 1 4 G H5' 1 4 G H5'' . . 2.400 1.773 1.768 1.777 . 0 0 "[ . 1 .]" 1
50 1 4 G H5'' 1 4 G H8 . . 4.500 2.613 2.193 4.209 . 0 0 "[ . 1 .]" 1
51 1 4 G H4' 1 4 G H5' . . 2.700 2.548 2.445 2.583 . 0 0 "[ . 1 .]" 1
52 1 4 G H5' 1 4 G H8 . . 3.500 3.881 3.728 3.952 0.452 8 0 "[ . 1 .]" 1
53 1 4 G H1' 1 4 G H4' . . 3.900 3.436 3.308 3.480 . 0 0 "[ . 1 .]" 1
54 1 4 G H4' 1 4 G H8 . . 4.400 4.261 4.219 4.309 . 0 0 "[ . 1 .]" 1
55 1 4 G H4' 1 5 U H6 . . 5.000 5.166 5.126 5.197 0.197 7 0 "[ . 1 .]" 1
56 1 4 G H1' 1 4 G H3' . . 4.100 3.771 3.759 3.782 . 0 0 "[ . 1 .]" 1
57 1 4 G H3' 1 4 G H8 . . 3.700 3.008 2.705 3.220 . 0 0 "[ . 1 .]" 1
58 1 4 G H3' 1 5 U H5 . . 3.200 3.142 3.022 3.229 0.029 9 0 "[ . 1 .]" 1
59 1 4 G H3' 1 5 U H6 . . 4.100 2.867 2.745 3.074 . 0 0 "[ . 1 .]" 1
60 1 4 G H1' 1 4 G H2' . . 2.700 2.652 2.629 2.661 . 0 0 "[ . 1 .]" 1
61 1 4 G H2' 1 4 G H8 . . 4.900 4.175 3.942 4.299 . 0 0 "[ . 1 .]" 1
62 1 4 G H2' 1 5 U H5 . . 3.500 3.518 3.337 3.562 0.062 15 0 "[ . 1 .]" 1
63 1 4 G H2' 1 5 U H6 . . 2.400 1.951 1.923 2.000 . 0 0 "[ . 1 .]" 1
64 1 4 G H1' 1 4 G H8 . . 4.500 3.754 3.710 3.825 . 0 0 "[ . 1 .]" 1
65 1 4 G H1' 1 5 U H6 . . 4.400 4.501 4.477 4.526 0.126 10 0 "[ . 1 .]" 1
66 1 5 U H5' 1 5 U H6 . . 4.900 3.536 3.510 3.599 . 0 0 "[ . 1 .]" 1
67 1 5 U H3' 1 5 U H5'' . . 4.100 2.934 2.818 3.003 . 0 0 "[ . 1 .]" 1
68 1 5 U H5'' 1 5 U H6 . . 3.800 4.097 4.078 4.115 0.315 10 0 "[ . 1 .]" 1
69 1 5 U H3' 1 5 U H4' . . 2.900 2.989 2.982 2.993 0.093 5 0 "[ . 1 .]" 1
70 1 5 U H1' 1 5 U H4' . . 3.600 3.297 3.236 3.341 . 0 0 "[ . 1 .]" 1
71 1 5 U H4' 1 5 U H6 . . 4.200 4.108 4.097 4.125 . 0 0 "[ . 1 .]" 1
72 1 5 U H1' 1 5 U H3' . . 3.800 3.781 3.732 3.836 0.036 10 0 "[ . 1 .]" 1
73 1 5 U H3' 1 5 U H6 . . 2.700 2.769 2.704 2.836 0.136 8 0 "[ . 1 .]" 1
74 1 5 U H1' 1 5 U H2' . . 2.900 2.762 2.738 2.802 . 0 0 "[ . 1 .]" 1
75 1 5 U H2' 1 6 A Q5' . . 3.500 2.766 1.949 3.307 . 0 0 "[ . 1 .]" 1
76 1 5 U H2' 1 6 A H8 . . 2.400 2.370 2.244 2.466 0.066 10 0 "[ . 1 .]" 1
77 1 5 U H1' 1 5 U H5 . . 5.400 5.369 5.351 5.403 0.003 10 0 "[ . 1 .]" 1
78 1 5 U H1' 1 5 U H6 . . 4.000 3.653 3.633 3.685 . 0 0 "[ . 1 .]" 1
79 1 5 U H1' 1 6 A H8 . . 5.100 4.853 4.786 4.934 . 0 0 "[ . 1 .]" 1
80 1 5 U H5 1 5 U H6 . . 2.600 2.436 2.416 2.457 . 0 0 "[ . 1 .]" 1
81 1 6 A Q5' 1 6 A H8 . . 3.700 2.872 1.936 3.710 0.010 4 0 "[ . 1 .]" 1
82 1 6 A H3' 1 6 A Q5' . . 3.700 2.541 2.204 2.913 . 0 0 "[ . 1 .]" 1
83 1 6 A H3' 1 6 A H4' . . 3.000 3.017 3.005 3.027 0.027 4 0 "[ . 1 .]" 1
84 1 6 A H1' 1 6 A H4' . . 3.900 3.343 3.181 3.563 . 0 0 "[ . 1 .]" 1
85 1 6 A H2' 1 6 A H3' . . 2.700 2.359 2.337 2.385 . 0 0 "[ . 1 .]" 1
86 1 6 A H1' 1 6 A H3' . . 4.200 3.801 3.772 3.832 . 0 0 "[ . 1 .]" 1
87 1 6 A H3' 1 6 A H8 . . 3.200 2.803 2.578 2.991 . 0 0 "[ . 1 .]" 1
88 1 6 A H3' 1 7 C H5 . . 3.800 3.613 3.271 3.825 0.025 2 0 "[ . 1 .]" 1
89 1 6 A H3' 1 7 C H6 . . 3.500 3.385 2.935 3.541 0.041 15 0 "[ . 1 .]" 1
90 1 6 A H1' 1 6 A H2' . . 2.700 2.737 2.714 2.751 0.051 11 0 "[ . 1 .]" 1
91 1 6 A H2' 1 7 C H1' . . 3.700 3.686 3.491 3.758 0.058 3 0 "[ . 1 .]" 1
92 1 6 A H2' 1 7 C H5 . . 3.900 3.751 3.544 3.930 0.030 13 0 "[ . 1 .]" 1
93 1 6 A H2' 1 7 C H6 . . 2.600 2.505 2.384 2.596 . 0 0 "[ . 1 .]" 1
94 1 6 A H1' 1 6 A H8 . . 4.000 3.820 3.762 3.901 . 0 0 "[ . 1 .]" 1
