NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
486810 |
1a60   |
4120 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1a60
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 407
_Distance_constraint_stats_list.Viol_count 2823
_Distance_constraint_stats_list.Viol_total 7768.893
_Distance_constraint_stats_list.Viol_max 0.504
_Distance_constraint_stats_list.Viol_rms 0.0761
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0331
_Distance_constraint_stats_list.Viol_average_violations_only 0.1147
_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 20.578 0.504 15 1 "[ . 1 + 2 ]"
1 2 G 26.082 0.504 15 1 "[ . 1 + 2 ]"
1 3 G 14.904 0.439 20 0 "[ . 1 . 2 ]"
1 4 A 15.521 0.439 20 0 "[ . 1 . 2 ]"
1 5 G 5.956 0.202 22 0 "[ . 1 . 2 ]"
1 6 C 5.682 0.225 15 0 "[ . 1 . 2 ]"
1 7 U 8.572 0.225 15 0 "[ . 1 . 2 ]"
1 8 C 16.603 0.357 5 0 "[ . 1 . 2 ]"
1 9 A 13.551 0.251 13 0 "[ . 1 . 2 ]"
1 10 A 17.258 0.225 13 0 "[ . 1 . 2 ]"
1 11 C 16.939 0.225 13 0 "[ . 1 . 2 ]"
1 12 U 4.955 0.215 21 0 "[ . 1 . 2 ]"
1 13 C 17.453 0.431 11 0 "[ . 1 . 2 ]"
1 14 U 20.280 0.431 11 0 "[ . 1 . 2 ]"
1 15 C 12.398 0.296 2 0 "[ . 1 . 2 ]"
1 16 C 25.791 0.442 16 0 "[ . 1 . 2 ]"
1 17 C 16.564 0.442 16 0 "[ . 1 . 2 ]"
1 18 C 0.336 0.108 14 0 "[ . 1 . 2 ]"
1 19 C 5.046 0.242 5 0 "[ . 1 . 2 ]"
1 20 C 26.350 0.411 17 0 "[ . 1 . 2 ]"
1 21 C 6.988 0.411 17 0 "[ . 1 . 2 ]"
1 22 U 1.704 0.085 23 0 "[ . 1 . 2 ]"
1 23 U 16.159 0.331 9 0 "[ . 1 . 2 ]"
1 24 U 21.619 0.331 9 0 "[ . 1 . 2 ]"
1 25 U 22.470 0.366 21 0 "[ . 1 . 2 ]"
1 26 C 22.544 0.366 21 0 "[ . 1 . 2 ]"
1 27 C 6.306 0.244 12 0 "[ . 1 . 2 ]"
1 28 G 2.016 0.203 17 0 "[ . 1 . 2 ]"
1 29 A 3.344 0.157 4 0 "[ . 1 . 2 ]"
1 30 G 11.650 0.341 24 0 "[ . 1 . 2 ]"
1 31 G 6.271 0.213 20 0 "[ . 1 . 2 ]"
1 32 G 3.292 0.213 20 0 "[ . 1 . 2 ]"
1 33 U 1.050 0.217 22 0 "[ . 1 . 2 ]"
1 34 C 17.819 0.410 21 0 "[ . 1 . 2 ]"
1 35 A 39.530 0.473 21 0 "[ . 1 . 2 ]"
1 36 U 10.607 0.250 12 0 "[ . 1 . 2 ]"
1 37 C 9.513 0.250 12 0 "[ . 1 . 2 ]"
1 38 G 3.107 0.139 14 0 "[ . 1 . 2 ]"
1 39 G 7.604 0.435 21 0 "[ . 1 . 2 ]"
1 40 A 23.288 0.435 21 0 "[ . 1 . 2 ]"
1 41 A 17.429 0.256 10 0 "[ . 1 . 2 ]"
1 42 C 23.509 0.478 21 0 "[ . 1 . 2 ]"
1 43 C 20.502 0.478 21 0 "[ . 1 . 2 ]"
1 44 A 2.967 0.112 5 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 G H1 1 3 G H1 3.700 2.800 4.600 3.798 3.692 4.142 . 0 0 "[ . 1 . 2 ]" 1
2 1 3 G H1 1 14 U H3 3.800 2.800 4.800 3.795 3.183 4.046 . 0 0 "[ . 1 . 2 ]" 1
3 1 5 G H1 1 14 U H3 4.200 3.100 5.300 3.890 3.236 4.161 . 0 0 "[ . 1 . 2 ]" 1
4 1 1 G H1 1 32 G H1 4.400 3.800 5.000 4.547 4.133 4.652 . 0 0 "[ . 1 . 2 ]" 1
5 1 31 G H1 1 32 G H1 4.000 3.000 5.000 4.324 3.927 4.709 . 0 0 "[ . 1 . 2 ]" 1
6 1 30 G H1 1 31 G H1 4.400 3.300 5.500 3.704 3.551 3.948 . 0 0 "[ . 1 . 2 ]" 1
7 1 30 G H1 1 36 U H3 5.500 4.100 6.900 5.415 5.147 5.781 . 0 0 "[ . 1 . 2 ]" 1
8 1 28 G H1 1 36 U H3 4.000 3.000 5.000 3.955 3.585 4.102 . 0 0 "[ . 1 . 2 ]" 1
9 1 28 G H1 1 38 G H1 4.600 3.400 5.800 4.281 3.890 4.651 . 0 0 "[ . 1 . 2 ]" 1
10 1 25 U H3 1 39 G H1 3.800 2.800 4.800 3.409 2.976 3.746 . 0 0 "[ . 1 . 2 ]" 1
11 1 1 G H1' 1 2 G H8 3.500 2.500 4.500 4.298 3.078 4.972 0.472 21 0 "[ . 1 . 2 ]" 1
12 1 1 G H2' 1 2 G H8 4.300 3.400 5.200 3.009 2.896 3.204 0.504 15 1 "[ . 1 + 2 ]" 1
13 1 1 G H8 1 2 G H8 4.700 3.800 5.600 4.852 3.613 5.999 0.399 8 0 "[ . 1 . 2 ]" 1
14 1 2 G H1' 1 3 G H8 4.400 3.500 5.300 4.962 4.879 5.237 . 0 0 "[ . 1 . 2 ]" 1
15 1 2 G H8 1 3 G H8 6.200 5.000 7.400 5.079 4.847 5.731 0.153 9 0 "[ . 1 . 2 ]" 1
16 1 2 G H2' 1 3 G H8 2.800 2.200 3.400 2.215 2.139 2.548 0.061 22 0 "[ . 1 . 2 ]" 1
17 1 2 G H3' 1 3 G H8 3.100 2.500 3.700 2.958 2.617 3.358 . 0 0 "[ . 1 . 2 ]" 1
18 1 3 G H1' 1 4 A H1' 5.500 4.000 7.000 5.597 5.037 6.761 . 0 0 "[ . 1 . 2 ]" 1
19 1 3 G H1' 1 4 A H8 3.700 2.900 4.500 4.679 4.605 4.771 0.271 12 0 "[ . 1 . 2 ]" 1
20 1 3 G H2' 1 4 A H8 3.500 2.500 4.500 2.362 2.285 2.532 0.215 21 0 "[ . 1 . 2 ]" 1
21 1 3 G H3' 1 4 A H8 4.700 3.800 5.600 3.659 3.361 3.755 0.439 20 0 "[ . 1 . 2 ]" 1
22 1 3 G H8 1 4 A H8 6.300 5.000 7.600 5.998 5.708 6.281 . 0 0 "[ . 1 . 2 ]" 1
23 1 4 A H1' 1 5 G H1' 5.100 4.100 6.100 4.861 4.336 5.535 . 0 0 "[ . 1 . 2 ]" 1
24 1 4 A H1' 1 5 G H8 4.000 3.200 4.800 4.878 4.809 4.984 0.184 10 0 "[ . 1 . 2 ]" 1
25 1 4 A H2 1 5 G H1' 3.500 2.800 4.200 3.542 3.159 3.920 . 0 0 "[ . 1 . 2 ]" 1
26 1 4 A H2 1 5 G H8 5.800 4.600 7.000 5.863 5.647 6.086 . 0 0 "[ . 1 . 2 ]" 1
27 1 4 A H8 1 5 G H8 5.400 4.300 6.500 4.462 4.240 4.704 0.060 22 0 "[ . 1 . 2 ]" 1
28 1 4 A H2' 1 5 G H8 2.900 2.300 3.500 2.277 2.217 2.431 0.083 14 0 "[ . 1 . 2 ]" 1
29 1 4 A H3' 1 5 G H8 3.200 2.600 3.800 2.687 2.529 3.011 0.071 22 0 "[ . 1 . 2 ]" 1
30 1 4 A H2 1 5 G H2' 4.500 3.000 6.000 5.951 5.589 6.202 0.202 22 0 "[ . 1 . 2 ]" 1
31 1 4 A H2 1 5 G H4' 5.500 4.000 7.000 6.433 6.036 6.851 . 0 0 "[ . 1 . 2 ]" 1
32 1 5 G H1' 1 6 C H6 4.400 . 7.000 6.112 5.847 6.187 . 0 0 "[ . 1 . 2 ]" 1
33 1 5 G H8 1 6 C H6 5.300 4.200 6.400 5.663 4.635 6.221 . 0 0 "[ . 1 . 2 ]" 1
34 1 5 G H8 1 6 C H5 4.000 3.200 4.800 4.313 3.119 4.852 0.081 15 0 "[ . 1 . 2 ]" 1
35 1 5 G H3' 1 6 C H6 2.900 2.300 3.500 3.146 2.495 3.517 0.017 10 0 "[ . 1 . 2 ]" 1
36 1 5 G H2' 1 6 C H6 2.800 2.200 3.400 3.418 3.322 3.495 0.095 15 0 "[ . 1 . 2 ]" 1
37 1 5 G H2' 1 6 C H5 3.500 2.500 4.500 3.988 3.440 4.405 . 0 0 "[ . 1 . 2 ]" 1
38 1 5 G H3' 1 6 C H5 4.000 3.200 4.800 3.195 3.115 3.450 0.085 21 0 "[ . 1 . 2 ]" 1
