NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
606337 |
2nc1   |
26000 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2nc1
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 501
_Distance_constraint_stats_list.Viol_count 1808
_Distance_constraint_stats_list.Viol_total 15977.540
_Distance_constraint_stats_list.Viol_max 2.558
_Distance_constraint_stats_list.Viol_rms 0.5683
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3189
_Distance_constraint_stats_list.Viol_average_violations_only 0.8837
_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 26.670 1.589 9 10 [*******-+*]
1 2 G 40.254 1.981 3 10 [**+******-]
1 3 G 42.807 1.981 3 10 [**+******-]
1 4 G 40.929 1.979 5 10 [****+*****]
1 5 C 40.695 2.176 3 10 [**+*-*****]
1 6 U 41.974 2.176 3 10 [**+****-**]
1 7 G 48.445 2.162 5 10 [-***+*****]
1 8 A 34.722 2.162 5 10 [****+**-**]
1 9 A 30.806 2.300 5 10 [***-+*****]
1 10 G 50.294 2.300 5 10 [****+***-*]
1 11 G 44.920 2.059 5 10 [****+****-]
1 12 A 44.388 2.059 5 10 [****+***-*]
1 13 U 40.389 1.991 5 10 [****+*****]
1 14 G 28.033 1.991 5 10 [*-**+*****]
1 15 C 20.669 1.208 5 10 [****+*****]
1 16 C 35.316 1.974 2 10 [*+**-*****]
1 17 C 40.310 1.974 2 10 [*+*****-**]
1 18 A 41.674 2.023 9 10 [******-*+*]
1 19 G 42.110 2.146 6 10 [-****+****]
1 20 A 48.492 2.407 5 10 [*-**+*****]
1 21 G 38.440 2.407 5 10 [****+****-]
1 22 A 32.875 2.244 8 10 [-******+**]
1 23 G 56.137 2.244 8 10 [******-+**]
1 24 A 59.713 2.299 5 10 [****+*-***]
1 25 U 50.912 2.299 5 10 [***-+*****]
1 26 C 38.214 2.008 5 10 [****+*****]
1 27 U 38.447 2.224 5 10 [****+****-]
1 28 G 59.271 2.224 5 10 [****+*****]
1 29 G 59.112 2.399 3 10 [**+***-***]
1 30 G 27.576 2.399 3 10 [**+*-*****]
1 31 G 11.989 1.330 7 10 [***-**+***]
1 32 C 23.062 1.681 1 10 [+***-*****]
1 33 C 33.614 1.822 1 10 [+-********]
1 34 U 33.297 1.869 8 10 [*-*****+**]
1 35 C 34.683 2.014 5 10 [****+*-***]
1 36 G 44.147 2.268 2 10 [*+********]
1 37 G 51.070 2.344 8 10 [-******+**]
1 38 G 34.346 2.344 8 10 [*-*****+**]
1 39 A 32.810 2.558 4 10 [***+*-****]
1 40 G 57.607 2.558 4 10 [***+**-***]
1 41 A 61.012 2.027 3 10 [**+***-***]
1 42 U 51.574 2.027 3 10 [**+******-]
1 43 C 33.160 1.960 5 10 [****+****-]
1 44 G 40.140 2.279 2 10 [-+********]
1 45 A 46.399 2.342 6 10 [*****+****]
1 46 G 35.124 2.342 6 10 [*****+***-]
1 47 G 34.138 1.255 2 10 [*+*******-]
