NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
393726 |
1qwa   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1qwa
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 483
_Distance_constraint_stats_list.Viol_count 1616
_Distance_constraint_stats_list.Viol_total 2749.057
_Distance_constraint_stats_list.Viol_max 0.838
_Distance_constraint_stats_list.Viol_rms 0.0728
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0197
_Distance_constraint_stats_list.Viol_average_violations_only 0.1001
_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 4.782 0.307 13 0 "[ . 1 . ]"
1 2 G 5.106 0.151 4 0 "[ . 1 . ]"
1 3 A 9.950 0.367 17 0 "[ . 1 . ]"
1 4 U 8.886 0.247 10 0 "[ . 1 . ]"
1 5 G 1.341 0.045 1 0 "[ . 1 . ]"
1 6 C 9.979 0.353 10 0 "[ . 1 . ]"
1 7 C 3.760 0.103 13 0 "[ . 1 . ]"
1 8 U 3.598 0.087 15 0 "[ . 1 . ]"
1 9 C 3.495 0.098 14 0 "[ . 1 . ]"
1 10 C 14.566 0.813 17 8 "[*** .*-* 1 * +]"
1 11 C 20.262 0.704 5 17 [****+****-*******]
1 12 G 5.729 0.180 9 0 "[ . 1 . ]"
1 13 A 4.146 0.550 14 1 "[ . 1 +. ]"
1 14 G 9.570 0.207 12 0 "[ . 1 . ]"
1 15 U 21.692 0.838 16 17 [-**************+*]
1 16 G 41.850 0.709 4 12 "[***+**** 1 ***-]"
1 17 C 7.368 0.199 15 0 "[ . 1 . ]"
1 18 A 1.915 0.076 1 0 "[ . 1 . ]"
1 19 U 9.541 0.242 13 0 "[ . 1 . ]"
1 20 C 1.448 0.083 15 0 "[ . 1 . ]"
1 21 C 2.104 0.124 9 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 H4' 1 1 G H8 7.000 4.500 7.000 4.439 4.421 4.469 0.079 12 0 "[ . 1 . ]" 1
2 1 1 G H3' 1 1 G H4' 3.000 . 3.000 2.991 2.732 3.026 0.026 8 0 "[ . 1 . ]" 1
3 1 1 G H2' 1 1 G Q5' 5.500 3.500 5.500 4.419 3.460 4.548 0.040 17 0 "[ . 1 . ]" 1
4 1 1 G H2' 1 1 G H4' 5.500 3.500 5.500 3.888 3.877 3.921 . 0 0 "[ . 1 . ]" 1
5 1 1 G H3' 1 1 G Q5' 4.500 3.000 4.500 2.924 2.693 2.957 0.307 13 0 "[ . 1 . ]" 1
6 1 1 G H4' 1 1 G Q5' 3.000 . 4.000 2.174 2.172 2.179 . 0 0 "[ . 1 . ]" 1
7 1 1 G Q5' 1 1 G H8 5.500 2.500 6.500 3.028 2.998 3.130 . 0 0 "[ . 1 . ]" 1
8 1 1 G H2' 1 1 G H3' 3.000 . 3.000 2.359 2.352 2.364 . 0 0 "[ . 1 . ]" 1
9 1 1 G H1' 1 1 G H4' 5.500 3.500 5.500 3.491 3.448 3.631 0.052 15 0 "[ . 1 . ]" 1
10 1 1 G H2' 1 1 G H5' 5.500 3.500 5.500 4.906 3.740 5.064 . 0 0 "[ . 1 . ]" 1
11 1 1 G H1' 1 1 G H3' 7.000 3.500 7.000 3.893 3.870 3.985 . 0 0 "[ . 1 . ]" 1
12 1 1 G H1' 1 1 G H2' 4.500 . 4.500 2.760 2.724 2.986 . 0 0 "[ . 1 . ]" 1
13 1 1 G H2' 1 1 G H8 4.500 3.000 4.500 4.196 4.027 4.275 . 0 0 "[ . 1 . ]" 1
14 1 1 G H5' 1 1 G H8 4.500 3.000 4.500 3.076 3.046 3.172 . 0 0 "[ . 1 . ]" 1
15 1 1 G H3' 1 1 G H8 5.500 3.500 5.500 3.805 3.492 5.367 0.008 15 0 "[ . 1 . ]" 1
16 1 1 G H1' 1 1 G H8 5.500 3.500 5.500 3.608 3.484 3.683 0.016 17 0 "[ . 1 . ]" 1
17 1 1 G H1' 1 1 G H5' 4.500 3.000 4.500 4.527 4.437 4.539 0.039 6 0 "[ . 1 . ]" 1
18 1 1 G H2' 1 1 G H5'' 5.500 3.500 5.500 5.021 4.076 5.150 . 0 0 "[ . 1 . ]" 1
19 1 1 G H1' 1 1 G H5'' 5.500 3.500 5.500 5.222 5.139 5.238 . 0 0 "[ . 1 . ]" 1
20 1 1 G H5'' 1 1 G H8 5.500 3.500 5.500 4.533 4.458 4.801 . 0 0 "[ . 1 . ]" 1
21 1 1 G H3' 1 2 G H8 5.500 3.500 5.500 3.628 3.510 3.767 . 0 0 "[ . 1 . ]" 1
22 1 1 G H2' 1 2 G H5'' 4.500 3.000 5.500 4.017 3.750 5.526 0.026 13 0 "[ . 1 . ]" 1
23 1 1 G H2' 1 2 G H3' 5.500 3.500 5.500 4.245 4.123 4.672 . 0 0 "[ . 1 . ]" 1
24 1 1 G H1 1 21 C H41 3.000 . 3.000 2.431 1.868 2.892 . 0 0 "[ . 1 . ]" 1
25 1 1 G H1 1 21 C H42 4.500 3.000 4.500 3.954 3.463 4.349 . 0 0 "[ . 1 . ]" 1
26 1 1 G H8 1 2 G H8 7.000 4.500 7.000 5.471 5.276 6.054 . 0 0 "[ . 1 . ]" 1
27 1 1 G H1' 1 2 G H5'' 5.500 3.500 5.500 5.434 5.211 5.512 0.012 7 0 "[ . 1 . ]" 1
28 1 2 G H3' 1 2 G H8 4.500 3.000 4.500 3.281 3.052 3.455 . 0 0 "[ . 1 . ]" 1
29 1 2 G H4' 1 2 G H8 7.000 4.500 7.000 4.447 4.432 4.475 0.068 13 0 "[ . 1 . ]" 1
30 1 2 G H1' 1 2 G H4' 7.000 3.500 7.000 3.372 3.349 3.386 0.151 4 0 "[ . 1 . ]" 1
31 1 2 G H4' 1 2 G Q5' 3.000 . 4.000 2.181 2.169 2.188 . 0 0 "[ . 1 . ]" 1
32 1 2 G H3' 1 2 G Q5' 3.000 . 4.000 2.860 2.789 2.941 . 0 0 "[ . 1 . ]" 1
33 1 2 G H1' 1 2 G H2' 4.500 . 4.500 2.807 2.797 2.828 . 0 0 "[ . 1 . ]" 1
34 1 2 G H1' 1 2 G H3' 4.500 3.000 4.500 3.962 3.948 3.986 . 0 0 "[ . 1 . ]" 1
35 1 2 G H2' 1 2 G H8 4.500 3.000 4.500 3.675 3.470 3.790 . 0 0 "[ . 1 . ]" 1
36 1 2 G H1' 1 2 G H8 5.500 3.500 5.500 3.799 3.769 3.848 . 0 0 "[ . 1 . ]" 1
37 1 2 G H5'' 1 2 G H8 4.500 3.000 4.500 4.464 4.433 4.505 0.005 4 0 "[ . 1 . ]" 1
38 1 2 G H1 1 2 G H21 3.000 . 3.000 2.220 2.217 2.225 . 0 0 "[ . 1 . ]" 1
39 1 2 G H5' 1 2 G H8 4.500 3.000 4.500 3.431 3.271 3.556 . 0 0 "[ . 1 . ]" 1
40 1 2 G H1 1 2 G H22 5.500 3.000 5.500 3.487 3.485 3.491 . 0 0 "[ . 1 . ]" 1
41 1 2 G H1' 1 2 G H5'' 5.500 3.500 5.500 5.212 5.193 5.224 . 0 0 "[ . 1 . ]" 1
42 1 2 G H1' 1 2 G H5' 5.500 3.500 5.500 4.612 4.543 4.652 . 0 0 "[ . 1 . ]" 1
43 1 1 G H2' 1 2 G H8 3.000 . 3.000 2.148 2.121 2.267 . 0 0 "[ . 1 . ]" 1
44 1 1 G H1' 1 2 G H8 4.500 3.000 4.500 4.501 3.898 4.588 0.088 11 0 "[ . 1 . ]" 1
45 1 1 G H2' 1 2 G H1' 7.000 4.500 7.000 5.229 5.002 6.095 . 0 0 "[ . 1 . ]" 1
46 1 2 G H1 1 21 C N4 5.500 2.500 6.500 4.571 4.402 5.061 . 0 0 "[ . 1 . ]" 1
47 1 2 G H1 1 3 A N6 5.500 2.500 6.500 4.935 4.748 5.058 . 0 0 "[ . 1 . ]" 1
48 1 2 G H1 1 20 C H41 3.000 . 3.000 2.971 2.620 3.020 0.020 15 0 "[ . 1 . ]" 1
49 1 2 G H1 1 20 C H42 4.500 3.000 4.500 4.406 4.118 4.449 . 0 0 "[ . 1 . ]" 1
50 1 2 G H1 1 3 A H2 5.500 3.500 5.500 5.077 4.874 5.196 . 0 0 "[ . 1 . ]" 1
51 1 2 G H1 1 20 C H5 5.500 3.500 5.500 5.220 5.092 5.243 . 0 0 "[ . 1 . ]" 1
52 1 2 G H1 1 21 C H41 5.500 3.500 5.500 4.896 4.731 5.277 . 0 0 "[ . 1 . ]" 1
53 1 2 G H1 1 21 C H1' 5.500 3.500 5.500 4.419 3.946 4.748 . 0 0 "[ . 1 . ]" 1
54 1 2 G H1 1 21 C H5 7.000 4.500 7.000 4.636 4.489 5.294 0.011 7 0 "[ . 1 . ]" 1