39 1 6 C H6 1 7 U H6 4.600 3.700 5.500 4.750 4.385 5.169 . 0 0 "[ . 1 . 2 ]" 1
40 1 6 C H6 1 7 U H5 3.500 2.500 4.500 4.290 4.028 4.520 0.020 15 0 "[ . 1 . 2 ]" 1
41 1 6 C H1' 1 7 U H6 5.500 4.300 6.700 5.728 5.208 5.822 . 0 0 "[ . 1 . 2 ]" 1
42 1 6 C H2' 1 7 U H5 3.500 2.500 4.500 4.272 3.278 4.518 0.018 3 0 "[ . 1 . 2 ]" 1
43 1 6 C H3' 1 7 U H5 3.500 2.500 4.500 3.781 3.385 4.500 . 0 0 "[ . 1 . 2 ]" 1
44 1 6 C H2' 1 7 U H6 3.900 3.100 4.700 3.008 2.875 3.059 0.225 15 0 "[ . 1 . 2 ]" 1
45 1 6 C H5 1 7 U H5 3.700 3.000 4.400 4.403 4.216 4.565 0.165 15 0 "[ . 1 . 2 ]" 1
46 1 6 C H1' 1 7 U H1' 4.400 3.200 5.600 5.598 4.820 5.685 0.085 21 0 "[ . 1 . 2 ]" 1
47 1 6 C H1' 1 7 U H5 5.500 4.000 7.000 6.680 5.975 7.009 0.009 19 0 "[ . 1 . 2 ]" 1
48 1 6 C H4' 1 7 U H6 5.500 4.000 7.000 5.880 5.608 6.307 . 0 0 "[ . 1 . 2 ]" 1
49 1 7 U H1' 1 10 A H8 4.500 3.000 6.000 5.450 4.243 5.642 . 0 0 "[ . 1 . 2 ]" 1
50 1 7 U H1' 1 8 C H6 4.700 3.800 5.600 5.654 5.609 5.726 0.126 2 0 "[ . 1 . 2 ]" 1
51 1 7 U H1' 1 8 C H5 5.500 4.000 7.000 6.669 5.975 6.942 . 0 0 "[ . 1 . 2 ]" 1
52 1 7 U H1' 1 9 A H8 4.500 3.600 5.400 5.348 4.594 5.449 0.049 22 0 "[ . 1 . 2 ]" 1
53 1 7 U H2' 1 9 A H8 4.500 3.000 6.000 5.428 4.559 5.645 . 0 0 "[ . 1 . 2 ]" 1
54 1 8 C H1' 1 9 A H8 3.800 3.000 4.600 3.550 2.975 4.634 0.034 2 0 "[ . 1 . 2 ]" 1
55 1 8 C H6 1 9 A H8 3.700 3.000 4.400 4.394 3.412 4.650 0.250 13 0 "[ . 1 . 2 ]" 1
56 1 8 C H2' 1 9 A H8 3.300 2.600 4.000 2.472 2.349 2.515 0.251 13 0 "[ . 1 . 2 ]" 1
57 1 8 C H3' 1 9 A H8 4.500 3.000 6.000 4.187 3.399 4.439 . 0 0 "[ . 1 . 2 ]" 1
58 1 8 C H1' 1 9 A H1' 5.700 4.600 6.800 6.311 5.718 6.858 0.058 13 0 "[ . 1 . 2 ]" 1
59 1 8 C H4' 1 9 A H8 5.500 4.000 7.000 5.642 4.901 6.350 . 0 0 "[ . 1 . 2 ]" 1
60 1 9 A H2' 1 10 A H1' 3.900 3.100 4.700 4.119 3.397 4.582 . 0 0 "[ . 1 . 2 ]" 1
61 1 9 A H2' 1 10 A H8 3.500 2.800 4.000 2.654 2.623 2.699 0.177 12 0 "[ . 1 . 2 ]" 1
62 1 9 A H1' 1 10 A H1' 5.200 4.200 6.200 5.672 4.830 6.171 . 0 0 "[ . 1 . 2 ]" 1
63 1 9 A H1' 1 10 A H8 4.700 3.800 5.600 5.362 5.227 5.449 . 0 0 "[ . 1 . 2 ]" 1
64 1 9 A H2 1 10 A H1' 3.300 2.600 4.000 3.294 2.561 4.009 0.039 19 0 "[ . 1 . 2 ]" 1
65 1 9 A H2 1 10 A H2 4.000 3.200 4.800 4.846 4.767 4.878 0.078 14 0 "[ . 1 . 2 ]" 1
66 1 9 A H3' 1 10 A H8 3.800 3.000 4.600 3.315 2.981 4.083 0.019 16 0 "[ . 1 . 2 ]" 1
67 1 9 A H8 1 10 A H8 5.500 4.000 7.000 6.245 5.832 6.573 . 0 0 "[ . 1 . 2 ]" 1
68 1 10 A H4' 1 11 C H6 4.600 3.700 5.500 5.564 5.438 5.605 0.105 21 0 "[ . 1 . 2 ]" 1
69 1 10 A H2 1 11 C H2' 4.100 3.300 4.900 5.018 4.639 5.091 0.191 12 0 "[ . 1 . 2 ]" 1
70 1 10 A H2 1 11 C H1' 3.400 2.700 4.100 2.644 2.573 2.765 0.127 12 0 "[ . 1 . 2 ]" 1
71 1 10 A H2 1 11 C H6 4.500 3.600 5.400 5.483 5.438 5.625 0.225 13 0 "[ . 1 . 2 ]" 1
72 1 10 A H8 1 11 C H6 4.600 3.700 5.500 5.463 5.123 5.612 0.112 19 0 "[ . 1 . 2 ]" 1
73 1 10 A H2' 1 11 C H6 3.300 2.600 4.000 2.442 2.415 2.592 0.185 2 0 "[ . 1 . 2 ]" 1
74 1 10 A H3' 1 11 C H6 2.600 2.100 3.100 3.066 2.878 3.140 0.040 2 0 "[ . 1 . 2 ]" 1
75 1 10 A H8 1 11 C H5 5.500 4.000 7.000 4.762 4.418 6.013 . 0 0 "[ . 1 . 2 ]" 1
76 1 10 A H3' 1 11 C H5 3.500 2.500 4.500 3.292 3.079 3.741 . 0 0 "[ . 1 . 2 ]" 1
77 1 10 A H2' 1 11 C H5 4.500 3.000 6.000 3.749 3.510 4.524 . 0 0 "[ . 1 . 2 ]" 1
78 1 11 C H1' 1 12 U H1' 5.500 4.000 7.000 5.508 4.543 7.138 0.138 19 0 "[ . 1 . 2 ]" 1
79 1 11 C H1' 1 12 U H6 4.000 3.200 4.800 4.822 4.592 4.974 0.174 13 0 "[ . 1 . 2 ]" 1
80 1 11 C H1' 1 12 U H5 4.700 3.800 5.600 5.059 4.102 5.431 . 0 0 "[ . 1 . 2 ]" 1
81 1 11 C H2' 1 12 U H5 3.600 2.900 4.300 2.874 2.685 3.009 0.215 21 0 "[ . 1 . 2 ]" 1
82 1 11 C H3' 1 12 U H6 3.500 2.500 4.500 4.032 3.229 4.323 . 0 0 "[ . 1 . 2 ]" 1
83 1 11 C H3' 1 12 U H5 3.500 2.500 4.500 4.110 3.885 4.550 0.050 21 0 "[ . 1 . 2 ]" 1
84 1 11 C H4' 1 12 U H6 5.500 4.000 7.000 5.964 5.926 6.040 . 0 0 "[ . 1 . 2 ]" 1
85 1 12 U H4' 1 13 C H6 5.500 4.000 7.000 5.122 4.906 5.270 . 0 0 "[ . 1 . 2 ]" 1
86 1 11 C H6 1 12 U H6 4.600 3.700 5.500 5.331 4.376 5.609 0.109 21 0 "[ . 1 . 2 ]" 1
87 1 11 C H6 1 12 U H5 4.500 3.000 6.000 4.361 3.395 4.685 . 0 0 "[ . 1 . 2 ]" 1
88 1 11 C H5 1 12 U H5 4.000 3.200 4.800 4.473 3.344 4.824 0.024 10 0 "[ . 1 . 2 ]" 1
89 1 11 C H2' 1 12 U H6 3.100 2.500 3.700 2.443 2.382 2.482 0.118 19 0 "[ . 1 . 2 ]" 1
90 1 12 U H1' 1 13 C H6 4.500 3.000 6.000 5.146 5.033 5.442 . 0 0 "[ . 1 . 2 ]" 1
91 1 12 U H6 1 13 C H6 4.100 3.300 4.900 4.355 4.017 4.526 . 0 0 "[ . 1 . 2 ]" 1
92 1 12 U H6 1 13 C H5 3.500 2.800 4.200 3.603 3.289 4.220 0.020 19 0 "[ . 1 . 2 ]" 1
93 1 12 U H5 1 13 C H6 5.500 4.000 7.000 5.769 5.420 6.053 . 0 0 "[ . 1 . 2 ]" 1
94 1 12 U H5 1 13 C H5 5.500 4.400 6.600 4.528 4.384 4.925 0.016 22 0 "[ . 1 . 2 ]" 1
95 1 12 U H2' 1 13 C H6 2.400 . 2.900 2.480 2.344 2.812 . 0 0 "[ . 1 . 2 ]" 1
96 1 12 U H3' 1 13 C H6 2.400 . 3.000 2.947 2.555 3.124 0.124 19 0 "[ . 1 . 2 ]" 1
97 1 12 U H2' 1 13 C H5 3.500 2.500 4.500 3.542 3.147 4.142 . 0 0 "[ . 1 . 2 ]" 1
98 1 12 U H3' 1 13 C H5 3.500 2.500 4.500 2.803 2.494 3.412 0.006 22 0 "[ . 1 . 2 ]" 1
99 1 13 C H1' 1 14 U H6 3.800 3.000 4.600 4.831 4.674 4.879 0.279 21 0 "[ . 1 . 2 ]" 1
100 1 13 C H5 1 14 U H6 5.500 4.000 7.000 5.746 5.441 5.985 . 0 0 "[ . 1 . 2 ]" 1
101 1 13 C H5 1 14 U H5 4.100 3.300 4.900 4.127 3.245 4.492 0.055 22 0 "[ . 1 . 2 ]" 1
102 1 13 C H6 1 14 U H6 3.800 3.000 4.600 4.681 4.380 4.763 0.163 8 0 "[ . 1 . 2 ]" 1
103 1 13 C H6 1 14 U H5 3.800 3.000 4.600 3.993 2.931 4.410 0.069 22 0 "[ . 1 . 2 ]" 1