95 1 6 A H1' 1 7 C H6 . . 5.300 5.207 5.026 5.310 0.010 10 0 "[ . 1 .]" 1
96 1 6 A H1' 1 15 A H2 . . 3.900 3.904 3.761 3.950 0.050 6 0 "[ . 1 .]" 1
97 1 6 A H2 1 7 C H1' . . 3.700 3.718 3.449 3.827 0.127 2 0 "[ . 1 .]" 1
98 1 6 A H2 1 15 A H1' . . 3.700 3.749 3.714 3.807 0.107 2 0 "[ . 1 .]" 1
99 1 6 A H8 1 7 C H5 . . 4.300 4.267 4.062 4.349 0.049 10 0 "[ . 1 .]" 1
100 1 7 C H4' 1 7 C H5' . . 2.600 2.408 2.377 2.425 . 0 0 "[ . 1 .]" 1
101 1 7 C H5' 1 7 C H6 . . 4.300 3.760 3.630 3.817 . 0 0 "[ . 1 .]" 1
102 1 7 C H4' 1 7 C H5'' . . 2.600 2.481 2.454 2.508 . 0 0 "[ . 1 .]" 1
103 1 7 C H3' 1 7 C H5'' . . 3.300 3.013 2.953 3.077 . 0 0 "[ . 1 .]" 1
104 1 7 C H5'' 1 7 C H6 . . 3.600 3.733 3.686 3.767 0.167 12 0 "[ . 1 .]" 1
105 1 7 C H1' 1 7 C H4' . . 3.400 3.361 3.317 3.411 0.011 6 0 "[ . 1 .]" 1
106 1 7 C H4' 1 7 C H6 . . 4.200 3.970 3.924 4.003 . 0 0 "[ . 1 .]" 1
107 1 7 C H2' 1 7 C H3' . . 2.800 2.370 2.310 2.415 . 0 0 "[ . 1 .]" 1
108 1 7 C H3' 1 7 C H6 . . 2.700 2.131 2.046 2.219 . 0 0 "[ . 1 .]" 1
109 1 7 C H3' 1 8 G H8 . . 3.900 4.051 3.987 4.112 0.212 2 0 "[ . 1 .]" 1
110 1 7 C H1' 1 7 C H2' . . 2.900 2.752 2.711 2.800 . 0 0 "[ . 1 .]" 1
111 1 7 C H2' 1 7 C H6 . . 3.900 3.665 3.555 3.805 . 0 0 "[ . 1 .]" 1
112 1 7 C H2' 1 8 G H1' . . 4.300 4.440 4.334 4.521 0.221 9 0 "[ . 1 .]" 1
113 1 7 C H2' 1 8 G H8 . . 3.000 1.926 1.834 2.120 . 0 0 "[ . 1 .]" 1
114 1 7 C H1' 1 7 C H6 . . 3.900 3.718 3.654 3.750 . 0 0 "[ . 1 .]" 1
115 1 7 C H5 1 7 C H6 . . 2.500 2.425 2.407 2.449 . 0 0 "[ . 1 .]" 1
116 1 8 G H5' 1 8 G H5'' . . 2.400 1.779 1.771 1.791 . 0 0 "[ . 1 .]" 1
117 1 8 G H4' 1 8 G H5' . . 2.500 2.437 2.372 2.516 0.016 7 0 "[ . 1 .]" 1
118 1 8 G H4' 1 8 G H5'' . . 2.900 2.661 2.461 3.003 0.103 10 0 "[ . 1 .]" 1
119 1 8 G H3' 1 8 G H5'' . . 3.600 2.944 2.538 3.180 . 0 0 "[ . 1 .]" 1
120 1 8 G H1' 1 8 G H4' . . 3.300 2.770 2.462 3.244 . 0 0 "[ . 1 .]" 1
121 1 8 G H4' 1 8 G H8 . . 5.100 4.543 4.193 4.723 . 0 0 "[ . 1 .]" 1
122 1 8 G H2' 1 8 G H3' . . 2.700 2.353 2.278 2.459 . 0 0 "[ . 1 .]" 1
123 1 8 G H1' 1 8 G H3' . . 4.400 3.784 3.716 3.853 . 0 0 "[ . 1 .]" 1
124 1 8 G H3' 1 8 G H8 . . 3.500 3.174 2.197 3.571 0.071 15 0 "[ . 1 .]" 1
125 1 8 G H1' 1 8 G H2' . . 3.000 2.917 2.786 2.985 . 0 0 "[ . 1 .]" 1
126 1 8 G H2' 1 8 G H8 . . 3.700 3.565 3.092 3.744 0.044 2 0 "[ . 1 .]" 1
127 1 8 G H2' 1 9 U H6 . . 3.700 3.550 2.677 3.809 0.109 2 0 "[ . 1 .]" 1
128 1 8 G H1' 1 8 G H8 . . 3.500 3.661 3.617 3.742 0.242 14 0 "[ . 1 .]" 1
129 1 9 U H5' 1 9 U H5'' . . 2.400 1.768 1.759 1.776 . 0 0 "[ . 1 .]" 1
130 1 9 U H4' 1 9 U H5' . . 2.700 2.289 2.202 2.496 . 0 0 "[ . 1 .]" 1
131 1 9 U H3' 1 9 U H5' . . 3.500 3.595 3.564 3.630 0.130 15 0 "[ . 1 .]" 1
132 1 9 U H5' 1 9 U H6 . . 4.700 4.097 4.030 4.175 . 0 0 "[ . 1 .]" 1
133 1 9 U H4' 1 9 U H5'' . . 2.700 2.629 2.376 2.714 0.014 6 0 "[ . 1 .]" 1
134 1 9 U H3' 1 9 U H5'' . . 3.200 2.523 2.337 3.102 . 0 0 "[ . 1 .]" 1
135 1 9 U H5'' 1 9 U H6 . . 4.000 3.525 3.148 4.546 0.546 14 2 "[ -. 1 +.]" 1
136 1 9 U H2' 1 9 U H4' . . 4.200 3.918 3.721 4.023 . 0 0 "[ . 1 .]" 1
137 1 9 U H1' 1 9 U H4' . . 3.600 3.409 2.940 3.609 0.009 2 0 "[ . 1 .]" 1
138 1 9 U H4' 1 10 U Q5' . . 4.000 4.356 3.579 4.568 0.568 11 2 "[ . 1+ - .]" 1
139 1 9 U H2' 1 9 U H3' . . 2.700 2.296 2.211 2.321 . 0 0 "[ . 1 .]" 1