1 48 U 17.163 0.911 10 10 [**-******+]
1 50 A 20.681 1.483 10 10 [******-**+]
1 51 A 22.557 1.561 6 10 [****-+****]
1 52 A 15.661 1.576 9 10 [******-*+*]
1 53 A 16.684 1.665 9 10 [**-*****+*]
1 54 A 15.511 1.551 4 10 [***+*****-]
1 55 A 17.917 1.330 7 10 [***-**+***]
1 56 C 0.000 0.000 . 0 "[ . 1]"
1 57 G 31.726 2.184 3 10 [**+*****-*]
1 58 U 41.618 2.184 3 10 [**+****-**]
1 59 C 41.180 1.962 8 10 [*******+*-]
1 60 U 27.657 1.770 10 10 [******-**+]
1 61 A 19.390 1.070 10 10 [-********+]
1 62 G 31.157 1.920 6 10 [*****+-***]
1 63 G 46.355 1.920 6 10 [*****+**-*]
1 64 C 41.183 1.954 6 10 [*****+*-**]
1 65 C 37.988 1.954 6 10 [*****+*-**]
1 66 C 35.525 1.948 6 10 [*****+-***]
1 67 C 24.541 1.948 6 10 [*****+-***]
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 H8 1 1 G HO2' 3.000 . 4.000 5.438 5.331 5.589 1.589 9 10 [***-****+*] 1
2 1 1 G H3' 1 1 G H8 2.000 . 3.000 2.946 2.937 2.952 . 0 0 "[ . 1]" 1
3 1 1 G H3' 1 1 G H5'' 2.300 . 3.300 3.000 2.999 3.002 . 0 0 "[ . 1]" 1
4 1 1 G H4' 1 1 G H5' 1.700 . 2.700 2.475 2.473 2.477 . 0 0 "[ . 1]" 1
5 1 1 G H4' 1 1 G H5'' 1.700 . 2.700 2.357 2.356 2.360 . 0 0 "[ . 1]" 1
6 1 1 G H8 1 2 G H8 4.000 . 5.000 4.858 4.850 4.869 . 0 0 "[ . 1]" 1
7 1 1 G HO2' 1 2 G H8 1.700 . 2.700 3.929 3.688 4.111 1.411 4 10 [***+***-**] 1
8 1 1 G H3' 1 2 G H8 2.300 . 3.300 3.149 3.132 3.162 . 0 0 "[ . 1]" 1
9 1 2 G H8 1 2 G HO2' 3.000 . 4.000 5.299 5.070 5.602 1.602 10 10 [**-******+] 1
10 1 2 G H3' 1 2 G H8 2.000 . 3.000 3.008 3.002 3.013 0.013 5 0 "[ . 1]" 1
11 1 2 G H3' 1 2 G H5'' 2.300 . 3.300 3.054 3.051 3.055 . 0 0 "[ . 1]" 1
12 1 2 G H4' 1 2 G H5' 1.700 . 2.700 2.493 2.491 2.494 . 0 0 "[ . 1]" 1
13 1 2 G H4' 1 2 G H5'' 1.700 . 2.700 2.357 2.356 2.358 . 0 0 "[ . 1]" 1
14 1 2 G H8 1 3 G H8 4.000 . 5.000 4.812 4.805 4.821 . 0 0 "[ . 1]" 1
15 1 2 G HO2' 1 3 G H8 1.700 . 2.700 4.190 3.612 4.681 1.981 3 10 [**+******-] 1
16 1 2 G H3' 1 3 G H8 2.300 . 3.300 3.182 3.172 3.195 . 0 0 "[ . 1]" 1
17 1 3 G H8 1 3 G HO2' 3.000 . 4.000 5.328 5.096 5.578 1.578 4 10 [***+*****-] 1
18 1 3 G H3' 1 3 G H8 2.000 . 3.000 3.029 3.024 3.033 0.033 9 0 "[ . 1]" 1
19 1 3 G H3' 1 3 G H5'' 2.300 . 3.300 3.057 3.053 3.060 . 0 0 "[ . 1]" 1
20 1 3 G H4' 1 3 G H5' 1.700 . 2.700 2.490 2.489 2.492 . 0 0 "[ . 1]" 1
21 1 3 G H4' 1 3 G H5'' 1.700 . 2.700 2.358 2.356 2.360 . 0 0 "[ . 1]" 1