55 1 2 G H1 1 19 U H3 7.000 4.500 7.000 5.416 5.241 5.552 . 0 0 "[ . 1 . ]" 1
56 1 2 G H8 1 3 A H8 7.000 4.500 7.000 5.231 5.044 5.353 . 0 0 "[ . 1 . ]" 1
57 1 2 G H1' 1 3 A H5' 5.500 3.500 5.500 4.048 3.893 4.431 . 0 0 "[ . 1 . ]" 1
58 1 1 G H1' 1 2 G H5' 5.500 3.500 5.500 3.827 3.758 3.919 . 0 0 "[ . 1 . ]" 1
59 1 3 A H4' 1 3 A H8 5.500 3.500 5.500 4.718 4.670 4.752 . 0 0 "[ . 1 . ]" 1
60 1 3 A H3' 1 3 A Q5' 3.000 . 3.000 2.741 2.637 2.849 . 0 0 "[ . 1 . ]" 1
61 1 3 A H3' 1 3 A H8 3.000 2.500 3.500 3.522 3.508 3.535 0.035 5 0 "[ . 1 . ]" 1
62 1 3 A H1' 1 3 A H2' 4.500 3.000 4.500 2.947 2.936 2.956 0.064 13 0 "[ . 1 . ]" 1
63 1 3 A H1' 1 3 A H3' 5.500 3.500 5.500 3.908 3.901 3.916 . 0 0 "[ . 1 . ]" 1
64 1 3 A H5' 1 3 A H8 4.500 3.000 4.500 4.510 4.391 4.560 0.060 13 0 "[ . 1 . ]" 1
65 1 3 A H1' 1 3 A H8 5.500 3.500 5.500 3.842 3.818 3.858 . 0 0 "[ . 1 . ]" 1
66 1 3 A H2' 1 3 A H8 4.500 3.000 4.500 3.041 2.973 3.188 0.027 3 0 "[ . 1 . ]" 1
67 1 3 A H1' 1 3 A H5' 5.500 3.500 5.500 4.441 4.408 4.484 . 0 0 "[ . 1 . ]" 1
68 1 3 A H1' 1 3 A H5'' 4.500 3.000 4.500 4.833 4.801 4.867 0.367 17 0 "[ . 1 . ]" 1
69 1 3 A H1' 1 3 A H2 7.000 4.500 7.000 4.590 4.568 4.627 . 0 0 "[ . 1 . ]" 1
70 1 2 G H2' 1 3 A H1' 7.000 4.500 7.000 4.469 4.457 4.479 0.043 15 0 "[ . 1 . ]" 1
71 1 2 G H2' 1 3 A H8 3.000 . 3.000 2.938 2.652 3.026 0.026 7 0 "[ . 1 . ]" 1
72 1 3 A H2 1 4 U H1' 4.500 3.000 4.500 4.518 4.502 4.529 0.029 12 0 "[ . 1 . ]" 1
73 1 2 G H1' 1 3 A H8 7.000 4.500 7.000 5.595 5.191 5.715 . 0 0 "[ . 1 . ]" 1
74 1 2 G N2 1 3 A H2 7.000 3.500 8.000 5.223 5.029 5.394 . 0 0 "[ . 1 . ]" 1
75 1 3 A H8 1 4 U H6 7.000 4.500 7.000 5.743 5.619 5.870 . 0 0 "[ . 1 . ]" 1
76 1 3 A H1' 1 4 U H5 7.000 4.500 7.000 5.526 5.444 5.613 . 0 0 "[ . 1 . ]" 1
77 1 3 A H2 1 4 U H6 7.000 4.500 7.000 6.082 5.874 6.181 . 0 0 "[ . 1 . ]" 1
78 1 3 A H2 1 18 A H2 7.000 4.500 7.000 4.761 4.488 5.002 0.012 8 0 "[ . 1 . ]" 1
79 1 3 A H1' 1 4 U H1' 7.000 4.500 7.000 5.379 5.042 5.838 . 0 0 "[ . 1 . ]" 1
80 1 4 U H1' 1 4 U H2' 3.000 . 3.000 2.791 2.781 2.799 . 0 0 "[ . 1 . ]" 1
81 1 4 U H1' 1 4 U H3' 7.000 3.500 7.000 3.925 3.917 3.936 . 0 0 "[ . 1 . ]" 1
82 1 4 U H1' 1 4 U H4' 7.000 3.500 7.000 3.336 3.318 3.366 0.182 11 0 "[ . 1 . ]" 1
83 1 4 U H3' 1 4 U H5 7.000 4.500 7.000 4.635 4.525 4.746 . 0 0 "[ . 1 . ]" 1
84 1 4 U H1' 1 4 U H5 7.000 4.500 7.000 5.419 5.394 5.438 . 0 0 "[ . 1 . ]" 1
85 1 4 U H5 1 4 U H6 3.000 . 3.000 2.433 2.431 2.435 . 0 0 "[ . 1 . ]" 1
86 1 4 U H3' 1 4 U H6 3.000 . 3.000 2.578 2.396 2.756 . 0 0 "[ . 1 . ]" 1
87 1 4 U H5'' 1 4 U H6 5.500 3.500 5.500 3.906 3.651 4.167 . 0 0 "[ . 1 . ]" 1
88 1 4 U H1' 1 4 U H6 7.000 3.500 7.000 3.694 3.658 3.719 . 0 0 "[ . 1 . ]" 1
89 1 4 U H4' 1 4 U H6 4.500 3.000 4.500 4.112 4.070 4.137 . 0 0 "[ . 1 . ]" 1
90 1 4 U H1' 1 4 U H5'' 4.500 3.000 5.500 5.193 5.161 5.222 . 0 0 "[ . 1 . ]" 1
91 1 4 U H3' 1 5 G H8 4.500 3.000 4.500 3.858 3.779 3.938 . 0 0 "[ . 1 . ]" 1
92 1 3 A H3' 1 4 U H5 7.000 4.500 7.000 4.683 4.548 4.765 . 0 0 "[ . 1 . ]" 1
93 1 3 A H2' 1 4 U H1' 5.500 3.500 5.500 5.518 5.461 5.541 0.041 4 0 "[ . 1 . ]" 1
94 1 3 A H2' 1 4 U H5 4.500 3.000 4.500 2.960 2.949 2.980 0.051 13 0 "[ . 1 . ]" 1
95 1 3 A H2' 1 4 U H6 3.000 . 3.000 2.824 2.700 2.928 . 0 0 "[ . 1 . ]" 1
96 1 3 A H3' 1 4 U H6 5.500 3.500 5.500 4.450 4.371 4.498 . 0 0 "[ . 1 . ]" 1
97 1 4 U H3 1 17 C N4 7.000 3.500 8.000 5.391 5.044 5.666 . 0 0 "[ . 1 . ]" 1
98 1 4 U H3 1 18 A H2 3.000 . 3.000 2.912 2.584 3.019 0.019 8 0 "[ . 1 . ]" 1
99 1 4 U H3 1 18 A H61 3.000 . 3.000 2.256 2.087 2.628 . 0 0 "[ . 1 . ]" 1
100 1 4 U H3 1 18 A H62 4.500 3.000 4.500 3.775 3.613 4.089 . 0 0 "[ . 1 . ]" 1
101 1 3 A H2 1 4 U H3 5.500 3.500 5.500 4.735 4.627 4.849 . 0 0 "[ . 1 . ]" 1
102 1 4 U H3 1 4 U H5 7.000 4.500 7.000 4.256 4.253 4.258 0.247 10 0 "[ . 1 . ]" 1
103 1 4 U H3 1 19 U H1' 7.000 4.500 7.000 6.866 6.684 7.020 0.020 11 0 "[ . 1 . ]" 1
104 1 4 U H3 1 5 G H1' 7.000 4.500 7.000 6.602 6.302 6.826 . 0 0 "[ . 1 . ]" 1
105 1 4 U H3 1 19 U H3 5.500 3.500 5.500 4.523 4.277 4.698 . 0 0 "[ . 1 . ]" 1
106 1 3 A H8 1 4 U H5 5.500 3.500 5.500 4.955 4.865 5.086 . 0 0 "[ . 1 . ]" 1
107 1 4 U H5 1 4 U H5'' 7.000 4.500 7.000 6.134 5.813 6.442 . 0 0 "[ . 1 . ]" 1
108 1 4 U H6 1 5 G H8 7.000 4.500 7.000 5.512 5.314 5.680 . 0 0 "[ . 1 . ]" 1
109 1 3 A H1' 1 4 U H6 7.000 4.500 7.000 4.605 4.490 4.782 0.010 15 0 "[ . 1 . ]" 1
110 1 5 G H1' 1 5 G H3' 3.000 . 4.000 3.891 3.874 3.903 . 0 0 "[ . 1 . ]" 1
111 1 5 G Q5' 1 5 G H8 5.500 2.500 6.500 3.024 2.937 3.107 . 0 0 "[ . 1 . ]" 1
112 1 5 G H1' 1 5 G H2' 4.500 . 4.500 2.716 2.702 2.731 . 0 0 "[ . 1 . ]" 1
113 1 5 G H1' 1 5 G H4' 4.500 3.000 4.500 3.608 3.568 3.645 . 0 0 "[ . 1 . ]" 1
114 1 5 G H3' 1 5 G H8 3.000 . 4.000 2.680 2.417 2.769 . 0 0 "[ . 1 . ]" 1
115 1 5 G H5'' 1 5 G H8 4.500 3.000 4.500 3.326 3.169 3.416 . 0 0 "[ . 1 . ]" 1
116 1 5 G H1' 1 5 G H8 7.000 3.500 7.000 3.814 3.799 3.844 . 0 0 "[ . 1 . ]" 1
117 1 5 G H1 1 5 G H22 4.500 3.000 4.500 3.484 3.482 3.486 . 0 0 "[ . 1 . ]" 1
118 1 5 G H1 1 5 G H21 4.500 . 4.500 2.217 2.214 2.219 . 0 0 "[ . 1 . ]" 1
119 1 5 G H1' 1 5 G H5'' 7.000 4.500 7.000 5.189 5.145 5.264 . 0 0 "[ . 1 . ]" 1
120 1 4 U H1' 1 5 G H8 4.500 3.000 4.500 4.528 4.503 4.542 0.042 8 0 "[ . 1 . ]" 1
121 1 5 G H1' 1 6 C H6 7.000 3.500 7.000 5.537 5.473 5.579 . 0 0 "[ . 1 . ]" 1
122 1 5 G H1 1 18 A N6 5.500 4.500 6.500 4.715 4.487 4.974 0.013 6 0 "[ . 1 . ]" 1
123 1 5 G H1 1 17 C H41 3.000 . 3.000 1.769 1.756 1.840 . 0 0 "[ . 1 . ]" 1
124 1 5 G H1 1 17 C H42 4.500 3.000 4.500 3.361 3.342 3.430 . 0 0 "[ . 1 . ]" 1
125 1 5 G H1 1 6 C H1' 5.500 3.500 5.500 5.435 5.321 5.540 0.040 4 0 "[ . 1 . ]" 1
126 1 5 G H1 1 17 C H5 7.000 4.500 7.000 4.637 4.619 4.688 . 0 0 "[ . 1 . ]" 1