140 1 9 U H1' 1 9 U H3' . . 4.300 3.915 3.796 3.969 . 0 0 "[ . 1 .]" 1
141 1 9 U H3' 1 9 U H6 . . 3.200 2.244 2.127 2.385 . 0 0 "[ . 1 .]" 1
142 1 9 U H3' 1 10 U Q5' . . 4.300 3.370 1.949 4.422 0.122 3 0 "[ . 1 .]" 1
143 1 9 U H3' 1 10 U H5 . . 4.300 4.338 4.081 4.450 0.150 15 0 "[ . 1 .]" 1
144 1 9 U H3' 1 10 U H6 . . 4.300 3.000 2.675 3.686 . 0 0 "[ . 1 .]" 1
145 1 9 U H1' 1 9 U H2' . . 3.100 2.804 2.756 2.880 . 0 0 "[ . 1 .]" 1
146 1 9 U H2' 1 9 U H5 . . 5.200 4.527 4.432 4.597 . 0 0 "[ . 1 .]" 1
147 1 9 U H2' 1 9 U H6 . . 2.700 2.775 2.744 2.846 0.146 14 0 "[ . 1 .]" 1
148 1 9 U H1' 1 9 U H6 . . 3.900 3.765 3.679 3.813 . 0 0 "[ . 1 .]" 1
149 1 9 U H5 1 9 U H6 . . 2.600 2.440 2.418 2.482 . 0 0 "[ . 1 .]" 1
150 1 10 U H4' 1 10 U Q5' . . 2.400 2.252 2.152 2.376 . 0 0 "[ . 1 .]" 1
151 1 10 U H3' 1 10 U Q5' . . 3.100 2.327 2.008 2.817 . 0 0 "[ . 1 .]" 1
152 1 10 U H2' 1 10 U Q5' . . 3.500 3.203 2.056 3.869 0.369 11 0 "[ . 1 .]" 1
153 1 10 U H1' 1 10 U Q5' . . 5.500 4.200 3.946 4.354 . 0 0 "[ . 1 .]" 1
154 1 10 U Q5' 1 10 U H6 . . 4.200 3.332 2.095 4.118 . 0 0 "[ . 1 .]" 1
155 1 10 U Q5' 1 11 U H2' . . 3.900 4.136 3.381 4.372 0.472 15 0 "[ . 1 .]" 1
156 1 10 U H3' 1 10 U H4' . . 3.000 2.830 2.747 2.993 . 0 0 "[ . 1 .]" 1
157 1 10 U H1' 1 10 U H4' . . 3.800 3.242 2.738 3.531 . 0 0 "[ . 1 .]" 1
158 1 10 U H4' 1 11 U H3' . . 4.400 2.969 2.475 3.379 . 0 0 "[ . 1 .]" 1
159 1 10 U H4' 1 12 C H3' . . 4.100 4.296 4.246 4.348 0.248 15 0 "[ . 1 .]" 1
160 1 10 U H2' 1 10 U H3' . . 2.700 2.258 2.212 2.316 . 0 0 "[ . 1 .]" 1
161 1 10 U H1' 1 10 U H3' . . 4.800 3.827 3.740 3.934 . 0 0 "[ . 1 .]" 1
162 1 10 U H3' 1 10 U H6 . . 3.900 3.918 3.108 4.077 0.177 7 0 "[ . 1 .]" 1
163 1 10 U H1' 1 10 U H2' . . 3.300 3.024 2.933 3.050 . 0 0 "[ . 1 .]" 1
164 1 10 U H2' 1 10 U H5 . . 4.400 4.268 4.121 4.472 0.072 14 0 "[ . 1 .]" 1
165 1 10 U H2' 1 10 U H6 . . 2.600 2.232 1.922 2.633 0.033 14 0 "[ . 1 .]" 1
166 1 10 U H1' 1 10 U H6 . . 3.600 3.667 3.637 3.686 0.086 12 0 "[ . 1 .]" 1
167 1 10 U H5 1 10 U H6 . . 2.700 2.453 2.400 2.498 . 0 0 "[ . 1 .]" 1
168 1 11 U H4' 1 11 U Q5' . . 2.800 2.162 2.138 2.183 . 0 0 "[ . 1 .]" 1
169 1 11 U H3' 1 11 U Q5' . . 3.400 2.601 2.562 2.636 . 0 0 "[ . 1 .]" 1
170 1 11 U Q5' 1 11 U H6 . . 4.200 3.039 2.823 3.219 . 0 0 "[ . 1 .]" 1
171 1 11 U H3' 1 11 U H4' . . 3.100 2.795 2.767 2.817 . 0 0 "[ . 1 .]" 1
172 1 11 U H1' 1 11 U H4' . . 3.700 3.302 3.205 3.408 . 0 0 "[ . 1 .]" 1
173 1 11 U H4' 1 12 C Q5' . . 4.200 2.828 2.564 3.137 . 0 0 "[ . 1 .]" 1
174 1 11 U H4' 1 12 C H6 . . 3.800 2.249 2.078 2.457 . 0 0 "[ . 1 .]" 1
175 1 11 U H2' 1 11 U H3' . . 2.600 2.323 2.301 2.338 . 0 0 "[ . 1 .]" 1
176 1 11 U H1' 1 11 U H3' . . 4.700 3.826 3.792 3.874 . 0 0 "[ . 1 .]" 1
177 1 11 U H3' 1 11 U H6 . . 4.000 4.018 3.981 4.045 0.045 4 0 "[ . 1 .]" 1
178 1 11 U H3' 1 12 C Q5' . . 5.000 2.020 1.943 2.073 . 0 0 "[ . 1 .]" 1
179 1 11 U H3' 1 12 C H6 . . 3.900 3.864 3.778 3.938 0.038 7 0 "[ . 1 .]" 1
180 1 11 U H1' 1 11 U H2' . . 3.500 3.027 3.002 3.046 . 0 0 "[ . 1 .]" 1
181 1 11 U H2' 1 11 U H5 . . 4.300 4.363 4.331 4.434 0.134 15 0 "[ . 1 .]" 1
182 1 11 U H2' 1 11 U H6 . . 2.500 2.345 2.250 2.434 . 0 0 "[ . 1 .]" 1
183 1 11 U H1' 1 11 U H6 . . 3.500 3.639 3.622 3.646 0.146 5 0 "[ . 1 .]" 1