22 1 3 G H8 1 4 G H8 4.000 . 5.000 4.737 4.711 4.760 . 0 0 "[ . 1]" 1
23 1 3 G HO2' 1 4 G H8 1.700 . 2.700 4.134 3.664 4.679 1.979 5 10 [***-+*****] 1
24 1 3 G H3' 1 4 G H8 2.300 . 3.300 3.149 3.131 3.177 . 0 0 "[ . 1]" 1
25 1 4 G H8 1 4 G HO2' 3.000 . 4.000 5.464 5.116 5.653 1.653 4 10 [-**+******] 1
26 1 4 G H3' 1 4 G H8 2.000 . 3.000 3.048 3.032 3.061 0.061 10 0 "[ . 1]" 1
27 1 4 G H3' 1 4 G H5'' 2.300 . 3.300 3.055 3.048 3.063 . 0 0 "[ . 1]" 1
28 1 4 G H4' 1 4 G H5' 1.700 . 2.700 2.477 2.476 2.479 . 0 0 "[ . 1]" 1
29 1 4 G H4' 1 4 G H5'' 1.700 . 2.700 2.368 2.364 2.370 . 0 0 "[ . 1]" 1
30 1 4 G H8 1 5 C H6 4.000 . 5.000 4.921 4.898 4.932 . 0 0 "[ . 1]" 1
31 1 4 G HO2' 1 5 C H6 1.700 . 2.700 3.847 3.470 4.576 1.876 1 10 [+***-*****] 1
32 1 4 G H3' 1 5 C H6 2.300 . 3.300 3.125 3.116 3.145 . 0 0 "[ . 1]" 1
33 1 5 C H6 1 5 C HO2' 3.000 . 4.000 5.093 4.860 5.378 1.378 5 10 [***-+*****] 1
34 1 5 C H3' 1 5 C H6 2.000 . 3.000 2.794 2.759 2.809 . 0 0 "[ . 1]" 1
35 1 5 C H3' 1 5 C H5'' 2.300 . 3.300 3.037 3.025 3.046 . 0 0 "[ . 1]" 1
36 1 5 C H4' 1 5 C H5' 1.700 . 2.700 2.470 2.468 2.475 . 0 0 "[ . 1]" 1
37 1 5 C H4' 1 5 C H5'' 1.700 . 2.700 2.383 2.381 2.385 . 0 0 "[ . 1]" 1
38 1 5 C H6 1 6 U H5 4.000 . 5.000 4.384 4.353 4.404 . 0 0 "[ . 1]" 1
39 1 5 C H6 1 6 U H6 4.000 . 5.000 4.858 4.824 4.875 . 0 0 "[ . 1]" 1
40 1 5 C HO2' 1 6 U H6 1.700 . 2.700 4.529 3.933 4.876 2.176 3 10 [**+*-*****] 1
41 1 5 C H3' 1 6 U H6 2.300 . 3.300 3.156 3.146 3.169 . 0 0 "[ . 1]" 1
42 1 6 U H6 1 6 U HO2' 3.000 . 4.000 5.006 4.756 5.217 1.217 8 10 [-******+**] 1
43 1 6 U H3' 1 6 U H6 2.000 . 3.000 2.669 2.651 2.703 . 0 0 "[ . 1]" 1
44 1 6 U H3' 1 6 U H5'' 2.300 . 3.300 3.025 3.009 3.036 . 0 0 "[ . 1]" 1
45 1 6 U H4' 1 6 U H5' 1.700 . 2.700 2.465 2.455 2.473 . 0 0 "[ . 1]" 1
46 1 6 U H4' 1 6 U H5'' 1.700 . 2.700 2.384 2.377 2.396 . 0 0 "[ . 1]" 1
47 1 6 U H6 1 7 G H8 4.000 . 5.000 5.343 5.321 5.363 0.363 2 0 "[ . 1]" 1
48 1 6 U HO2' 1 7 G H8 2.300 . 3.300 4.319 3.924 4.736 1.436 1 10 [+******-**] 1
49 1 6 U H3' 1 7 G H8 4.000 . 5.000 3.399 3.382 3.417 . 0 0 "[ . 1]" 1
50 1 7 G H8 1 7 G HO2' 3.000 . 4.000 5.318 4.967 5.495 1.495 4 10 [**-+******] 1
51 1 7 G H3' 1 7 G H8 2.000 . 3.000 2.866 2.858 2.879 . 0 0 "[ . 1]" 1
52 1 7 G H3' 1 7 G H5'' 2.300 . 3.300 2.919 2.913 2.926 . 0 0 "[ . 1]" 1
53 1 7 G H4' 1 7 G H5' 1.700 . 2.700 2.449 2.443 2.453 . 0 0 "[ . 1]" 1
