NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
407686 |
1yg3   |
6509 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1yg3
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 577
_Distance_constraint_stats_list.Viol_count 2986
_Distance_constraint_stats_list.Viol_total 6099.080
_Distance_constraint_stats_list.Viol_max 0.820
_Distance_constraint_stats_list.Viol_rms 0.0681
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0264
_Distance_constraint_stats_list.Viol_average_violations_only 0.1021
_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 A 12.625 0.557 11 1 "[ . 1+ . 2]"
1 2 G 21.040 0.421 2 0 "[ . 1 . 2]"
1 3 U 17.030 0.458 6 0 "[ . 1 . 2]"
1 4 G 12.466 0.450 15 0 "[ . 1 . 2]"
1 5 G 12.999 0.633 11 1 "[ . 1+ . 2]"
1 6 CH 18.624 0.654 4 4 "[ +. -1* . * 2]"
1 7 G 2.186 0.255 19 0 "[ . 1 . 2]"
1 8 C 16.838 0.408 11 0 "[ . 1 . 2]"
1 9 C 11.711 0.396 1 0 "[ . 1 . 2]"
1 10 G 29.900 0.422 15 0 "[ . 1 . 2]"
1 11 A 9.341 0.776 3 3 "[ + . - 1* . 2]"
1 12 C 32.607 0.422 15 0 "[ . 1 . 2]"
1 13 C 32.140 0.518 5 3 "[ + 1 - . * 2]"
1 14 A 19.587 0.518 5 3 "[ + 1 - . * 2]"
1 15 C 19.494 0.697 15 2 "[ . - 1 + 2]"
1 16 U 22.139 0.385 17 0 "[ . 1 . 2]"
1 17 U 14.029 0.820 9 1 "[ . +1 . 2]"
1 18 A 8.436 0.820 9 2 "[ . +1 . -]"
1 19 A 7.855 0.160 9 0 "[ . 1 . 2]"
1 20 A 12.444 0.697 15 2 "[ . - 1 + 2]"
1 21 A 13.302 0.420 10 0 "[ . 1 . 2]"
1 22 A 6.060 0.334 13 0 "[ . 1 . 2]"
1 23 C 7.248 0.387 12 0 "[ . 1 . 2]"
1 24 A 6.838 0.128 11 0 "[ . 1 . 2]"
1 25 C 17.561 0.352 15 0 "[ . 1 . 2]"
1 26 C 16.472 0.310 15 0 "[ . 1 . 2]"
1 27 G 15.628 0.335 4 0 "[ . 1 . 2]"
1 28 G 4.768 0.396 19 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 16 U H1' 4.000 3.000 5.600 5.366 4.893 5.952 0.352 11 0 "[ . 1 . 2]" 1
2 1 2 G H2' 1 3 U H3 4.500 3.500 5.500 5.513 4.858 5.652 0.152 10 0 "[ . 1 . 2]" 1
3 1 2 G H1 1 19 A H61 4.500 3.700 5.300 4.523 3.808 5.333 0.033 2 0 "[ . 1 . 2]" 1
4 1 2 G H1 1 19 A H62 4.500 3.700 5.300 5.192 4.779 5.387 0.087 2 0 "[ . 1 . 2]" 1
5 1 3 U H3 1 4 G H1' 4.500 3.800 5.200 4.768 3.746 5.319 0.119 2 0 "[ . 1 . 2]" 1
6 1 3 U H3 1 15 C H1' 4.000 3.300 4.700 4.936 4.786 5.151 0.451 6 0 "[ . 1 . 2]" 1
7 1 3 U H3 1 4 G H1 5.000 3.500 6.500 4.414 3.976 4.881 . 0 0 "[ . 1 . 2]" 1
8 1 3 U H3 1 19 A H61 4.500 3.700 5.300 4.309 3.697 5.058 0.003 7 0 "[ . 1 . 2]" 1
9 1 3 U H3 1 19 A H62 4.500 3.700 5.300 4.389 3.870 5.399 0.099 11 0 "[ . 1 . 2]" 1
10 1 3 U H3 1 21 A H61 4.500 3.700 5.300 4.641 3.656 5.330 0.044 3 0 "[ . 1 . 2]" 1
11 1 3 U H3 1 21 A H62 4.500 3.700 5.300 5.154 4.382 5.357 0.057 16 0 "[ . 1 . 2]" 1
12 1 4 G H1 1 5 G H1' 3.500 2.800 4.500 4.358 3.765 4.561 0.061 20 0 "[ . 1 . 2]" 1
13 1 4 G H1 1 21 A H61 4.500 3.700 5.300 3.942 3.665 4.621 0.035 3 0 "[ . 1 . 2]" 1
14 1 4 G H1 1 21 A H62 4.500 3.700 5.300 5.315 5.030 5.437 0.137 15 0 "[ . 1 . 2]" 1
15 1 5 G H1 1 12 C H2' 4.500 3.500 5.500 5.395 5.019 5.511 0.011 14 0 "[ . 1 . 2]" 1
16 1 5 G H1 1 24 A H61 4.500 3.700 5.300 4.786 4.504 5.040 . 0 0 "[ . 1 . 2]" 1
17 1 5 G H1 1 24 A H62 4.500 3.700 5.300 5.336 5.226 5.396 0.096 3 0 "[ . 1 . 2]" 1
18 1 10 G H1 1 12 C H5' 4.000 3.100 4.900 4.292 4.064 4.601 . 0 0 "[ . 1 . 2]" 1
19 1 10 G H1 1 12 C H3' 4.500 3.500 5.500 5.250 5.065 5.556 0.056 15 0 "[ . 1 . 2]" 1
20 1 10 G H1 1 12 C H6 4.500 3.500 5.500 3.584 3.351 3.961 0.149 7 0 "[ . 1 . 2]" 1
21 1 10 G H1 1 12 C H41 4.500 3.200 5.800 5.971 5.845 6.148 0.348 15 0 "[ . 1 . 2]" 1
22 1 10 G H1 1 27 G H1 5.500 4.000 7.000 4.222 3.979 4.788 0.021 19 0 "[ . 1 . 2]" 1
23 1 6 CH H42 1 10 G H8 4.000 3.000 5.000 3.914 3.663 4.086 . 0 0 "[ . 1 . 2]" 1
24 1 6 CH H41 1 10 G H8 4.500 3.500 5.500 4.260 3.926 4.757 . 0 0 "[ . 1 . 2]" 1
25 1 6 CH H41 1 12 C H1' 5.000 4.000 6.000 5.711 4.570 6.329 0.329 11 0 "[ . 1 . 2]" 1
26 1 6 CH H42 1 12 C H1' 5.000 4.000 6.000 5.226 4.676 6.230 0.230 9 0 "[ . 1 . 2]" 1
27 1 1 A H2 1 16 U H3 3.000 2.500 3.500 2.759 2.701 2.841 . 0 0 "[ . 1 . 2]" 1
28 1 2 G H1 1 3 U H3 3.000 2.300 3.700 3.560 3.346 3.772 0.072 20 0 "[ . 1 . 2]" 1
29 1 2 G H1 1 16 U H3 3.300 2.600 4.000 3.383 3.232 3.649 . 0 0 "[ . 1 . 2]" 1
30 1 2 G H1 1 15 C H42 2.500 . 3.500 3.717 3.700 3.754 0.254 2 0 "[ . 1 . 2]" 1
31 1 2 G H1 1 15 C H41 2.500 . 3.000 2.185 2.163 2.238 . 0 0 "[ . 1 . 2]" 1
32 1 3 U H3 1 14 A H2 3.000 2.500 3.500 2.678 2.601 2.770 . 0 0 "[ . 1 . 2]" 1
33 1 3 U H2' 1 3 U H3 4.000 3.000 5.000 4.888 4.463 5.458 0.458 6 0 "[ . 1 . 2]" 1
34 1 4 G H1 1 5 G H1 3.500 2.800 4.200 4.229 4.052 4.315 0.115 1 0 "[ . 1 . 2]" 1
35 1 4 G H1 1 13 C H42 3.000 2.200 3.800 3.843 3.808 3.900 0.100 15 0 "[ . 1 . 2]" 1
36 1 4 G H1 1 13 C H41 2.000 . 3.000 2.334 2.299 2.416 . 0 0 "[ . 1 . 2]" 1
37 1 5 G H1 1 10 G H1' 5.000 3.000 7.000 7.290 7.142 7.390 0.390 8 0 "[ . 1 . 2]" 1
38 1 5 G H1 1 6 CH H5 4.000 3.000 5.000 4.483 4.178 4.845 . 0 0 "[ . 1 . 2]" 1
39 1 5 G H1 1 6 CH H41 3.300 2.500 4.100 3.152 2.876 3.466 . 0 0 "[ . 1 . 2]" 1
40 1 5 G H1 1 6 CH H42 3.300 2.500 4.100 3.097 2.856 3.340 . 0 0 "[ . 1 . 2]" 1
41 1 5 G H1 1 12 C H42 3.000 2.300 3.700 3.771 3.731 3.805 0.105 18 0 "[ . 1 . 2]" 1
42 1 5 G H1 1 12 C H41 2.500 . 3.000 2.211 2.133 2.251 . 0 0 "[ . 1 . 2]" 1
43 1 5 G H1 1 13 C H42 3.000 2.500 3.500 3.311 2.844 3.591 0.091 3 0 "[ . 1 . 2]" 1
44 1 5 G H1 1 13 C H41 3.000 2.500 3.500 3.102 2.675 3.330 . 0 0 "[ . 1 . 2]" 1
45 1 27 G H1 1 28 G H1 3.000 . 4.000 3.531 3.161 3.776 . 0 0 "[ . 1 . 2]" 1
46 1 9 C H42 1 27 G H1 2.700 2.200 3.200 3.528 3.518 3.535 0.335 4 0 "[ . 1 . 2]" 1
47 1 9 C H41 1 27 G H1 2.300 . 2.800 1.991 1.980 2.002 . 0 0 "[ . 1 . 2]" 1
48 1 10 G H1 1 12 C H1' 2.500 . 3.000 2.192 2.187 2.196 . 0 0 "[ . 1 . 2]" 1
49 1 10 G H1 1 12 C H2' 3.500 3.000 4.300 4.617 4.560 4.722 0.422 15 0 "[ . 1 . 2]" 1
50 1 10 G H1 1 12 C H5'' 4.000 3.000 5.500 5.350 5.061 5.644 0.144 19 0 "[ . 1 . 2]" 1
51 1 10 G H1 1 26 C H42 3.000 2.200 3.800 3.898 3.865 3.922 0.122 17 0 "[ . 1 . 2]" 1
52 1 10 G H1 1 26 C H41 2.000 . 2.800 2.387 2.333 2.423 . 0 0 "[ . 1 . 2]" 1
53 1 12 C H1' 1 12 C HO2' 2.500 . 3.000 2.302 1.955 2.820 0.045 15 0 "[ . 1 . 2]" 1
54 1 12 C H2' 1 12 C HO2' 2.000 . 2.500 2.268 2.151 2.646 0.146 7 0 "[ . 1 . 2]" 1
55 1 12 C HO2' 1 13 C H6 3.300 2.600 4.000 4.116 4.016 4.190 0.190 9 0 "[ . 1 . 2]" 1
56 1 13 C H1' 1 13 C HO2' 2.500 . 3.000 2.598 2.123 3.025 0.025 1 0 "[ . 1 . 2]" 1
57 1 13 C H2' 1 13 C HO2' 2.000 . 2.500 2.191 2.041 2.531 0.031 1 0 "[ . 1 . 2]" 1
58 1 13 C H3' 1 13 C HO2' 3.000 2.500 3.500 3.687 3.300 3.851 0.351 3 0 "[ . 1 . 2]" 1
59 1 13 C HO2' 1 14 A H5' 3.000 . 4.000 3.135 2.515 4.094 0.094 11 0 "[ . 1 . 2]" 1
60 1 13 C HO2' 1 14 A H5'' 3.000 . 4.000 4.160 4.039 4.278 0.278 12 0 "[ . 1 . 2]" 1
61 1 13 C HO2' 1 14 A H8 3.500 2.800 4.200 4.161 3.858 4.472 0.272 8 0 "[ . 1 . 2]" 1
62 1 13 C HO2' 1 24 A H2 3.500 2.500 4.500 2.598 2.458 2.997 0.042 7 0 "[ . 1 . 2]" 1
63 1 13 C HO2' 1 21 A H2 4.300 3.300 5.300 5.016 4.222 5.371 0.071 2 0 "[ . 1 . 2]" 1
64 1 13 C HO2' 1 22 A H2 3.000 . 4.000 3.929 3.288 4.088 0.088 18 0 "[ . 1 . 2]" 1
65 1 13 C HO2' 1 22 A H61 3.500 2.500 4.500 2.709 2.166 3.454 0.334 13 0 "[ . 1 . 2]" 1
66 1 1 A H1' 1 1 A H2' 2.500 . 3.000 2.827 2.198 3.010 0.010 11 0 "[ . 1 . 2]" 1
67 1 1 A H1' 1 1 A H3' 3.300 2.600 4.000 3.791 3.605 3.950 . 0 0 "[ . 1 . 2]" 1
68 1 1 A H1' 1 1 A H4' 4.300 3.600 5.000 3.379 3.043 3.628 0.557 11 1 "[ . 1+ . 2]" 1
69 1 1 A H2' 1 1 A H4' 5.000 3.700 6.000 3.821 3.719 4.038 . 0 0 "[ . 1 . 2]" 1