104 1 13 C H4' 1 14 U H6 5.500 4.000 7.000 5.487 5.205 5.689 . 0 0 "[ . 1 . 2 ]" 1
105 1 14 U H4' 1 15 C H6 4.500 4.000 6.000 5.137 4.911 5.486 . 0 0 "[ . 1 . 2 ]" 1
106 1 13 C H2' 1 14 U H6 3.200 2.600 3.800 2.235 2.169 2.274 0.431 11 0 "[ . 1 . 2 ]" 1
107 1 13 C H2' 1 14 U H5 3.500 2.500 4.500 3.723 3.443 3.944 . 0 0 "[ . 1 . 2 ]" 1
108 1 14 U H1' 1 15 C H6 4.500 3.600 5.400 4.867 4.743 5.030 . 0 0 "[ . 1 . 2 ]" 1
109 1 14 U H6 1 15 C H6 4.000 3.200 4.800 4.860 4.781 4.925 0.125 14 0 "[ . 1 . 2 ]" 1
110 1 14 U H6 1 15 C H5 4.900 3.900 5.900 4.343 3.657 4.714 0.243 20 0 "[ . 1 . 2 ]" 1
111 1 14 U H2' 1 15 C H6 2.500 . 3.000 2.130 1.993 2.365 0.007 14 0 "[ . 1 . 2 ]" 1
112 1 14 U H3' 1 15 C H6 2.800 2.200 3.400 2.728 2.391 3.025 . 0 0 "[ . 1 . 2 ]" 1
113 1 14 U H1' 1 15 C H5 5.100 4.100 6.100 5.945 5.561 6.122 0.022 11 0 "[ . 1 . 2 ]" 1
114 1 14 U H3' 1 15 C H5 3.300 2.600 4.000 3.305 2.535 3.741 0.065 9 0 "[ . 1 . 2 ]" 1
115 1 15 C H1' 1 16 C H6 3.700 2.900 4.500 4.723 4.698 4.796 0.296 2 0 "[ . 1 . 2 ]" 1
116 1 15 C H6 1 16 C H6 4.500 3.000 6.000 4.713 4.276 5.074 . 0 0 "[ . 1 . 2 ]" 1
117 1 15 C H6 1 16 C H5 5.000 4.000 6.000 4.046 3.967 4.207 0.033 8 0 "[ . 1 . 2 ]" 1
118 1 15 C H5 1 16 C H5 3.500 2.800 4.200 4.254 3.969 4.367 0.167 13 0 "[ . 1 . 2 ]" 1
119 1 15 C H2' 1 16 C H6 2.600 2.100 3.100 2.003 1.970 2.107 0.130 3 0 "[ . 1 . 2 ]" 1
120 1 15 C H3' 1 16 C H6 2.500 . 3.000 2.790 2.401 3.017 0.017 23 0 "[ . 1 . 2 ]" 1
121 1 15 C H3' 1 16 C H5 3.500 2.500 4.500 3.510 3.144 3.966 . 0 0 "[ . 1 . 2 ]" 1
122 1 16 C H1' 1 17 C H6 3.500 2.500 4.500 4.728 4.595 4.854 0.354 15 0 "[ . 1 . 2 ]" 1
123 1 16 C H6 1 17 C H6 4.400 3.500 5.300 5.048 3.771 5.535 0.235 4 0 "[ . 1 . 2 ]" 1
124 1 16 C H2' 1 17 C H6 3.500 2.500 4.500 2.200 2.058 2.641 0.442 16 0 "[ . 1 . 2 ]" 1
125 1 16 C H2' 1 17 C H5 3.500 2.500 4.500 3.188 2.489 4.474 0.011 17 0 "[ . 1 . 2 ]" 1
126 1 16 C H3' 1 17 C H6 3.500 2.500 4.500 3.172 2.312 3.592 0.188 15 0 "[ . 1 . 2 ]" 1
127 1 16 C H6 1 17 C H5 3.500 2.500 4.500 4.212 3.296 4.686 0.186 6 0 "[ . 1 . 2 ]" 1
128 1 17 C H1' 1 18 C H6 4.400 . 7.000 4.970 4.848 5.151 . 0 0 "[ . 1 . 2 ]" 1
129 1 17 C H6 1 18 C H5 3.500 2.500 4.500 3.889 2.983 4.571 0.071 5 0 "[ . 1 . 2 ]" 1
130 1 17 C H3' 1 18 C H5 4.500 3.000 6.000 3.389 3.308 3.777 . 0 0 "[ . 1 . 2 ]" 1
131 1 18 C H1' 1 19 C H6 4.400 . 7.000 4.863 4.745 5.026 . 0 0 "[ . 1 . 2 ]" 1
132 1 18 C H3' 1 19 C H6 4.400 . 7.000 3.447 1.857 4.125 . 0 0 "[ . 1 . 2 ]" 1
133 1 35 A H2 1 36 U H1' . 5.000 5.200 5.271 4.960 5.390 0.190 11 0 "[ . 1 . 2 ]" 1
134 1 19 C H5 1 20 C H5 4.200 3.400 5.000 4.646 3.468 5.064 0.064 12 0 "[ . 1 . 2 ]" 1
135 1 19 C H1' 1 20 C H6 3.500 2.500 4.500 4.665 3.654 4.742 0.242 5 0 "[ . 1 . 2 ]" 1
136 1 20 C H1' 1 35 A H2 3.200 2.600 3.800 3.809 3.480 3.924 0.124 2 0 "[ . 1 . 2 ]" 1
137 1 20 C H3' 1 35 A H2 4.800 4.000 5.800 6.050 5.946 6.162 0.362 14 0 "[ . 1 . 2 ]" 1
138 1 20 C H1' 1 36 U H5 6.500 5.000 8.000 5.009 4.926 5.463 0.074 2 0 "[ . 1 . 2 ]" 1
139 1 20 C H1' 1 21 C H6 4.000 3.200 4.800 5.086 4.940 5.211 0.411 17 0 "[ . 1 . 2 ]" 1
140 1 20 C H1' 1 21 C H5 4.400 . 7.000 6.282 5.427 6.549 . 0 0 "[ . 1 . 2 ]" 1
141 1 20 C H3' 1 21 C H6 4.500 3.000 6.000 3.362 3.208 3.852 . 0 0 "[ . 1 . 2 ]" 1
142 1 20 C H3' 1 21 C H5 4.500 3.000 6.000 4.383 3.358 5.337 . 0 0 "[ . 1 . 2 ]" 1
143 1 20 C H6 1 35 A H2 5.200 4.200 6.200 6.220 6.098 6.300 0.100 21 0 "[ . 1 . 2 ]" 1
144 1 21 C H6 1 35 A H2 4.800 3.800 5.800 4.965 4.484 5.342 . 0 0 "[ . 1 . 2 ]" 1
145 1 20 C H6 1 36 U H5 5.500 4.000 7.000 6.785 6.561 6.875 . 0 0 "[ . 1 . 2 ]" 1
146 1 20 C H5 1 35 A H2 5.500 4.000 7.000 6.893 6.797 7.051 0.051 12 0 "[ . 1 . 2 ]" 1
147 1 20 C H2' 1 35 A H2 3.200 2.600 3.800 3.824 3.695 3.946 0.146 17 0 "[ . 1 . 2 ]" 1
148 1 20 C H2' 1 21 C H6 2.700 2.200 3.200 2.592 2.445 2.831 . 0 0 "[ . 1 . 2 ]" 1
149 1 21 C H5 1 35 A H2 6.200 5.000 7.400 6.573 4.885 7.256 0.115 2 0 "[ . 1 . 2 ]" 1
150 1 23 U H6 1 24 U H6 4.500 3.600 5.400 4.957 4.118 5.464 0.064 15 0 "[ . 1 . 2 ]" 1
151 1 23 U H1' 1 24 U H1' 5.300 4.200 6.400 6.477 6.404 6.652 0.252 15 0 "[ . 1 . 2 ]" 1
152 1 23 U H1' 1 24 U H6 3.600 2.900 4.300 4.570 4.492 4.631 0.331 9 0 "[ . 1 . 2 ]" 1
153 1 23 U H2' 1 24 U H6 3.500 2.500 4.500 2.382 2.184 3.134 0.316 21 0 "[ . 1 . 2 ]" 1
154 1 23 U H3' 1 24 U H6 3.000 2.400 3.600 3.201 2.460 3.710 0.110 21 0 "[ . 1 . 2 ]" 1
155 1 23 U H3' 1 24 U H5 3.500 2.500 4.500 3.490 2.522 4.076 . 0 0 "[ . 1 . 2 ]" 1
156 1 23 U H2' 1 24 U H5 3.500 2.500 4.500 2.954 2.368 4.192 0.132 16 0 "[ . 1 . 2 ]" 1
157 1 23 U H6 1 24 U H5 4.500 3.000 6.000 4.057 3.287 4.788 . 0 0 "[ . 1 . 2 ]" 1
158 1 24 U H3' 1 25 U H6 3.600 2.200 5.000 2.692 2.138 3.943 0.062 24 0 "[ . 1 . 2 ]" 1
159 1 24 U H1' 1 25 U H6 3.500 2.500 4.500 4.718 4.637 4.809 0.309 21 0 "[ . 1 . 2 ]" 1
160 1 24 U H2' 1 25 U H6 3.000 . 4.000 2.043 1.897 2.294 0.103 10 0 "[ . 1 . 2 ]" 1
161 1 24 U H6 1 25 U H6 4.700 3.800 5.600 4.609 3.867 5.438 . 0 0 "[ . 1 . 2 ]" 1
162 1 24 U H2' 1 25 U H5 3.500 2.500 4.500 3.058 2.845 3.471 . 0 0 "[ . 1 . 2 ]" 1
163 1 24 U H3' 1 25 U H5 3.500 2.500 4.500 3.176 2.569 4.531 0.031 23 0 "[ . 1 . 2 ]" 1
164 1 25 U H1' 1 41 A H2 3.800 3.000 4.600 3.140 2.917 3.760 0.083 7 0 "[ . 1 . 2 ]" 1
165 1 25 U H2' 1 26 C H1' 4.500 3.000 6.000 3.389 3.222 3.628 . 0 0 "[ . 1 . 2 ]" 1
166 1 25 U H2' 1 26 C H6 3.100 2.500 3.700 2.233 2.176 2.333 0.324 10 0 "[ . 1 . 2 ]" 1