127 1 5 G H1 1 18 A H2 7.000 4.500 7.000 5.147 4.749 5.444 . 0 0 "[ . 1 . ]" 1
128 1 5 G H1 1 18 A H62 7.000 3.500 7.000 5.095 4.788 5.437 . 0 0 "[ . 1 . ]" 1
129 1 5 G H1 1 16 G H1 5.500 3.500 5.500 4.974 4.790 5.178 . 0 0 "[ . 1 . ]" 1
130 1 4 U H3 1 5 G H1 7.000 4.500 7.000 4.745 4.637 4.900 . 0 0 "[ . 1 . ]" 1
131 1 5 G H1' 1 6 C H5'' 5.500 3.500 6.500 5.545 5.490 5.627 . 0 0 "[ . 1 . ]" 1
132 1 5 G H1' 1 6 C H1' 7.000 4.500 7.000 5.848 5.369 6.026 . 0 0 "[ . 1 . ]" 1
133 1 5 G H1' 1 6 C H5 7.000 4.500 7.000 6.984 6.835 7.016 0.016 10 0 "[ . 1 . ]" 1
134 1 4 U H1' 1 5 G H1' 7.000 4.500 7.000 5.511 5.056 6.211 . 0 0 "[ . 1 . ]" 1
135 1 6 C H2' 1 6 C H6 3.000 . 4.000 3.004 2.861 3.098 . 0 0 "[ . 1 . ]" 1
136 1 6 C H4' 1 6 C H6 4.500 3.000 4.500 4.375 4.362 4.406 . 0 0 "[ . 1 . ]" 1
137 1 6 C Q5' 1 6 C H6 7.000 3.500 7.000 4.045 4.036 4.060 . 0 0 "[ . 1 . ]" 1
138 1 6 C H1' 1 6 C H2' 5.500 2.500 5.500 2.938 2.925 2.948 . 0 0 "[ . 1 . ]" 1
139 1 6 C H1' 1 6 C H5' 4.500 3.000 4.500 4.527 4.517 4.534 0.034 8 0 "[ . 1 . ]" 1
140 1 6 C H1' 1 6 C H6 7.000 3.500 7.000 3.653 3.644 3.675 . 0 0 "[ . 1 . ]" 1
141 1 6 C H5' 1 6 C H6 4.500 3.000 4.500 4.521 4.492 4.537 0.037 7 0 "[ . 1 . ]" 1
142 1 6 C H5 1 6 C H6 3.000 . 3.000 2.454 2.452 2.457 . 0 0 "[ . 1 . ]" 1
143 1 6 C H3' 1 6 C H6 4.500 3.000 4.500 3.266 3.194 3.312 . 0 0 "[ . 1 . ]" 1
144 1 6 C H5'' 1 6 C H6 4.500 3.000 4.500 4.560 4.533 4.586 0.086 9 0 "[ . 1 . ]" 1
145 1 6 C H3' 1 6 C H5 4.500 3.000 5.500 5.484 5.381 5.538 0.038 15 0 "[ . 1 . ]" 1
146 1 6 C H1' 1 6 C H5'' 4.500 3.000 4.500 4.841 4.836 4.853 0.353 10 0 "[ . 1 . ]" 1
147 1 5 G H2' 1 6 C H5 5.500 3.500 5.500 4.832 4.747 4.924 . 0 0 "[ . 1 . ]" 1
148 1 5 G H2' 1 6 C H6 3.000 . 3.000 3.027 3.017 3.045 0.045 1 0 "[ . 1 . ]" 1
149 1 6 C H6 1 7 C H5 7.000 4.500 7.000 4.800 4.495 5.231 0.005 13 0 "[ . 1 . ]" 1
150 1 6 C H1' 1 7 C H6 7.000 3.500 7.000 5.085 4.759 5.454 . 0 0 "[ . 1 . ]" 1
151 1 5 G H2' 1 6 C H1' 4.500 3.000 4.500 4.453 4.172 4.532 0.032 5 0 "[ . 1 . ]" 1
152 1 5 G H8 1 6 C H6 5.500 3.500 5.500 5.319 5.090 5.410 . 0 0 "[ . 1 . ]" 1
153 1 5 G H8 1 6 C H5 7.000 4.500 7.000 5.504 5.217 5.635 . 0 0 "[ . 1 . ]" 1
154 1 6 C H6 1 7 C H6 7.000 4.500 7.000 5.307 4.984 5.537 . 0 0 "[ . 1 . ]" 1
155 1 7 C H3' 1 7 C H5 7.000 4.500 7.000 4.733 4.439 4.999 0.061 4 0 "[ . 1 . ]" 1
156 1 7 C H1' 1 7 C H4' 4.500 3.000 4.500 3.173 3.018 3.418 . 0 0 "[ . 1 . ]" 1
157 1 7 C H4' 1 7 C H6 3.000 . 4.500 4.162 3.957 4.259 . 0 0 "[ . 1 . ]" 1
158 1 7 C H2' 1 7 C Q5' 3.000 . 5.000 4.391 4.375 4.407 . 0 0 "[ . 1 . ]" 1
159 1 7 C H2' 1 7 C H3' 3.000 . 3.000 2.354 2.341 2.366 . 0 0 "[ . 1 . ]" 1
160 1 7 C H1' 1 7 C H2' 4.500 . 4.500 2.808 2.748 2.844 . 0 0 "[ . 1 . ]" 1
161 1 7 C H1' 1 7 C H3' 5.500 3.500 5.500 3.887 3.873 3.903 . 0 0 "[ . 1 . ]" 1
162 1 7 C H3' 1 7 C H6 3.000 . 3.000 2.711 2.447 3.006 0.006 12 0 "[ . 1 . ]" 1
163 1 7 C H5 1 7 C H6 3.000 . 3.000 2.453 2.452 2.461 . 0 0 "[ . 1 . ]" 1
164 1 7 C H5'' 1 7 C H6 4.500 3.000 4.500 3.921 3.380 4.265 . 0 0 "[ . 1 . ]" 1
165 1 7 C H1' 1 7 C H6 5.500 3.500 5.500 3.651 3.598 3.687 . 0 0 "[ . 1 . ]" 1
166 1 7 C H2' 1 7 C H6 4.500 3.000 4.500 3.442 3.271 3.607 . 0 0 "[ . 1 . ]" 1
167 1 7 C H1' 1 7 C H5'' 4.500 3.000 5.500 5.119 5.074 5.161 . 0 0 "[ . 1 . ]" 1
168 1 7 C H5 1 7 C H5'' 7.000 4.500 7.000 6.179 5.545 6.557 . 0 0 "[ . 1 . ]" 1
169 1 6 C H3' 1 7 C H5 5.500 3.500 5.500 4.481 3.948 4.715 . 0 0 "[ . 1 . ]" 1
170 1 6 C H2' 1 7 C H5 4.500 3.000 4.500 3.334 3.015 3.795 . 0 0 "[ . 1 . ]" 1
171 1 6 C H2' 1 7 C H6 3.000 . 3.000 2.558 2.211 2.800 . 0 0 "[ . 1 . ]" 1
172 1 6 C H3' 1 7 C H6 4.500 4.000 5.000 3.943 3.897 3.990 0.103 13 0 "[ . 1 . ]" 1
173 1 6 C N4 1 7 C H42 5.500 4.500 6.500 5.104 4.501 5.613 . 0 0 "[ . 1 . ]" 1
174 1 7 C H42 1 13 A N6 7.000 3.500 8.000 7.020 6.118 7.808 . 0 0 "[ . 1 . ]" 1
175 1 7 C H41 1 13 A N6 7.000 3.500 8.000 6.196 5.247 6.971 . 0 0 "[ . 1 . ]" 1
176 1 6 C H2' 1 7 C H1' 4.500 3.000 4.500 4.474 4.166 4.555 0.055 10 0 "[ . 1 . ]" 1
177 1 6 C H5 1 7 C H5 5.500 3.500 5.500 5.128 4.575 5.514 0.014 3 0 "[ . 1 . ]" 1
178 1 8 U H1' 1 8 U H2' 3.000 . 3.000 2.741 2.732 2.752 . 0 0 "[ . 1 . ]" 1
179 1 8 U H3' 1 8 U H6 3.000 . 3.000 2.727 2.590 2.839 . 0 0 "[ . 1 . ]" 1
180 1 8 U H1' 1 8 U H3' 3.000 . 4.000 3.879 3.862 3.898 . 0 0 "[ . 1 . ]" 1
181 1 8 U H3' 1 8 U H5 4.500 3.000 4.500 4.510 4.424 4.549 0.049 2 0 "[ . 1 . ]" 1
182 1 8 U H1' 1 8 U H4' 5.500 3.500 5.500 3.450 3.413 3.501 0.087 15 0 "[ . 1 . ]" 1
183 1 8 U H1' 1 8 U H6 5.500 3.500 5.500 3.621 3.586 3.651 . 0 0 "[ . 1 . ]" 1
184 1 8 U H5 1 8 U H6 3.000 . 3.000 2.430 2.426 2.433 . 0 0 "[ . 1 . ]" 1
185 1 8 U H1' 1 8 U H5'' 4.500 3.000 5.500 5.173 5.160 5.182 . 0 0 "[ . 1 . ]" 1
186 1 8 U H3' 1 9 C H5 3.000 . 3.000 3.032 3.010 3.059 0.059 6 0 "[ . 1 . ]" 1
187 1 7 C H2' 1 8 U H5 5.500 3.500 5.500 3.466 3.424 3.506 0.076 3 0 "[ . 1 . ]" 1
188 1 8 U H3' 1 9 C H6 3.000 . 3.000 2.871 2.821 2.917 . 0 0 "[ . 1 . ]" 1
189 1 7 C H2' 1 8 U H1' 7.000 4.500 7.000 4.478 4.442 4.568 0.058 6 0 "[ . 1 . ]" 1
190 1 8 U H1' 1 9 C H6 5.500 3.500 5.500 4.911 4.828 5.026 . 0 0 "[ . 1 . ]" 1
191 1 7 C H2' 1 8 U H6 3.000 . 3.000 2.555 2.238 2.958 . 0 0 "[ . 1 . ]" 1
192 1 7 C H6 1 8 U H5 5.500 3.500 5.500 5.403 4.883 5.554 0.054 3 0 "[ . 1 . ]" 1
193 1 8 U H1' 1 9 C H5 7.000 4.500 7.000 5.599 5.417 5.973 . 0 0 "[ . 1 . ]" 1
194 1 9 C H2' 1 9 C H4' 4.500 3.000 4.500 3.990 3.977 3.997 . 0 0 "[ . 1 . ]" 1
195 1 9 C H3' 1 9 C H6 7.000 3.500 7.000 3.491 3.445 3.829 0.055 3 0 "[ . 1 . ]" 1
196 1 9 C H2' 1 9 C H3' 3.000 . 3.000 2.298 2.295 2.308 . 0 0 "[ . 1 . ]" 1
197 1 9 C H3' 1 9 C H4' 3.000 . 3.000 2.950 2.875 2.978 . 0 0 "[ . 1 . ]" 1