70 1 1 A H3' 1 1 A H4' 3.300 2.800 4.000 3.053 2.785 3.169 0.015 10 0 "[ . 1 . 2]" 1
71 1 1 A H3' 1 1 A H5' 4.300 3.800 5.300 3.794 3.604 4.016 0.196 9 0 "[ . 1 . 2]" 1
72 1 1 A H3' 1 1 A H5'' 5.000 3.500 6.000 3.608 3.204 3.950 0.296 19 0 "[ . 1 . 2]" 1
73 1 1 A H4' 1 1 A H5' 2.500 . 3.200 2.616 2.497 2.849 . 0 0 "[ . 1 . 2]" 1
74 1 1 A H4' 1 1 A H5'' 2.500 . 3.200 2.318 2.197 2.507 . 0 0 "[ . 1 . 2]" 1
75 1 1 A H1' 1 1 A H8 3.300 2.800 4.300 3.281 2.931 4.013 . 0 0 "[ . 1 . 2]" 1
76 1 1 A H2' 1 1 A H8 3.300 2.600 4.000 3.887 2.595 4.217 0.217 11 0 "[ . 1 . 2]" 1
77 1 1 A H2' 1 2 G H8 3.500 2.600 4.200 2.992 2.343 4.488 0.288 10 0 "[ . 1 . 2]" 1
78 1 1 A H3' 1 1 A H8 4.300 3.300 5.300 3.839 3.208 5.333 0.092 19 0 "[ . 1 . 2]" 1
79 1 1 A H5' 1 1 A H8 5.000 4.000 6.000 4.131 3.852 5.023 0.148 17 0 "[ . 1 . 2]" 1
80 1 1 A H5'' 1 1 A H8 5.000 4.000 6.000 5.345 4.680 6.230 0.230 10 0 "[ . 1 . 2]" 1
81 1 1 A H2 1 17 U H5 4.000 3.300 4.700 4.023 3.201 4.766 0.099 19 0 "[ . 1 . 2]" 1
82 1 2 G H1' 1 2 G H2' 2.500 . 3.000 2.722 2.673 2.794 . 0 0 "[ . 1 . 2]" 1
83 1 2 G H1' 1 2 G H3' 4.300 3.500 5.100 3.751 3.692 3.870 . 0 0 "[ . 1 . 2]" 1
84 1 2 G H1' 1 2 G H4' 4.300 3.300 4.800 3.174 3.030 3.284 0.270 11 0 "[ . 1 . 2]" 1
85 1 2 G H2' 1 2 G H3' 2.500 . 3.000 2.394 2.275 2.443 . 0 0 "[ . 1 . 2]" 1
86 1 2 G H2' 1 2 G H4' 5.000 4.000 6.000 3.844 3.800 3.937 0.200 13 0 "[ . 1 . 2]" 1
87 1 2 G H3' 1 2 G H4' 3.300 2.500 4.100 3.177 3.146 3.217 . 0 0 "[ . 1 . 2]" 1
88 1 2 G H3' 1 2 G H5' 4.300 3.300 4.800 3.814 3.080 4.194 0.220 14 0 "[ . 1 . 2]" 1
89 1 2 G H3' 1 2 G H5'' 5.000 4.000 6.000 3.727 3.579 3.808 0.421 2 0 "[ . 1 . 2]" 1
90 1 2 G H4' 1 2 G H5' 2.500 . 3.000 2.503 2.216 2.806 . 0 0 "[ . 1 . 2]" 1
91 1 2 G H4' 1 2 G H5'' 2.500 . 3.200 2.447 2.308 3.078 . 0 0 "[ . 1 . 2]" 1
92 1 2 G H2' 1 3 U H1' 4.300 3.300 5.300 4.287 3.852 4.612 . 0 0 "[ . 1 . 2]" 1
93 1 2 G H1' 1 3 U H6 5.000 4.000 6.000 4.952 4.823 5.528 . 0 0 "[ . 1 . 2]" 1
94 1 1 A H2 1 2 G H1' 2.500 . 3.200 3.142 2.449 3.285 0.085 7 0 "[ . 1 . 2]" 1
95 1 2 G H2' 1 3 U H5 3.300 2.300 4.800 3.051 2.690 4.303 . 0 0 "[ . 1 . 2]" 1
96 1 2 G H2' 1 3 U H6 2.500 . 3.200 2.287 2.199 3.123 . 0 0 "[ . 1 . 2]" 1
97 1 2 G H3' 1 2 G H8 4.300 3.300 4.800 3.472 3.216 4.515 0.084 13 0 "[ . 1 . 2]" 1
98 1 2 G H3' 1 3 U H5 3.700 2.800 4.600 3.693 3.167 4.715 0.115 6 0 "[ . 1 . 2]" 1
99 1 2 G H3' 1 3 U H6 3.700 3.000 4.400 3.312 2.902 3.543 0.098 11 0 "[ . 1 . 2]" 1
100 1 2 G H4' 1 2 G H8 5.000 4.000 6.000 4.703 4.377 5.298 . 0 0 "[ . 1 . 2]" 1
101 1 3 U H1' 1 3 U H2' 2.500 . 3.000 2.645 2.556 2.816 . 0 0 "[ . 1 . 2]" 1
102 1 3 U H3' 1 3 U H5' 4.300 3.500 5.100 3.889 3.564 4.051 . 0 0 "[ . 1 . 2]" 1
103 1 3 U H3' 1 3 U H5'' 4.300 3.500 5.100 3.285 3.144 3.401 0.356 11 0 "[ . 1 . 2]" 1
104 1 3 U H4' 1 3 U H5' 2.500 . 3.300 2.418 2.260 2.691 . 0 0 "[ . 1 . 2]" 1
105 1 3 U H4' 1 3 U H5'' 2.500 . 3.300 2.509 2.213 2.718 . 0 0 "[ . 1 . 2]" 1
106 1 3 U H1' 1 3 U H6 4.300 3.300 4.800 3.498 3.168 3.630 0.132 11 0 "[ . 1 . 2]" 1
107 1 3 U H1' 1 4 G H8 4.300 3.300 4.800 4.568 2.982 5.250 0.450 15 0 "[ . 1 . 2]" 1
108 1 3 U H2' 1 3 U H6 4.000 3.000 5.000 3.904 2.769 4.250 0.231 11 0 "[ . 1 . 2]" 1
109 1 3 U H2' 1 4 G H8 3.200 2.500 4.500 3.151 2.458 4.831 0.331 11 0 "[ . 1 . 2]" 1
110 1 3 U H3' 1 3 U H6 3.300 2.700 3.900 3.007 2.645 4.134 0.234 11 0 "[ . 1 . 2]" 1
111 1 4 G H1' 1 4 G H2' 2.500 . 3.500 2.747 2.645 2.991 . 0 0 "[ . 1 . 2]" 1
112 1 4 G H1' 1 4 G H3' 4.300 3.600 5.000 3.760 3.704 3.833 . 0 0 "[ . 1 . 2]" 1
113 1 4 G H1' 1 4 G H4' 3.500 2.800 4.200 2.977 2.553 3.346 0.247 2 0 "[ . 1 . 2]" 1
114 1 4 G H4' 1 4 G H5' 2.500 . 3.000 2.405 2.249 2.483 . 0 0 "[ . 1 . 2]" 1
115 1 4 G H4' 1 4 G H5'' 2.500 . 3.000 2.415 2.250 2.999 . 0 0 "[ . 1 . 2]" 1
116 1 4 G H4' 1 19 A H2' 5.000 3.500 6.500 5.253 3.621 6.535 0.035 17 0 "[ . 1 . 2]" 1
117 1 4 G H5' 1 19 A H2' 5.000 3.500 6.500 4.163 3.463 5.533 0.037 19 0 "[ . 1 . 2]" 1
118 1 4 G H5'' 1 19 A H2' 5.000 3.500 6.500 5.009 3.764 6.561 0.061 11 0 "[ . 1 . 2]" 1
119 1 4 G H1' 1 4 G H8 5.000 3.800 6.200 3.776 3.661 3.882 0.139 2 0 "[ . 1 . 2]" 1
120 1 4 G H1' 1 14 A H2 5.000 3.500 6.500 4.015 3.414 5.650 0.086 9 0 "[ . 1 . 2]" 1
121 1 4 G H2' 1 5 G H8 3.000 . 4.000 3.757 3.035 4.221 0.221 13 0 "[ . 1 . 2]" 1
122 1 4 G H3' 1 4 G H8 4.300 3.300 5.300 3.703 3.247 4.344 0.053 20 0 "[ . 1 . 2]" 1
123 1 4 G H3' 1 5 G H8 3.500 2.500 5.000 4.051 3.458 4.986 . 0 0 "[ . 1 . 2]" 1
124 1 4 G H4' 1 4 G H8 5.000 4.000 6.000 4.881 4.540 5.482 . 0 0 "[ . 1 . 2]" 1
125 1 4 G H4' 1 20 A H8 4.300 3.600 5.000 3.777 3.444 4.989 0.156 20 0 "[ . 1 . 2]" 1
126 1 4 G H5' 1 4 G H8 5.000 4.000 6.000 4.755 4.027 6.183 0.183 2 0 "[ . 1 . 2]" 1
127 1 4 G H5' 1 20 A H8 4.300 3.300 5.300 4.647 3.266 5.407 0.107 20 0 "[ . 1 . 2]" 1
128 1 4 G H5'' 1 20 A H8 4.300 3.300 5.300 5.305 4.674 5.477 0.177 1 0 "[ . 1 . 2]" 1
129 1 5 G H1' 1 5 G H2' 2.500 . 3.000 2.663 2.418 2.858 . 0 0 "[ . 1 . 2]" 1
130 1 5 G H1' 1 5 G H3' 4.300 3.300 5.300 3.809 3.648 3.927 . 0 0 "[ . 1 . 2]" 1
131 1 5 G H1' 1 5 G H4' 3.300 2.300 4.300 3.268 2.685 3.700 . 0 0 "[ . 1 . 2]" 1
132 1 5 G H2' 1 5 G H3' 2.500 . 3.500 2.341 2.202 2.519 . 0 0 "[ . 1 . 2]" 1
133 1 5 G H2' 1 6 CH H5' 5.000 4.000 6.000 4.828 3.367 5.545 0.633 11 1 "[ . 1+ . 2]" 1
134 1 5 G H1' 1 5 G H8 4.300 3.300 5.300 3.698 3.671 3.745 . 0 0 "[ . 1 . 2]" 1
135 1 5 G H2' 1 5 G H8 5.000 4.000 6.000 4.098 3.940 4.378 0.060 20 0 "[ . 1 . 2]" 1
136 1 5 G H2' 1 6 CH H5 5.000 4.000 6.000 3.963 3.867 4.185 0.133 2 0 "[ . 1 . 2]" 1
137 1 5 G H2' 1 6 CH H6 2.500 . 3.500 2.481 2.196 3.060 . 0 0 "[ . 1 . 2]" 1
138 1 5 G H3' 1 6 CH H6 3.300 2.300 4.500 3.782 2.686 4.527 0.027 7 0 "[ . 1 . 2]" 1
139 1 5 G H4' 1 5 G H8 5.000 3.500 6.500 4.620 4.157 4.974 . 0 0 "[ . 1 . 2]" 1
140 1 6 CH H1' 1 6 CH H2' 2.500 . 3.000 2.544 2.295 2.666 . 0 0 "[ . 1 . 2]" 1
141 1 6 CH H1' 1 6 CH H3' 4.300 3.500 5.100 3.709 3.607 3.771 . 0 0 "[ . 1 . 2]" 1
142 1 6 CH H1' 1 6 CH H4' 3.300 2.600 4.300 2.820 2.551 3.146 0.049 9 0 "[ . 1 . 2]" 1
143 1 6 CH H2' 1 6 CH H3' 2.500 . 3.300 2.458 2.370 2.696 . 0 0 "[ . 1 . 2]" 1
144 1 6 CH H3' 1 6 CH H4' 4.300 3.500 5.100 3.201 3.158 3.221 0.342 15 0 "[ . 1 . 2]" 1
145 1 6 CH H3' 1 6 CH H5' 4.300 3.600 5.000 3.459 2.946 3.860 0.654 4 3 "[ +. -1 . * 2]" 1
146 1 6 CH H4' 1 6 CH H5' 3.300 2.600 4.000 2.563 2.446 2.768 0.154 3 0 "[ . 1 . 2]" 1
147 1 6 CH H4' 1 6 CH H5'' 3.300 2.600 4.000 2.944 2.547 3.177 0.053 11 0 "[ . 1 . 2]" 1
148 1 6 CH H1' 1 6 CH H6 4.500 3.000 6.000 3.665 3.593 3.719 . 0 0 "[ . 1 . 2]" 1
149 1 6 CH H2' 1 6 CH H6 4.500 3.500 5.500 3.693 3.472 4.131 0.028 3 0 "[ . 1 . 2]" 1
150 1 6 CH H3' 1 6 CH H6 3.300 2.300 4.300 3.227 2.893 3.624 . 0 0 "[ . 1 . 2]" 1
151 1 6 CH H4' 1 6 CH H6 5.000 4.000 6.000 4.617 4.413 4.780 . 0 0 "[ . 1 . 2]" 1
152 1 6 CH H5' 1 6 CH H6 4.300 3.300 5.300 4.973 4.306 5.350 0.050 16 0 "[ . 1 . 2]" 1
153 1 6 CH H5'' 1 6 CH H6 4.300 3.300 5.300 4.325 3.448 5.316 0.016 15 0 "[ . 1 . 2]" 1
154 1 7 G H1' 1 7 G H2' 2.500 . 3.000 2.896 2.628 3.031 0.031 18 0 "[ . 1 . 2]" 1
155 1 7 G H1' 1 7 G H4' 3.500 2.500 4.500 3.417 2.479 4.011 0.021 19 0 "[ . 1 . 2]" 1
156 1 7 G H2' 1 7 G H3' 3.000 2.300 3.700 2.287 2.207 2.345 0.093 11 0 "[ . 1 . 2]" 1
157 1 7 G H2' 1 7 G H4' 4.300 3.300 5.300 3.906 3.621 4.136 . 0 0 "[ . 1 . 2]" 1
158 1 7 G H3' 1 7 G H4' 3.000 2.300 3.700 2.852 2.732 2.986 . 0 0 "[ . 1 . 2]" 1