54 1 7 G H4' 1 7 G H5'' 1.700 . 2.700 2.400 2.396 2.403 . 0 0 "[ . 1]" 1
55 1 7 G H8 1 8 A H8 4.000 . 5.000 5.151 5.129 5.183 0.183 7 0 "[ . 1]" 1
56 1 7 G HO2' 1 8 A H8 1.700 . 2.700 4.253 3.949 4.862 2.162 5 10 [****+**-**] 1
57 1 7 G H3' 1 8 A H8 2.300 . 3.300 3.262 3.250 3.276 . 0 0 "[ . 1]" 1
58 1 8 A H8 1 8 A HO2' 3.000 . 4.000 5.492 5.259 5.634 1.634 4 10 [**-+******] 1
59 1 8 A H3' 1 8 A H8 2.000 . 3.000 3.201 3.177 3.219 0.219 6 0 "[ . 1]" 1
60 1 8 A H2 1 61 A H8 4.500 3.500 5.500 5.575 5.519 5.607 0.107 1 0 "[ . 1]" 1
61 1 9 A H8 1 9 A HO2' 3.000 . 4.000 4.952 4.853 5.154 1.154 8 10 [***-***+**] 1
62 1 9 A H3' 1 9 A H8 2.000 . 3.000 2.161 2.118 2.206 . 0 0 "[ . 1]" 1
63 1 9 A H2 1 63 G H1' 4.000 2.500 5.500 3.475 3.401 3.534 . 0 0 "[ . 1]" 1
64 1 9 A H2 1 63 G HO2' 4.000 2.500 5.500 4.340 4.205 4.788 . 0 0 "[ . 1]" 1
65 1 9 A H2 1 62 G HO2' 5.000 3.500 6.500 4.619 3.384 5.317 0.116 9 0 "[ . 1]" 1
66 1 9 A H2 1 10 G H1' 4.000 3.000 5.000 5.029 4.994 5.076 0.076 3 0 "[ . 1]" 1
67 1 9 A H8 1 10 G H8 4.000 . 5.000 3.109 3.055 3.179 . 0 0 "[ . 1]" 1
68 1 9 A HO2' 1 10 G H8 1.700 . 2.700 4.777 4.346 5.000 2.300 5 10 [****+**-**] 1
69 1 9 A H3' 1 10 G H8 2.300 . 3.300 2.647 2.575 2.685 . 0 0 "[ . 1]" 1
70 1 10 G H8 1 10 G HO2' 3.000 . 4.000 5.376 5.319 5.503 1.503 9 10 [******-*+*] 1
71 1 10 G H3' 1 10 G H8 2.000 . 3.000 3.020 2.996 3.036 0.036 10 0 "[ . 1]" 1
72 1 10 G H3' 1 10 G H5'' 2.300 . 3.300 3.039 3.034 3.045 . 0 0 "[ . 1]" 1
73 1 10 G H4' 1 10 G H5' 1.700 . 2.700 2.484 2.479 2.488 . 0 0 "[ . 1]" 1
74 1 10 G H4' 1 10 G H5'' 1.700 . 2.700 2.373 2.369 2.378 . 0 0 "[ . 1]" 1
75 1 10 G H8 1 11 G H8 4.000 . 5.000 4.481 4.459 4.527 . 0 0 "[ . 1]" 1
76 1 10 G HO2' 1 11 G H8 1.700 . 2.700 4.227 3.976 4.332 1.632 2 10 [*+******-*] 1
77 1 10 G H3' 1 11 G H8 2.300 . 3.300 3.064 3.011 3.106 . 0 0 "[ . 1]" 1
78 1 11 G H8 1 11 G HO2' 3.000 . 4.000 5.346 5.102 5.551 1.551 2 10 [*+****-***] 1
79 1 11 G H3' 1 11 G H8 2.000 . 3.000 3.082 3.059 3.097 0.097 10 0 "[ . 1]" 1
80 1 11 G H3' 1 11 G H5'' 2.300 . 3.300 3.034 3.028 3.043 . 0 0 "[ . 1]" 1
81 1 11 G H4' 1 11 G H5' 1.700 . 2.700 2.473 2.470 2.475 . 0 0 "[ . 1]" 1
82 1 11 G H4' 1 11 G H5'' 1.700 . 2.700 2.377 2.372 2.382 . 0 0 "[ . 1]" 1
83 1 11 G H8 1 12 A H8 4.000 . 5.000 4.785 4.761 4.818 . 0 0 "[ . 1]" 1
84 1 11 G HO2' 1 12 A H8 1.700 . 2.700 4.237 3.718 4.759 2.059 5 10 [****+****-] 1