198 1 9 C H1' 1 9 C H2' 4.500 3.000 4.500 2.929 2.902 2.968 0.098 14 0 "[ . 1 . ]" 1
199 1 9 C H5 1 9 C H6 3.000 . 3.000 2.445 2.443 2.447 . 0 0 "[ . 1 . ]" 1
200 1 9 C H2' 1 9 C H6 4.500 3.000 4.500 3.125 2.964 3.376 0.036 4 0 "[ . 1 . ]" 1
201 1 9 C H2' 1 9 C H5 7.000 4.500 7.000 4.714 4.616 4.886 . 0 0 "[ . 1 . ]" 1
202 1 8 U H5 1 9 C H5 5.500 3.500 5.500 3.492 3.452 3.886 0.048 13 0 "[ . 1 . ]" 1
203 1 9 C H2' 1 10 C H6 7.000 4.500 7.000 4.611 4.481 4.902 0.019 15 0 "[ . 1 . ]" 1
204 1 9 C H2' 1 10 C H4' 7.000 4.500 7.000 5.292 5.108 5.619 . 0 0 "[ . 1 . ]" 1
205 1 9 C H2' 1 11 C H6 7.000 4.500 7.000 4.826 4.499 5.472 0.001 1 0 "[ . 1 . ]" 1
206 1 9 C H3' 1 10 C H6 7.000 4.500 7.000 4.531 4.463 4.673 0.037 3 0 "[ . 1 . ]" 1
207 1 8 U H2' 1 9 C H5 5.500 3.500 5.500 3.642 3.492 3.861 0.008 12 0 "[ . 1 . ]" 1
208 1 8 U H2' 1 9 C H6 3.000 . 3.000 2.235 2.179 2.352 . 0 0 "[ . 1 . ]" 1
209 1 8 U H5'' 1 9 C H6 4.500 3.000 6.500 5.258 5.205 5.315 . 0 0 "[ . 1 . ]" 1
210 1 8 U H6 1 9 C H5 5.500 3.500 5.500 3.621 3.521 3.873 . 0 0 "[ . 1 . ]" 1
211 1 8 U H6 1 9 C H6 7.000 4.500 7.000 4.628 4.474 4.768 0.026 1 0 "[ . 1 . ]" 1
212 1 9 C H6 1 10 C H6 7.000 4.500 7.000 7.015 6.990 7.031 0.031 3 0 "[ . 1 . ]" 1
213 1 10 C H2' 1 10 C H5 7.000 4.500 7.000 4.513 4.447 4.572 0.053 4 0 "[ . 1 . ]" 1
214 1 10 C H1' 1 10 C H3' 7.000 3.500 7.000 3.937 3.916 3.977 . 0 0 "[ . 1 . ]" 1
215 1 10 C H3' 1 10 C H4' 4.500 3.000 4.500 2.803 2.775 2.841 0.225 5 0 "[ . 1 . ]" 1
216 1 10 C H4' 1 10 C Q5' 3.000 . 3.000 2.279 2.178 2.417 . 0 0 "[ . 1 . ]" 1
217 1 10 C H1' 1 10 C H4' 5.500 3.500 5.500 3.465 3.384 3.598 0.116 4 0 "[ . 1 . ]" 1
218 1 10 C H1' 1 10 C H2' 4.500 2.500 4.500 3.007 2.992 3.013 . 0 0 "[ . 1 . ]" 1
219 1 10 C H2' 1 10 C H6 3.000 . 3.000 2.662 2.545 2.739 . 0 0 "[ . 1 . ]" 1
220 1 10 C H5 1 10 C H6 4.500 2.500 4.500 2.458 2.454 2.467 0.046 11 0 "[ . 1 . ]" 1
221 1 10 C H1' 1 10 C H6 5.500 3.500 5.500 3.708 3.699 3.723 . 0 0 "[ . 1 . ]" 1
222 1 10 C H3' 1 10 C H6 5.500 3.500 5.500 4.119 3.929 4.210 . 0 0 "[ . 1 . ]" 1
223 1 10 C Q5' 1 10 C H6 4.500 3.000 4.500 2.588 2.187 3.266 0.813 17 8 "[*** .*-* 1 * +]" 1
224 1 10 C H4' 1 10 C H6 5.500 3.500 5.500 4.212 4.050 4.319 . 0 0 "[ . 1 . ]" 1
225 1 10 C H1' 1 10 C H5'' 7.000 4.500 7.000 4.467 4.298 4.932 0.202 17 0 "[ . 1 . ]" 1
226 1 9 C H4' 1 10 C H6 4.500 3.000 5.500 4.256 4.020 4.662 . 0 0 "[ . 1 . ]" 1
227 1 10 C H4' 1 11 C H6 7.000 4.500 7.000 4.940 4.692 5.084 . 0 0 "[ . 1 . ]" 1
228 1 9 C H2' 1 10 C H2' 4.500 3.000 5.500 4.288 3.784 5.514 0.014 4 0 "[ . 1 . ]" 1
229 1 10 C Q5' 1 11 C H5 5.500 2.500 6.500 3.736 2.774 4.189 . 0 0 "[ . 1 . ]" 1
230 1 9 C H5' 1 10 C H5 5.500 3.500 6.500 6.331 5.923 6.489 . 0 0 "[ . 1 . ]" 1
231 1 9 C H4' 1 10 C H5 5.500 3.500 6.500 4.166 3.803 4.289 . 0 0 "[ . 1 . ]" 1
232 1 9 C Q5' 1 10 C H5 4.500 . 6.500 5.625 5.316 5.772 . 0 0 "[ . 1 . ]" 1
233 1 10 C H4' 1 11 C H5 4.500 3.000 5.500 5.317 4.928 5.511 0.011 13 0 "[ . 1 . ]" 1
234 1 10 C H3' 1 11 C Q5' 5.500 2.500 6.500 3.250 2.347 3.642 0.153 1 0 "[ . 1 . ]" 1
235 1 11 C H4' 1 11 C H6 4.500 3.000 4.500 4.144 4.112 4.178 . 0 0 "[ . 1 . ]" 1
236 1 11 C H1' 1 11 C H6 7.000 3.500 7.000 3.665 3.642 3.679 . 0 0 "[ . 1 . ]" 1
237 1 11 C H1' 1 11 C H4' 7.000 3.500 7.000 3.463 3.441 3.480 0.059 4 0 "[ . 1 . ]" 1
238 1 11 C H1' 1 11 C H3' 7.000 3.500 7.000 3.911 3.848 3.948 . 0 0 "[ . 1 . ]" 1
239 1 11 C H3' 1 11 C H4' 3.000 . 3.000 2.761 2.740 2.780 . 0 0 "[ . 1 . ]" 1
240 1 11 C H2' 1 11 C H6 3.000 . 3.000 2.942 2.872 3.031 0.031 6 0 "[ . 1 . ]" 1
241 1 11 C H2' 1 11 C Q5' 4.500 . 5.500 3.455 3.349 3.546 . 0 0 "[ . 1 . ]" 1
242 1 11 C H2' 1 11 C H3' 3.000 . 3.000 2.381 2.361 2.410 . 0 0 "[ . 1 . ]" 1
243 1 11 C H1' 1 11 C H2' 4.500 3.000 4.500 3.016 3.006 3.029 . 0 0 "[ . 1 . ]" 1
244 1 11 C H4' 1 11 C Q5' 3.000 . 3.000 2.195 2.192 2.198 . 0 0 "[ . 1 . ]" 1
245 1 11 C H3' 1 11 C Q5' . 3.000 4.000 2.368 2.296 2.466 0.704 5 17 [-***+************] 1
246 1 11 C Q5' 1 11 C H6 7.000 3.500 7.000 3.052 2.951 3.132 0.549 1 3 "[+ . * - . ]" 1
247 1 11 C H2' 1 11 C H5 7.000 4.500 7.000 4.684 4.637 4.742 . 0 0 "[ . 1 . ]" 1
248 1 11 C H5 1 11 C H6 4.500 . 4.500 2.451 2.448 2.453 . 0 0 "[ . 1 . ]" 1
249 1 11 C H3' 1 11 C H6 5.500 3.000 5.500 4.378 4.244 4.536 . 0 0 "[ . 1 . ]" 1
250 1 11 C H2' 1 11 C H4' 3.000 . 4.000 3.878 3.830 3.912 . 0 0 "[ . 1 . ]" 1
251 1 11 C H3' 1 11 C H5 7.000 4.500 7.000 6.597 6.461 6.772 . 0 0 "[ . 1 . ]" 1
252 1 11 C H4' 1 12 G H3' 3.000 . 4.500 4.499 4.246 4.550 0.050 16 0 "[ . 1 . ]" 1
253 1 9 C H3' 1 11 C H5 7.000 4.000 7.000 5.428 4.652 6.408 . 0 0 "[ . 1 . ]" 1
254 1 9 C H2' 1 11 C H5 4.500 2.500 4.500 3.427 2.642 4.231 . 0 0 "[ . 1 . ]" 1
255 1 10 C H2' 1 11 C H5 5.500 3.500 5.500 4.931 4.697 5.284 . 0 0 "[ . 1 . ]" 1
256 1 10 C H3' 1 11 C H5 4.500 3.000 4.500 3.127 2.988 3.487 0.012 7 0 "[ . 1 . ]" 1
257 1 10 C H3' 1 11 C H6 3.000 . 3.000 2.490 2.194 2.722 . 0 0 "[ . 1 . ]" 1
258 1 10 C Q5' 1 11 C H6 5.500 3.500 5.500 4.194 3.282 4.521 0.218 1 0 "[ . 1 . ]" 1
259 1 10 C H2' 1 11 C H6 5.500 3.500 5.500 3.909 3.589 4.167 . 0 0 "[ . 1 . ]" 1
260 1 10 C H4' 1 11 C H4' 7.000 4.500 7.000 6.895 6.802 7.040 0.040 4 0 "[ . 1 . ]" 1
261 1 10 C H6 1 11 C H6 7.000 4.500 7.000 6.237 5.526 6.556 . 0 0 "[ . 1 . ]" 1
262 1 11 C H41 1 12 G H21 5.500 3.500 7.000 5.495 5.062 5.720 . 0 0 "[ . 1 . ]" 1
263 1 11 C H42 1 12 G H22 5.500 3.500 7.000 6.968 6.594 7.038 0.038 16 0 "[ . 1 . ]" 1
264 1 11 C H41 1 12 G H22 5.500 3.500 7.000 6.603 6.167 6.881 . 0 0 "[ . 1 . ]" 1
265 1 11 C H42 1 12 G H21 5.500 3.500 7.000 5.666 5.250 5.785 . 0 0 "[ . 1 . ]" 1
266 1 12 G H4' 1 12 G H8 7.000 4.500 7.000 5.606 5.465 5.726 . 0 0 "[ . 1 . ]" 1