159 1 7 G H2' 1 8 C H6 3.300 2.300 4.300 3.538 2.436 4.555 0.255 19 0 "[ . 1 . 2]" 1
160 1 7 G H3' 1 8 C H6 4.300 3.300 5.300 3.590 3.117 5.341 0.183 16 0 "[ . 1 . 2]" 1
161 1 8 C H1' 1 8 C H2' 2.500 . 3.000 2.750 2.639 3.038 0.038 19 0 "[ . 1 . 2]" 1
162 1 8 C H1' 1 8 C H3' 4.300 3.600 5.000 3.591 3.556 3.679 0.044 1 0 "[ . 1 . 2]" 1
163 1 8 C H1' 1 8 C H4' 3.300 2.600 4.000 3.314 2.804 3.607 . 0 0 "[ . 1 . 2]" 1
164 1 8 C H2' 1 8 C H3' 2.700 2.200 3.200 2.219 2.200 2.280 . 0 0 "[ . 1 . 2]" 1
165 1 8 C H3' 1 8 C H4' 3.000 2.300 3.700 3.068 2.947 3.098 . 0 0 "[ . 1 . 2]" 1
166 1 8 C H3' 1 8 C H5' 3.700 2.700 4.700 3.769 2.661 3.956 0.039 18 0 "[ . 1 . 2]" 1
167 1 8 C H3' 1 8 C H5'' 4.300 3.300 5.300 3.357 2.893 3.888 0.407 8 0 "[ . 1 . 2]" 1
168 1 8 C H4' 1 8 C H5' 3.300 2.600 4.000 2.582 2.446 3.038 0.154 3 0 "[ . 1 . 2]" 1
169 1 8 C H4' 1 8 C H5'' 3.300 2.600 4.000 2.554 2.399 3.048 0.201 4 0 "[ . 1 . 2]" 1
170 1 8 C H1' 1 8 C H6 4.000 2.800 5.200 3.459 2.624 3.598 0.176 19 0 "[ . 1 . 2]" 1
171 1 8 C H2' 1 9 C H6 2.500 . 3.200 3.039 2.477 3.298 0.098 17 0 "[ . 1 . 2]" 1
172 1 8 C H3' 1 8 C H5 5.000 4.000 6.000 5.110 4.923 6.018 0.018 19 0 "[ . 1 . 2]" 1
173 1 8 C H3' 1 8 C H6 4.300 3.600 5.000 3.374 3.192 4.116 0.408 11 0 "[ . 1 . 2]" 1
174 1 8 C H3' 1 9 C H6 3.300 2.600 4.300 2.661 2.458 2.937 0.142 19 0 "[ . 1 . 2]" 1
175 1 8 C H4' 1 8 C H6 5.000 3.500 6.500 4.282 4.063 4.595 . 0 0 "[ . 1 . 2]" 1
176 1 8 C H5' 1 8 C H6 5.000 3.500 6.500 3.659 3.320 6.562 0.180 18 0 "[ . 1 . 2]" 1
177 1 8 C H5' 1 9 C H6 5.000 3.500 6.500 6.286 4.697 6.762 0.262 8 0 "[ . 1 . 2]" 1
178 1 8 C H5'' 1 8 C H6 5.000 3.500 6.500 4.338 3.320 6.533 0.180 20 0 "[ . 1 . 2]" 1
179 1 8 C H5'' 1 9 C H5 5.000 3.500 6.500 5.896 4.647 6.575 0.075 4 0 "[ . 1 . 2]" 1
180 1 8 C H5 1 9 C H6 5.000 4.000 6.000 5.949 5.280 6.064 0.064 4 0 "[ . 1 . 2]" 1
181 1 8 C H6 1 9 C H5 4.000 3.000 5.000 4.101 3.423 5.076 0.076 19 0 "[ . 1 . 2]" 1
182 1 9 C H1' 1 9 C H2' 2.700 2.200 3.200 2.842 2.721 2.921 . 0 0 "[ . 1 . 2]" 1
183 1 9 C H1' 1 9 C H3' 4.300 3.600 5.000 3.813 3.732 3.891 . 0 0 "[ . 1 . 2]" 1
184 1 9 C H1' 1 9 C H4' 3.300 2.600 4.000 2.831 2.608 3.482 . 0 0 "[ . 1 . 2]" 1
185 1 9 C H2' 1 9 C H3' 3.000 2.200 3.800 2.312 2.210 2.386 . 0 0 "[ . 1 . 2]" 1
186 1 9 C H2' 1 10 G H5'' 4.300 3.300 5.300 4.554 3.457 5.332 0.032 13 0 "[ . 1 . 2]" 1
187 1 9 C H3' 1 9 C H5' 4.300 3.300 5.300 3.561 2.904 4.014 0.396 1 0 "[ . 1 . 2]" 1
188 1 9 C H4' 1 9 C H5' 3.300 2.500 4.100 2.462 2.363 2.610 0.137 20 0 "[ . 1 . 2]" 1
189 1 9 C H4' 1 9 C H5'' 3.300 2.500 4.100 2.854 2.448 3.123 0.052 10 0 "[ . 1 . 2]" 1
190 1 9 C H1' 1 9 C H6 4.300 3.300 5.300 3.581 3.509 3.665 . 0 0 "[ . 1 . 2]" 1
191 1 9 C H2' 1 9 C H6 3.700 2.700 4.700 3.935 3.836 4.079 . 0 0 "[ . 1 . 2]" 1
192 1 9 C H2' 1 10 G H8 2.700 . 3.500 2.265 2.199 2.706 . 0 0 "[ . 1 . 2]" 1
193 1 9 C H3' 1 9 C H6 4.300 3.300 5.300 3.701 3.168 4.667 0.132 19 0 "[ . 1 . 2]" 1
194 1 9 C H3' 1 10 G H8 3.700 2.700 4.700 3.037 2.645 3.761 0.055 20 0 "[ . 1 . 2]" 1
195 1 10 G H1' 1 10 G H2' 2.500 . 3.000 2.582 2.536 2.632 . 0 0 "[ . 1 . 2]" 1
196 1 10 G H1' 1 10 G H3' 4.300 3.600 5.000 3.719 3.618 3.914 . 0 0 "[ . 1 . 2]" 1
197 1 10 G H1' 1 10 G H4' 3.300 2.600 4.000 3.214 2.954 3.575 . 0 0 "[ . 1 . 2]" 1
198 1 10 G H2' 1 10 G H3' 2.500 . 3.000 2.240 2.200 2.318 . 0 0 "[ . 1 . 2]" 1
199 1 10 G H3' 1 10 G H4' 3.300 2.500 4.100 3.094 3.075 3.131 . 0 0 "[ . 1 . 2]" 1
200 1 10 G H3' 1 10 G H5' 4.300 3.300 5.300 3.610 3.135 3.939 0.165 16 0 "[ . 1 . 2]" 1
201 1 10 G H3' 1 10 G H5'' 4.300 3.500 5.100 3.243 3.171 3.337 0.329 18 0 "[ . 1 . 2]" 1
202 1 10 G H4' 1 10 G H5' 3.300 2.500 4.100 2.480 2.406 2.557 0.094 9 0 "[ . 1 . 2]" 1
203 1 10 G H4' 1 10 G H5'' 3.300 2.500 4.100 2.740 2.484 3.138 0.016 10 0 "[ . 1 . 2]" 1
204 1 10 G H2' 1 11 A H4' 5.000 4.000 6.000 4.398 3.817 4.811 0.183 11 0 "[ . 1 . 2]" 1
205 1 10 G H2' 1 11 A H5' 4.300 3.300 5.600 4.037 3.206 4.571 0.094 1 0 "[ . 1 . 2]" 1
206 1 10 G H2' 1 11 A H5'' 4.300 3.300 5.600 3.502 3.253 4.320 0.047 18 0 "[ . 1 . 2]" 1
207 1 10 G H1' 1 10 G H8 4.300 3.300 5.300 3.671 3.613 3.711 . 0 0 "[ . 1 . 2]" 1
208 1 10 G H2' 1 10 G H8 3.300 2.600 4.000 4.044 3.991 4.082 0.082 1 0 "[ . 1 . 2]" 1
209 1 10 G H2' 1 12 C H5 3.500 2.500 4.500 2.406 2.341 2.458 0.159 1 0 "[ . 1 . 2]" 1
210 1 10 G H2' 1 12 C H6 5.000 4.000 6.000 4.437 4.096 4.618 . 0 0 "[ . 1 . 2]" 1
211 1 10 G H3' 1 10 G H8 3.700 2.700 5.200 3.520 2.853 4.067 . 0 0 "[ . 1 . 2]" 1
212 1 10 G H3' 1 12 C H5 4.300 3.300 5.300 3.997 3.250 4.264 0.050 15 0 "[ . 1 . 2]" 1
213 1 10 G H8 1 12 C H5 5.000 4.000 6.000 4.437 3.950 4.713 0.050 15 0 "[ . 1 . 2]" 1
214 1 11 A H1' 1 11 A H2' 2.500 . 3.000 2.982 2.864 3.052 0.052 12 0 "[ . 1 . 2]" 1
215 1 11 A H1' 1 11 A H3' 4.300 3.600 5.000 3.877 3.654 4.024 . 0 0 "[ . 1 . 2]" 1
216 1 11 A H1' 1 11 A H4' 3.300 2.600 4.000 3.103 2.510 3.607 0.090 19 0 "[ . 1 . 2]" 1
217 1 11 A H1' 1 11 A H5' 5.000 4.000 6.000 4.548 4.298 5.069 . 0 0 "[ . 1 . 2]" 1
218 1 11 A H1' 1 11 A H5'' 5.000 4.000 6.000 4.867 4.545 5.231 . 0 0 "[ . 1 . 2]" 1
219 1 11 A H2' 1 11 A H3' 2.500 . 3.000 2.260 2.204 2.323 . 0 0 "[ . 1 . 2]" 1
220 1 11 A H2' 1 11 A H4' 5.000 4.000 6.000 3.928 3.842 4.041 0.158 12 0 "[ . 1 . 2]" 1
221 1 11 A H2' 1 11 A H5' 4.300 3.300 5.300 4.258 3.247 4.671 0.053 15 0 "[ . 1 . 2]" 1
222 1 11 A H2' 1 11 A H5'' 5.000 4.000 6.000 4.333 3.290 4.624 0.710 11 3 "[ * . - 1+ . 2]" 1
223 1 11 A H3' 1 11 A H4' 3.300 2.600 4.000 2.888 2.755 2.963 . 0 0 "[ . 1 . 2]" 1
224 1 11 A H3' 1 11 A H5' 3.300 2.700 3.900 3.370 2.495 3.682 0.205 11 0 "[ . 1 . 2]" 1
225 1 11 A H3' 1 11 A H5'' 3.300 2.600 4.300 2.885 2.473 3.587 0.127 1 0 "[ . 1 . 2]" 1
226 1 11 A H4' 1 11 A H5' 2.500 . 3.100 2.642 2.368 3.012 . 0 0 "[ . 1 . 2]" 1
227 1 11 A H4' 1 11 A H5'' 2.500 . 3.100 2.481 2.298 3.092 . 0 0 "[ . 1 . 2]" 1
228 1 11 A H1' 1 11 A H8 3.300 2.300 4.300 3.780 3.525 3.924 . 0 0 "[ . 1 . 2]" 1
229 1 11 A H2' 1 11 A H8 2.800 2.300 3.600 2.989 2.254 3.665 0.065 15 0 "[ . 1 . 2]" 1
230 1 11 A H3' 1 11 A H8 4.300 3.600 5.000 4.380 3.525 5.027 0.075 2 0 "[ . 1 . 2]" 1
231 1 11 A H3' 1 12 C H5 4.000 2.500 5.500 3.389 2.460 5.550 0.050 11 0 "[ . 1 . 2]" 1
232 1 11 A H3' 1 12 C H6 5.000 3.500 6.500 3.949 3.435 5.292 0.065 12 0 "[ . 1 . 2]" 1
233 1 11 A H4' 1 11 A H8 5.500 4.000 7.000 4.788 4.482 5.056 . 0 0 "[ . 1 . 2]" 1
234 1 11 A H4' 1 12 C H5 3.700 2.900 4.600 4.047 2.965 4.632 0.032 12 0 "[ . 1 . 2]" 1
235 1 11 A H4' 1 12 C H6 4.300 3.300 5.300 4.145 3.194 4.802 0.106 7 0 "[ . 1 . 2]" 1
236 1 11 A H5' 1 11 A H8 4.300 2.800 5.800 4.157 2.929 5.324 . 0 0 "[ . 1 . 2]" 1
237 1 11 A H5'' 1 11 A H8 5.000 4.000 6.000 4.762 3.224 5.757 0.776 3 2 "[ + . - 1 . 2]" 1
238 1 11 A H5' 1 12 C H5 5.000 3.500 6.000 4.962 3.954 5.461 . 0 0 "[ . 1 . 2]" 1
239 1 11 A H5'' 1 12 C H5 5.000 3.500 6.000 3.997 3.445 5.469 0.055 8 0 "[ . 1 . 2]" 1
240 1 12 C H1' 1 12 C H2' 2.500 . 3.000 2.614 2.574 2.666 . 0 0 "[ . 1 . 2]" 1
241 1 12 C H1' 1 12 C H3' 4.300 3.600 5.000 3.855 3.792 3.950 . 0 0 "[ . 1 . 2]" 1
242 1 12 C H1' 1 12 C H4' 3.300 2.800 4.300 3.392 3.149 3.519 . 0 0 "[ . 1 . 2]" 1
243 1 12 C H2' 1 12 C H3' 2.500 . 3.300 2.417 2.344 2.462 . 0 0 "[ . 1 . 2]" 1
244 1 12 C H2' 1 12 C H4' 5.000 4.000 6.000 3.931 3.899 3.970 0.101 16 0 "[ . 1 . 2]" 1
245 1 12 C H3' 1 12 C H4' 2.500 . 3.200 2.997 2.939 3.029 . 0 0 "[ . 1 . 2]" 1