184 1 11 U H1' 1 12 C H5 . . 4.100 4.078 3.779 4.145 0.045 8 0 "[ . 1 .]" 1
185 1 11 U H1' 1 12 C H6 . . 5.000 4.527 4.195 4.710 . 0 0 "[ . 1 .]" 1
186 1 11 U H5 1 11 U H6 . . 2.600 2.471 2.435 2.494 . 0 0 "[ . 1 .]" 1
187 1 12 C H5' 1 12 C H5'' . . 2.400 1.773 1.761 1.782 . 0 0 "[ . 1 .]" 1
188 1 12 C H4' 1 12 C Q5' . . 2.700 2.135 2.114 2.171 . 0 0 "[ . 1 .]" 1
189 1 12 C H3' 1 12 C Q5' . . 3.300 2.403 2.328 2.454 . 0 0 "[ . 1 .]" 1
190 1 12 C Q5' 1 12 C H6 . . 3.600 2.993 2.765 3.260 . 0 0 "[ . 1 .]" 1
191 1 12 C Q5' 1 13 G H4' . . 4.500 4.871 4.793 4.950 0.450 5 0 "[ . 1 .]" 1
192 1 12 C H2' 1 12 C Q5' . . 4.300 3.407 3.325 3.487 . 0 0 "[ . 1 .]" 1
193 1 12 C H3' 1 12 C H4' . . 3.100 2.709 2.655 2.757 . 0 0 "[ . 1 .]" 1
194 1 12 C H1' 1 12 C H4' . . 3.900 3.359 3.256 3.484 . 0 0 "[ . 1 .]" 1
195 1 12 C H4' 1 12 C H6 . . 4.900 4.200 4.051 4.321 . 0 0 "[ . 1 .]" 1
196 1 12 C H3' 1 12 C H6 . . 4.300 4.361 4.154 4.425 0.125 11 0 "[ . 1 .]" 1
197 1 12 C H2' 1 12 C H6 . . 2.900 2.799 2.479 2.932 0.032 1 0 "[ . 1 .]" 1
198 1 12 C H2' 1 13 G H8 . . 4.500 4.645 4.598 4.710 0.210 1 0 "[ . 1 .]" 1
199 1 12 C H1' 1 12 C H6 . . 4.500 3.658 3.628 3.728 . 0 0 "[ . 1 .]" 1
200 1 12 C H1' 1 13 G H8 . . 4.100 2.457 2.111 2.704 . 0 0 "[ . 1 .]" 1
201 1 12 C H5 1 12 C H6 . . 2.600 2.467 2.448 2.483 . 0 0 "[ . 1 .]" 1
202 1 13 G H4' 1 13 G Q5' . . 2.600 2.356 2.185 2.488 . 0 0 "[ . 1 .]" 1
203 1 13 G Q5' 1 13 G H8 . . 3.900 4.051 3.710 4.327 0.427 3 0 "[ . 1 .]" 1
204 1 13 G H1' 1 13 G H4' . . 3.800 2.658 2.436 2.903 . 0 0 "[ . 1 .]" 1
205 1 13 G H1' 1 13 G H2' . . 3.300 2.873 2.776 2.950 . 0 0 "[ . 1 .]" 1
206 1 13 G H2' 1 13 G H8 . . 3.700 3.729 3.380 3.822 0.122 15 0 "[ . 1 .]" 1
207 1 13 G H2' 1 14 U H5 . . 3.800 2.593 2.240 3.040 . 0 0 "[ . 1 .]" 1
208 1 13 G H2' 1 14 U H6 . . 2.800 2.292 2.026 2.824 0.024 3 0 "[ . 1 .]" 1
209 1 13 G H1' 1 13 G H8 . . 3.900 3.783 3.670 3.864 . 0 0 "[ . 1 .]" 1
210 1 13 G H1' 1 14 U H6 . . 4.200 4.328 4.296 4.388 0.188 12 0 "[ . 1 .]" 1
211 1 14 U H4' 1 14 U H5' . . 3.000 2.485 2.428 2.544 . 0 0 "[ . 1 .]" 1
212 1 14 U H3' 1 14 U H5' . . 4.600 3.721 3.672 3.765 . 0 0 "[ . 1 .]" 1
213 1 14 U H5' 1 14 U H6 . . 3.800 3.759 3.584 4.036 0.236 8 0 "[ . 1 .]" 1
214 1 14 U H1' 1 14 U H4' . . 3.600 3.171 3.050 3.307 . 0 0 "[ . 1 .]" 1
215 1 14 U H4' 1 14 U H6 . . 4.200 4.131 4.076 4.184 . 0 0 "[ . 1 .]" 1
216 1 14 U H3' 1 14 U H6 . . 2.900 2.640 2.475 2.740 . 0 0 "[ . 1 .]" 1
217 1 14 U H3' 1 15 A H8 . . 3.800 3.770 3.475 3.832 0.032 14 0 "[ . 1 .]" 1
218 1 14 U H1' 1 14 U H2' . . 2.900 2.776 2.734 2.802 . 0 0 "[ . 1 .]" 1
219 1 14 U H2' 1 14 U H6 . . 4.100 3.506 3.265 3.815 . 0 0 "[ . 1 .]" 1
220 1 14 U H2' 1 15 A H1' . . 3.800 3.854 3.822 3.871 0.071 10 0 "[ . 1 .]" 1
221 1 14 U H2' 1 15 A H8 . . 2.400 2.410 2.190 2.451 0.051 1 0 "[ . 1 .]" 1
222 1 14 U H1' 1 14 U H6 . . 4.200 3.681 3.625 3.723 . 0 0 "[ . 1 .]" 1
223 1 14 U H1' 1 15 A H8 . . 5.000 4.792 4.648 4.827 . 0 0 "[ . 1 .]" 1
224 1 14 U H5 1 14 U H6 . . 2.700 2.456 2.436 2.464 . 0 0 "[ . 1 .]" 1
225 1 15 A H4' 1 15 A H5'' . . 2.700 3.013 2.537 3.049 0.349 6 0 "[ . 1 .]" 1
226 1 15 A H3' 1 15 A H5'' . . 3.500 2.571 2.540 2.822 . 0 0 "[ . 1 .]" 1
227 1 15 A H5'' 1 15 A H8 . . 3.700 2.383 2.157 4.204 0.504 15 1 "[ . 1 +]" 1