85 1 11 G H3' 1 12 A H8 2.300 . 3.300 3.222 3.184 3.256 . 0 0 "[ . 1]" 1
86 1 12 A H8 1 12 A HO2' 3.000 . 4.000 5.302 5.116 5.575 1.575 9 10 [***-****+*] 1
87 1 12 A H3' 1 12 A H8 2.000 . 3.000 3.052 3.026 3.069 0.069 5 0 "[ . 1]" 1
88 1 12 A H3' 1 12 A H5'' 2.300 . 3.300 3.013 3.001 3.024 . 0 0 "[ . 1]" 1
89 1 12 A H4' 1 12 A H5' 1.700 . 2.700 2.467 2.465 2.469 . 0 0 "[ . 1]" 1
90 1 12 A H4' 1 12 A H5'' 1.700 . 2.700 2.385 2.381 2.390 . 0 0 "[ . 1]" 1
91 1 12 A H2 1 13 U H1' 4.000 . 5.000 3.049 2.980 3.185 . 0 0 "[ . 1]" 1
92 1 12 A H2 1 59 C H1' 4.000 . 5.000 3.021 2.884 3.237 . 0 0 "[ . 1]" 1
93 1 12 A H8 1 13 U H6 4.000 . 5.000 4.667 4.638 4.685 . 0 0 "[ . 1]" 1
94 1 12 A H8 1 13 U H5 4.000 . 5.000 3.893 3.856 3.943 . 0 0 "[ . 1]" 1
95 1 12 A HO2' 1 13 U H6 1.700 . 2.700 4.248 3.708 4.650 1.950 4 10 [***+****-*] 1
96 1 12 A H3' 1 13 U H6 2.300 . 3.300 2.924 2.890 2.966 . 0 0 "[ . 1]" 1
97 1 13 U H6 1 13 U HO2' 3.000 . 4.000 5.167 4.827 5.278 1.278 10 10 [****-****+] 1
98 1 13 U H3' 1 13 U H6 2.000 . 3.000 2.791 2.753 2.826 . 0 0 "[ . 1]" 1
99 1 13 U H3' 1 13 U H5'' 2.300 . 3.300 3.009 3.001 3.020 . 0 0 "[ . 1]" 1
100 1 13 U H4' 1 13 U H5' 1.700 . 2.700 2.467 2.464 2.472 . 0 0 "[ . 1]" 1
101 1 13 U H4' 1 13 U H5'' 1.700 . 2.700 2.377 2.371 2.380 . 0 0 "[ . 1]" 1
102 1 13 U H6 1 14 G H8 4.000 . 5.000 4.921 4.834 4.988 . 0 0 "[ . 1]" 1
103 1 13 U HO2' 1 14 G H8 1.700 . 2.700 3.972 3.753 4.691 1.991 5 10 [*-**+*****] 1
104 1 13 U H3' 1 14 G H8 2.300 . 3.300 3.352 3.340 3.368 0.068 1 0 "[ . 1]" 1
105 1 14 G H8 1 14 G HO2' 3.000 . 4.000 5.449 5.359 5.552 1.552 3 10 [**+******-] 1
106 1 14 G H3' 1 14 G H8 2.000 . 3.000 3.029 2.993 3.060 0.060 10 0 "[ . 1]" 1
107 1 14 G H3' 1 14 G H5'' 2.300 . 3.300 3.020 3.009 3.034 . 0 0 "[ . 1]" 1
108 1 14 G H4' 1 14 G H5' 1.700 . 2.700 2.484 2.479 2.490 . 0 0 "[ . 1]" 1
109 1 14 G H4' 1 14 G H5'' 1.700 . 2.700 2.364 2.359 2.370 . 0 0 "[ . 1]" 1
110 1 15 C H6 1 15 C HO2' 3.000 . 4.000 4.915 4.769 5.160 1.160 7 10 [****-*+***] 1
111 1 15 C H3' 1 15 C H6 2.000 . 3.000 1.788 1.714 2.077 0.086 5 0 "[ . 1]" 1
112 1 15 C H3' 1 15 C H5'' 2.300 . 3.300 2.962 2.897 3.057 . 0 0 "[ . 1]" 1
113 1 15 C H4' 1 15 C H5' 1.700 . 2.700 2.455 2.437 2.482 . 0 0 "[ . 1]" 1
114 1 15 C H4' 1 15 C H5'' 1.700 . 2.700 2.408 2.380 2.427 . 0 0 "[ . 1]" 1