167 1 25 U H1' 1 26 C H6 3.500 2.500 4.500 4.819 4.747 4.866 0.366 21 0 "[ . 1 . 2 ]" 1
168 1 25 U H1' 1 26 C H5 5.000 4.000 6.000 5.386 5.113 5.707 . 0 0 "[ . 1 . 2 ]" 1
169 1 25 U H3' 1 26 C H6 3.500 2.500 4.500 2.485 2.190 2.792 0.310 21 0 "[ . 1 . 2 ]" 1
170 1 26 C H1' 1 40 A H2 3.400 2.700 4.100 4.181 3.867 4.334 0.234 7 0 "[ . 1 . 2 ]" 1
171 1 26 C H1' 1 27 C H6 3.500 2.500 4.500 4.678 4.611 4.744 0.244 12 0 "[ . 1 . 2 ]" 1
172 1 26 C H6 1 27 C H6 5.500 4.000 7.000 5.035 4.308 5.315 . 0 0 "[ . 1 . 2 ]" 1
173 1 26 C H3' 1 27 C H6 3.500 2.500 4.500 3.254 2.481 3.928 0.019 18 0 "[ . 1 . 2 ]" 1
174 1 27 C H1' 1 28 G H8 4.500 3.600 5.400 4.938 4.894 5.005 . 0 0 "[ . 1 . 2 ]" 1
175 1 27 C H1' 1 28 G H1' 6.900 5.500 8.300 5.416 5.297 5.461 0.203 17 0 "[ . 1 . 2 ]" 1
176 1 28 G H1' 1 29 A H8 4.400 . 7.000 4.728 4.111 4.879 . 0 0 "[ . 1 . 2 ]" 1
177 1 29 A H2 1 35 A H2 5.000 3.500 6.500 6.028 5.795 6.494 . 0 0 "[ . 1 . 2 ]" 1
178 1 29 A H2 1 37 C H1' 3.900 3.100 4.700 3.505 3.226 4.426 . 0 0 "[ . 1 . 2 ]" 1
179 1 29 A H2 1 30 G H1' 3.800 3.000 4.600 3.254 3.094 3.363 . 0 0 "[ . 1 . 2 ]" 1
180 1 29 A H2 1 30 G H3' 5.500 4.000 7.000 7.020 6.871 7.106 0.106 2 0 "[ . 1 . 2 ]" 1
181 1 29 A H2 1 30 G H2' 4.500 3.000 6.000 5.822 5.546 6.012 0.012 12 0 "[ . 1 . 2 ]" 1
182 1 29 A H2' 1 30 G H8 3.500 2.500 4.500 2.413 2.343 2.683 0.157 4 0 "[ . 1 . 2 ]" 1
183 1 30 G H1' 1 35 A H2 5.000 4.000 6.000 6.249 6.172 6.341 0.341 24 0 "[ . 1 . 2 ]" 1
184 1 30 G H1' 1 31 G H8 4.700 3.800 5.600 5.080 5.000 5.169 . 0 0 "[ . 1 . 2 ]" 1
185 1 30 G H8 1 31 G H8 5.500 4.000 7.000 4.970 4.232 5.561 . 0 0 "[ . 1 . 2 ]" 1
186 1 30 G H2' 1 31 G H8 3.500 2.500 4.500 2.406 2.344 2.713 0.156 4 0 "[ . 1 . 2 ]" 1
187 1 30 G H3' 1 31 G H8 3.200 2.600 3.800 2.878 2.672 3.217 . 0 0 "[ . 1 . 2 ]" 1
188 1 30 G H1' 1 31 G H1' 5.500 4.000 7.000 5.136 4.470 6.091 . 0 0 "[ . 1 . 2 ]" 1
189 1 31 G H1' 1 32 G H8 4.500 3.000 6.000 5.218 4.793 5.667 . 0 0 "[ . 1 . 2 ]" 1
190 1 31 G H2' 1 32 G H8 4.400 . 7.000 2.636 2.222 3.091 . 0 0 "[ . 1 . 2 ]" 1
191 1 31 G H3' 1 32 G H8 4.700 3.800 5.600 3.663 3.587 3.744 0.213 20 0 "[ . 1 . 2 ]" 1
192 1 31 G H8 1 32 G H8 5.500 4.000 7.000 5.437 4.883 6.302 . 0 0 "[ . 1 . 2 ]" 1
193 1 33 U H6 1 34 C H5 5.500 4.000 7.000 5.930 4.060 7.031 0.031 1 0 "[ . 1 . 2 ]" 1
194 1 33 U H2' 1 34 C H6 4.100 3.300 4.900 4.345 3.213 5.117 0.217 22 0 "[ . 1 . 2 ]" 1
195 1 33 U H2' 1 34 C H5 4.500 3.000 6.000 3.851 2.960 5.434 0.040 15 0 "[ . 1 . 2 ]" 1
196 1 34 C H6 1 35 A H8 4.000 3.000 5.000 3.878 2.968 4.668 0.032 1 0 "[ . 1 . 2 ]" 1
197 1 34 C H5 1 35 A H8 4.500 3.500 5.500 4.517 3.315 5.762 0.262 21 0 "[ . 1 . 2 ]" 1
198 1 34 C H2' 1 35 A H1' 3.100 2.500 3.700 3.857 3.760 4.110 0.410 21 0 "[ . 1 . 2 ]" 1
199 1 34 C H2' 1 35 A H8 3.600 2.600 4.600 2.481 2.369 2.779 0.231 6 0 "[ . 1 . 2 ]" 1
200 1 34 C H3' 1 35 A H8 4.400 3.200 5.600 3.136 2.792 3.441 0.408 22 0 "[ . 1 . 2 ]" 1
201 1 34 C H4' 1 35 A H8 5.500 4.000 7.000 5.650 4.739 5.860 . 0 0 "[ . 1 . 2 ]" 1
202 1 34 C H1' 1 35 A H8 4.500 3.000 6.000 5.116 4.831 5.546 . 0 0 "[ . 1 . 2 ]" 1
203 1 35 A H2 1 36 U H6 5.800 4.600 7.000 4.596 4.432 4.883 0.168 17 0 "[ . 1 . 2 ]" 1
204 1 35 A H2 1 36 U H5 3.800 3.000 4.600 3.552 3.236 4.147 . 0 0 "[ . 1 . 2 ]" 1
205 1 35 A H8 1 36 U H6 5.500 4.000 7.000 6.803 6.721 6.890 . 0 0 "[ . 1 . 2 ]" 1
206 1 36 U H1' 1 37 C H6 3.500 2.500 4.500 4.646 4.616 4.750 0.250 12 0 "[ . 1 . 2 ]" 1
207 1 36 U H5 1 37 C H6 4.600 3.700 5.500 5.633 5.386 5.718 0.218 10 0 "[ . 1 . 2 ]" 1
208 1 37 C H1' 1 38 G H1' 5.700 4.600 6.800 5.649 4.979 6.089 . 0 0 "[ . 1 . 2 ]" 1
209 1 37 C H2' 1 38 G H1' 5.500 4.000 7.000 4.268 4.218 4.468 . 0 0 "[ . 1 . 2 ]" 1
210 1 37 C H2' 1 38 G H8 3.500 2.500 4.500 2.388 2.361 2.415 0.139 14 0 "[ . 1 . 2 ]" 1
211 1 37 C H1' 1 38 G H8 4.400 . 7.000 5.117 4.925 5.178 . 0 0 "[ . 1 . 2 ]" 1
212 1 38 G H1' 1 39 G H8 4.300 3.400 5.200 4.807 4.674 5.091 . 0 0 "[ . 1 . 2 ]" 1
213 1 39 G H1' 1 40 A H1' 5.000 4.000 6.000 6.093 5.646 6.435 0.435 21 0 "[ . 1 . 2 ]" 1
214 1 39 G H1' 1 40 A H8 4.200 3.400 5.000 4.741 3.336 5.055 0.064 8 0 "[ . 1 . 2 ]" 1
215 1 39 G H8 1 40 A H8 5.500 4.000 7.000 5.521 4.617 6.254 . 0 0 "[ . 1 . 2 ]" 1
216 1 39 G H2' 1 40 A H8 3.500 2.500 4.500 2.365 2.310 2.475 0.190 22 0 "[ . 1 . 2 ]" 1
217 1 40 A H1' 1 41 A H8 3.500 2.500 4.500 4.615 4.526 4.718 0.218 2 0 "[ . 1 . 2 ]" 1
218 1 40 A H2 1 41 A H2' 4.000 3.200 4.800 4.982 4.925 5.056 0.256 10 0 "[ . 1 . 2 ]" 1
219 1 41 A H2' 1 42 C H5 4.100 3.300 4.900 3.576 3.383 3.905 . 0 0 "[ . 1 . 2 ]" 1
220 1 40 A H2 1 41 A H1' 3.700 3.000 4.400 2.897 2.807 2.954 0.193 1 0 "[ . 1 . 2 ]" 1
221 1 40 A H2 1 41 A H2 3.500 2.800 4.200 3.502 2.888 4.244 0.044 7 0 "[ . 1 . 2 ]" 1
222 1 40 A H2 1 41 A H8 4.500 3.600 5.400 4.953 4.196 5.407 0.007 4 0 "[ . 1 . 2 ]" 1
223 1 40 A H8 1 41 A H8 5.500 4.400 6.600 5.332 4.409 5.938 . 0 0 "[ . 1 . 2 ]" 1
224 1 40 A H2' 1 41 A H8 2.900 2.300 3.500 2.149 2.089 2.209 0.211 14 0 "[ . 1 . 2 ]" 1
225 1 40 A H3' 1 41 A H8 4.000 3.200 4.800 3.559 3.162 3.754 0.038 21 0 "[ . 1 . 2 ]" 1
226 1 40 A H4' 1 41 A H8 5.500 4.000 7.000 5.608 5.431 5.989 . 0 0 "[ . 1 . 2 ]" 1
227 1 41 A H1' 1 42 C H6 4.600 3.700 5.500 5.254 5.166 5.346 . 0 0 "[ . 1 . 2 ]" 1
228 1 41 A H1' 1 42 C H5 4.700 3.800 5.600 5.616 5.467 5.675 0.075 21 0 "[ . 1 . 2 ]" 1
229 1 41 A H2 1 42 C H1' 5.600 4.500 6.700 5.581 4.483 6.311 0.017 7 0 "[ . 1 . 2 ]" 1
230 1 41 A H2 1 42 C H6 5.300 4.200 6.400 6.276 5.605 6.475 0.075 17 0 "[ . 1 . 2 ]" 1