228 1 15 A H3' 1 15 A H4' . . 3.300 3.021 3.012 3.025 . 0 0 "[ . 1 .]" 1
229 1 15 A H1' 1 15 A H4' . . 3.800 3.449 3.345 3.511 . 0 0 "[ . 1 .]" 1
230 1 15 A H2' 1 15 A H3' . . 2.700 2.403 2.385 2.410 . 0 0 "[ . 1 .]" 1
231 1 15 A H1' 1 15 A H3' . . 4.100 3.774 3.757 3.812 . 0 0 "[ . 1 .]" 1
232 1 15 A H3' 1 15 A H8 . . 3.200 2.927 2.811 3.204 0.004 12 0 "[ . 1 .]" 1
233 1 15 A H3' 1 16 C H5 . . 3.700 3.506 2.976 3.705 0.005 15 0 "[ . 1 .]" 1
234 1 15 A H3' 1 16 C H6 . . 3.500 3.018 2.843 3.403 . 0 0 "[ . 1 .]" 1
235 1 15 A H1' 1 15 A H2' . . 2.700 2.738 2.729 2.746 0.046 2 0 "[ . 1 .]" 1
236 1 15 A H2' 1 16 C H1' . . 4.000 3.991 3.874 4.044 0.044 2 0 "[ . 1 .]" 1
237 1 15 A H2' 1 16 C H5 . . 4.200 4.037 3.509 4.204 0.004 1 0 "[ . 1 .]" 1
238 1 15 A H2' 1 16 C H6 . . 2.500 2.432 2.202 2.515 0.015 2 0 "[ . 1 .]" 1
239 1 15 A H1' 1 15 A H8 . . 4.100 3.741 3.698 3.835 . 0 0 "[ . 1 .]" 1
240 1 15 A H1' 1 16 C H6 . . 5.100 4.978 4.873 5.076 . 0 0 "[ . 1 .]" 1
241 1 15 A H2 1 16 C H1' . . 3.700 3.496 3.297 3.715 0.015 12 0 "[ . 1 .]" 1
242 1 16 C H4' 1 16 C H5' . . 2.700 2.494 2.462 2.529 . 0 0 "[ . 1 .]" 1
243 1 16 C H5' 1 16 C H6 . . 4.700 3.691 3.580 3.796 . 0 0 "[ . 1 .]" 1
244 1 16 C H4' 1 16 C H5'' . . 2.500 2.442 2.420 2.480 . 0 0 "[ . 1 .]" 1
245 1 16 C H1' 1 16 C H5'' . . 5.200 5.202 5.191 5.207 0.007 13 0 "[ . 1 .]" 1
246 1 16 C H5'' 1 16 C H6 . . 3.800 4.076 4.035 4.105 0.305 5 0 "[ . 1 .]" 1
247 1 16 C H1' 1 16 C H4' . . 3.700 3.242 3.215 3.265 . 0 0 "[ . 1 .]" 1
248 1 16 C H4' 1 16 C H6 . . 4.000 4.057 4.037 4.087 0.087 1 0 "[ . 1 .]" 1
249 1 16 C H1' 1 16 C H3' . . 4.100 3.749 3.734 3.778 . 0 0 "[ . 1 .]" 1
250 1 16 C H3' 1 16 C H6 . . 2.600 2.379 2.319 2.499 . 0 0 "[ . 1 .]" 1
251 1 16 C H3' 1 17 G H8 . . 3.800 3.260 2.933 3.373 . 0 0 "[ . 1 .]" 1
252 1 16 C H1' 1 16 C H2' . . 2.800 2.735 2.714 2.748 . 0 0 "[ . 1 .]" 1
253 1 16 C H2' 1 16 C H6 . . 3.600 3.616 3.542 3.647 0.047 14 0 "[ . 1 .]" 1
254 1 16 C H2' 1 17 G H1' . . 4.100 4.125 4.093 4.166 0.066 14 0 "[ . 1 .]" 1
255 1 16 C H2' 1 17 G H8 . . 2.400 2.036 1.985 2.090 . 0 0 "[ . 1 .]" 1
256 1 16 C H1' 1 16 C H6 . . 3.900 3.664 3.644 3.685 . 0 0 "[ . 1 .]" 1
257 1 16 C H1' 1 17 G H8 . . 4.600 4.632 4.623 4.649 0.049 15 0 "[ . 1 .]" 1
258 1 16 C H5 1 16 C H6 . . 2.500 2.469 2.458 2.478 . 0 0 "[ . 1 .]" 1
259 1 17 G H5' 1 17 G H8 . . 4.300 3.888 3.852 3.912 . 0 0 "[ . 1 .]" 1
260 1 17 G H4' 1 17 G H5'' . . 2.900 2.478 2.460 2.495 . 0 0 "[ . 1 .]" 1
261 1 17 G H3' 1 17 G H5'' . . 3.300 2.918 2.884 2.953 . 0 0 "[ . 1 .]" 1
262 1 17 G H5'' 1 17 G H8 . . 3.800 4.236 4.195 4.268 0.468 14 0 "[ . 1 .]" 1
263 1 17 G H1' 1 17 G H4' . . 3.500 3.294 3.259 3.318 . 0 0 "[ . 1 .]" 1
264 1 17 G H1' 1 17 G H3' . . 4.000 3.762 3.753 3.771 . 0 0 "[ . 1 .]" 1
265 1 17 G H3' 1 17 G H8 . . 3.400 2.777 2.694 2.855 . 0 0 "[ . 1 .]" 1
266 1 17 G H3' 1 18 C H6 . . 3.400 3.226 3.045 3.356 . 0 0 "[ . 1 .]" 1
267 1 17 G H1' 1 17 G H2' . . 2.700 2.734 2.724 2.743 0.043 12 0 "[ . 1 .]" 1
268 1 17 G H2' 1 18 C H6 . . 2.400 2.261 2.169 2.332 . 0 0 "[ . 1 .]" 1
269 1 17 G H1' 1 17 G H8 . . 4.200 3.791 3.765 3.807 . 0 0 "[ . 1 .]" 1
270 1 17 G H1' 1 18 C H6 . . 4.900 4.874 4.753 4.922 0.022 12 0 "[ . 1 .]" 1
271 1 18 C H5' 1 18 C H5'' . . 2.400 1.774 1.771 1.777 . 0 0 "[ . 1 .]" 1