246 1 12 C H3' 1 12 C H5' 4.300 2.800 5.300 3.367 3.221 3.659 . 0 0 "[ . 1 . 2]" 1
247 1 12 C H3' 1 12 C H5'' 4.300 3.300 5.300 3.328 3.180 3.590 0.120 1 0 "[ . 1 . 2]" 1
248 1 12 C H4' 1 12 C H5' 2.500 . 3.200 2.753 2.578 2.913 . 0 0 "[ . 1 . 2]" 1
249 1 12 C H2' 1 13 C H5'' 5.000 4.000 6.000 5.081 4.604 5.534 . 0 0 "[ . 1 . 2]" 1
250 1 12 C H1' 1 12 C H6 4.300 3.300 5.300 3.495 3.398 3.564 . 0 0 "[ . 1 . 2]" 1
251 1 12 C H1' 1 13 C H6 5.000 4.000 6.000 4.953 4.686 5.117 . 0 0 "[ . 1 . 2]" 1
252 1 12 C H2' 1 13 C H5 3.300 2.500 4.100 2.993 2.498 3.308 0.002 2 0 "[ . 1 . 2]" 1
253 1 12 C H2' 1 13 C H6 2.500 . 3.000 2.399 2.198 2.559 . 0 0 "[ . 1 . 2]" 1
254 1 12 C H3' 1 12 C H6 3.800 2.800 4.800 3.116 2.885 3.480 . 0 0 "[ . 1 . 2]" 1
255 1 12 C H3' 1 13 C H5 5.000 4.000 6.000 3.840 3.782 3.886 0.218 13 0 "[ . 1 . 2]" 1
256 1 12 C H3' 1 13 C H6 3.300 2.800 4.300 3.518 3.221 3.922 . 0 0 "[ . 1 . 2]" 1
257 1 12 C H5' 1 12 C H6 4.300 2.600 6.000 2.439 2.197 3.050 0.403 10 0 "[ . 1 . 2]" 1
258 1 13 C H1' 1 13 C H2' 2.500 . 3.000 2.778 2.705 2.834 . 0 0 "[ . 1 . 2]" 1
259 1 13 C H1' 1 13 C H3' 5.000 4.000 6.000 3.855 3.806 3.913 0.194 7 0 "[ . 1 . 2]" 1
260 1 13 C H2' 1 13 C H3' 2.500 . 3.200 2.295 2.265 2.388 . 0 0 "[ . 1 . 2]" 1
261 1 13 C H2' 1 13 C H4' 4.300 3.600 5.000 3.740 3.639 3.825 . 0 0 "[ . 1 . 2]" 1
262 1 13 C H3' 1 13 C H4' 2.500 . 3.200 3.018 2.999 3.040 . 0 0 "[ . 1 . 2]" 1
263 1 13 C H3' 1 13 C H5' 3.300 2.600 4.000 3.721 3.575 3.875 . 0 0 "[ . 1 . 2]" 1
264 1 13 C H4' 1 13 C H5' 2.500 . 3.000 2.255 2.211 2.327 . 0 0 "[ . 1 . 2]" 1
265 1 13 C H4' 1 13 C H5'' 2.500 . 3.200 2.724 2.509 2.853 . 0 0 "[ . 1 . 2]" 1
266 1 13 C H2' 1 14 A H1' 4.500 3.500 5.500 4.386 3.783 5.069 . 0 0 "[ . 1 . 2]" 1
267 1 13 C H2' 1 14 A H4' 5.000 4.000 6.000 4.169 3.917 4.728 0.083 12 0 "[ . 1 . 2]" 1
268 1 13 C H2' 1 14 A H5' 4.300 3.300 5.300 3.444 2.782 4.246 0.518 5 3 "[ + 1 - . * 2]" 1
269 1 13 C H2' 1 14 A H5'' 4.300 2.800 4.800 3.703 3.177 4.557 . 0 0 "[ . 1 . 2]" 1
270 1 13 C H1' 1 13 C H6 5.000 4.000 6.000 3.750 3.699 3.807 0.301 1 0 "[ . 1 . 2]" 1
271 1 13 C H1' 1 14 A H8 5.000 4.000 6.000 4.143 3.942 4.726 0.058 2 0 "[ . 1 . 2]" 1
272 1 13 C H1' 1 24 A H2 3.300 2.300 4.300 2.401 2.265 2.965 0.035 14 0 "[ . 1 . 2]" 1
273 1 13 C H2' 1 13 C H6 4.300 3.300 5.300 4.077 3.784 4.321 . 0 0 "[ . 1 . 2]" 1
274 1 13 C H2' 1 14 A H8 2.500 . 3.000 2.198 2.193 2.202 . 0 0 "[ . 1 . 2]" 1
275 1 13 C H2' 1 24 A H2 4.300 3.300 5.300 4.175 3.913 4.558 . 0 0 "[ . 1 . 2]" 1
276 1 13 C H3' 1 13 C H6 2.500 . 3.200 3.207 2.844 3.341 0.141 14 0 "[ . 1 . 2]" 1
277 1 13 C H3' 1 14 A H8 3.300 2.600 4.000 3.357 2.511 4.035 0.089 1 0 "[ . 1 . 2]" 1
278 1 13 C H4' 1 13 C H6 5.000 4.000 6.000 4.197 4.108 4.318 . 0 0 "[ . 1 . 2]" 1
279 1 13 C H4' 1 24 A H2 4.300 3.300 5.300 3.330 3.215 3.843 0.085 3 0 "[ . 1 . 2]" 1
280 1 13 C H5' 1 13 C H6 5.000 4.000 6.000 4.188 3.963 4.391 0.037 3 0 "[ . 1 . 2]" 1
281 1 13 C H5'' 1 13 C H6 5.000 4.000 6.000 3.951 3.819 4.198 0.181 15 0 "[ . 1 . 2]" 1
282 1 14 A H1' 1 14 A H2' 2.500 . 3.000 2.541 2.457 2.719 . 0 0 "[ . 1 . 2]" 1
283 1 14 A H1' 1 14 A H3' 4.300 3.600 5.000 3.850 3.766 3.930 . 0 0 "[ . 1 . 2]" 1
284 1 14 A H1' 1 14 A H4' 3.300 2.600 4.000 3.150 2.923 3.353 . 0 0 "[ . 1 . 2]" 1
285 1 14 A H1' 1 14 A H5' 5.000 3.500 6.500 4.872 4.604 5.177 . 0 0 "[ . 1 . 2]" 1
286 1 14 A H1' 1 14 A H5'' 5.000 3.500 6.500 5.067 4.867 5.262 . 0 0 "[ . 1 . 2]" 1
287 1 14 A H2' 1 14 A H3' 3.300 2.600 4.000 2.540 2.460 2.589 0.140 11 0 "[ . 1 . 2]" 1
288 1 14 A H3' 1 14 A H4' 2.500 . 3.000 3.025 2.974 3.051 0.051 11 0 "[ . 1 . 2]" 1
289 1 14 A H3' 1 14 A H5' 3.300 2.600 4.000 3.651 3.331 3.891 . 0 0 "[ . 1 . 2]" 1
290 1 14 A H4' 1 14 A H5' 2.500 . 3.200 2.324 2.207 2.507 . 0 0 "[ . 1 . 2]" 1
291 1 14 A H4' 1 14 A H5'' 2.500 . 3.200 2.689 2.388 3.018 . 0 0 "[ . 1 . 2]" 1
292 1 14 A H2' 1 15 C H1' 4.000 2.800 5.200 3.455 2.944 3.669 . 0 0 "[ . 1 . 2]" 1
293 1 14 A H1' 1 14 A H8 5.000 4.000 6.000 3.797 3.732 3.853 0.268 15 0 "[ . 1 . 2]" 1
294 1 14 A H1' 1 15 C H6 5.000 4.000 6.000 4.753 4.276 5.334 . 0 0 "[ . 1 . 2]" 1
295 1 14 A H1' 1 21 A H2 3.300 2.300 4.300 2.372 2.234 3.116 0.066 3 0 "[ . 1 . 2]" 1
296 1 14 A H2' 1 15 C H5 4.300 3.600 5.000 4.382 3.983 5.034 0.034 12 0 "[ . 1 . 2]" 1
297 1 14 A H2' 1 15 C H6 2.500 . 3.500 2.601 2.201 3.311 . 0 0 "[ . 1 . 2]" 1
298 1 14 A H2' 1 21 A H2 5.000 3.500 6.500 4.318 3.914 5.084 . 0 0 "[ . 1 . 2]" 1
299 1 14 A H3' 1 14 A H8 3.300 2.600 4.000 3.468 2.913 4.037 0.037 2 0 "[ . 1 . 2]" 1
300 1 14 A H3' 1 15 C H5 4.300 3.300 5.300 4.311 3.711 5.366 0.066 20 0 "[ . 1 . 2]" 1
301 1 14 A H3' 1 15 C H6 3.500 2.500 4.500 2.953 2.446 3.887 0.054 13 0 "[ . 1 . 2]" 1
302 1 14 A H4' 1 21 A H2 4.300 2.800 5.800 2.921 2.681 3.350 0.119 2 0 "[ . 1 . 2]" 1
303 1 14 A H5' 1 14 A H8 5.000 3.500 6.500 4.607 3.867 5.181 . 0 0 "[ . 1 . 2]" 1
304 1 14 A H5' 1 22 A H2 5.000 3.500 6.500 4.918 3.618 5.794 . 0 0 "[ . 1 . 2]" 1
305 1 14 A H5'' 1 14 A H8 5.000 3.500 6.500 4.316 3.433 5.004 0.067 11 0 "[ . 1 . 2]" 1
306 1 14 A H5'' 1 22 A H2 5.000 3.500 6.500 6.273 5.082 6.658 0.158 11 0 "[ . 1 . 2]" 1
307 1 15 C H1' 1 15 C H2' 2.500 . 3.000 2.714 2.602 2.764 . 0 0 "[ . 1 . 2]" 1
308 1 15 C H1' 1 15 C H3' 4.300 3.600 5.000 3.745 3.666 3.794 . 0 0 "[ . 1 . 2]" 1
309 1 15 C H1' 1 15 C H4' 3.300 2.600 4.000 2.919 2.739 3.164 . 0 0 "[ . 1 . 2]" 1
310 1 15 C H2' 1 15 C H3' 2.500 . 3.000 2.349 2.261 2.410 . 0 0 "[ . 1 . 2]" 1
311 1 15 C H3' 1 15 C H4' 2.500 . 3.200 3.025 3.004 3.051 . 0 0 "[ . 1 . 2]" 1
312 1 15 C H3' 1 15 C H5' 3.300 2.800 4.100 3.511 2.876 3.771 . 0 0 "[ . 1 . 2]" 1
313 1 15 C H3' 1 15 C H5'' 3.300 2.800 3.800 2.865 2.627 3.108 0.173 15 0 "[ . 1 . 2]" 1
314 1 15 C H4' 1 15 C H5' 2.500 . 3.200 2.443 2.307 2.565 . 0 0 "[ . 1 . 2]" 1
315 1 15 C H4' 1 15 C H5'' 2.500 . 3.200 2.648 2.419 3.062 . 0 0 "[ . 1 . 2]" 1
316 1 15 C H2' 1 16 U H5' 5.000 4.000 6.000 4.910 3.930 5.665 0.070 19 0 "[ . 1 . 2]" 1
317 1 15 C H1' 1 15 C H6 3.300 2.600 4.000 3.609 3.524 3.694 . 0 0 "[ . 1 . 2]" 1
318 1 14 A H2 1 15 C H1' 5.000 3.500 6.500 3.318 3.228 3.473 0.272 19 0 "[ . 1 . 2]" 1
319 1 15 C H1' 1 16 U H6 4.500 3.000 6.000 4.979 4.427 5.581 . 0 0 "[ . 1 . 2]" 1
320 1 15 C H1' 1 19 A H2 5.000 3.500 6.500 4.356 3.413 5.271 0.087 9 0 "[ . 1 . 2]" 1
321 1 15 C H1' 1 20 A H2 5.000 4.000 6.000 5.313 4.165 5.953 . 0 0 "[ . 1 . 2]" 1
322 1 15 C H2' 1 15 C H6 4.300 3.500 5.100 3.947 3.730 4.069 . 0 0 "[ . 1 . 2]" 1
323 1 15 C H2' 1 16 U H5 4.300 3.300 4.800 3.792 3.258 4.376 0.042 19 0 "[ . 1 . 2]" 1
324 1 15 C H2' 1 16 U H6 2.500 . 3.000 2.619 2.200 3.019 0.019 10 0 "[ . 1 . 2]" 1
325 1 15 C H2' 1 18 A H2 5.000 3.500 6.500 3.909 3.459 5.061 0.041 13 0 "[ . 1 . 2]" 1
326 1 15 C H3' 1 15 C H6 3.300 2.600 4.000 3.594 3.207 4.039 0.039 11 0 "[ . 1 . 2]" 1
327 1 15 C H3' 1 16 U H5 4.300 3.600 5.300 4.832 4.158 5.563 0.263 11 0 "[ . 1 . 2]" 1
328 1 15 C H3' 1 16 U H6 3.300 2.600 4.000 3.961 3.646 4.098 0.098 1 0 "[ . 1 . 2]" 1
329 1 15 C H3' 1 20 A H2 5.000 4.000 6.000 6.055 5.914 6.141 0.141 11 0 "[ . 1 . 2]" 1
330 1 15 C H4' 1 15 C H6 5.000 4.000 6.000 4.486 4.340 4.610 . 0 0 "[ . 1 . 2]" 1
331 1 15 C H4' 1 19 A H2 5.000 3.500 6.500 4.137 3.509 5.250 . 0 0 "[ . 1 . 2]" 1
332 1 15 C H4' 1 20 A H2 4.300 2.800 5.300 3.196 2.913 3.542 . 0 0 "[ . 1 . 2]" 1