267 1 12 G Q5' 1 12 G H8 . 4.500 6.500 5.382 4.892 5.631 . 0 0 "[ . 1 . ]" 1
268 1 12 G H2' 1 12 G H4' 3.000 . 4.000 3.949 3.923 3.983 . 0 0 "[ . 1 . ]" 1
269 1 12 G H4' 1 12 G Q5' 3.000 . 4.000 2.389 2.335 2.494 . 0 0 "[ . 1 . ]" 1
270 1 12 G H1' 1 12 G H4' 5.500 3.500 5.500 3.403 3.331 3.449 0.169 4 0 "[ . 1 . ]" 1
271 1 12 G H2' 1 12 G Q5' 5.500 3.500 6.500 3.936 3.875 4.005 . 0 0 "[ . 1 . ]" 1
272 1 12 G H2' 1 12 G H3' 3.000 . 3.000 2.325 2.308 2.333 . 0 0 "[ . 1 . ]" 1
273 1 12 G H1' 1 12 G H2' 4.500 3.000 4.500 2.830 2.820 2.840 0.180 9 0 "[ . 1 . ]" 1
274 1 12 G H2' 1 12 G H8 4.500 3.000 4.500 4.197 3.893 4.394 . 0 0 "[ . 1 . ]" 1
275 1 12 G H1' 1 12 G H8 3.000 . 3.000 2.580 2.537 2.642 . 0 0 "[ . 1 . ]" 1
276 1 12 G H3' 1 12 G Q5' 3.000 . 4.000 2.217 2.142 2.235 . 0 0 "[ . 1 . ]" 1
277 1 12 G H3' 1 12 G H4' 3.000 . 4.000 3.004 2.989 3.018 . 0 0 "[ . 1 . ]" 1
278 1 12 G H3' 1 12 G H8 5.500 3.500 5.500 5.508 5.444 5.543 0.043 7 0 "[ . 1 . ]" 1
279 1 12 G H1' 1 12 G H3' 4.500 3.000 4.500 3.973 3.963 3.996 . 0 0 "[ . 1 . ]" 1
280 1 12 G H1' 1 12 G Q5' 5.500 3.500 5.500 4.278 4.120 4.334 . 0 0 "[ . 1 . ]" 1
281 1 12 G H2' 1 13 A H2' 7.000 4.500 7.000 5.089 4.768 5.548 . 0 0 "[ . 1 . ]" 1
282 1 11 C H4' 1 12 G H4' 5.500 3.500 5.500 4.654 4.343 4.814 . 0 0 "[ . 1 . ]" 1
283 1 11 C H4' 1 12 G Q5' 3.000 . 4.000 2.155 2.045 2.181 . 0 0 "[ . 1 . ]" 1
284 1 11 C H4' 1 12 G H8 7.000 4.500 7.000 6.293 5.457 6.793 . 0 0 "[ . 1 . ]" 1
285 1 11 C H4' 1 12 G H1' 7.000 4.500 7.000 5.857 4.755 6.481 . 0 0 "[ . 1 . ]" 1
286 1 12 G H8 1 13 A H8 7.000 4.500 7.500 7.305 6.784 7.530 0.030 15 0 "[ . 1 . ]" 1
287 1 11 C Q5' 1 12 G H8 7.000 4.500 8.000 6.407 5.075 7.020 . 0 0 "[ . 1 . ]" 1
288 1 11 C Q5' 1 12 G Q5' 5.500 2.500 6.500 3.837 3.565 3.943 . 0 0 "[ . 1 . ]" 1
289 1 13 A H2' 1 13 A H8 4.500 3.000 4.500 3.870 3.491 4.137 . 0 0 "[ . 1 . ]" 1
290 1 13 A H1' 1 13 A H3' 7.000 3.500 7.000 3.880 3.859 3.894 . 0 0 "[ . 1 . ]" 1
291 1 13 A H4' 1 13 A Q5' 3.000 . 3.000 2.205 2.167 2.301 . 0 0 "[ . 1 . ]" 1
292 1 13 A H4' 1 13 A H8 4.500 3.000 4.500 4.145 3.990 4.384 . 0 0 "[ . 1 . ]" 1
293 1 13 A Q5' 1 13 A H8 4.500 3.000 5.500 2.920 2.450 3.237 0.550 14 1 "[ . 1 +. ]" 1
294 1 13 A H3' 1 13 A H8 4.500 . 4.500 2.909 2.301 3.358 . 0 0 "[ . 1 . ]" 1
295 1 13 A H1' 1 13 A H8 7.000 3.500 7.000 3.762 3.674 3.862 . 0 0 "[ . 1 . ]" 1
296 1 13 A H2 1 13 A H2' 7.000 4.500 7.000 4.826 4.436 5.372 0.064 14 0 "[ . 1 . ]" 1
297 1 12 G H1' 1 13 A H8 5.500 3.000 6.000 5.943 5.788 6.027 0.027 1 0 "[ . 1 . ]" 1
298 1 12 G H2' 1 13 A H8 5.500 3.000 5.500 3.220 3.028 3.332 . 0 0 "[ . 1 . ]" 1
299 1 9 C H1' 1 13 A H2 4.500 3.000 4.500 4.388 3.679 4.514 0.014 14 0 "[ . 1 . ]" 1
300 1 13 A H3' 1 14 G H8 5.500 3.500 5.500 3.447 3.379 3.485 0.121 1 0 "[ . 1 . ]" 1
301 1 13 A H2' 1 14 G H1' 5.500 3.500 5.500 3.558 3.458 3.880 0.042 15 0 "[ . 1 . ]" 1
302 1 9 C H6 1 13 A H2 7.000 4.500 7.000 6.232 5.839 6.483 . 0 0 "[ . 1 . ]" 1
303 1 12 G H3' 1 13 A H8 4.500 3.000 4.500 3.269 2.956 3.855 0.044 8 0 "[ . 1 . ]" 1
304 1 13 A H2 1 14 G H8 7.000 4.500 7.000 5.920 5.721 6.306 . 0 0 "[ . 1 . ]" 1
305 1 14 G H1' 1 14 G H3' 7.000 3.500 7.000 3.966 3.920 3.986 . 0 0 "[ . 1 . ]" 1
306 1 14 G H1' 1 14 G H4' 7.000 3.500 7.000 3.401 3.325 3.444 0.175 1 0 "[ . 1 . ]" 1
307 1 14 G H4' 1 14 G H8 7.000 4.500 7.000 4.500 4.377 4.657 0.123 12 0 "[ . 1 . ]" 1
308 1 14 G H4' 1 14 G Q5' 3.000 . 4.000 2.176 2.170 2.181 . 0 0 "[ . 1 . ]" 1
309 1 14 G H2' 1 14 G H8 4.500 3.000 4.500 3.381 2.958 3.898 0.042 4 0 "[ . 1 . ]" 1
310 1 14 G H2' 1 14 G H3' 4.500 . 4.500 2.334 2.314 2.351 . 0 0 "[ . 1 . ]" 1
311 1 14 G H1' 1 14 G H2' 4.500 3.000 4.500 2.919 2.793 3.008 0.207 12 0 "[ . 1 . ]" 1
312 1 14 G H3' 1 14 G H8 4.500 3.000 4.500 4.045 3.336 4.524 0.024 1 0 "[ . 1 . ]" 1
313 1 14 G H1' 1 14 G H8 5.500 3.500 5.500 3.810 3.761 3.851 . 0 0 "[ . 1 . ]" 1
314 1 14 G Q5' 1 14 G H8 5.500 2.500 6.500 3.644 3.523 3.856 . 0 0 "[ . 1 . ]" 1
315 1 14 G H1' 1 15 U Q5' 5.500 2.500 6.500 4.639 4.030 5.474 . 0 0 "[ . 1 . ]" 1
316 1 13 A H2 1 14 G H1' 4.500 3.000 4.500 3.577 3.144 4.542 0.042 4 0 "[ . 1 . ]" 1
317 1 13 A H2' 1 14 G H8 3.000 . 3.000 2.548 2.183 2.986 . 0 0 "[ . 1 . ]" 1
318 1 7 C H41 1 14 G H1 3.000 . 3.000 2.409 1.766 3.035 0.035 16 0 "[ . 1 . ]" 1
319 1 7 C H42 1 14 G H1 4.500 3.000 4.500 3.890 3.334 4.426 . 0 0 "[ . 1 . ]" 1
320 1 7 C H5 1 14 G H1 7.000 4.500 7.000 4.900 4.613 5.180 . 0 0 "[ . 1 . ]" 1
321 1 14 G H1' 1 15 U H6 7.000 4.500 7.000 4.907 4.434 5.856 0.066 3 0 "[ . 1 . ]" 1
322 1 15 U H4' 1 15 U Q5' 3.000 . 5.000 2.207 2.162 2.322 . 0 0 "[ . 1 . ]" 1
323 1 15 U H2' 1 15 U H3' 3.000 . 3.000 2.360 2.298 2.393 . 0 0 "[ . 1 . ]" 1
324 1 15 U H2' 1 15 U Q5' 3.000 . 5.000 4.387 3.808 4.594 . 0 0 "[ . 1 . ]" 1
325 1 15 U H2' 1 15 U H6 4.500 . 5.500 3.592 3.249 4.077 . 0 0 "[ . 1 . ]" 1
326 1 15 U H1' 1 15 U H6 4.500 3.000 4.500 3.604 3.423 3.694 . 0 0 "[ . 1 . ]" 1
327 1 15 U H5 1 15 U H6 3.000 . 3.000 2.427 2.421 2.438 . 0 0 "[ . 1 . ]" 1
328 1 15 U H3' 1 15 U H6 3.000 . 4.000 2.861 2.182 3.860 . 0 0 "[ . 1 . ]" 1
329 1 15 U H4' 1 15 U H6 3.000 . 4.000 4.059 3.952 4.234 0.234 12 0 "[ . 1 . ]" 1
330 1 15 U Q5' 1 15 U H6 5.500 3.500 6.500 2.891 2.662 2.989 0.838 16 17 [-**************+*] 1
331 1 15 U H1' 1 15 U H4' 4.500 3.000 4.500 3.255 2.926 3.401 0.074 12 0 "[ . 1 . ]" 1
332 1 14 G H2' 1 15 U H6 5.500 3.500 5.500 5.440 4.542 5.581 0.081 1 0 "[ . 1 . ]" 1
333 1 14 G H2' 1 15 U H5 7.000 5.000 7.000 5.520 4.965 6.778 0.035 16 0 "[ . 1 . ]" 1
334 1 16 G H1' 1 16 G H8 4.500 3.000 4.500 3.801 3.740 3.841 . 0 0 "[ . 1 . ]" 1
335 1 16 G H3' 1 16 G H4' 5.500 3.500 5.500 3.089 3.081 3.096 0.419 12 0 "[ . 1 . ]" 1