231 1 41 A H2 1 42 C H5 5.700 4.600 6.800 6.469 6.219 6.720 . 0 0 "[ . 1 . 2 ]" 1
232 1 41 A H8 1 42 C H6 3.900 3.100 4.700 4.692 4.424 4.770 0.070 18 0 "[ . 1 . 2 ]" 1
233 1 41 A H8 1 42 C H5 3.800 3.200 4.600 3.434 3.201 3.572 . 0 0 "[ . 1 . 2 ]" 1
234 1 41 A H2' 1 42 C H6 2.900 2.300 3.500 2.545 2.426 2.685 . 0 0 "[ . 1 . 2 ]" 1
235 1 41 A H3' 1 42 C H6 3.300 2.600 4.000 3.196 2.829 3.340 . 0 0 "[ . 1 . 2 ]" 1
236 1 41 A H1' 1 42 C H1' 5.500 4.000 7.000 6.861 6.488 7.086 0.086 21 0 "[ . 1 . 2 ]" 1
237 1 41 A H3' 1 42 C H5 4.500 3.600 5.400 3.550 3.489 3.578 0.111 21 0 "[ . 1 . 2 ]" 1
238 1 41 A H4' 1 42 C H6 5.500 4.000 7.000 5.845 5.671 5.932 . 0 0 "[ . 1 . 2 ]" 1
239 1 42 C H1' 1 43 C H6 3.400 2.700 4.100 4.521 4.489 4.578 0.478 21 0 "[ . 1 . 2 ]" 1
240 1 42 C H6 1 43 C H6 4.200 3.400 5.000 4.475 4.046 4.635 . 0 0 "[ . 1 . 2 ]" 1
241 1 42 C H6 1 43 C H5 3.900 3.100 4.700 3.803 3.087 4.073 0.013 10 0 "[ . 1 . 2 ]" 1
242 1 42 C H5 1 43 C H5 3.700 3.000 4.400 4.240 2.989 4.457 0.057 2 0 "[ . 1 . 2 ]" 1
243 1 42 C H3' 1 43 C H6 2.600 2.100 3.100 3.200 3.154 3.359 0.259 23 0 "[ . 1 . 2 ]" 1
244 1 42 C H2' 1 43 C H6 2.600 2.100 3.100 1.925 1.847 2.028 0.253 17 0 "[ . 1 . 2 ]" 1
245 1 42 C H2' 1 43 C H5 4.000 3.200 4.800 3.118 3.018 3.183 0.182 2 0 "[ . 1 . 2 ]" 1
246 1 42 C H3' 1 43 C H5 3.200 2.600 3.800 3.357 3.182 3.754 . 0 0 "[ . 1 . 2 ]" 1
247 1 42 C H4' 1 43 C H6 5.500 4.000 7.000 5.274 5.178 5.510 . 0 0 "[ . 1 . 2 ]" 1
248 1 43 C H1' 1 44 A H1' 5.800 4.600 7.000 6.923 5.777 7.077 0.077 24 0 "[ . 1 . 2 ]" 1
249 1 43 C H1' 1 44 A H8 4.300 3.400 5.200 4.843 4.123 5.216 0.016 4 0 "[ . 1 . 2 ]" 1
250 1 43 C H6 1 44 A H8 4.400 3.500 5.300 5.017 3.485 5.412 0.112 5 0 "[ . 1 . 2 ]" 1
251 1 43 C H2' 1 44 A H8 2.900 2.300 3.500 2.460 2.191 3.046 0.109 5 0 "[ . 1 . 2 ]" 1
252 1 43 C H3' 1 44 A H8 2.900 2.300 3.500 3.158 2.832 3.559 0.059 5 0 "[ . 1 . 2 ]" 1
253 1 43 C H4' 1 44 A H8 5.500 4.000 7.000 5.031 4.282 6.107 . 0 0 "[ . 1 . 2 ]" 1
254 1 1 G H1' 1 1 G H8 3.800 3.000 4.600 3.686 3.628 3.713 . 0 0 "[ . 1 . 2 ]" 1
255 1 1 G H2' 1 1 G H8 3.700 3.000 4.400 3.771 3.304 4.144 . 0 0 "[ . 1 . 2 ]" 1
256 1 1 G H4' 1 1 G H8 3.500 2.500 4.500 4.297 3.926 4.589 0.089 8 0 "[ . 1 . 2 ]" 1
257 1 2 G H1' 1 2 G H8 3.900 3.200 4.600 3.741 3.723 3.793 . 0 0 "[ . 1 . 2 ]" 1
258 1 2 G H2' 1 2 G H8 3.000 2.400 3.600 3.769 3.710 3.816 0.216 21 0 "[ . 1 . 2 ]" 1
259 1 2 G H3' 1 2 G H8 3.500 2.500 4.500 3.369 2.824 3.899 . 0 0 "[ . 1 . 2 ]" 1
260 1 3 G H1' 1 3 G H8 3.900 3.100 4.700 3.751 3.676 3.769 . 0 0 "[ . 1 . 2 ]" 1
261 1 3 G H2' 1 3 G H8 3.100 2.500 3.700 3.740 3.626 3.839 0.139 20 0 "[ . 1 . 2 ]" 1
262 1 3 G H3' 1 3 G H8 3.500 2.800 4.200 3.492 3.257 4.058 . 0 0 "[ . 1 . 2 ]" 1
263 1 3 G H4' 1 3 G H8 3.500 2.500 4.500 4.512 4.416 4.711 0.211 12 0 "[ . 1 . 2 ]" 1
264 1 4 A H2 1 4 A H2' 4.700 3.800 5.600 4.876 4.634 4.959 . 0 0 "[ . 1 . 2 ]" 1
265 1 4 A H2' 1 4 A H8 3.500 2.500 4.500 3.815 3.790 3.867 . 0 0 "[ . 1 . 2 ]" 1
266 1 4 A H1' 1 4 A H2 4.900 3.900 5.900 4.693 4.672 4.744 . 0 0 "[ . 1 . 2 ]" 1
267 1 4 A H1' 1 4 A H8 3.800 3.000 4.600 3.737 3.700 3.748 . 0 0 "[ . 1 . 2 ]" 1
268 1 4 A H3' 1 4 A H8 3.200 2.600 3.800 2.951 2.553 3.118 0.047 10 0 "[ . 1 . 2 ]" 1
269 1 4 A H4' 1 4 A H8 3.500 2.500 4.500 4.187 4.050 4.288 . 0 0 "[ . 1 . 2 ]" 1
270 1 5 G H4' 1 5 G H8 3.900 3.100 4.700 4.470 4.388 4.538 . 0 0 "[ . 1 . 2 ]" 1
271 1 5 G H1' 1 5 G H8 3.700 3.000 4.400 3.725 3.661 3.744 . 0 0 "[ . 1 . 2 ]" 1
272 1 5 G H2' 1 5 G H8 3.400 2.800 4.000 3.849 3.789 3.967 . 0 0 "[ . 1 . 2 ]" 1
273 1 6 C H1' 1 6 C H6 3.400 2.800 4.000 3.693 3.652 3.743 . 0 0 "[ . 1 . 2 ]" 1
274 1 6 C H2' 1 6 C H6 2.800 2.200 3.400 3.199 2.631 3.461 0.061 12 0 "[ . 1 . 2 ]" 1
275 1 6 C H3' 1 6 C H6 2.500 . 3.000 2.502 2.154 2.910 . 0 0 "[ . 1 . 2 ]" 1
276 1 6 C H4' 1 6 C H6 3.500 2.500 4.500 4.038 3.932 4.291 . 0 0 "[ . 1 . 2 ]" 1
277 1 7 U H4' 1 7 U H6 4.100 3.300 4.900 4.183 4.132 4.240 . 0 0 "[ . 1 . 2 ]" 1
278 1 7 U H2' 1 7 U H6 4.100 3.300 4.900 3.242 3.187 3.287 0.113 15 0 "[ . 1 . 2 ]" 1
279 1 7 U H1' 1 7 U H6 3.400 2.700 4.100 3.717 3.701 3.731 . 0 0 "[ . 1 . 2 ]" 1
280 1 7 U H3' 1 7 U H6 3.500 2.800 4.200 2.732 2.660 2.784 0.140 15 0 "[ . 1 . 2 ]" 1
281 1 8 C H4' 1 8 C H6 3.500 2.800 4.200 4.219 4.031 4.292 0.092 15 0 "[ . 1 . 2 ]" 1
282 1 8 C H1' 1 8 C H6 3.200 2.600 3.800 3.661 3.623 3.675 . 0 0 "[ . 1 . 2 ]" 1
283 1 8 C H2' 1 8 C H6 3.000 2.400 3.600 2.564 2.303 3.445 0.097 13 0 "[ . 1 . 2 ]" 1
284 1 8 C H3' 1 8 C H6 3.200 2.600 3.800 3.088 2.625 3.721 . 0 0 "[ . 1 . 2 ]" 1
285 1 8 C H1' 1 8 C H5 4.200 3.400 5.000 5.348 5.313 5.357 0.357 5 0 "[ . 1 . 2 ]" 1
286 1 9 A H4' 1 9 A H8 4.200 3.400 5.000 4.543 4.414 4.632 . 0 0 "[ . 1 . 2 ]" 1
287 1 9 A H1' 1 9 A H2 4.200 3.400 5.000 5.023 4.970 5.048 0.048 16 0 "[ . 1 . 2 ]" 1
288 1 9 A H1' 1 9 A H8 3.600 2.900 4.300 3.559 3.538 3.603 . 0 0 "[ . 1 . 2 ]" 1
289 1 9 A H2' 1 9 A H8 4.700 3.800 5.600 4.161 4.096 4.206 . 0 0 "[ . 1 . 2 ]" 1
290 1 9 A H3' 1 9 A H8 3.200 2.600 3.800 3.885 3.800 3.950 0.150 12 0 "[ . 1 . 2 ]" 1
291 1 10 A H4' 1 10 A H8 3.900 3.100 4.700 4.403 4.261 4.631 . 0 0 "[ . 1 . 2 ]" 1
292 1 10 A H2 1 10 A H2' 4.100 3.300 4.900 4.467 4.262 4.540 . 0 0 "[ . 1 . 2 ]" 1
293 1 10 A H3' 1 10 A H8 4.500 3.000 6.000 3.390 3.268 3.722 . 0 0 "[ . 1 . 2 ]" 1
294 1 10 A H1' 1 10 A H8 3.800 3.000 4.600 3.726 3.676 3.741 . 0 0 "[ . 1 . 2 ]" 1