333 1 15 C H5' 1 15 C H6 5.000 4.000 6.000 4.539 3.966 5.354 0.034 19 0 "[ . 1 . 2]" 1
334 1 15 C H5'' 1 15 C H6 5.000 4.000 6.000 4.611 3.861 5.243 0.139 2 0 "[ . 1 . 2]" 1
335 1 15 C H5' 1 20 A H2 5.000 4.000 6.000 3.903 3.303 4.311 0.697 15 2 "[ . - 1 + 2]" 1
336 1 15 C H5'' 1 20 A H2 4.300 3.300 5.800 4.517 3.814 5.442 . 0 0 "[ . 1 . 2]" 1
337 1 15 C H5 1 16 U H5 5.000 3.500 6.500 3.755 3.461 4.537 0.039 10 0 "[ . 1 . 2]" 1
338 1 15 C H6 1 16 U H5 5.000 4.000 6.000 4.061 3.929 4.610 0.071 4 0 "[ . 1 . 2]" 1
339 1 15 C H6 1 16 U H6 5.000 4.000 6.000 4.993 4.629 5.652 . 0 0 "[ . 1 . 2]" 1
340 1 16 U H1' 1 16 U H2' 2.500 . 3.000 2.824 2.641 3.091 0.091 11 0 "[ . 1 . 2]" 1
341 1 16 U H1' 1 16 U H3' 4.300 3.600 5.000 3.693 3.547 3.815 0.053 17 0 "[ . 1 . 2]" 1
342 1 16 U H1' 1 16 U H4' 3.300 2.600 4.000 2.773 2.565 3.041 0.035 11 0 "[ . 1 . 2]" 1
343 1 16 U H1' 1 16 U H5' 5.000 3.500 6.500 4.822 4.311 5.129 . 0 0 "[ . 1 . 2]" 1
344 1 16 U H1' 1 16 U H5'' 5.000 3.500 6.500 4.692 4.581 5.090 . 0 0 "[ . 1 . 2]" 1
345 1 16 U H2' 1 16 U H3' 2.500 . 3.000 2.477 2.201 2.541 . 0 0 "[ . 1 . 2]" 1
346 1 16 U H2' 1 16 U H5'' 5.000 3.500 6.500 3.959 3.418 4.772 0.082 11 0 "[ . 1 . 2]" 1
347 1 16 U H3' 1 16 U H4' 3.300 2.600 4.000 2.861 2.805 2.972 . 0 0 "[ . 1 . 2]" 1
348 1 16 U H3' 1 16 U H5' 3.300 2.600 4.000 2.771 2.459 3.765 0.141 10 0 "[ . 1 . 2]" 1
349 1 16 U H3' 1 16 U H5'' 3.300 2.600 4.000 2.603 2.329 2.894 0.271 11 0 "[ . 1 . 2]" 1
350 1 16 U H4' 1 16 U H5' 2.500 . 3.000 2.421 2.201 2.622 . 0 0 "[ . 1 . 2]" 1
351 1 16 U H4' 1 16 U H5'' 2.500 . 3.000 3.004 2.618 3.064 0.064 13 0 "[ . 1 . 2]" 1
352 1 16 U H4' 1 17 U H5' 3.300 2.600 4.000 3.261 2.901 3.633 . 0 0 "[ . 1 . 2]" 1
353 1 16 U H4' 1 17 U H5'' 4.300 3.300 4.800 4.488 3.772 4.910 0.110 16 0 "[ . 1 . 2]" 1
354 1 16 U H1' 1 16 U H6 4.300 3.600 5.000 3.482 3.399 3.562 0.201 14 0 "[ . 1 . 2]" 1
355 1 16 U H1' 1 17 U H5 3.300 2.600 4.000 3.904 2.917 4.072 0.072 5 0 "[ . 1 . 2]" 1
356 1 16 U H1' 1 17 U H6 3.300 2.600 4.000 3.691 2.565 4.015 0.035 11 0 "[ . 1 . 2]" 1
357 1 16 U H1' 1 18 A H2 3.300 2.300 4.300 2.762 2.266 3.383 0.034 18 0 "[ . 1 . 2]" 1
358 1 16 U H2' 1 16 U H5 4.300 3.600 5.000 5.062 5.031 5.138 0.138 17 0 "[ . 1 . 2]" 1
359 1 16 U H2' 1 16 U H6 2.500 . 3.000 3.250 2.833 3.385 0.385 17 0 "[ . 1 . 2]" 1
360 1 16 U H3' 1 16 U H6 3.300 2.300 4.300 4.412 2.375 4.613 0.313 9 0 "[ . 1 . 2]" 1
361 1 16 U H3' 1 18 A H2 5.000 4.000 6.000 5.082 4.161 5.827 . 0 0 "[ . 1 . 2]" 1
362 1 16 U H4' 1 18 A H2 2.500 . 3.500 2.587 2.201 3.174 . 0 0 "[ . 1 . 2]" 1
363 1 16 U H5' 1 16 U H6 5.000 4.000 6.000 5.157 4.528 6.346 0.346 11 0 "[ . 1 . 2]" 1
364 1 16 U H5'' 1 16 U H6 5.000 4.000 6.000 4.014 3.761 6.066 0.239 17 0 "[ . 1 . 2]" 1
365 1 16 U H5' 1 18 A H2 5.000 4.000 6.000 4.741 3.966 5.350 0.034 11 0 "[ . 1 . 2]" 1
366 1 16 U H5'' 1 18 A H2 5.000 4.000 6.000 5.189 4.309 5.915 . 0 0 "[ . 1 . 2]" 1
367 1 16 U H6 1 18 A H2 5.000 4.000 6.000 4.900 4.112 5.819 . 0 0 "[ . 1 . 2]" 1
368 1 17 U H1' 1 17 U H2' 2.500 . 3.000 2.986 2.951 2.999 . 0 0 "[ . 1 . 2]" 1
369 1 17 U H1' 1 17 U H3' 4.300 3.600 5.000 3.602 3.578 3.630 0.022 7 0 "[ . 1 . 2]" 1
370 1 17 U H1' 1 17 U H4' 3.300 2.600 4.000 3.256 2.949 3.390 . 0 0 "[ . 1 . 2]" 1
371 1 17 U H1' 1 17 U H5' 5.000 4.000 6.500 4.747 4.662 5.013 . 0 0 "[ . 1 . 2]" 1
372 1 17 U H1' 1 17 U H5'' 5.000 4.000 6.500 5.045 4.927 5.125 . 0 0 "[ . 1 . 2]" 1
373 1 17 U H2' 1 17 U H3' 2.500 . 3.000 2.643 2.562 2.754 . 0 0 "[ . 1 . 2]" 1
374 1 17 U H2' 1 17 U H4' 5.000 4.000 6.000 3.877 3.841 3.913 0.159 7 0 "[ . 1 . 2]" 1
375 1 17 U H2' 1 17 U H5' 5.000 4.000 6.000 3.995 3.860 4.694 0.140 4 0 "[ . 1 . 2]" 1
376 1 17 U H2' 1 17 U H5'' 5.000 4.000 6.000 3.900 3.662 3.984 0.338 11 0 "[ . 1 . 2]" 1
377 1 17 U H3' 1 17 U H4' 2.500 . 3.000 2.815 2.765 2.868 . 0 0 "[ . 1 . 2]" 1
378 1 17 U H3' 1 17 U H5' 3.300 2.600 4.000 3.889 3.512 4.014 0.014 19 0 "[ . 1 . 2]" 1
379 1 17 U H3' 1 17 U H5'' 3.300 2.600 4.000 2.883 2.542 3.117 0.058 11 0 "[ . 1 . 2]" 1
380 1 17 U H4' 1 17 U H5' 3.300 2.600 4.000 2.563 2.398 2.607 0.202 11 0 "[ . 1 . 2]" 1
381 1 17 U H4' 1 17 U H5'' 3.300 2.600 4.000 2.568 2.481 3.005 0.119 7 0 "[ . 1 . 2]" 1
382 1 17 U H4' 1 18 A H1' 5.000 4.000 6.000 4.083 3.913 4.349 0.087 7 0 "[ . 1 . 2]" 1
383 1 17 U H4' 1 18 A H4' 5.000 4.000 6.000 4.138 3.926 4.431 0.074 11 0 "[ . 1 . 2]" 1
384 1 17 U H5' 1 18 A H1' 5.000 4.000 6.500 4.068 3.913 4.779 0.087 15 0 "[ . 1 . 2]" 1
385 1 17 U H5'' 1 18 A H1' 5.000 4.000 6.500 4.524 4.018 6.334 . 0 0 "[ . 1 . 2]" 1
386 1 17 U H5'' 1 18 A H4' 5.000 4.000 6.000 4.126 3.180 5.384 0.820 9 1 "[ . +1 . 2]" 1
387 1 17 U H1' 1 17 U H6 3.300 2.600 4.000 3.759 3.653 3.827 . 0 0 "[ . 1 . 2]" 1
388 1 17 U H2' 1 17 U H5 4.300 3.600 5.000 4.397 4.330 4.585 . 0 0 "[ . 1 . 2]" 1
389 1 17 U H2' 1 17 U H6 2.500 . 3.000 2.331 2.199 2.811 . 0 0 "[ . 1 . 2]" 1
390 1 17 U H3' 1 17 U H6 4.300 3.300 5.300 4.677 4.560 4.905 . 0 0 "[ . 1 . 2]" 1
391 1 17 U H5' 1 17 U H6 5.000 4.000 6.000 3.998 3.839 4.917 0.161 5 0 "[ . 1 . 2]" 1
392 1 17 U H5'' 1 17 U H6 5.000 4.000 6.000 4.762 4.590 4.914 . 0 0 "[ . 1 . 2]" 1
393 1 17 U H5' 1 18 A H2 5.000 3.500 6.500 3.743 3.432 5.675 0.068 13 0 "[ . 1 . 2]" 1
394 1 17 U H5'' 1 18 A H2 5.000 3.500 6.500 5.319 4.920 6.517 0.017 11 0 "[ . 1 . 2]" 1
395 1 17 U H6 1 18 A H2 5.000 3.500 6.500 5.316 3.932 5.833 . 0 0 "[ . 1 . 2]" 1
396 1 18 A H1' 1 18 A H2' 2.500 . 3.000 2.852 2.783 3.021 0.021 9 0 "[ . 1 . 2]" 1
397 1 18 A H1' 1 18 A H3' 4.300 3.600 5.000 3.854 3.786 4.014 . 0 0 "[ . 1 . 2]" 1
398 1 18 A H1' 1 18 A H4' 3.300 2.600 4.000 3.250 3.137 3.329 . 0 0 "[ . 1 . 2]" 1
399 1 18 A H2' 1 18 A H3' 2.500 . 3.000 2.272 2.200 2.407 . 0 0 "[ . 1 . 2]" 1
400 1 18 A H2' 1 18 A H4' 5.000 4.000 6.000 3.917 3.860 4.025 0.140 16 0 "[ . 1 . 2]" 1
401 1 18 A H2' 1 18 A H5' 4.300 3.300 5.300 5.183 4.548 5.367 0.067 17 0 "[ . 1 . 2]" 1
402 1 18 A H2' 1 18 A H5'' 5.000 4.000 6.000 4.577 3.237 5.100 0.763 20 1 "[ . 1 . +]" 1
403 1 18 A H3' 1 18 A H4' 3.300 2.600 4.000 2.993 2.748 3.065 . 0 0 "[ . 1 . 2]" 1
404 1 18 A H3' 1 18 A H5' 3.000 2.300 3.700 3.615 3.054 3.705 0.005 6 0 "[ . 1 . 2]" 1
405 1 18 A H3' 1 18 A H5'' 3.000 2.300 3.700 2.644 2.228 3.172 0.072 11 0 "[ . 1 . 2]" 1
406 1 18 A H4' 1 18 A H5' 2.500 . 3.200 2.413 2.230 2.565 . 0 0 "[ . 1 . 2]" 1
407 1 18 A H4' 1 18 A H5'' 2.500 . 3.200 2.624 2.402 2.990 . 0 0 "[ . 1 . 2]" 1
408 1 18 A H1' 1 18 A H8 4.300 3.600 5.000 3.854 3.825 3.919 . 0 0 "[ . 1 . 2]" 1
409 1 18 A H1' 1 19 A H8 5.000 4.000 6.000 4.957 3.911 6.016 0.089 11 0 "[ . 1 . 2]" 1
410 1 18 A H2' 1 18 A H8 2.500 . 3.200 2.204 2.197 2.256 . 0 0 "[ . 1 . 2]" 1
411 1 18 A H2' 1 19 A H8 4.300 3.800 5.300 3.897 3.707 4.414 0.093 15 0 "[ . 1 . 2]" 1
412 1 18 A H3' 1 18 A H8 3.300 2.600 4.000 2.859 2.523 4.136 0.136 20 0 "[ . 1 . 2]" 1
413 1 18 A H5'' 1 18 A H8 5.000 4.000 6.500 4.869 3.855 5.489 0.145 20 0 "[ . 1 . 2]" 1
414 1 19 A H1' 1 19 A H2' 3.300 2.300 4.300 2.860 2.752 3.106 . 0 0 "[ . 1 . 2]" 1
415 1 19 A H1' 1 19 A H3' 5.000 4.000 6.000 3.938 3.854 3.989 0.146 16 0 "[ . 1 . 2]" 1
416 1 19 A H1' 1 19 A H4' 3.300 2.300 4.300 2.997 2.199 3.383 0.101 5 0 "[ . 1 . 2]" 1
417 1 19 A H1' 1 19 A H5' 5.000 4.500 6.500 4.807 4.340 5.207 0.160 8 0 "[ . 1 . 2]" 1
418 1 19 A H1' 1 19 A H5'' 5.000 4.500 6.500 4.858 4.435 5.220 0.065 16 0 "[ . 1 . 2]" 1
419 1 19 A H2' 1 19 A H4' 3.300 2.800 4.100 3.894 3.629 4.010 . 0 0 "[ . 1 . 2]" 1