272 1 18 C H4' 1 18 C H5' . . 2.700 2.542 2.515 2.565 . 0 0 "[ . 1 .]" 1
273 1 18 C H5' 1 18 C H6 . . 4.500 3.595 3.551 3.635 . 0 0 "[ . 1 .]" 1
274 1 18 C H4' 1 18 C H5'' . . 2.700 2.396 2.378 2.416 . 0 0 "[ . 1 .]" 1
275 1 18 C H3' 1 18 C H5'' . . 3.400 3.160 3.123 3.186 . 0 0 "[ . 1 .]" 1
276 1 18 C H5'' 1 18 C H6 . . 4.300 4.064 4.037 4.122 . 0 0 "[ . 1 .]" 1
277 1 18 C H1' 1 18 C H4' . . 3.700 3.253 3.213 3.269 . 0 0 "[ . 1 .]" 1
278 1 18 C H4' 1 18 C H6 . . 4.000 4.013 4.002 4.029 0.029 9 0 "[ . 1 .]" 1
279 1 18 C H2' 1 18 C H3' . . 2.500 2.409 2.391 2.424 . 0 0 "[ . 1 .]" 1
280 1 18 C H1' 1 18 C H3' . . 3.700 3.706 3.698 3.718 0.018 10 0 "[ . 1 .]" 1
281 1 18 C H3' 1 18 C H5 . . 4.200 4.232 4.217 4.259 0.059 4 0 "[ . 1 .]" 1
282 1 18 C H3' 1 18 C H6 . . 2.600 2.228 2.196 2.308 . 0 0 "[ . 1 .]" 1
283 1 18 C H1' 1 18 C H2' . . 2.700 2.746 2.731 2.754 0.054 12 0 "[ . 1 .]" 1
284 1 18 C H2' 1 19 C H5' . . 3.300 2.646 2.480 2.714 . 0 0 "[ . 1 .]" 1
285 1 18 C H2' 1 19 C H5'' . . 3.900 3.980 3.924 4.004 0.104 15 0 "[ . 1 .]" 1
286 1 18 C H2' 1 19 C H6 . . 2.500 2.505 2.454 2.524 0.024 4 0 "[ . 1 .]" 1
287 1 18 C H1' 1 18 C H6 . . 3.600 3.654 3.636 3.660 0.060 9 0 "[ . 1 .]" 1
288 1 18 C H5 1 18 C H6 . . 2.500 2.441 2.427 2.454 . 0 0 "[ . 1 .]" 1
289 1 18 C H5 1 19 C H5 . . 3.400 3.352 2.915 3.431 0.031 14 0 "[ . 1 .]" 1
290 1 19 C H4' 1 19 C H5' . . 2.600 2.465 2.428 2.501 . 0 0 "[ . 1 .]" 1
291 1 19 C H3' 1 19 C H5' . . 3.500 3.741 3.698 3.758 0.258 14 0 "[ . 1 .]" 1
292 1 19 C H4' 1 19 C H5'' . . 2.500 2.410 2.379 2.456 . 0 0 "[ . 1 .]" 1
293 1 19 C H1' 1 19 C H4' . . 3.700 3.101 3.033 3.246 . 0 0 "[ . 1 .]" 1
294 1 19 C H4' 1 19 C H6 . . 3.900 4.022 3.987 4.040 0.140 6 0 "[ . 1 .]" 1
295 1 19 C H2' 1 19 C H3' . . 2.500 2.369 2.335 2.380 . 0 0 "[ . 1 .]" 1
296 1 19 C H1' 1 19 C H3' . . 4.200 3.895 3.882 3.904 . 0 0 "[ . 1 .]" 1
297 1 19 C H3' 1 19 C H5 . . 4.700 4.513 4.287 4.652 . 0 0 "[ . 1 .]" 1
298 1 19 C H3' 1 19 C H6 . . 2.700 2.529 2.442 2.722 0.022 4 0 "[ . 1 .]" 1
299 1 19 C H1' 1 19 C H2' . . 2.900 2.827 2.793 2.846 . 0 0 "[ . 1 .]" 1
300 1 19 C H2' 1 19 C H6 . . 3.500 3.383 3.292 3.551 0.051 4 0 "[ . 1 .]" 1
301 1 19 C H1' 1 19 C H6 . . 4.000 3.648 3.605 3.664 . 0 0 "[ . 1 .]" 1
302 1 19 C H5 1 19 C H6 . . 2.400 2.481 2.465 2.488 0.088 9 0 "[ . 1 .]" 1
303 1 2 G H1 1 3 C H1' . . 7.000 5.417 4.857 6.366 . 0 0 "[ . 1 .]" 1
304 1 2 G H1 1 18 C H41 . . 5.000 2.360 2.285 2.392 . 0 0 "[ . 1 .]" 1
305 1 2 G H1 1 18 C H42 . . 5.000 3.943 3.856 3.988 . 0 0 "[ . 1 .]" 1
306 1 2 G H1 1 19 C H1' . . 7.000 5.220 3.961 5.841 . 0 0 "[ . 1 .]" 1
307 1 3 C H41 1 17 G H1 . . 5.000 2.402 2.258 2.450 . 0 0 "[ . 1 .]" 1
308 1 3 C H42 1 17 G H1 . . 5.000 3.960 3.803 4.017 . 0 0 "[ . 1 .]" 1
309 1 4 G H1' 1 17 G H1 . . 7.000 4.876 4.452 5.893 . 0 0 "[ . 1 .]" 1
310 1 4 G H1 1 5 U H1' . . 7.000 5.295 5.052 5.610 . 0 0 "[ . 1 .]" 1
311 1 4 G H1 1 5 U H3 . . 5.000 3.273 3.213 3.449 . 0 0 "[ . 1 .]" 1
312 1 4 G H1 1 16 C H41 . . 5.000 2.426 2.410 2.447 . 0 0 "[ . 1 .]" 1
313 1 4 G H1 1 16 C H42 . . 5.000 3.984 3.950 4.008 . 0 0 "[ . 1 .]" 1
314 1 4 G H1 1 17 G H1' . . 7.000 5.137 4.767 5.515 . 0 0 "[ . 1 .]" 1
315 1 5 U H3 1 15 A H2 . . 5.000 2.846 2.722 2.935 . 0 0 "[ . 1 .]" 1
316 1 6 A H2 1 14 U H3 . . 5.000 2.773 2.666 2.882 . 0 0 "[ . 1 .]" 1