295 1 10 A H2' 1 10 A H8 3.800 3.000 4.600 3.932 3.886 4.002 . 0 0 "[ . 1 . 2 ]" 1
296 1 11 C H1' 1 11 C H6 3.700 3.000 4.400 3.682 3.609 3.704 . 0 0 "[ . 1 . 2 ]" 1
297 1 11 C H2' 1 11 C H6 3.400 2.700 4.100 3.294 3.222 3.500 . 0 0 "[ . 1 . 2 ]" 1
298 1 11 C H3' 1 11 C H6 3.500 2.500 4.500 2.557 2.458 2.910 0.042 16 0 "[ . 1 . 2 ]" 1
299 1 11 C H1' 1 11 C H5 6.700 5.400 8.000 5.401 5.360 5.414 0.040 13 0 "[ . 1 . 2 ]" 1
300 1 11 C H3' 1 11 C H5 4.500 3.500 5.500 4.622 4.526 5.000 . 0 0 "[ . 1 . 2 ]" 1
301 1 11 C H4' 1 11 C H6 3.500 2.500 4.500 4.005 3.712 4.158 . 0 0 "[ . 1 . 2 ]" 1
302 1 12 U H4' 1 12 U H6 3.600 2.900 4.300 4.162 4.113 4.338 0.038 2 0 "[ . 1 . 2 ]" 1
303 1 12 U H1' 1 12 U H6 4.000 3.200 4.800 3.729 3.719 3.756 . 0 0 "[ . 1 . 2 ]" 1
304 1 12 U H2' 1 12 U H6 2.800 2.200 3.400 2.821 2.547 2.929 . 0 0 "[ . 1 . 2 ]" 1
305 1 12 U H3' 1 12 U H6 2.500 . 3.000 2.227 2.027 2.356 . 0 0 "[ . 1 . 2 ]" 1
306 1 12 U H3' 1 12 U H5 3.500 2.500 4.500 4.453 4.168 4.553 0.053 21 0 "[ . 1 . 2 ]" 1
307 1 13 C H1' 1 13 C H6 3.800 3.000 4.600 3.598 3.532 3.615 . 0 0 "[ . 1 . 2 ]" 1
308 1 13 C H1' 1 13 C H5 5.000 4.000 6.000 5.300 5.233 5.313 . 0 0 "[ . 1 . 2 ]" 1
309 1 13 C H2' 1 13 C H6 3.500 2.500 4.500 3.715 3.655 3.891 . 0 0 "[ . 1 . 2 ]" 1
310 1 13 C H3' 1 13 C H6 3.500 2.500 4.500 2.686 2.534 3.077 . 0 0 "[ . 1 . 2 ]" 1
311 1 13 C H4' 1 13 C H6 3.500 2.500 4.500 3.774 3.714 3.898 . 0 0 "[ . 1 . 2 ]" 1
312 1 14 U H4' 1 14 U H6 3.700 3.000 4.400 4.166 4.091 4.343 . 0 0 "[ . 1 . 2 ]" 1
313 1 14 U H1' 1 14 U H6 4.000 3.200 4.800 3.624 3.602 3.707 . 0 0 "[ . 1 . 2 ]" 1
314 1 14 U H2' 1 14 U H6 3.400 2.700 4.100 3.703 3.589 3.791 . 0 0 "[ . 1 . 2 ]" 1
315 1 14 U H3' 1 14 U H6 3.700 3.000 4.400 2.966 2.653 3.055 0.347 11 0 "[ . 1 . 2 ]" 1
316 1 15 C H1' 1 15 C H6 4.400 . 7.000 3.598 3.579 3.617 . 0 0 "[ . 1 . 2 ]" 1
317 1 15 C H2' 1 15 C H6 3.100 2.500 3.700 3.708 3.679 3.735 0.035 22 0 "[ . 1 . 2 ]" 1
318 1 15 C H3' 1 15 C H6 3.700 3.000 4.400 3.090 2.942 3.239 0.058 10 0 "[ . 1 . 2 ]" 1
319 1 15 C H4' 1 15 C H6 3.500 2.500 4.500 4.140 4.002 4.240 . 0 0 "[ . 1 . 2 ]" 1
320 1 16 C H1' 1 16 C H6 3.500 2.500 4.500 3.596 3.578 3.627 . 0 0 "[ . 1 . 2 ]" 1
321 1 16 C H2' 1 16 C H6 3.500 2.500 4.500 3.657 3.550 3.782 . 0 0 "[ . 1 . 2 ]" 1
322 1 16 C H3' 1 16 C H6 3.500 2.500 4.500 3.103 2.670 3.426 . 0 0 "[ . 1 . 2 ]" 1
323 1 16 C H4' 1 16 C H6 3.500 2.500 4.500 4.239 4.039 4.501 0.001 15 0 "[ . 1 . 2 ]" 1
324 1 17 C H1' 1 17 C H6 3.200 2.600 3.800 3.599 3.573 3.632 . 0 0 "[ . 1 . 2 ]" 1
325 1 17 C H2' 1 17 C H6 3.500 2.500 4.500 3.687 3.616 3.760 . 0 0 "[ . 1 . 2 ]" 1
326 1 17 C H4' 1 17 C H6 3.500 2.500 4.500 4.157 3.949 4.322 . 0 0 "[ . 1 . 2 ]" 1
327 1 18 C H1' 1 18 C H6 3.500 2.800 4.200 3.583 3.571 3.613 . 0 0 "[ . 1 . 2 ]" 1
328 1 18 C H3' 1 18 C H6 3.700 3.000 4.400 3.281 2.892 3.480 0.108 14 0 "[ . 1 . 2 ]" 1
329 1 18 C H2' 1 18 C H6 3.900 3.100 4.700 3.740 3.673 3.800 . 0 0 "[ . 1 . 2 ]" 1
330 1 18 C H1' 1 18 C H5 5.500 4.300 6.700 5.280 5.263 5.326 . 0 0 "[ . 1 . 2 ]" 1
331 1 19 C H1' 1 19 C H6 3.500 2.500 4.500 3.608 3.599 3.616 . 0 0 "[ . 1 . 2 ]" 1
332 1 20 C H1' 1 20 C H6 3.900 3.100 4.700 3.553 3.520 3.609 . 0 0 "[ . 1 . 2 ]" 1
333 1 20 C H2' 1 20 C H6 2.800 2.200 3.400 3.607 3.497 3.657 0.257 20 0 "[ . 1 . 2 ]" 1
334 1 20 C H3' 1 20 C H6 3.500 2.500 4.500 2.933 2.615 3.181 . 0 0 "[ . 1 . 2 ]" 1
335 1 21 C H2' 1 21 C H6 3.700 3.000 4.400 4.218 3.418 4.277 . 0 0 "[ . 1 . 2 ]" 1
336 1 22 U H4' 1 22 U H6 5.500 4.300 6.700 4.245 4.215 4.266 0.085 23 0 "[ . 1 . 2 ]" 1
337 1 22 U H1' 1 22 U H6 3.200 2.600 3.600 3.459 3.343 3.666 0.066 5 0 "[ . 1 . 2 ]" 1
338 1 22 U H2' 1 22 U H6 3.600 3.000 4.300 3.603 2.977 3.896 0.023 5 0 "[ . 1 . 2 ]" 1
339 1 23 U H4' 1 23 U H6 3.300 2.600 4.000 4.044 3.982 4.114 0.114 14 0 "[ . 1 . 2 ]" 1
340 1 23 U H1' 1 23 U H6 3.600 2.900 4.300 3.613 3.435 3.693 . 0 0 "[ . 1 . 2 ]" 1
341 1 23 U H3' 1 23 U H6 2.700 2.200 3.200 2.822 2.388 3.341 0.141 5 0 "[ . 1 . 2 ]" 1
342 1 23 U H2' 1 23 U H6 3.500 2.500 4.500 3.414 2.779 4.021 . 0 0 "[ . 1 . 2 ]" 1
343 1 24 U H1' 1 24 U H5 4.900 3.900 5.900 5.354 5.298 5.436 . 0 0 "[ . 1 . 2 ]" 1
344 1 24 U H1' 1 24 U H6 3.800 3.000 4.600 3.592 3.528 3.722 . 0 0 "[ . 1 . 2 ]" 1
345 1 24 U H2' 1 24 U H6 3.500 2.600 4.000 3.633 2.799 3.926 . 0 0 "[ . 1 . 2 ]" 1
346 1 24 U H3' 1 24 U H6 2.400 . 3.000 2.998 2.202 3.173 0.173 15 0 "[ . 1 . 2 ]" 1
347 1 25 U H1' 1 25 U H6 3.200 2.600 3.800 3.569 3.552 3.587 . 0 0 "[ . 1 . 2 ]" 1
348 1 25 U H3' 1 25 U H6 3.700 3.000 4.400 3.038 2.920 3.148 0.080 8 0 "[ . 1 . 2 ]" 1
349 1 25 U H2' 1 25 U H6 3.500 2.500 4.500 3.831 3.795 3.857 . 0 0 "[ . 1 . 2 ]" 1
350 1 25 U H4' 1 25 U H6 3.500 2.500 4.500 4.182 4.103 4.242 . 0 0 "[ . 1 . 2 ]" 1
351 1 26 C H1' 1 26 C H6 3.500 2.500 4.500 3.618 3.586 3.676 . 0 0 "[ . 1 . 2 ]" 1
352 1 26 C H3' 1 26 C H6 3.500 2.500 4.500 3.107 2.667 3.376 . 0 0 "[ . 1 . 2 ]" 1
353 1 27 C H1' 1 27 C H6 3.500 2.500 4.500 3.560 3.520 3.586 . 0 0 "[ . 1 . 2 ]" 1
354 1 28 G H1' 1 28 G H8 3.500 2.500 4.500 3.764 3.732 3.777 . 0 0 "[ . 1 . 2 ]" 1
355 1 29 A H1' 1 29 A H8 3.800 3.000 4.600 3.762 3.747 3.835 . 0 0 "[ . 1 . 2 ]" 1
356 1 29 A H2' 1 29 A H8 3.800 3.000 4.600 3.838 3.772 3.884 . 0 0 "[ . 1 . 2 ]" 1
357 1 29 A H3' 1 29 A H8 3.800 3.000 4.600 3.220 2.865 3.332 0.135 17 0 "[ . 1 . 2 ]" 1
358 1 30 G H1' 1 30 G H8 3.700 3.000 4.400 3.803 3.762 3.829 . 0 0 "[ . 1 . 2 ]" 1
359 1 30 G H2' 1 30 G H8 3.400 2.700 4.100 3.826 3.773 3.887 . 0 0 "[ . 1 . 2 ]" 1