420 1 19 A H2' 1 19 A H5' 4.300 3.600 5.000 4.792 4.179 5.160 0.160 9 0 "[ . 1 . 2]" 1
421 1 19 A H3' 1 19 A H4' 2.500 . 3.000 2.995 2.937 3.025 0.025 5 0 "[ . 1 . 2]" 1
422 1 19 A H3' 1 19 A H5' 3.300 2.600 4.000 3.158 2.578 3.773 0.022 6 0 "[ . 1 . 2]" 1
423 1 19 A H3' 1 19 A H5'' 3.300 2.600 4.000 2.708 2.484 3.530 0.116 14 0 "[ . 1 . 2]" 1
424 1 19 A H4' 1 19 A H5' 2.500 . 3.200 2.548 2.398 2.965 . 0 0 "[ . 1 . 2]" 1
425 1 19 A H4' 1 19 A H5'' 2.500 . 3.200 2.775 2.257 3.096 . 0 0 "[ . 1 . 2]" 1
426 1 19 A H1' 1 20 A H1' 5.000 4.000 6.000 4.042 3.905 4.658 0.095 12 0 "[ . 1 . 2]" 1
427 1 19 A H4' 1 20 A H1' 5.000 4.000 6.000 5.058 4.336 5.889 . 0 0 "[ . 1 . 2]" 1
428 1 19 A H4' 1 20 A H4' 5.000 4.000 6.000 4.135 3.878 4.811 0.122 15 0 "[ . 1 . 2]" 1
429 1 19 A H4' 1 20 A H5' 5.000 4.000 6.000 5.172 4.224 6.156 0.156 3 0 "[ . 1 . 2]" 1
430 1 19 A H1' 1 19 A H8 4.300 3.600 5.000 3.756 3.564 3.926 0.036 12 0 "[ . 1 . 2]" 1
431 1 19 A H1' 1 20 A H8 2.500 . 3.000 2.808 2.220 3.092 0.092 3 0 "[ . 1 . 2]" 1
432 1 19 A H2' 1 19 A H8 2.500 . 3.000 2.218 2.195 2.312 . 0 0 "[ . 1 . 2]" 1
433 1 19 A H3' 1 19 A H8 3.300 2.600 4.000 3.847 3.089 4.106 0.106 3 0 "[ . 1 . 2]" 1
434 1 19 A H4' 1 20 A H8 5.000 4.000 6.000 5.414 4.488 6.043 0.043 2 0 "[ . 1 . 2]" 1
435 1 19 A H2 1 20 A H2 5.000 4.000 6.000 4.222 3.947 4.662 0.053 11 0 "[ . 1 . 2]" 1
436 1 20 A H1' 1 20 A H2' 2.500 . 3.000 2.925 2.810 2.987 . 0 0 "[ . 1 . 2]" 1
437 1 20 A H1' 1 20 A H3' 3.300 2.300 4.300 3.911 3.889 3.942 . 0 0 "[ . 1 . 2]" 1
438 1 20 A H1' 1 20 A H4' 3.300 2.600 4.000 2.979 2.803 3.145 . 0 0 "[ . 1 . 2]" 1
439 1 20 A H3' 1 20 A H4' 3.300 2.600 4.000 3.015 2.896 3.052 . 0 0 "[ . 1 . 2]" 1
440 1 20 A H4' 1 20 A H5' 3.300 2.600 4.000 2.529 2.487 2.689 0.113 9 0 "[ . 1 . 2]" 1
441 1 20 A H4' 1 20 A H5'' 3.300 2.600 4.000 3.066 2.993 3.082 . 0 0 "[ . 1 . 2]" 1
442 1 20 A H1' 1 20 A H8 4.300 3.300 5.300 3.770 3.625 3.900 . 0 0 "[ . 1 . 2]" 1
443 1 19 A H2 1 20 A H1' 4.300 3.300 5.300 4.512 3.264 5.353 0.053 13 0 "[ . 1 . 2]" 1
444 1 20 A H1' 1 21 A H8 5.000 4.000 6.000 4.872 4.260 6.017 0.017 2 0 "[ . 1 . 2]" 1
445 1 20 A H2' 1 21 A H8 2.500 . 3.000 2.244 2.198 3.064 0.064 2 0 "[ . 1 . 2]" 1
446 1 20 A H3' 1 20 A H8 5.000 4.000 6.000 4.110 3.907 4.505 0.093 9 0 "[ . 1 . 2]" 1
447 1 20 A H3' 1 21 A H8 3.300 2.600 4.000 3.517 2.595 4.060 0.060 6 0 "[ . 1 . 2]" 1
448 1 20 A H5' 1 20 A H8 4.300 3.600 5.000 5.053 5.003 5.092 0.092 20 0 "[ . 1 . 2]" 1
449 1 20 A H5'' 1 20 A H8 4.300 3.600 5.000 3.548 3.532 3.610 0.068 19 0 "[ . 1 . 2]" 1
450 1 21 A H1' 1 21 A H2' 2.500 . 3.200 2.783 2.749 2.867 . 0 0 "[ . 1 . 2]" 1
451 1 21 A H1' 1 21 A H3' 4.300 3.600 5.000 3.823 3.761 3.847 . 0 0 "[ . 1 . 2]" 1
452 1 21 A H1' 1 21 A H4' 3.300 2.600 4.000 3.192 2.742 3.336 . 0 0 "[ . 1 . 2]" 1
453 1 21 A H2' 1 21 A H3' 2.500 . 3.000 2.586 2.474 2.616 . 0 0 "[ . 1 . 2]" 1
454 1 21 A H2' 1 21 A H4' 5.000 4.000 6.000 3.822 3.800 3.846 0.200 10 0 "[ . 1 . 2]" 1
455 1 21 A H3' 1 21 A H4' 3.300 2.600 4.000 3.092 3.078 3.153 . 0 0 "[ . 1 . 2]" 1
456 1 21 A H3' 1 21 A H5' 4.300 3.600 5.000 3.612 3.437 3.708 0.163 10 0 "[ . 1 . 2]" 1
457 1 21 A H3' 1 21 A H5'' 4.300 3.600 5.000 3.451 3.180 3.526 0.420 10 0 "[ . 1 . 2]" 1
458 1 21 A H4' 1 21 A H5' 2.500 . 3.200 2.610 2.531 2.677 . 0 0 "[ . 1 . 2]" 1
459 1 21 A H4' 1 21 A H5'' 2.500 . 3.200 2.352 2.250 3.128 . 0 0 "[ . 1 . 2]" 1
460 1 21 A H2' 1 22 A H2' 5.000 4.000 6.000 4.581 3.981 5.726 0.019 14 0 "[ . 1 . 2]" 1
461 1 21 A H2' 1 22 A H3' 5.000 4.000 6.500 4.420 3.963 5.698 0.037 15 0 "[ . 1 . 2]" 1
462 1 21 A H2' 1 22 A H5' 5.000 4.000 6.000 4.091 3.772 4.909 0.228 18 0 "[ . 1 . 2]" 1
463 1 21 A H2' 1 22 A H5'' 5.000 4.000 6.000 4.262 3.910 4.757 0.090 12 0 "[ . 1 . 2]" 1
464 1 21 A H1' 1 21 A H8 5.000 4.000 6.000 3.898 3.839 3.991 0.161 10 0 "[ . 1 . 2]" 1
465 1 20 A H2 1 21 A H1' 5.000 4.000 6.000 5.070 3.987 6.022 0.022 20 0 "[ . 1 . 2]" 1
466 1 21 A H2' 1 21 A H8 4.300 3.300 5.300 3.891 3.186 4.301 0.114 2 0 "[ . 1 . 2]" 1
467 1 21 A H2' 1 22 A H8 3.300 2.600 4.000 3.617 2.741 4.057 0.057 5 0 "[ . 1 . 2]" 1
468 1 21 A H3' 1 21 A H8 3.300 2.600 4.000 2.841 2.580 3.963 0.020 11 0 "[ . 1 . 2]" 1
469 1 21 A H3' 1 22 A H8 5.000 4.000 6.000 5.221 3.995 6.015 0.015 20 0 "[ . 1 . 2]" 1
470 1 21 A H5' 1 21 A H8 5.000 4.000 6.000 4.167 3.955 5.736 0.045 20 0 "[ . 1 . 2]" 1
471 1 21 A H5'' 1 21 A H8 5.000 4.000 6.000 4.976 4.381 5.783 . 0 0 "[ . 1 . 2]" 1
472 1 22 A H1' 1 22 A H2' 3.300 2.600 4.000 2.953 2.665 3.061 . 0 0 "[ . 1 . 2]" 1
473 1 22 A H1' 1 22 A H3' 4.300 3.600 5.000 3.921 3.781 4.153 . 0 0 "[ . 1 . 2]" 1
474 1 22 A H1' 1 22 A H4' 3.300 2.300 4.000 2.843 2.536 4.035 0.035 10 0 "[ . 1 . 2]" 1
475 1 22 A H2' 1 22 A H3' 2.500 . 3.000 2.256 2.200 2.514 . 0 0 "[ . 1 . 2]" 1
476 1 22 A H2' 1 22 A H4' 4.300 3.600 5.000 3.784 3.559 4.189 0.041 15 0 "[ . 1 . 2]" 1
477 1 22 A H3' 1 22 A H4' 3.300 2.600 4.000 2.884 2.668 2.978 . 0 0 "[ . 1 . 2]" 1
478 1 22 A H3' 1 22 A H5' 3.300 2.600 4.000 3.512 2.523 3.933 0.077 20 0 "[ . 1 . 2]" 1
479 1 22 A H3' 1 22 A H5'' 3.300 2.600 4.000 2.681 2.444 3.458 0.156 12 0 "[ . 1 . 2]" 1
480 1 22 A H4' 1 22 A H5' 2.500 . 3.200 2.517 2.387 2.908 . 0 0 "[ . 1 . 2]" 1
481 1 22 A H4' 1 22 A H5'' 2.500 . 3.200 2.613 2.199 3.063 . 0 0 "[ . 1 . 2]" 1
482 1 22 A H3' 1 23 C H5' 3.300 2.300 4.300 3.727 2.255 4.365 0.065 7 0 "[ . 1 . 2]" 1
483 1 22 A H3' 1 23 C H5'' 3.300 2.300 4.300 2.884 2.265 4.114 0.035 20 0 "[ . 1 . 2]" 1
484 1 22 A H3' 1 23 C H4' 4.300 3.600 5.000 4.801 4.084 5.069 0.069 13 0 "[ . 1 . 2]" 1
485 1 22 A H1' 1 22 A H8 4.300 3.600 5.000 3.854 3.623 3.933 . 0 0 "[ . 1 . 2]" 1
486 1 22 A H1' 1 24 A H1' 3.500 2.700 4.300 3.475 2.673 4.381 0.081 5 0 "[ . 1 . 2]" 1
487 1 22 A H1' 1 24 A H8 3.800 2.800 4.800 4.258 3.389 4.872 0.072 5 0 "[ . 1 . 2]" 1
488 1 22 A H2' 1 22 A H8 2.500 . 3.000 2.272 2.196 2.700 . 0 0 "[ . 1 . 2]" 1
489 1 22 A H3' 1 22 A H8 3.300 2.600 4.000 3.776 2.561 4.112 0.112 5 0 "[ . 1 . 2]" 1
490 1 23 C H1' 1 23 C H2' 2.500 . 3.000 2.871 2.753 3.023 0.023 5 0 "[ . 1 . 2]" 1
491 1 23 C H1' 1 23 C H3' 3.300 2.600 4.000 3.862 3.827 3.917 . 0 0 "[ . 1 . 2]" 1
492 1 23 C H1' 1 23 C H4' 3.300 2.600 4.000 3.230 2.948 3.635 . 0 0 "[ . 1 . 2]" 1
493 1 23 C H2' 1 23 C H3' 2.500 . 3.000 2.299 2.197 2.426 . 0 0 "[ . 1 . 2]" 1
494 1 23 C H2' 1 23 C H5' 4.300 3.600 5.000 4.649 3.696 5.387 0.387 12 0 "[ . 1 . 2]" 1
495 1 23 C H3' 1 23 C H5' 3.300 2.600 4.000 3.440 2.467 3.756 0.133 14 0 "[ . 1 . 2]" 1
496 1 23 C H3' 1 23 C H5'' 3.300 2.600 4.000 2.940 2.429 3.761 0.171 7 0 "[ . 1 . 2]" 1
497 1 23 C H4' 1 23 C H5' 2.500 . 3.000 2.547 2.201 3.013 0.013 6 0 "[ . 1 . 2]" 1
498 1 23 C H1' 1 23 C H6 3.300 2.600 4.000 3.691 3.525 3.832 . 0 0 "[ . 1 . 2]" 1
499 1 23 C H2' 1 23 C H6 2.500 . 3.200 2.940 2.192 3.316 0.116 10 0 "[ . 1 . 2]" 1
500 1 23 C H3' 1 23 C H6 3.300 2.600 4.000 3.238 2.521 4.237 0.237 15 0 "[ . 1 . 2]" 1
501 1 23 C H4' 1 23 C H6 5.000 4.000 6.000 4.386 4.057 5.041 . 0 0 "[ . 1 . 2]" 1
502 1 23 C H5' 1 23 C H6 4.300 3.600 5.000 3.803 3.451 4.483 0.149 15 0 "[ . 1 . 2]" 1
503 1 23 C H5'' 1 23 C H6 4.300 3.600 5.000 4.357 3.579 4.944 0.021 10 0 "[ . 1 . 2]" 1
504 1 24 A H1' 1 24 A H2' 2.500 . 3.000 2.758 2.702 2.813 . 0 0 "[ . 1 . 2]" 1
505 1 24 A H1' 1 24 A H3' 3.300 2.600 4.300 3.960 3.897 4.049 . 0 0 "[ . 1 . 2]" 1
506 1 24 A H1' 1 24 A H4' 3.300 2.600 4.000 3.612 3.316 3.841 . 0 0 "[ . 1 . 2]" 1