317 1 7 C H41 1 13 G H1 . . 5.000 2.353 2.198 2.499 . 0 0 "[ . 1 .]" 1
318 1 7 C H42 1 13 G H1 . . 5.000 3.910 3.760 4.059 . 0 0 "[ . 1 .]" 1
319 1 17 G H1 1 18 C H1' . . 7.000 5.599 5.267 5.922 . 0 0 "[ . 1 .]" 1
320 1 17 G H1 1 18 C H41 . . 5.000 3.244 3.205 3.309 . 0 0 "[ . 1 .]" 1
321 1 18 C H41 1 19 C H42 . . 5.000 2.902 2.155 4.168 . 0 0 "[ . 1 .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 28
_Distance_constraint_stats_list.Viol_count 45
_Distance_constraint_stats_list.Viol_total 219.710
_Distance_constraint_stats_list.Viol_max 0.832
_Distance_constraint_stats_list.Viol_rms 0.1411
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0349
_Distance_constraint_stats_list.Viol_average_violations_only 0.3255
_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 7 C 0.150 0.053 13 0 "[ . 1 .]"
1 8 G 0.151 0.060 4 0 "[ . 1 .]"
1 9 U 0.012 0.012 4 0 "[ . 1 .]"
1 10 U 2.273 0.401 1 0 "[ . 1 .]"
1 11 U 11.867 0.832 8 14 [**-*.**+*******]
1 12 C 13.542 0.832 8 14 [**-*.**+*******]
1 13 G 1.299 0.293 15 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 7 C H2' 1 8 G H3' . 3.000 . 4.203 3.793 4.646 . 0 0 "[ . 1 .]" 2
2 1 7 C H2' 1 11 U H5 . 3.000 . 4.735 2.947 7.450 0.053 13 0 "[ . 1 .]" 2
3 1 8 G H8 1 9 U H1' . 3.000 . 10.341 9.014 10.877 . 0 0 "[ . 1 .]" 2
4 1 8 G H8 1 9 U H5 . 3.000 . 7.044 5.194 7.632 . 0 0 "[ . 1 .]" 2
5 1 8 G H8 1 11 U H5 . 3.000 . 4.911 2.940 7.289 0.060 4 0 "[ . 1 .]" 2
6 1 9 U H3' 1 10 U H3' . 3.000 . 3.811 2.988 4.450 0.012 4 0 "[ . 1 .]" 2
7 1 9 U H2' 1 13 G H1' . 3.000 . 9.748 8.136 11.061 . 0 0 "[ . 1 .]" 2
8 1 10 U Q5' 1 12 C Q5' . 3.000 . 2.974 2.599 3.686 0.401 1 0 "[ . 1 .]" 2
9 1 10 U Q5' 1 12 C H4' . 3.000 . 4.818 4.091 5.695 . 0 0 "[ . 1 .]" 2
10 1 10 U Q5' 1 12 C H3' . 3.000 . 5.044 4.194 6.076 . 0 0 "[ . 1 .]" 2
11 1 10 U Q5' 1 12 C H6 . 3.000 . 6.111 5.748 6.710 . 0 0 "[ . 1 .]" 2
12 1 10 U H3' 1 11 U H2' . 3.000 . 4.088 3.395 5.133 . 0 0 "[ . 1 .]" 2
13 1 10 U H1' 1 13 G H4' . 3.000 . 4.137 2.975 5.166 0.025 5 0 "[ . 1 .]" 2
14 1 11 U Q5' 1 12 C Q5' . 3.000 . 2.282 2.168 2.502 0.832 8 14 [**-*.**+*******] 2
15 1 11 U Q5' 1 12 C H5 . 3.000 . 4.953 4.533 5.402 . 0 0 "[ . 1 .]" 2
16 1 11 U Q5' 1 12 C H6 . 3.000 . 3.682 3.464 3.963 . 0 0 "[ . 1 .]" 2
17 1 11 U Q5' 1 12 C H3' . 3.000 . 5.387 5.002 5.614 . 0 0 "[ . 1 .]" 2
18 1 11 U Q5' 1 13 G H1' . 3.000 . 3.900 2.707 5.462 0.293 15 0 "[ . 1 .]" 2
19 1 11 U H4' 1 12 C H5 . 3.000 . 3.304 2.976 3.727 0.024 5 0 "[ . 1 .]" 2
20 1 11 U H3' 1 12 C H2' . 3.000 . 5.383 5.183 5.514 . 0 0 "[ . 1 .]" 2
21 1 11 U H3' 1 12 C H5 . 3.000 . 5.439 5.262 5.586 . 0 0 "[ . 1 .]" 2
22 1 11 U H2' 1 12 C H5 . 3.000 . 6.262 6.085 6.403 . 0 0 "[ . 1 .]" 2
23 1 11 U H1' 1 12 C H2' . 3.000 . 6.988 6.847 7.114 . 0 0 "[ . 1 .]" 2
24 1 11 U H6 1 12 C H5 . 3.000 . 6.769 6.304 7.098 . 0 0 "[ . 1 .]" 2
25 1 12 C Q5' 1 13 G H8 . 3.000 . 4.187 3.902 4.594 . 0 0 "[ . 1 .]" 2
26 1 12 C H4' 1 13 G H1' . 3.000 . 3.484 2.974 3.984 0.026 5 0 "[ . 1 .]" 2
27 1 12 C H3' 1 13 G Q5' . 3.000 . 4.337 3.043 5.231 . 0 0 "[ . 1 .]" 2
28 1 12 C H1' 1 13 G Q5' . 3.000 . 4.194 2.800 5.776 0.200 8 0 "[ . 1 .]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 16
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 2 G 0.000 0.000 . 0 "[ . 1 .]"