115 1 15 C H6 1 16 C H5 4.000 . 5.000 3.346 3.079 3.787 . 0 0 "[ . 1]" 1
116 1 15 C H6 1 16 C H6 4.000 . 5.000 4.012 3.759 4.552 . 0 0 "[ . 1]" 1
117 1 15 C HO2' 1 16 C H6 1.700 . 2.700 3.782 3.584 3.908 1.208 5 10 [**-*+*****] 1
118 1 15 C H3' 1 16 C H6 2.300 . 3.300 3.296 3.171 3.379 0.079 10 0 "[ . 1]" 1
119 1 16 C H6 1 16 C HO2' 3.000 . 4.000 5.034 4.711 5.358 1.358 8 10 [****-**+**] 1
120 1 16 C H3' 1 16 C H6 2.000 . 3.000 2.432 2.249 2.592 . 0 0 "[ . 1]" 1
121 1 16 C H3' 1 16 C H5'' 2.300 . 3.300 3.049 3.030 3.085 . 0 0 "[ . 1]" 1
122 1 16 C H4' 1 16 C H5' 1.700 . 2.700 2.464 2.456 2.473 . 0 0 "[ . 1]" 1
123 1 16 C H4' 1 16 C H5'' 1.700 . 2.700 2.383 2.371 2.397 . 0 0 "[ . 1]" 1
124 1 16 C H6 1 17 C H5 4.000 . 5.000 4.219 4.010 4.478 . 0 0 "[ . 1]" 1
125 1 16 C H6 1 17 C H6 4.000 . 5.000 4.606 4.371 4.839 . 0 0 "[ . 1]" 1
126 1 16 C HO2' 1 17 C H6 1.700 . 2.700 4.048 3.434 4.674 1.974 2 10 [*+*****-**] 1
127 1 16 C H3' 1 17 C H6 2.300 . 3.300 3.339 3.293 3.358 0.058 2 0 "[ . 1]" 1
128 1 17 C H6 1 17 C HO2' 3.000 . 4.000 5.199 4.907 5.381 1.381 7 10 [*****-+***] 1
129 1 17 C H3' 1 17 C H6 2.000 . 3.000 2.793 2.763 2.827 . 0 0 "[ . 1]" 1
130 1 17 C H3' 1 17 C H5'' 2.300 . 3.300 3.015 2.987 3.038 . 0 0 "[ . 1]" 1
131 1 17 C H4' 1 17 C H5' 1.700 . 2.700 2.453 2.443 2.457 . 0 0 "[ . 1]" 1
132 1 17 C H4' 1 17 C H5'' 1.700 . 2.700 2.402 2.396 2.413 . 0 0 "[ . 1]" 1
133 1 17 C H6 1 18 A H8 4.000 . 5.000 4.614 4.505 4.701 . 0 0 "[ . 1]" 1
134 1 17 C HO2' 1 18 A H8 1.700 . 2.700 4.131 3.564 4.668 1.968 6 10 [*****+-***] 1
135 1 17 C H3' 1 18 A H8 2.300 . 3.300 3.296 3.222 3.334 0.034 6 0 "[ . 1]" 1
136 1 18 A H8 1 18 A HO2' 3.000 . 4.000 5.394 5.111 5.597 1.597 7 10 [******+*-*] 1
137 1 18 A H3' 1 18 A H8 2.000 . 3.000 3.012 2.988 3.040 0.040 5 0 "[ . 1]" 1
138 1 18 A H3' 1 18 A H5'' 2.300 . 3.300 3.042 3.027 3.053 . 0 0 "[ . 1]" 1
139 1 18 A H4' 1 18 A H5' 1.700 . 2.700 2.488 2.483 2.493 . 0 0 "[ . 1]" 1
140 1 18 A H4' 1 18 A H5'' 1.700 . 2.700 2.364 2.359 2.370 . 0 0 "[ . 1]" 1
141 1 18 A H2 1 19 G H1' 4.000 . 5.000 4.067 3.864 4.261 . 0 0 "[ . 1]" 1
142 1 18 A H2 1 28 G H1' 4.000 . 5.000 3.852 3.521 4.092 . 0 0 "[ . 1]" 1
143 1 18 A H8 1 19 G H8 4.000 . 5.000 4.608 4.574 4.653 . 0 0 "[ . 1]" 1
144 1 18 A HO2' 1 19 G H8 1.700 . 2.700 4.015 3.620 4.723 2.023 9 10 [-*******+*] 1
145 1 18 A H3' 1 19 G H8 2.300 . 3.300 3.226 3.163 3.269 . 0 0 "[ . 1]" 1