360 1 30 G H3' 1 30 G H8 2.600 2.100 3.100 3.000 2.873 3.142 0.042 14 0 "[ . 1 . 2 ]" 1
361 1 31 G H1' 1 31 G H8 3.800 3.000 4.600 3.775 3.720 3.792 . 0 0 "[ . 1 . 2 ]" 1
362 1 31 G H2' 1 31 G H8 3.600 2.900 4.300 3.807 3.693 3.872 . 0 0 "[ . 1 . 2 ]" 1
363 1 31 G H3' 1 31 G H8 3.600 2.900 4.300 3.096 2.886 3.622 0.014 22 0 "[ . 1 . 2 ]" 1
364 1 31 G H4' 1 31 G H8 3.500 2.500 4.500 4.334 4.158 4.685 0.185 14 0 "[ . 1 . 2 ]" 1
365 1 32 G H1' 1 32 G H8 3.500 2.500 4.500 3.733 3.681 3.766 . 0 0 "[ . 1 . 2 ]" 1
366 1 33 U H1' 1 33 U H6 3.400 2.700 4.100 3.596 3.346 3.729 . 0 0 "[ . 1 . 2 ]" 1
367 1 33 U H2' 1 33 U H6 3.500 2.500 4.500 3.057 2.466 3.876 0.034 1 0 "[ . 1 . 2 ]" 1
368 1 33 U H2' 1 33 U H5 4.500 3.000 6.000 4.741 4.359 5.293 . 0 0 "[ . 1 . 2 ]" 1
369 1 34 C H1' 1 34 C H6 3.800 3.000 4.600 3.697 3.668 3.718 . 0 0 "[ . 1 . 2 ]" 1
370 1 34 C H1' 1 34 C H2' 3.500 2.800 4.200 2.769 2.741 2.822 0.059 8 0 "[ . 1 . 2 ]" 1
371 1 34 C H2' 1 34 C H6 2.400 . 2.900 2.874 2.722 3.024 0.124 22 0 "[ . 1 . 2 ]" 1
372 1 34 C H2' 1 34 C H5 3.500 2.800 4.200 4.385 4.288 4.529 0.329 22 0 "[ . 1 . 2 ]" 1
373 1 35 A H5' 1 35 A H8 4.500 3.000 6.000 4.067 3.771 4.318 . 0 0 "[ . 1 . 2 ]" 1
374 1 35 A H4' 1 35 A H8 3.400 2.700 4.100 4.319 4.226 4.369 0.269 14 0 "[ . 1 . 2 ]" 1
375 1 35 A H1' 1 35 A H8 4.500 3.000 6.000 3.473 3.250 3.589 . 0 0 "[ . 1 . 2 ]" 1
376 1 35 A H2' 1 35 A H8 3.300 2.600 4.000 3.739 3.483 4.000 0.000 21 0 "[ . 1 . 2 ]" 1
377 1 35 A H3' 1 35 A H8 3.800 3.000 4.600 4.822 4.683 5.073 0.473 21 0 "[ . 1 . 2 ]" 1
378 1 36 U H1' 1 36 U H6 4.500 3.000 6.000 3.535 3.513 3.574 . 0 0 "[ . 1 . 2 ]" 1
379 1 36 U H1' 1 36 U H5 4.500 3.000 6.000 5.241 5.207 5.293 . 0 0 "[ . 1 . 2 ]" 1
380 1 38 G H1' 1 38 G H8 4.700 3.800 5.600 3.783 3.772 3.796 0.028 2 0 "[ . 1 . 2 ]" 1
381 1 39 G H1' 1 39 G H8 4.600 3.700 5.500 3.738 3.701 3.763 . 0 0 "[ . 1 . 2 ]" 1
382 1 39 G H2' 1 39 G H8 3.500 2.500 4.500 3.877 3.812 3.953 . 0 0 "[ . 1 . 2 ]" 1
383 1 40 A H1' 1 40 A H2 3.900 3.100 4.700 4.693 4.664 4.721 0.021 8 0 "[ . 1 . 2 ]" 1
384 1 40 A H1' 1 40 A H8 3.800 3.000 4.500 3.747 3.684 3.764 . 0 0 "[ . 1 . 2 ]" 1
385 1 40 A H2' 1 40 A H8 3.500 2.500 4.500 3.818 3.767 3.870 . 0 0 "[ . 1 . 2 ]" 1
386 1 40 A H3' 1 40 A H8 3.500 2.500 4.500 3.059 2.473 3.553 0.027 7 0 "[ . 1 . 2 ]" 1
387 1 40 A H2 1 40 A H2' 4.500 3.000 6.000 4.785 4.575 4.955 . 0 0 "[ . 1 . 2 ]" 1
388 1 41 A H2 1 41 A H2' 4.400 3.500 5.300 5.061 4.541 5.251 . 0 0 "[ . 1 . 2 ]" 1
389 1 41 A H1' 1 41 A H8 3.700 3.000 4.400 3.798 3.708 3.833 . 0 0 "[ . 1 . 2 ]" 1
390 1 41 A H2' 1 41 A H8 3.500 2.800 4.200 3.581 3.411 3.898 . 0 0 "[ . 1 . 2 ]" 1
391 1 41 A H3' 1 41 A H8 3.300 2.600 4.000 2.962 2.676 3.558 . 0 0 "[ . 1 . 2 ]" 1
392 1 41 A H4' 1 41 A H8 3.500 2.500 4.500 4.327 4.180 4.533 0.033 8 0 "[ . 1 . 2 ]" 1
393 1 42 C H1' 1 42 C H6 3.500 2.500 4.500 3.708 3.692 3.730 . 0 0 "[ . 1 . 2 ]" 1
394 1 42 C H1' 1 42 C H5 5.500 4.400 6.600 5.416 5.409 5.429 . 0 0 "[ . 1 . 2 ]" 1
395 1 42 C H2' 1 42 C H6 2.500 . 3.000 3.029 2.920 3.091 0.091 20 0 "[ . 1 . 2 ]" 1
396 1 42 C H3' 1 42 C H6 2.400 . 2.900 2.546 2.441 2.613 . 0 0 "[ . 1 . 2 ]" 1
397 1 42 C H4' 1 42 C H6 3.500 2.500 4.500 4.180 4.103 4.267 . 0 0 "[ . 1 . 2 ]" 1
398 1 43 C H1' 1 43 C H6 3.500 2.500 4.500 3.653 3.636 3.703 . 0 0 "[ . 1 . 2 ]" 1
399 1 43 C H1' 1 43 C H5 6.100 4.900 7.300 5.403 5.392 5.435 . 0 0 "[ . 1 . 2 ]" 1
400 1 43 C H2' 1 43 C H6 3.100 2.500 3.700 3.397 3.193 3.492 . 0 0 "[ . 1 . 2 ]" 1
401 1 43 C H4' 1 43 C H6 3.500 2.500 4.500 3.951 3.879 4.133 . 0 0 "[ . 1 . 2 ]" 1
402 1 44 A H2 1 44 A H2' 5.000 4.000 6.000 5.421 4.996 6.015 0.015 21 0 "[ . 1 . 2 ]" 1
403 1 44 A H2' 1 44 A H8 3.400 2.700 4.100 3.403 2.882 3.723 . 0 0 "[ . 1 . 2 ]" 1
404 1 44 A H4' 1 44 A H8 4.300 3.400 4.500 4.565 4.549 4.611 0.111 10 0 "[ . 1 . 2 ]" 1
405 1 44 A H1' 1 44 A H2 4.700 3.800 5.600 4.711 4.537 4.865 . 0 0 "[ . 1 . 2 ]" 1
406 1 44 A H1' 1 44 A H8 3.500 2.800 4.200 3.749 3.656 3.847 . 0 0 "[ . 1 . 2 ]" 1
407 1 44 A H3' 1 44 A H8 3.800 3.000 4.600 4.183 3.706 4.499 . 0 0 "[ . 1 . 2 ]" 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 62
_Distance_constraint_stats_list.Viol_count 1004
_Distance_constraint_stats_list.Viol_total 1996.099
_Distance_constraint_stats_list.Viol_max 0.387
_Distance_constraint_stats_list.Viol_rms 0.0683
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0559
_Distance_constraint_stats_list.Viol_average_violations_only 0.0828
_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 4.979 0.212 23 0 "[ . 1 . 2 ]"
1 2 G 8.795 0.340 8 0 "[ . 1 . 2 ]"
1 3 G 5.783 0.226 12 0 "[ . 1 . 2 ]"
1 4 A 6.379 0.329 9 0 "[ . 1 . 2 ]"
1 5 G 4.706 0.302 15 0 "[ . 1 . 2 ]"
1 13 C 4.706 0.302 15 0 "[ . 1 . 2 ]"
1 14 U 6.379 0.329 9 0 "[ . 1 . 2 ]"
1 15 C 5.783 0.226 12 0 "[ . 1 . 2 ]"
1 16 C 8.795 0.340 8 0 "[ . 1 . 2 ]"
1 17 C 4.979 0.212 23 0 "[ . 1 . 2 ]"
1 18 C 7.440 0.387 14 0 "[ . 1 . 2 ]"
1 19 C 6.043 0.195 2 0 "[ . 1 . 2 ]"
1 20 C 10.439 0.228 20 0 "[ . 1 . 2 ]"
1 25 U 4.712 0.307 24 0 "[ . 1 . 2 ]"
1 26 C 6.199 0.180 1 0 "[ . 1 . 2 ]"
1 27 C 7.534 0.195 23 0 "[ . 1 . 2 ]"
1 28 G 6.940 0.356 14 0 "[ . 1 . 2 ]"
1 29 A 3.221 0.328 22 0 "[ . 1 . 2 ]"
1 30 G 10.439 0.228 20 0 "[ . 1 . 2 ]"
1 31 G 6.043 0.195 2 0 "[ . 1 . 2 ]"
1 32 G 7.440 0.387 14 0 "[ . 1 . 2 ]"
1 36 U 3.221 0.328 22 0 "[ . 1 . 2 ]"
1 37 C 6.940 0.356 14 0 "[ . 1 . 2 ]"
1 38 G 7.534 0.195 23 0 "[ . 1 . 2 ]"