336 1 16 G H4' 1 16 G H8 7.000 4.500 7.000 4.495 4.473 4.524 0.027 5 0 "[ . 1 . ]" 1
337 1 16 G H2' 1 16 G Q5' 4.500 . 5.500 4.122 4.014 4.330 . 0 0 "[ . 1 . ]" 1
338 1 16 G H3' 1 16 G Q5' 5.500 2.500 6.500 2.253 2.190 2.386 0.310 16 0 "[ . 1 . ]" 1
339 1 16 G H2' 1 16 G H3' 3.000 . 3.000 2.343 2.334 2.348 . 0 0 "[ . 1 . ]" 1
340 1 16 G H1' 1 16 G H3' 3.000 . 4.000 3.955 3.940 3.971 . 0 0 "[ . 1 . ]" 1
341 1 16 G H4' 1 16 G Q5' 3.000 . 3.000 2.296 2.171 2.363 . 0 0 "[ . 1 . ]" 1
342 1 16 G Q5' 1 16 G H8 7.000 3.500 7.000 3.081 2.791 3.778 0.709 4 12 "[***+**** 1 ***-]" 1
343 1 16 G H1' 1 16 G H2' 4.500 3.000 4.500 2.825 2.819 2.836 0.181 4 0 "[ . 1 . ]" 1
344 1 16 G H1' 1 16 G H4' 5.500 3.500 5.500 3.343 3.328 3.376 0.172 12 0 "[ . 1 . ]" 1
345 1 16 G H3' 1 16 G H8 3.000 . 4.000 3.216 2.989 3.528 . 0 0 "[ . 1 . ]" 1
346 1 16 G H5'' 1 16 G H8 4.500 3.000 4.500 3.203 2.820 4.116 0.180 4 0 "[ . 1 . ]" 1
347 1 16 G H2' 1 16 G H8 4.500 3.000 4.500 3.752 3.637 3.903 . 0 0 "[ . 1 . ]" 1
348 1 16 G H1' 1 16 G H5'' 4.500 3.000 5.500 4.823 4.679 5.143 . 0 0 "[ . 1 . ]" 1
349 1 16 G H2' 1 16 G H5'' 4.500 3.000 5.500 4.371 4.251 4.576 . 0 0 "[ . 1 . ]" 1
350 1 16 G H1' 1 16 G H5' 5.500 3.500 5.500 5.154 4.923 5.249 . 0 0 "[ . 1 . ]" 1
351 1 14 G H2' 1 16 G H8 7.000 4.500 7.000 4.424 4.379 4.477 0.121 9 0 "[ . 1 . ]" 1
352 1 15 U H4' 1 16 G H1' 7.000 4.500 7.000 6.815 6.342 7.061 0.061 2 0 "[ . 1 . ]" 1
353 1 16 G H1 1 17 C N4 7.000 4.500 7.000 4.576 4.475 4.726 0.025 12 0 "[ . 1 . ]" 1
354 1 6 C H41 1 16 G H1 3.000 . 3.000 2.165 1.919 2.446 . 0 0 "[ . 1 . ]" 1
355 1 6 C H42 1 16 G H1 4.500 3.000 4.500 3.729 3.512 3.963 . 0 0 "[ . 1 . ]" 1
356 1 7 C H1' 1 16 G H1 5.500 3.500 5.500 5.551 5.529 5.567 0.067 10 0 "[ . 1 . ]" 1
357 1 16 G H1 1 17 C H1' 7.000 4.500 7.000 6.691 6.486 6.951 . 0 0 "[ . 1 . ]" 1
358 1 16 G H1 1 17 C H42 7.000 4.500 7.000 4.832 4.629 5.045 . 0 0 "[ . 1 . ]" 1
359 1 14 G H3' 1 16 G H8 4.500 3.000 4.500 4.612 4.542 4.685 0.185 9 0 "[ . 1 . ]" 1
360 1 16 G H1' 1 17 C H5 5.500 3.500 5.500 5.520 5.504 5.533 0.033 12 0 "[ . 1 . ]" 1
361 1 15 U H3' 1 16 G H8 5.500 4.500 5.500 4.451 4.399 4.638 0.101 4 0 "[ . 1 . ]" 1
362 1 16 G H8 1 17 C H5 5.500 3.500 5.500 5.377 5.080 5.516 0.016 13 0 "[ . 1 . ]" 1
363 1 15 U H4' 1 16 G H8 7.000 4.500 7.000 6.800 6.068 7.100 0.100 2 0 "[ . 1 . ]" 1
364 1 15 U H2' 1 16 G H8 7.000 4.500 7.000 5.821 5.040 6.110 . 0 0 "[ . 1 . ]" 1
365 1 15 U H3' 1 16 G H1' 7.000 4.500 7.000 4.662 4.240 5.562 0.260 5 0 "[ . 1 . ]" 1
366 1 15 U H2' 1 16 G H1' 7.000 4.500 7.000 4.389 4.331 4.462 0.169 2 0 "[ . 1 . ]" 1
367 1 15 U H1' 1 16 G H1' 5.500 3.500 5.500 5.634 5.515 5.697 0.197 16 0 "[ . 1 . ]" 1
368 1 17 C Q5' 1 17 C H6 3.000 . 5.000 3.247 3.049 3.337 . 0 0 "[ . 1 . ]" 1
369 1 17 C H4' 1 17 C H6 5.500 3.500 5.500 4.037 4.008 4.060 . 0 0 "[ . 1 . ]" 1
370 1 17 C H1' 1 17 C H4' 7.000 3.500 7.000 3.376 3.358 3.397 0.142 4 0 "[ . 1 . ]" 1
371 1 17 C H2' 1 17 C H6 7.000 3.500 7.000 3.535 3.483 3.631 0.017 4 0 "[ . 1 . ]" 1
372 1 17 C H1' 1 17 C H2' 4.500 3.000 4.500 2.809 2.801 2.815 0.199 15 0 "[ . 1 . ]" 1
373 1 17 C H5 1 17 C H6 3.000 . 3.000 2.453 2.451 2.454 . 0 0 "[ . 1 . ]" 1
374 1 17 C H5'' 1 17 C H6 4.500 3.000 4.500 3.935 3.874 4.004 . 0 0 "[ . 1 . ]" 1
375 1 17 C H1' 1 17 C H5 5.500 3.500 5.500 5.389 5.372 5.403 . 0 0 "[ . 1 . ]" 1
376 1 17 C H1' 1 17 C H6 5.500 3.500 5.500 3.659 3.635 3.677 . 0 0 "[ . 1 . ]" 1
377 1 17 C H3' 1 17 C H5 7.000 4.500 7.000 4.604 4.498 4.693 0.002 15 0 "[ . 1 . ]" 1
378 1 17 C H5 1 17 C H5' 7.000 4.500 7.000 5.714 5.371 5.882 . 0 0 "[ . 1 . ]" 1
379 1 17 C H2' 1 17 C H5 7.000 4.500 7.000 4.996 4.960 5.063 . 0 0 "[ . 1 . ]" 1
380 1 17 C H5 1 17 C H5'' 7.000 4.500 7.000 6.171 6.080 6.257 . 0 0 "[ . 1 . ]" 1
381 1 16 G H3' 1 17 C H6 4.500 3.000 4.500 4.205 4.154 4.253 . 0 0 "[ . 1 . ]" 1
382 1 16 G H2' 1 17 C H5 4.500 3.000 4.500 3.040 3.005 3.107 . 0 0 "[ . 1 . ]" 1
383 1 16 G H3' 1 17 C H5 7.000 4.500 7.000 4.418 4.391 4.453 0.109 5 0 "[ . 1 . ]" 1
384 1 17 C H3' 1 18 A H8 5.500 3.500 5.500 3.521 3.484 3.653 0.016 11 0 "[ . 1 . ]" 1
385 1 17 C H2' 1 18 A H8 3.000 . 3.000 2.214 2.188 2.270 . 0 0 "[ . 1 . ]" 1
386 1 17 C H1' 1 18 A H5' 5.500 3.500 5.500 4.939 4.091 5.508 0.008 5 0 "[ . 1 . ]" 1
387 1 16 G H2' 1 17 C H6 3.000 . 3.000 2.346 2.272 2.443 . 0 0 "[ . 1 . ]" 1
388 1 16 G H1' 1 17 C H6 5.500 3.500 5.500 4.596 4.481 4.740 . 0 0 "[ . 1 . ]" 1
389 1 17 C H41 1 18 A N6 4.500 . 5.500 4.525 4.040 4.904 . 0 0 "[ . 1 . ]" 1
390 1 6 C N4 1 17 C H41 7.000 3.500 8.000 4.657 4.469 4.847 . 0 0 "[ . 1 . ]" 1
391 1 16 G H2' 1 17 C H1' 5.500 3.500 5.500 5.376 5.271 5.518 0.018 12 0 "[ . 1 . ]" 1
392 1 18 A Q5' 1 18 A H8 5.500 2.500 6.500 3.028 2.888 3.088 . 0 0 "[ . 1 . ]" 1
393 1 18 A H1' 1 18 A H2' 3.000 . 4.000 2.711 2.700 2.718 . 0 0 "[ . 1 . ]" 1
394 1 18 A H1' 1 18 A H3' 7.000 3.500 7.000 3.885 3.873 3.896 . 0 0 "[ . 1 . ]" 1
395 1 18 A H1' 1 18 A H4' 5.500 3.500 5.500 3.600 3.560 3.646 . 0 0 "[ . 1 . ]" 1
396 1 18 A H4' 1 18 A Q5' 3.000 . 4.000 2.185 2.178 2.193 . 0 0 "[ . 1 . ]" 1
397 1 18 A H3' 1 18 A H8 3.000 . 3.000 2.693 2.403 2.901 . 0 0 "[ . 1 . ]" 1
398 1 18 A H5' 1 18 A H8 4.500 3.000 4.500 3.392 3.036 3.572 . 0 0 "[ . 1 . ]" 1
399 1 18 A H1' 1 18 A H8 5.500 3.500 5.500 3.802 3.767 3.848 . 0 0 "[ . 1 . ]" 1
400 1 18 A H2' 1 18 A H8 4.500 3.000 4.500 3.743 3.527 3.921 . 0 0 "[ . 1 . ]" 1
401 1 18 A H4' 1 18 A H8 3.000 . 4.000 4.055 4.028 4.076 0.076 1 0 "[ . 1 . ]" 1
402 1 18 A H1' 1 18 A H2 7.000 4.500 7.000 4.628 4.556 4.695 . 0 0 "[ . 1 . ]" 1
403 1 18 A H8 1 19 U H6 5.500 3.500 5.500 5.326 5.116 5.469 . 0 0 "[ . 1 . ]" 1