507 1 24 A H2' 1 24 A H3' 3.000 2.300 3.700 2.283 2.269 2.297 0.031 11 0 "[ . 1 . 2]" 1
508 1 24 A H3' 1 24 A H4' 3.000 2.300 3.700 2.961 2.874 3.004 . 0 0 "[ . 1 . 2]" 1
509 1 24 A H4' 1 24 A H5' 2.500 . 3.000 2.693 2.351 3.025 0.025 2 0 "[ . 1 . 2]" 1
510 1 24 A H4' 1 24 A H5'' 2.500 . 3.000 2.838 2.538 3.031 0.031 17 0 "[ . 1 . 2]" 1
511 1 24 A H1' 1 24 A H8 4.300 3.300 5.000 3.651 3.450 3.750 . 0 0 "[ . 1 . 2]" 1
512 1 24 A H1' 1 25 C H6 4.300 3.300 5.300 5.176 4.968 5.357 0.057 5 0 "[ . 1 . 2]" 1
513 1 22 A H2 1 24 A H1' 3.000 2.300 3.700 3.723 3.397 3.828 0.128 11 0 "[ . 1 . 2]" 1
514 1 24 A H2' 1 24 A H8 5.000 4.000 6.000 4.090 3.972 4.320 0.028 2 0 "[ . 1 . 2]" 1
515 1 24 A H2' 1 25 C H5 5.000 4.000 6.000 4.294 3.949 4.551 0.051 1 0 "[ . 1 . 2]" 1
516 1 24 A H2' 1 25 C H6 3.300 2.600 4.000 2.604 2.512 3.058 0.088 19 0 "[ . 1 . 2]" 1
517 1 24 A H3' 1 24 A H8 4.300 3.600 5.000 3.772 3.563 4.232 0.037 14 0 "[ . 1 . 2]" 1
518 1 24 A H3' 1 25 C H6 4.300 3.600 5.000 3.708 3.531 4.486 0.069 5 0 "[ . 1 . 2]" 1
519 1 24 A H4' 1 24 A H8 5.000 4.000 6.000 4.317 4.126 4.608 . 0 0 "[ . 1 . 2]" 1
520 1 24 A H5' 1 24 A H8 3.300 2.600 4.000 3.549 2.572 4.113 0.113 17 0 "[ . 1 . 2]" 1
521 1 24 A H5'' 1 24 A H8 3.300 2.600 4.000 2.775 2.504 3.856 0.096 17 0 "[ . 1 . 2]" 1
522 1 24 A H2 1 25 C H5 5.000 4.000 6.000 4.081 3.946 4.504 0.054 20 0 "[ . 1 . 2]" 1
523 1 25 C H1' 1 25 C H2' 2.500 . 3.000 2.858 2.784 2.977 . 0 0 "[ . 1 . 2]" 1
524 1 25 C H1' 1 25 C H3' 4.300 3.300 5.300 3.797 3.716 3.899 . 0 0 "[ . 1 . 2]" 1
525 1 25 C H1' 1 25 C H4' 3.300 2.300 4.300 2.796 2.394 3.518 . 0 0 "[ . 1 . 2]" 1
526 1 25 C H2' 1 25 C H3' 2.500 . 3.000 2.352 2.199 2.419 . 0 0 "[ . 1 . 2]" 1
527 1 25 C H2' 1 25 C H4' 4.300 3.300 5.300 3.628 3.542 3.932 . 0 0 "[ . 1 . 2]" 1
528 1 25 C H2' 1 25 C H5' 5.000 4.000 6.000 5.251 3.648 5.462 0.352 15 0 "[ . 1 . 2]" 1
529 1 25 C H2' 1 25 C H5'' 4.300 3.300 5.300 5.157 4.615 5.274 . 0 0 "[ . 1 . 2]" 1
530 1 25 C H3' 1 25 C H5' 4.300 3.600 5.000 3.763 3.388 4.008 0.212 4 0 "[ . 1 . 2]" 1
531 1 25 C H3' 1 25 C H5'' 4.300 3.600 5.000 3.424 3.333 3.663 0.267 4 0 "[ . 1 . 2]" 1
532 1 25 C H4' 1 25 C H5' 2.500 . 3.200 2.569 2.488 2.937 . 0 0 "[ . 1 . 2]" 1
533 1 25 C H4' 1 25 C H5'' 2.500 . 3.200 2.465 2.197 3.080 . 0 0 "[ . 1 . 2]" 1
534 1 25 C H2' 1 26 C H1' 5.000 4.000 6.000 5.107 4.817 6.175 0.175 15 0 "[ . 1 . 2]" 1
535 1 25 C H1' 1 25 C H6 4.300 3.600 5.000 3.748 3.429 3.842 0.171 15 0 "[ . 1 . 2]" 1
536 1 25 C H2' 1 25 C H6 5.000 4.000 6.000 3.849 3.785 4.051 0.215 3 0 "[ . 1 . 2]" 1
537 1 25 C H2' 1 26 C H5 4.300 3.600 5.000 3.675 3.342 4.472 0.258 15 0 "[ . 1 . 2]" 1
538 1 25 C H2' 1 26 C H6 2.500 . 3.200 2.269 2.198 2.809 . 0 0 "[ . 1 . 2]" 1
539 1 25 C H3' 1 25 C H6 3.300 2.300 4.800 3.422 2.701 5.047 0.247 15 0 "[ . 1 . 2]" 1
540 1 25 C H3' 1 26 C H5 5.000 4.000 6.000 3.882 3.761 5.149 0.239 6 0 "[ . 1 . 2]" 1
541 1 25 C H3' 1 26 C H6 3.300 2.600 4.000 3.502 2.670 4.221 0.221 15 0 "[ . 1 . 2]" 1
542 1 25 C H4' 1 26 C H6 4.300 3.300 5.300 5.478 5.352 5.565 0.265 19 0 "[ . 1 . 2]" 1
543 1 25 C H5 1 26 C H5 5.000 3.500 6.500 4.772 3.479 6.723 0.223 15 0 "[ . 1 . 2]" 1
544 1 25 C H6 1 26 C H5 5.000 3.500 6.500 4.649 3.636 6.301 . 0 0 "[ . 1 . 2]" 1
545 1 26 C H1' 1 26 C H2' 2.500 . 3.000 2.804 2.757 2.876 . 0 0 "[ . 1 . 2]" 1
546 1 26 C H1' 1 26 C H3' 4.300 3.300 5.300 3.962 3.882 4.036 . 0 0 "[ . 1 . 2]" 1
547 1 26 C H1' 1 26 C H4' 3.300 2.600 4.000 3.588 3.303 3.826 . 0 0 "[ . 1 . 2]" 1
548 1 26 C H2' 1 26 C H3' 3.000 2.300 3.700 2.292 2.269 2.312 0.031 16 0 "[ . 1 . 2]" 1
549 1 26 C H1' 1 26 C H6 5.000 4.000 6.000 3.747 3.690 3.784 0.310 15 0 "[ . 1 . 2]" 1
550 1 26 C H2' 1 26 C H6 4.300 3.300 5.300 3.936 3.774 4.165 . 0 0 "[ . 1 . 2]" 1
551 1 26 C H2' 1 27 G H8 2.500 . 3.200 2.542 2.201 3.217 0.017 3 0 "[ . 1 . 2]" 1
552 1 26 C H3' 1 26 C H5 5.000 3.500 6.500 4.835 4.408 5.484 . 0 0 "[ . 1 . 2]" 1
553 1 26 C H3' 1 26 C H6 3.000 2.200 3.800 3.290 2.885 3.750 . 0 0 "[ . 1 . 2]" 1
554 1 26 C H3' 1 27 G H8 3.500 2.500 4.500 2.485 2.379 3.234 0.121 18 0 "[ . 1 . 2]" 1
555 1 27 G H1' 1 27 G H2' 2.500 . 3.000 2.837 2.797 2.914 . 0 0 "[ . 1 . 2]" 1
556 1 27 G H1' 1 27 G H4' 3.300 2.600 4.000 3.073 2.677 3.284 . 0 0 "[ . 1 . 2]" 1
557 1 27 G H2' 1 27 G H4' 4.300 3.600 5.000 3.745 3.586 3.806 0.014 19 0 "[ . 1 . 2]" 1
558 1 27 G H3' 1 27 G H4' 2.500 . 3.000 3.040 3.003 3.051 0.051 4 0 "[ . 1 . 2]" 1
559 1 27 G H3' 1 27 G H5' 4.000 3.300 4.700 3.804 3.710 3.863 . 0 0 "[ . 1 . 2]" 1
560 1 27 G H3' 1 27 G H5'' 4.000 3.300 4.700 3.177 3.121 3.275 0.179 4 0 "[ . 1 . 2]" 1
561 1 27 G H2' 1 27 G H3' 3.500 . 5.000 2.356 2.268 2.457 . 0 0 "[ . 1 . 2]" 1
562 1 27 G H1' 1 27 G H8 5.000 4.000 6.000 3.772 3.740 3.789 0.260 10 0 "[ . 1 . 2]" 1
563 1 27 G H2' 1 28 G H8 3.000 . 4.000 2.349 2.201 4.005 0.005 4 0 "[ . 1 . 2]" 1
564 1 27 G H5' 1 27 G H8 5.000 4.000 6.000 4.220 3.970 4.660 0.030 11 0 "[ . 1 . 2]" 1
565 1 27 G H5'' 1 27 G H8 5.500 4.000 7.000 4.959 4.365 5.724 . 0 0 "[ . 1 . 2]" 1
566 1 28 G H1' 1 28 G H2' 2.500 . 3.300 2.898 2.733 3.077 . 0 0 "[ . 1 . 2]" 1
567 1 28 G H1' 1 28 G H3' 4.300 3.600 5.000 3.847 3.812 3.877 . 0 0 "[ . 1 . 2]" 1
568 1 28 G H1' 1 28 G H4' 3.300 2.600 4.000 2.778 2.524 3.389 0.076 19 0 "[ . 1 . 2]" 1
569 1 28 G H2' 1 28 G H3' 3.000 . 4.000 2.328 2.293 2.385 . 0 0 "[ . 1 . 2]" 1
570 1 28 G H2' 1 28 G H4' 4.000 3.000 5.000 3.841 3.804 3.913 . 0 0 "[ . 1 . 2]" 1
571 1 28 G H3' 1 28 G H4' 2.700 . 3.400 3.023 3.001 3.037 . 0 0 "[ . 1 . 2]" 1
572 1 28 G H4' 1 28 G H5' 2.700 . 3.400 2.357 2.293 2.846 . 0 0 "[ . 1 . 2]" 1
573 1 28 G H4' 1 28 G H5'' 2.700 . 3.400 2.565 2.500 2.861 . 0 0 "[ . 1 . 2]" 1
574 1 28 G H1' 1 28 G H8 5.000 4.000 6.000 3.778 3.604 3.853 0.396 19 0 "[ . 1 . 2]" 1
575 1 28 G H3' 1 28 G H8 4.300 3.300 5.300 4.460 3.307 4.951 . 0 0 "[ . 1 . 2]" 1
576 1 28 G H5' 1 28 G H8 5.000 4.000 6.000 4.702 3.925 5.149 0.075 10 0 "[ . 1 . 2]" 1
577 1 28 G H5'' 1 28 G H8 5.000 4.000 6.000 5.380 3.971 6.003 0.029 4 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 92
_Distance_constraint_stats_list.Viol_count 186
_Distance_constraint_stats_list.Viol_total 282.757
_Distance_constraint_stats_list.Viol_max 0.247
_Distance_constraint_stats_list.Viol_rms 0.0320
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0077
_Distance_constraint_stats_list.Viol_average_violations_only 0.0760
_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 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 G 0.918 0.090 12 0 "[ . 1 . 2]"
1 5 G 1.085 0.120 15 0 "[ . 1 . 2]"
1 6 CH 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 G 1.021 0.210 15 0 "[ . 1 . 2]"
1 12 C 5.687 0.247 15 0 "[ . 1 . 2]"
1 13 C 3.212 0.237 18 0 "[ . 1 . 2]"
1 14 A 1.036 0.090 12 0 "[ . 1 . 2]"
1 15 C 0.254 0.046 9 0 "[ . 1 . 2]"
1 16 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 A 0.071 0.041 8 0 "[ . 1 . 2]"
1 19 A 0.605 0.087 2 0 "[ . 1 . 2]"
1 20 A 4.514 0.214 17 0 "[ . 1 . 2]"
1 21 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 A 0.324 0.050 16 0 "[ . 1 . 2]"
1 24 A 0.061 0.018 7 0 "[ . 1 . 2]"
1 25 C 4.887 0.247 15 0 "[ . 1 . 2]"
1 26 C 0.465 0.051 13 0 "[ . 1 . 2]"
1 27 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 G 0.000 0.000 . 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 4 G N2 1 5 G H1' 4.000 3.300 4.700 3.578 3.265 3.916 0.035 15 0 "[ . 1 . 2]" 2