1 3 C 0.000 0.000 . 0 "[ . 1 .]"
1 4 G 0.000 0.000 . 0 "[ . 1 .]"
1 5 U 0.000 0.000 . 0 "[ . 1 .]"
1 6 A 0.000 0.000 . 0 "[ . 1 .]"
1 7 C 0.000 0.000 . 0 "[ . 1 .]"
1 13 G 0.000 0.000 . 0 "[ . 1 .]"
1 14 U 0.000 0.000 . 0 "[ . 1 .]"
1 15 A 0.000 0.000 . 0 "[ . 1 .]"
1 16 C 0.000 0.000 . 0 "[ . 1 .]"
1 17 G 0.000 0.000 . 0 "[ . 1 .]"
1 18 C 0.000 0.000 . 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 2 G N2 1 18 C O2 . . 3.000 2.760 2.732 2.803 . 0 0 "[ . 1 .]" 3
2 1 2 G N1 1 18 C N3 . . 3.000 2.843 2.835 2.859 . 0 0 "[ . 1 .]" 3
3 1 2 G O6 1 18 C N4 . . 3.000 2.769 2.724 2.828 . 0 0 "[ . 1 .]" 3
4 1 3 C O2 1 17 G N2 . . 3.000 2.737 2.713 2.785 . 0 0 "[ . 1 .]" 3
5 1 3 C N3 1 17 G N1 . . 3.000 2.836 2.819 2.857 . 0 0 "[ . 1 .]" 3
6 1 3 C N4 1 17 G O6 . . 3.000 2.800 2.740 2.865 . 0 0 "[ . 1 .]" 3
7 1 4 G N2 1 16 C O2 . . 3.000 2.730 2.703 2.749 . 0 0 "[ . 1 .]" 3
8 1 4 G N1 1 16 C N3 . . 3.000 2.808 2.794 2.816 . 0 0 "[ . 1 .]" 3
9 1 4 G O6 1 16 C N4 . . 3.000 2.816 2.772 2.872 . 0 0 "[ . 1 .]" 3
10 1 5 U N3 1 15 A N1 . . 3.000 2.871 2.820 2.901 . 0 0 "[ . 1 .]" 3
11 1 5 U O4 1 15 A N6 . . 3.000 2.813 2.776 2.872 . 0 0 "[ . 1 .]" 3
12 1 6 A N1 1 14 U N3 . . 3.000 2.850 2.814 2.894 . 0 0 "[ . 1 .]" 3
13 1 6 A N6 1 14 U O4 . . 3.000 2.786 2.753 2.846 . 0 0 "[ . 1 .]" 3
14 1 7 C O2 1 13 G N2 . . 3.000 2.742 2.699 2.806 . 0 0 "[ . 1 .]" 3
15 1 7 C N3 1 13 G N1 . . 3.000 2.842 2.825 2.866 . 0 0 "[ . 1 .]" 3
16 1 7 C N4 1 13 G O6 . . 3.000 2.794 2.740 2.827 . 0 0 "[ . 1 .]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 6
_Distance_constraint_stats_list.Viol_count 90
_Distance_constraint_stats_list.Viol_total 240.034
_Distance_constraint_stats_list.Viol_max 0.431
_Distance_constraint_stats_list.Viol_rms 0.0892
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1778
_Distance_constraint_stats_list.Viol_average_violations_only 0.1778
_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 2 G 2.228 0.166 14 0 "[ . 1 .]"
1 3 C 2.726 0.230 2 0 "[ . 1 .]"
1 4 G 3.283 0.245 1 0 "[ . 1 .]"
1 5 U 0.907 0.209 15 0 "[ . 1 .]"
1 6 A 2.259 0.269 5 0 "[ . 1 .]"
1 7 C 4.600 0.431 5 0 "[ . 1 .]"
1 13 G 4.600 0.431 5 0 "[ . 1 .]"
1 14 U 2.259 0.269 5 0 "[ . 1 .]"
1 15 A 0.907 0.209 15 0 "[ . 1 .]"
1 16 C 3.283 0.245 1 0 "[ . 1 .]"
1 17 G 2.726 0.230 2 0 "[ . 1 .]"
1 18 C 2.228 0.166 14 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 2 G N9 1 18 C N1 . 9.100 . 8.951 8.934 8.981 0.166 14 0 "[ . 1 .]" 4
2 1 3 C N1 1 17 G N9 . 9.100 . 8.918 8.870 8.962 0.230 2 0 "[ . 1 .]" 4
3 1 4 G N9 1 16 C N1 . 9.100 . 8.881 8.855 8.912 0.245 1 0 "[ . 1 .]" 4
4 1 5 U N1 1 15 A N9 . 9.100 . 9.040 8.891 9.097 0.209 15 0 "[ . 1 .]" 4
5 1 6 A N9 1 14 U N1 . 9.100 . 8.949 8.831 9.035 0.269 5 0 "[ . 1 .]" 4
6 1 7 C N1 1 13 G N9 . 9.100 . 8.793 8.669 8.908 0.431 5 0 "[ . 1 .]" 4
stop_
save_
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