404 1 17 C H1' 1 18 A H8 5.500 3.500 5.500 4.861 4.789 4.917 . 0 0 "[ . 1 . ]" 1
405 1 17 C H2' 1 18 A H1' 5.500 3.500 6.500 4.511 4.121 4.929 . 0 0 "[ . 1 . ]" 1
406 1 18 A H1' 1 19 U H6 7.000 4.500 7.000 4.986 4.824 5.202 . 0 0 "[ . 1 . ]" 1
407 1 5 G H1' 1 18 A H2 5.500 3.500 5.500 5.329 4.891 5.513 0.013 2 0 "[ . 1 . ]" 1
408 1 5 G N2 1 18 A H2 7.000 3.500 8.000 4.795 4.461 5.263 . 0 0 "[ . 1 . ]" 1
409 1 17 C H6 1 18 A H8 5.500 3.500 5.500 5.403 5.166 5.504 0.004 16 0 "[ . 1 . ]" 1
410 1 17 C H5' 1 18 A H8 7.000 4.500 7.000 6.936 6.883 7.000 . 0 0 "[ . 1 . ]" 1
411 1 18 A H1' 1 19 U H5 7.000 4.500 7.000 5.923 5.776 6.039 . 0 0 "[ . 1 . ]" 1
412 1 17 C H5'' 1 18 A H8 7.000 4.500 7.000 6.079 5.947 6.361 . 0 0 "[ . 1 . ]" 1
413 1 17 C H1' 1 18 A H1' 7.000 4.500 7.000 5.720 5.184 6.473 . 0 0 "[ . 1 . ]" 1
414 1 17 C H5 1 18 A H8 7.000 4.500 7.000 6.528 6.166 6.699 . 0 0 "[ . 1 . ]" 1
415 1 19 U H1' 1 19 U H3' 3.000 . 4.000 3.897 3.887 3.906 . 0 0 "[ . 1 . ]" 1
416 1 19 U Q5' 1 19 U H6 5.500 2.500 6.500 3.167 3.061 3.285 . 0 0 "[ . 1 . ]" 1
417 1 19 U H1' 1 19 U H4' 4.500 3.000 4.500 3.429 3.359 3.472 . 0 0 "[ . 1 . ]" 1
418 1 19 U H1' 1 19 U H2' 4.500 3.000 4.500 2.790 2.779 2.806 0.221 3 0 "[ . 1 . ]" 1
419 1 19 U H5 1 19 U H6 3.000 . 3.000 2.426 2.424 2.428 . 0 0 "[ . 1 . ]" 1
420 1 19 U H4' 1 19 U H6 3.000 . 4.000 3.940 3.884 4.002 0.002 13 0 "[ . 1 . ]" 1
421 1 19 U H1' 1 19 U H6 5.500 3.500 5.500 3.612 3.581 3.651 . 0 0 "[ . 1 . ]" 1
422 1 19 U H5'' 1 19 U H6 5.500 3.500 5.500 3.493 3.331 3.619 0.169 3 0 "[ . 1 . ]" 1
423 1 19 U H3 1 19 U H5 7.000 4.500 7.000 4.260 4.258 4.262 0.242 13 0 "[ . 1 . ]" 1
424 1 19 U H3' 1 19 U H5 5.500 3.500 5.500 4.544 4.406 4.625 . 0 0 "[ . 1 . ]" 1
425 1 19 U H1' 1 19 U H5'' 5.500 3.500 5.500 5.174 5.164 5.199 . 0 0 "[ . 1 . ]" 1
426 1 19 U H1' 1 19 U H5 7.000 4.500 7.000 5.375 5.355 5.403 . 0 0 "[ . 1 . ]" 1
427 1 19 U H2' 1 20 C H1' 3.000 . 6.000 4.021 3.819 4.194 . 0 0 "[ . 1 . ]" 1
428 1 18 A H2' 1 19 U H5 7.000 3.500 7.000 3.492 3.468 3.575 0.032 5 0 "[ . 1 . ]" 1
429 1 18 A H2 1 19 U H1' 5.500 3.500 5.500 4.588 4.270 5.152 . 0 0 "[ . 1 . ]" 1
430 1 18 A H2' 1 19 U H6 3.000 . 3.000 2.318 2.194 2.493 . 0 0 "[ . 1 . ]" 1
431 1 18 A H3' 1 19 U H6 4.500 3.000 4.500 3.310 3.055 3.750 . 0 0 "[ . 1 . ]" 1
432 1 3 A H2 1 19 U H3 3.000 . 3.000 3.027 3.018 3.039 0.039 8 0 "[ . 1 . ]" 1
433 1 3 A H61 1 19 U H3 4.500 . 4.500 2.153 2.075 2.241 . 0 0 "[ . 1 . ]" 1
434 1 19 U H3 1 20 C H41 7.000 4.500 7.000 5.203 4.888 5.412 . 0 0 "[ . 1 . ]" 1
435 1 3 A H62 1 19 U H3 4.500 3.000 4.500 3.689 3.599 3.785 . 0 0 "[ . 1 . ]" 1
436 1 19 U H3 1 20 C H42 7.000 4.500 7.000 5.292 4.948 5.526 . 0 0 "[ . 1 . ]" 1
437 1 18 A H2 1 19 U H3 4.500 3.000 4.500 4.520 4.505 4.537 0.037 9 0 "[ . 1 . ]" 1
438 1 19 U H3 1 20 C H5 5.500 3.500 5.500 5.249 4.969 5.489 . 0 0 "[ . 1 . ]" 1
439 1 4 U H1' 1 19 U H3 7.000 4.500 7.000 6.692 6.443 6.838 . 0 0 "[ . 1 . ]" 1
440 1 18 A H3' 1 19 U H5 4.500 3.000 4.500 3.486 3.033 3.976 . 0 0 "[ . 1 . ]" 1
441 1 18 A H8 1 19 U H5 7.000 4.500 7.000 4.696 4.470 5.009 0.030 9 0 "[ . 1 . ]" 1
442 1 20 C H1' 1 20 C H2' 3.000 . 3.000 2.749 2.744 2.754 . 0 0 "[ . 1 . ]" 1
443 1 20 C H1' 1 20 C H6 5.500 3.500 5.500 3.563 3.531 3.599 . 0 0 "[ . 1 . ]" 1
444 1 20 C H2' 1 20 C H3' 3.000 . 3.000 2.365 2.361 2.369 . 0 0 "[ . 1 . ]" 1
445 1 20 C H1' 1 20 C H5' 5.500 3.500 5.500 4.946 4.940 4.952 . 0 0 "[ . 1 . ]" 1
446 1 20 C H1' 1 20 C H4' 5.500 3.500 5.500 3.439 3.417 3.454 0.083 15 0 "[ . 1 . ]" 1
447 1 20 C H4' 1 20 C H6 4.500 3.000 4.500 4.017 3.998 4.036 . 0 0 "[ . 1 . ]" 1
448 1 20 C H5' 1 20 C H6 3.000 . 4.000 3.695 3.661 3.744 . 0 0 "[ . 1 . ]" 1
449 1 20 C H5 1 20 C H6 3.000 . 3.000 2.453 2.452 2.455 . 0 0 "[ . 1 . ]" 1
450 1 20 C H2' 1 20 C H6 5.500 3.500 5.500 3.871 3.765 3.951 . 0 0 "[ . 1 . ]" 1
451 1 20 C H1' 1 20 C H3' 3.000 . 4.000 3.883 3.876 3.892 . 0 0 "[ . 1 . ]" 1
452 1 20 C H1' 1 20 C H5'' 4.500 3.000 5.500 5.171 5.169 5.175 . 0 0 "[ . 1 . ]" 1
453 1 19 U H5 1 20 C H5 7.000 3.500 7.000 5.142 4.784 5.481 . 0 0 "[ . 1 . ]" 1
454 1 19 U H2' 1 20 C H5 5.500 3.500 5.500 3.501 3.483 3.555 0.017 6 0 "[ . 1 . ]" 1
455 1 3 A H2 1 20 C H1' 4.500 3.000 4.500 4.428 4.227 4.522 0.022 11 0 "[ . 1 . ]" 1
456 1 20 C H1' 1 21 C H6 5.500 3.500 5.500 5.275 5.066 5.445 . 0 0 "[ . 1 . ]" 1
457 1 19 U H2' 1 20 C H6 3.000 . 3.000 2.206 2.193 2.252 . 0 0 "[ . 1 . ]" 1
458 1 3 A N6 1 20 C H41 4.500 . 5.500 4.449 4.146 4.654 . 0 0 "[ . 1 . ]" 1
459 1 20 C H6 1 21 C H6 5.500 3.500 5.500 5.382 5.146 5.522 0.022 17 0 "[ . 1 . ]" 1
460 1 19 U H6 1 20 C H6 5.500 3.500 5.500 5.369 5.239 5.491 . 0 0 "[ . 1 . ]" 1
461 1 21 C H3' 1 21 C H5 3.000 . 5.000 4.968 4.796 5.013 0.013 5 0 "[ . 1 . ]" 1
462 1 21 C H2' 1 21 C H5 7.000 4.500 7.000 4.726 4.639 4.797 . 0 0 "[ . 1 . ]" 1
463 1 21 C H1' 1 21 C H4' 4.500 3.000 4.500 3.007 2.989 3.064 0.011 13 0 "[ . 1 . ]" 1
464 1 21 C H4' 1 21 C H6 5.500 3.500 5.500 4.283 4.265 4.302 . 0 0 "[ . 1 . ]" 1
465 1 21 C H2' 1 21 C H4' 3.000 . 4.000 3.841 3.835 3.847 . 0 0 "[ . 1 . ]" 1
466 1 21 C H2' 1 21 C H3' 3.000 . 3.000 2.308 2.304 2.312 . 0 0 "[ . 1 . ]" 1
467 1 21 C H1' 1 21 C H3' 5.500 3.500 5.500 3.900 3.896 3.904 . 0 0 "[ . 1 . ]" 1
468 1 21 C H4' 1 21 C Q5' 3.000 . 4.000 2.198 2.192 2.201 . 0 0 "[ . 1 . ]" 1
469 1 21 C H1' 1 21 C H2' 4.500 3.000 4.500 2.889 2.876 2.894 0.124 9 0 "[ . 1 . ]" 1
470 1 21 C H1' 1 21 C H5'' 7.000 4.500 7.000 5.063 5.056 5.081 . 0 0 "[ . 1 . ]" 1
471 1 21 C H3' 1 21 C H6 3.000 . 3.000 2.784 2.562 2.880 . 0 0 "[ . 1 . ]" 1
472 1 21 C H1' 1 21 C H6 5.500 3.500 5.500 3.690 3.670 3.713 . 0 0 "[ . 1 . ]" 1
473 1 21 C H5 1 21 C H6 3.000 . 3.000 2.452 2.450 2.454 . 0 0 "[ . 1 . ]" 1