2 1 4 G N2 1 14 A H1' 4.000 3.300 4.700 3.586 3.210 4.742 0.090 12 0 "[ . 1 . 2]" 2
3 1 5 G N2 1 13 C H1' 5.000 4.000 6.000 4.957 4.182 5.751 . 0 0 "[ . 1 . 2]" 2
4 1 6 CH H41 1 12 C N4 5.000 3.500 6.500 4.188 3.887 4.468 . 0 0 "[ . 1 . 2]" 2
5 1 6 CH H42 1 12 C N4 5.000 3.500 6.500 3.835 3.639 4.090 . 0 0 "[ . 1 . 2]" 2
6 1 12 C N4 1 13 C H42 5.000 3.500 6.500 3.339 3.263 3.455 0.237 18 0 "[ . 1 . 2]" 2
7 1 12 C N4 1 13 C H41 5.000 3.500 6.500 4.075 3.853 4.213 . 0 0 "[ . 1 . 2]" 2
8 1 14 A H2 1 19 A N6 5.000 4.000 6.000 4.304 3.913 4.945 0.087 2 0 "[ . 1 . 2]" 2
9 1 15 C H1' 1 19 A N6 3.700 2.900 4.500 4.191 3.208 4.546 0.046 9 0 "[ . 1 . 2]" 2
10 1 18 A H2 1 19 A N6 3.200 2.400 4.000 3.052 2.359 4.025 0.041 8 0 "[ . 1 . 2]" 2
11 1 4 G H22 1 20 A N6 4.300 2.800 5.800 4.813 3.576 5.455 . 0 0 "[ . 1 . 2]" 2
12 1 4 G H21 1 20 A N6 4.300 2.800 5.800 5.624 4.721 5.843 0.043 8 0 "[ . 1 . 2]" 2
13 1 14 A H1' 1 20 A N6 3.700 2.700 4.700 4.211 3.171 4.734 0.034 3 0 "[ . 1 . 2]" 2
14 1 14 A H2 1 20 A N6 3.500 . 5.000 2.537 2.302 3.171 . 0 0 "[ . 1 . 2]" 2
15 1 20 A H2 1 20 A N6 3.000 . 4.000 4.207 4.184 4.214 0.214 17 0 "[ . 1 . 2]" 2
16 1 4 G H22 1 22 A N6 4.300 2.800 5.800 3.184 2.795 3.941 0.005 16 0 "[ . 1 . 2]" 2
17 1 4 G H21 1 22 A N6 4.300 2.800 5.800 3.094 2.763 3.919 0.037 4 0 "[ . 1 . 2]" 2
18 1 5 G H1' 1 22 A N6 5.000 3.500 7.000 5.939 4.847 6.854 . 0 0 "[ . 1 . 2]" 2
19 1 13 C H1' 1 22 A N6 4.300 2.800 5.800 3.691 3.200 4.378 . 0 0 "[ . 1 . 2]" 2
20 1 14 A H1' 1 22 A N6 4.300 2.800 5.800 3.155 2.750 4.162 0.050 16 0 "[ . 1 . 2]" 2
21 1 21 A H2 1 22 A N6 3.300 2.300 4.300 3.040 2.515 3.726 . 0 0 "[ . 1 . 2]" 2
22 1 5 G H1' 1 24 A N6 3.500 2.500 4.500 4.147 3.332 4.518 0.018 7 0 "[ . 1 . 2]" 2
23 1 5 G H22 1 25 C N4 4.000 3.000 5.000 3.412 2.985 5.120 0.120 15 0 "[ . 1 . 2]" 2
24 1 5 G H21 1 25 C N4 4.000 3.000 5.000 3.195 2.914 5.022 0.086 20 0 "[ . 1 . 2]" 2
25 1 12 C H1' 1 25 C N4 5.000 4.000 6.000 4.098 3.893 4.422 0.107 7 0 "[ . 1 . 2]" 2
26 1 24 A H2 1 25 C N4 4.000 3.000 5.000 3.802 3.273 4.272 . 0 0 "[ . 1 . 2]" 2
27 1 25 C N4 1 26 C H5 5.000 4.000 6.000 5.898 4.668 6.051 0.051 13 0 "[ . 1 . 2]" 2
28 1 12 C HO2' 1 25 C N4 3.800 3.000 4.600 2.922 2.753 3.648 0.247 15 0 "[ . 1 . 2]" 2
29 1 10 G H1 1 25 C N4 5.000 4.000 6.000 6.034 5.829 6.210 0.210 15 0 "[ . 1 . 2]" 2
30 1 1 A N1 1 16 U H3 1.850 . 2.150 1.832 1.828 1.837 . 0 0 "[ . 1 . 2]" 2
31 1 1 A N1 1 16 U N3 2.820 2.620 3.020 2.830 2.823 2.837 . 0 0 "[ . 1 . 2]" 2
32 1 1 A H61 1 16 U O4 1.850 . 2.150 1.891 1.881 1.902 . 0 0 "[ . 1 . 2]" 2
33 1 1 A N6 1 16 U O4 2.950 2.750 3.150 2.927 2.911 2.944 . 0 0 "[ . 1 . 2]" 2
34 1 1 A N1 1 16 U O4 3.630 3.430 3.830 3.634 3.623 3.643 . 0 0 "[ . 1 . 2]" 2
35 1 1 A N6 1 16 U O2 5.400 5.200 5.600 5.405 5.386 5.409 . 0 0 "[ . 1 . 2]" 2
36 1 2 G O6 1 15 C H41 1.850 . 2.150 1.879 1.874 1.884 . 0 0 "[ . 1 . 2]" 2
37 1 2 G O6 1 15 C N4 2.910 2.710 3.110 2.902 2.893 2.909 . 0 0 "[ . 1 . 2]" 2
38 1 2 G H1 1 15 C N3 1.850 . 2.150 1.879 1.863 1.884 . 0 0 "[ . 1 . 2]" 2
39 1 2 G N1 1 15 C N3 2.950 2.750 3.150 2.930 2.914 2.935 . 0 0 "[ . 1 . 2]" 2
40 1 2 G H21 1 15 C O2 1.850 . 2.150 1.838 1.828 1.845 . 0 0 "[ . 1 . 2]" 2
41 1 2 G N2 1 15 C O2 2.860 2.660 3.060 2.838 2.823 2.848 . 0 0 "[ . 1 . 2]" 2
42 1 2 G N2 1 15 C N3 3.650 3.450 3.850 3.640 3.635 3.651 . 0 0 "[ . 1 . 2]" 2
43 1 2 G O6 1 15 C O2 5.420 5.220 5.620 5.428 5.414 5.431 . 0 0 "[ . 1 . 2]" 2
44 1 3 U H3 1 14 A N1 1.850 . 2.150 1.828 1.816 1.855 . 0 0 "[ . 1 . 2]" 2
45 1 3 U N3 1 14 A N1 2.820 2.620 3.020 2.831 2.819 2.843 . 0 0 "[ . 1 . 2]" 2
46 1 3 U O4 1 14 A H61 1.850 . 2.150 1.887 1.874 1.895 . 0 0 "[ . 1 . 2]" 2
47 1 3 U O4 1 14 A N6 2.950 2.750 3.150 2.920 2.900 2.933 . 0 0 "[ . 1 . 2]" 2
48 1 3 U O4 1 14 A N1 3.630 3.430 3.830 3.624 3.617 3.636 . 0 0 "[ . 1 . 2]" 2
49 1 3 U O2 1 14 A N6 5.400 5.200 5.600 5.412 5.404 5.424 . 0 0 "[ . 1 . 2]" 2
50 1 4 G O6 1 13 C H41 1.850 . 2.150 1.865 1.855 1.872 . 0 0 "[ . 1 . 2]" 2
51 1 4 G O6 1 13 C N4 2.910 2.710 3.110 2.885 2.869 2.895 . 0 0 "[ . 1 . 2]" 2
52 1 4 G H1 1 13 C N3 1.850 . 2.150 1.897 1.892 1.904 . 0 0 "[ . 1 . 2]" 2
53 1 4 G N1 1 13 C N3 2.950 2.750 3.150 2.938 2.931 2.943 . 0 0 "[ . 1 . 2]" 2
54 1 4 G H21 1 13 C O2 1.850 . 2.150 1.860 1.852 1.869 . 0 0 "[ . 1 . 2]" 2
55 1 4 G N2 1 13 C O2 2.860 2.660 3.060 2.870 2.856 2.884 . 0 0 "[ . 1 . 2]" 2
56 1 4 G N2 1 13 C N3 3.650 3.450 3.850 3.632 3.626 3.637 . 0 0 "[ . 1 . 2]" 2
57 1 4 G O6 1 13 C O2 5.420 5.220 5.620 5.426 5.417 5.431 . 0 0 "[ . 1 . 2]" 2
58 1 5 G O6 1 12 C H41 1.850 . 2.150 1.890 1.880 1.906 . 0 0 "[ . 1 . 2]" 2
59 1 5 G O6 1 12 C N4 2.910 2.710 3.110 2.901 2.895 2.910 . 0 0 "[ . 1 . 2]" 2
60 1 5 G H1 1 12 C N3 1.850 . 2.150 1.870 1.852 1.883 . 0 0 "[ . 1 . 2]" 2
61 1 5 G N1 1 12 C N3 2.950 2.750 3.150 2.931 2.921 2.938 . 0 0 "[ . 1 . 2]" 2
62 1 5 G H21 1 12 C O2 1.850 . 2.150 1.848 1.836 1.854 . 0 0 "[ . 1 . 2]" 2
63 1 5 G N2 1 12 C O2 2.860 2.660 3.060 2.849 2.837 2.856 . 0 0 "[ . 1 . 2]" 2
64 1 5 G N2 1 12 C N3 3.650 3.450 3.850 3.634 3.628 3.641 . 0 0 "[ . 1 . 2]" 2
65 1 5 G O6 1 12 C O2 5.420 5.220 5.620 5.425 5.417 5.430 . 0 0 "[ . 1 . 2]" 2
66 1 8 C H41 1 28 G O6 1.850 . 2.150 1.870 1.858 1.876 . 0 0 "[ . 1 . 2]" 2
67 1 8 C N4 1 28 G O6 2.910 2.710 3.110 2.892 2.874 2.901 . 0 0 "[ . 1 . 2]" 2
68 1 8 C N3 1 28 G H1 1.850 . 2.150 1.894 1.892 1.897 . 0 0 "[ . 1 . 2]" 2
69 1 8 C N3 1 28 G N1 2.950 2.750 3.150 2.932 2.930 2.937 . 0 0 "[ . 1 . 2]" 2
70 1 8 C O2 1 28 G H21 1.850 . 2.150 1.857 1.854 1.869 . 0 0 "[ . 1 . 2]" 2
71 1 8 C O2 1 28 G N2 2.860 2.660 3.060 2.866 2.862 2.884 . 0 0 "[ . 1 . 2]" 2
72 1 8 C N3 1 28 G N2 3.650 3.450 3.850 3.646 3.637 3.649 . 0 0 "[ . 1 . 2]" 2
73 1 8 C O2 1 28 G O6 5.420 5.220 5.620 5.416 5.412 5.424 . 0 0 "[ . 1 . 2]" 2
74 1 9 C H41 1 27 G O6 1.850 . 2.150 1.871 1.866 1.873 . 0 0 "[ . 1 . 2]" 2
75 1 9 C N4 1 27 G O6 2.910 2.710 3.110 2.875 2.867 2.879 . 0 0 "[ . 1 . 2]" 2
76 1 9 C N3 1 27 G H1 1.850 . 2.150 1.881 1.878 1.883 . 0 0 "[ . 1 . 2]" 2
77 1 9 C N3 1 27 G N1 2.950 2.750 3.150 2.940 2.936 2.942 . 0 0 "[ . 1 . 2]" 2
78 1 9 C O2 1 27 G H21 1.850 . 2.150 1.850 1.847 1.855 . 0 0 "[ . 1 . 2]" 2
79 1 9 C O2 1 27 G N2 2.860 2.660 3.060 2.858 2.853 2.866 . 0 0 "[ . 1 . 2]" 2
80 1 9 C N3 1 27 G N2 3.650 3.450 3.850 3.629 3.626 3.631 . 0 0 "[ . 1 . 2]" 2
81 1 9 C O2 1 27 G O6 5.420 5.220 5.620 5.443 5.440 5.446 . 0 0 "[ . 1 . 2]" 2
82 1 10 G O6 1 26 C H41 1.850 . 2.150 1.893 1.883 1.905 . 0 0 "[ . 1 . 2]" 2
83 1 10 G O6 1 26 C N4 2.910 2.710 3.110 2.872 2.862 2.883 . 0 0 "[ . 1 . 2]" 2
84 1 10 G H1 1 26 C N3 1.850 . 2.150 1.921 1.909 1.961 . 0 0 "[ . 1 . 2]" 2
85 1 10 G N1 1 26 C N3 2.950 2.750 3.150 2.928 2.912 2.940 . 0 0 "[ . 1 . 2]" 2
86 1 10 G H21 1 26 C O2 1.850 . 2.150 1.867 1.859 1.875 . 0 0 "[ . 1 . 2]" 2
87 1 10 G N2 1 26 C O2 2.860 2.660 3.060 2.883 2.869 2.890 . 0 0 "[ . 1 . 2]" 2
88 1 10 G N2 1 26 C N3 3.650 3.450 3.850 3.628 3.619 3.637 . 0 0 "[ . 1 . 2]" 2
89 1 10 G O6 1 26 C O2 5.420 5.220 5.620 5.401 5.395 5.411 . 0 0 "[ . 1 . 2]" 2
90 1 6 CH N3 1 10 G O6 2.900 2.800 3.000 2.878 2.855 2.910 . 0 0 "[ . 1 . 2]" 2
91 1 6 CH N4 1 10 G N7 2.900 2.800 3.000 2.854 2.836 2.875 . 0 0 "[ . 1 . 2]" 2
92 1 6 CH H42 1 10 G N7 2.000 . 2.300 2.153 2.134 2.178 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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