1 39 G 6.199 0.180 1 0 "[ . 1 . 2 ]"
1 40 A 4.712 0.307 24 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 G O6 1 17 C Q4 1.830 . 1.930 1.644 1.518 1.761 0.212 23 0 "[ . 1 . 2 ]" 2
2 1 1 G H1 1 17 C N3 1.850 . 1.950 1.755 1.718 1.844 0.032 16 0 "[ . 1 . 2 ]" 2
3 1 1 G Q2 1 17 C O2 1.920 . 2.020 1.738 1.686 1.907 0.134 16 0 "[ . 1 . 2 ]" 2
4 1 1 G N2 1 17 C O2 2.880 2.680 3.080 2.712 2.581 2.914 0.099 5 0 "[ . 1 . 2 ]" 2
5 1 1 G C1' 1 17 C C1' 10.730 10.530 10.930 10.605 10.504 10.744 0.026 5 0 "[ . 1 . 2 ]" 2
6 1 2 G O6 1 16 C Q4 1.830 . 1.930 1.618 1.390 1.945 0.340 8 0 "[ . 1 . 2 ]" 2
7 1 2 G H1 1 16 C N3 1.850 . 1.950 1.726 1.683 1.903 0.067 8 0 "[ . 1 . 2 ]" 2
8 1 2 G Q2 1 16 C O2 1.920 . 2.020 1.684 1.616 1.815 0.204 2 0 "[ . 1 . 2 ]" 2
9 1 2 G N2 1 16 C O2 2.880 2.680 3.080 2.678 2.544 2.790 0.136 12 0 "[ . 1 . 2 ]" 2
10 1 2 G C1' 1 16 C C1' 10.730 10.530 10.930 10.494 10.298 10.640 0.232 12 0 "[ . 1 . 2 ]" 2
11 1 3 G O6 1 15 C Q4 1.830 . 1.930 1.660 1.504 1.780 0.226 12 0 "[ . 1 . 2 ]" 2
12 1 3 G H1 1 15 C N3 1.850 . 1.950 1.740 1.719 1.794 0.031 19 0 "[ . 1 . 2 ]" 2
13 1 3 G Q2 1 15 C O2 1.920 . 2.020 1.706 1.627 1.934 0.193 2 0 "[ . 1 . 2 ]" 2
14 1 3 G N2 1 15 C O2 2.880 2.680 3.080 2.660 2.615 2.959 0.065 2 0 "[ . 1 . 2 ]" 2
15 1 3 G C1' 1 15 C C1' 10.730 10.530 10.930 10.586 10.525 10.903 0.005 2 0 "[ . 1 . 2 ]" 2
16 1 4 A Q6 1 14 U O4 1.910 . 2.010 1.554 1.481 1.745 0.329 9 0 "[ . 1 . 2 ]" 2
17 1 4 A N1 1 14 U N3 2.900 2.800 3.000 2.839 2.767 2.951 0.033 10 0 "[ . 1 . 2 ]" 2
18 1 4 A C2 1 14 U O2 3.750 3.550 3.950 3.786 3.524 3.969 0.026 2 0 "[ . 1 . 2 ]" 2
19 1 4 A C1' 1 14 U C1' 10.730 10.530 10.930 10.823 10.584 10.951 0.021 12 0 "[ . 1 . 2 ]" 2
20 1 5 G O6 1 13 C Q4 1.830 . 1.930 1.583 1.428 1.723 0.302 15 0 "[ . 1 . 2 ]" 2
21 1 5 G H1 1 13 C N3 1.850 . 1.950 1.748 1.689 1.875 0.061 11 0 "[ . 1 . 2 ]" 2
22 1 5 G Q2 1 13 C O2 1.920 . 2.020 1.797 1.758 1.903 0.062 20 0 "[ . 1 . 2 ]" 2
23 1 5 G N2 1 13 C O2 2.880 2.680 3.080 2.775 2.730 2.898 . 0 0 "[ . 1 . 2 ]" 2
24 1 5 G C1' 1 13 C C1' 10.730 10.530 10.930 10.782 10.730 10.881 . 0 0 "[ . 1 . 2 ]" 2
25 1 20 C Q4 1 30 G O6 1.830 . 1.930 1.680 1.642 1.805 0.088 8 0 "[ . 1 . 2 ]" 2
26 1 20 C N3 1 30 G H1 1.850 . 1.950 1.713 1.693 1.766 0.057 8 0 "[ . 1 . 2 ]" 2
27 1 20 C O2 1 30 G Q2 1.920 . 2.020 1.641 1.592 1.679 0.228 20 0 "[ . 1 . 2 ]" 2
28 1 20 C O2 1 30 G N2 2.880 2.680 3.080 2.590 2.562 2.616 0.118 20 0 "[ . 1 . 2 ]" 2
29 1 20 C C1' 1 30 G C1' 10.730 10.530 10.930 10.461 10.420 10.507 0.110 20 0 "[ . 1 . 2 ]" 2
30 1 19 C Q4 1 31 G O6 1.830 . 1.930 1.690 1.634 1.797 0.096 18 0 "[ . 1 . 2 ]" 2
31 1 19 C N3 1 31 G H1 1.850 . 1.950 1.749 1.728 1.809 0.022 20 0 "[ . 1 . 2 ]" 2
32 1 19 C O2 1 31 G Q2 1.920 . 2.020 1.679 1.625 1.721 0.195 2 0 "[ . 1 . 2 ]" 2
33 1 19 C O2 1 31 G N2 2.880 2.680 3.080 2.633 2.581 2.690 0.099 5 0 "[ . 1 . 2 ]" 2
34 1 19 C C1' 1 31 G C1' 10.730 10.530 10.930 10.593 10.473 10.666 0.057 14 0 "[ . 1 . 2 ]" 2
35 1 18 C Q4 1 32 G O6 1.830 . 1.930 1.609 1.343 1.777 0.387 14 0 "[ . 1 . 2 ]" 2
36 1 18 C N3 1 32 G H1 1.850 . 1.950 1.728 1.680 1.846 0.070 5 0 "[ . 1 . 2 ]" 2
37 1 18 C O2 1 32 G Q2 1.920 . 2.020 1.712 1.629 1.930 0.191 4 0 "[ . 1 . 2 ]" 2
38 1 18 C O2 1 32 G N2 2.880 2.680 3.080 2.714 2.606 2.940 0.074 4 0 "[ . 1 . 2 ]" 2
39 1 18 C C1' 1 32 G C1' 10.730 10.530 10.930 10.562 10.445 10.869 0.085 11 0 "[ . 1 . 2 ]" 2
40 1 25 U O4 1 40 A Q6 1.910 . 2.010 1.660 1.503 1.866 0.307 24 0 "[ . 1 . 2 ]" 2
41 1 25 U N3 1 40 A N1 2.900 2.800 3.000 2.878 2.786 2.990 0.014 15 0 "[ . 1 . 2 ]" 2
42 1 25 U O2 1 40 A C2 3.750 3.550 3.950 3.864 3.535 4.086 0.136 12 0 "[ . 1 . 2 ]" 2
43 1 25 U C1' 1 40 A C1' 10.730 10.530 10.930 10.836 10.575 11.043 0.113 23 0 "[ . 1 . 2 ]" 2
44 1 26 C Q4 1 39 G O6 1.830 . 1.930 1.682 1.620 1.836 0.110 6 0 "[ . 1 . 2 ]" 2
45 1 26 C N3 1 39 G H1 1.850 . 1.950 1.751 1.716 1.845 0.034 6 0 "[ . 1 . 2 ]" 2
46 1 26 C O2 1 39 G Q2 1.920 . 2.020 1.689 1.640 1.727 0.180 1 0 "[ . 1 . 2 ]" 2
47 1 26 C O2 1 39 G N2 2.880 2.680 3.080 2.656 2.578 2.706 0.102 21 0 "[ . 1 . 2 ]" 2
48 1 26 C C1' 1 39 G C1' 10.730 10.530 10.930 10.563 10.434 10.660 0.096 21 0 "[ . 1 . 2 ]" 2
49 1 27 C Q4 1 38 G O6 1.830 . 1.930 1.635 1.604 1.748 0.126 22 0 "[ . 1 . 2 ]" 2
50 1 27 C N3 1 38 G H1 1.850 . 1.950 1.710 1.689 1.769 0.061 15 0 "[ . 1 . 2 ]" 2
51 1 27 C O2 1 38 G Q2 1.920 . 2.020 1.671 1.625 1.732 0.195 23 0 "[ . 1 . 2 ]" 2
52 1 27 C O2 1 38 G N2 2.880 2.680 3.080 2.679 2.628 2.736 0.052 23 0 "[ . 1 . 2 ]" 2
53 1 27 C C1' 1 38 G C1' 10.730 10.530 10.930 10.528 10.459 10.651 0.071 17 0 "[ . 1 . 2 ]" 2
54 1 28 G O6 1 37 C Q4 1.830 . 1.930 1.617 1.374 1.799 0.356 14 0 "[ . 1 . 2 ]" 2
55 1 28 G H1 1 37 C N3 1.850 . 1.950 1.720 1.694 1.825 0.056 24 0 "[ . 1 . 2 ]" 2
56 1 28 G Q2 1 37 C O2 1.920 . 2.020 1.699 1.616 1.820 0.204 21 0 "[ . 1 . 2 ]" 2
57 1 28 G N2 1 37 C O2 2.880 2.680 3.080 2.700 2.628 2.821 0.052 21 0 "[ . 1 . 2 ]" 2
58 1 28 G C1' 1 37 C C1' 10.730 10.530 10.930 10.563 10.477 10.728 0.053 11 0 "[ . 1 . 2 ]" 2
59 1 29 A Q6 1 36 U O4 1.910 . 2.010 1.707 1.482 1.850 0.328 22 0 "[ . 1 . 2 ]" 2
60 1 29 A N1 1 36 U N3 2.900 2.800 3.000 2.898 2.750 3.027 0.050 17 0 "[ . 1 . 2 ]" 2
61 1 29 A C2 1 36 U O2 3.750 3.550 3.950 3.761 3.534 3.996 0.046 23 0 "[ . 1 . 2 ]" 2
62 1 29 A C1' 1 36 U C1' 10.730 10.530 10.930 10.786 10.476 11.029 0.099 22 0 "[ . 1 . 2 ]" 2
stop_
save_
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