474 1 21 C H2' 1 21 C H6 4.500 3.000 4.500 3.131 2.995 3.248 0.005 9 0 "[ . 1 . ]" 1
475 1 21 C H5' 1 21 C H6 4.500 3.000 4.500 4.023 3.881 4.311 . 0 0 "[ . 1 . ]" 1
476 1 21 C H1' 1 21 C H5' 5.500 3.500 5.500 4.593 4.564 4.680 . 0 0 "[ . 1 . ]" 1
477 1 21 C H5'' 1 21 C H6 5.500 3.500 5.500 4.499 4.347 4.531 . 0 0 "[ . 1 . ]" 1
478 1 20 C H6 1 21 C H5 7.000 4.500 7.000 5.176 4.840 5.590 . 0 0 "[ . 1 . ]" 1
479 1 20 C H3' 1 21 C H5 7.000 4.500 7.000 4.611 4.497 4.754 0.003 11 0 "[ . 1 . ]" 1
480 1 20 C H2' 1 21 C H5 7.000 3.500 7.000 4.365 4.183 4.551 . 0 0 "[ . 1 . ]" 1
481 1 20 C H2' 1 21 C H1' 7.000 4.500 7.000 4.744 4.470 4.991 0.030 17 0 "[ . 1 . ]" 1
482 1 20 C H2' 1 21 C H6 3.000 . 3.000 2.733 2.556 2.874 . 0 0 "[ . 1 . ]" 1
483 1 20 C N4 1 21 C H41 4.500 . 5.500 4.289 3.883 4.725 . 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 46
_Distance_constraint_stats_list.Viol_count 272
_Distance_constraint_stats_list.Viol_total 96.784
_Distance_constraint_stats_list.Viol_max 0.072
_Distance_constraint_stats_list.Viol_rms 0.0134
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0073
_Distance_constraint_stats_list.Viol_average_violations_only 0.0209
_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 0.288 0.028 10 0 "[ . 1 . ]"
1 2 G 0.355 0.024 4 0 "[ . 1 . ]"
1 3 A 0.750 0.056 3 0 "[ . 1 . ]"
1 4 U 0.566 0.039 11 0 "[ . 1 . ]"
1 5 G 0.565 0.041 16 0 "[ . 1 . ]"
1 6 C 0.737 0.041 16 0 "[ . 1 . ]"
1 7 C 1.079 0.072 1 0 "[ . 1 . ]"
1 8 U 0.841 0.055 12 0 "[ . 1 . ]"
1 9 C 0.513 0.026 10 0 "[ . 1 . ]"
1 12 G 0.513 0.026 10 0 "[ . 1 . ]"
1 13 A 0.841 0.055 12 0 "[ . 1 . ]"
1 14 G 1.079 0.072 1 0 "[ . 1 . ]"
1 16 G 0.737 0.041 16 0 "[ . 1 . ]"
1 17 C 0.565 0.041 16 0 "[ . 1 . ]"
1 18 A 0.566 0.039 11 0 "[ . 1 . ]"
1 19 U 0.750 0.056 3 0 "[ . 1 . ]"
1 20 C 0.355 0.024 4 0 "[ . 1 . ]"
1 21 C 0.288 0.028 10 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 G H1 1 21 C N3 2.000 . 2.000 1.912 1.877 1.955 . 0 0 "[ . 1 . ]" 2
2 1 1 G N1 1 21 C N3 2.900 2.600 2.900 2.911 2.861 2.928 0.028 10 0 "[ . 1 . ]" 2
3 1 1 G O6 1 21 C H41 2.000 . 2.000 1.860 1.798 1.920 0.002 4 0 "[ . 1 . ]" 2
4 1 1 G O6 1 21 C N4 2.900 2.600 2.900 2.860 2.805 2.911 0.011 15 0 "[ . 1 . ]" 2
5 1 1 G H21 1 21 C O2 2.000 . 2.000 1.853 1.790 1.924 0.010 15 0 "[ . 1 . ]" 2
6 1 1 G N2 1 21 C O2 2.900 2.600 2.900 2.845 2.757 2.911 0.011 7 0 "[ . 1 . ]" 2
7 1 2 G H1 1 20 C N3 2.000 . 2.000 1.911 1.883 1.921 . 0 0 "[ . 1 . ]" 2
8 1 2 G N1 1 20 C N3 2.900 2.600 2.900 2.896 2.862 2.911 0.011 13 0 "[ . 1 . ]" 2
9 1 2 G O6 1 20 C H41 2.000 . 2.000 1.925 1.872 1.944 . 0 0 "[ . 1 . ]" 2
10 1 2 G O6 1 20 C N4 2.900 2.600 2.900 2.900 2.841 2.924 0.024 4 0 "[ . 1 . ]" 2
11 1 2 G H21 1 20 C O2 2.000 . 2.000 1.792 1.778 1.839 0.022 4 0 "[ . 1 . ]" 2
12 1 2 G N2 1 20 C O2 2.900 2.600 2.900 2.790 2.773 2.834 . 0 0 "[ . 1 . ]" 2
13 1 3 A N1 1 19 U H3 2.000 . 2.000 1.849 1.782 1.909 0.018 13 0 "[ . 1 . ]" 2
14 1 3 A N1 1 19 U N3 2.900 2.600 2.900 2.855 2.781 2.919 0.019 15 0 "[ . 1 . ]" 2
15 1 3 A H61 1 19 U O4 2.000 . 2.000 1.759 1.744 1.778 0.056 3 0 "[ . 1 . ]" 2
16 1 3 A N6 1 19 U O4 2.900 2.600 2.900 2.728 2.702 2.762 . 0 0 "[ . 1 . ]" 2
17 1 4 U H3 1 18 A N1 2.000 . 2.000 1.811 1.770 1.897 0.030 13 0 "[ . 1 . ]" 2
18 1 4 U N3 1 18 A N1 2.900 2.600 2.900 2.820 2.767 2.912 0.012 14 0 "[ . 1 . ]" 2
19 1 4 U O4 1 18 A H61 2.000 . 2.000 1.918 1.869 1.938 . 0 0 "[ . 1 . ]" 2
20 1 4 U O4 1 18 A N6 2.900 2.600 2.900 2.922 2.875 2.939 0.039 11 0 "[ . 1 . ]" 2
21 1 5 G H1 1 17 C N3 2.000 . 2.000 1.908 1.877 1.920 . 0 0 "[ . 1 . ]" 2
22 1 5 G N1 1 17 C N3 2.900 2.600 2.900 2.877 2.847 2.888 . 0 0 "[ . 1 . ]" 2
23 1 5 G O6 1 17 C H41 2.000 . 2.000 1.775 1.759 1.788 0.041 16 0 "[ . 1 . ]" 2
24 1 5 G O6 1 17 C N4 2.900 2.600 2.900 2.722 2.703 2.741 . 0 0 "[ . 1 . ]" 2
25 1 5 G H21 1 17 C O2 2.000 . 2.000 1.959 1.882 1.980 . 0 0 "[ . 1 . ]" 2
26 1 5 G N2 1 17 C O2 2.900 2.600 2.900 2.902 2.823 2.926 0.026 10 0 "[ . 1 . ]" 2
27 1 6 C N3 1 16 G H1 2.000 . 2.000 1.937 1.917 1.960 . 0 0 "[ . 1 . ]" 2
28 1 6 C N3 1 16 G N1 2.900 2.600 2.900 2.923 2.911 2.935 0.035 12 0 "[ . 1 . ]" 2
29 1 6 C H41 1 16 G O6 2.000 . 2.000 1.840 1.797 1.896 0.003 2 0 "[ . 1 . ]" 2
30 1 6 C N4 1 16 G O6 2.900 2.600 2.900 2.828 2.790 2.876 . 0 0 "[ . 1 . ]" 2
31 1 6 C O2 1 16 G H21 2.000 . 2.000 1.938 1.894 1.963 . 0 0 "[ . 1 . ]" 2
32 1 6 C O2 1 16 G N2 2.900 2.600 2.900 2.918 2.857 2.941 0.041 16 0 "[ . 1 . ]" 2
33 1 7 C N3 1 14 G H1 2.000 . 2.000 1.882 1.848 1.914 . 0 0 "[ . 1 . ]" 2
34 1 7 C N3 1 14 G N1 2.900 2.600 2.900 2.836 2.816 2.851 . 0 0 "[ . 1 . ]" 2
35 1 7 C H41 1 14 G O6 2.000 . 2.000 1.926 1.797 1.997 0.003 13 0 "[ . 1 . ]" 2
36 1 7 C N4 1 14 G O6 2.900 2.600 2.900 2.890 2.759 2.957 0.057 3 0 "[ . 1 . ]" 2
37 1 7 C O2 1 14 G H21 2.000 . 2.000 1.763 1.728 1.853 0.072 1 0 "[ . 1 . ]" 2
38 1 7 C O2 1 14 G N2 2.900 2.600 2.900 2.683 2.594 2.822 0.006 3 0 "[ . 1 . ]" 2
39 1 8 U H3 1 13 A N1 2.000 . 2.000 1.797 1.762 1.900 0.038 8 0 "[ . 1 . ]" 2
40 1 8 U N3 1 13 A N1 2.900 2.600 2.900 2.755 2.721 2.851 . 0 0 "[ . 1 . ]" 2
41 1 8 U O4 1 13 A H61 2.000 . 2.000 1.946 1.923 1.969 . 0 0 "[ . 1 . ]" 2
42 1 8 U O4 1 13 A N6 2.900 2.600 2.900 2.933 2.908 2.955 0.055 12 0 "[ . 1 . ]" 2
43 1 9 C O2 1 12 G H1 2.000 . 2.000 1.932 1.813 2.010 0.010 6 0 "[ . 1 . ]" 2
44 1 9 C O2 1 12 G N1 2.900 2.600 2.900 2.853 2.747 2.924 0.024 6 0 "[ . 1 . ]" 2
45 1 9 C O2 1 12 G H21 2.000 . 2.000 2.014 1.991 2.026 0.026 10 0 "[ . 1 . ]" 2
46 1 9 C O2 1 12 G N2 2.900 2.600 2.900 2.911 2.889 2.926 0.026 17 0 "[ . 1 . ]" 2
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Contact the webmaster for help, if required. Thursday, May 16, 2024 10:09:47 AM GMT (wattos1)