146 1 19 G H8 1 19 G HO2' 3.000 . 4.000 5.375 5.128 5.570 1.570 2 10 [*+***-****] 1
147 1 19 G H3' 1 19 G H8 2.000 . 3.000 2.994 2.971 3.023 0.023 6 0 "[ . 1]" 1
148 1 19 G H3' 1 19 G H5'' 2.300 . 3.300 3.064 3.051 3.078 . 0 0 "[ . 1]" 1
149 1 19 G H4' 1 19 G H5' 1.700 . 2.700 2.499 2.496 2.503 . 0 0 "[ . 1]" 1
150 1 19 G H4' 1 19 G H5'' 1.700 . 2.700 2.352 2.349 2.353 . 0 0 "[ . 1]" 1
151 1 19 G H8 1 20 A H8 4.000 . 5.000 4.681 4.629 4.740 . 0 0 "[ . 1]" 1
152 1 19 G HO2' 1 20 A H8 1.700 . 2.700 4.150 3.729 4.846 2.146 6 10 [*-***+****] 1
153 1 19 G H3' 1 20 A H8 2.300 . 3.300 3.366 3.350 3.383 0.083 2 0 "[ . 1]" 1
154 1 20 A H8 1 20 A HO2' 3.000 . 4.000 5.262 5.126 5.508 1.508 10 10 [-********+] 1
155 1 20 A H3' 1 20 A H8 2.000 . 3.000 3.030 3.020 3.048 0.048 5 0 "[ . 1]" 1
156 1 20 A H3' 1 20 A H5'' 2.300 . 3.300 3.072 3.064 3.077 . 0 0 "[ . 1]" 1
157 1 20 A H4' 1 20 A H5' 1.700 . 2.700 2.490 2.489 2.492 . 0 0 "[ . 1]" 1
158 1 20 A H4' 1 20 A H5'' 1.700 . 2.700 2.359 2.357 2.362 . 0 0 "[ . 1]" 1
159 1 20 A H2 1 26 C H1' 4.000 . 5.000 4.232 4.050 4.462 . 0 0 "[ . 1]" 1
160 1 20 A H2 1 21 G H1' 4.000 . 5.000 3.625 3.523 3.709 . 0 0 "[ . 1]" 1
161 1 20 A H8 1 21 G H8 4.000 . 5.000 4.393 4.342 4.436 . 0 0 "[ . 1]" 1
162 1 20 A HO2' 1 21 G H8 1.700 . 2.700 4.742 4.222 5.107 2.407 5 10 [****+****-] 1
163 1 20 A H3' 1 21 G H8 2.300 . 3.300 2.872 2.813 2.914 . 0 0 "[ . 1]" 1
164 1 21 G H8 1 21 G HO2' 3.000 . 4.000 5.559 5.553 5.570 1.570 3 10 [**+***-***] 1
165 1 21 G H3' 1 21 G H8 2.000 . 3.000 2.732 2.692 2.755 . 0 0 "[ . 1]" 1
166 1 21 G H3' 1 21 G H5'' 2.300 . 3.300 3.035 3.026 3.044 . 0 0 "[ . 1]" 1
167 1 21 G H4' 1 21 G H5' 1.700 . 2.700 2.470 2.467 2.475 . 0 0 "[ . 1]" 1
168 1 21 G H4' 1 21 G H5'' 1.700 . 2.700 2.387 2.386 2.390 . 0 0 "[ . 1]" 1
169 1 21 G HO2' 1 22 A H5'' 1.700 . 2.700 2.650 2.603 2.704 0.004 8 0 "[ . 1]" 1
170 1 21 G H3' 1 22 A H5'' 2.300 . 3.300 3.229 3.201 3.270 . 0 0 "[ . 1]" 1
171 1 21 G HO2' 1 22 A H3' 4.000 . 5.000 3.565 3.485 3.624 . 0 0 "[ . 1]" 1
172 1 21 G H3' 1 22 A H3' 4.000 . 5.000 5.242 5.221 5.271 0.271 7 0 "[ . 1]" 1
173 1 21 G HO2' 1 23 G H8 4.000 . 5.000 3.358 3.299 3.408 . 0 0 "[ . 1]" 1
174 1 22 A H8 1 22 A HO2' 4.000 . 5.000 5.785 5.669 5.859 0.859 9 10 [-*******+*] 1
175 1 22 A H3' 1 22 A H8 4.000 . 5.000 3.400 3.358 3.423 . 0 0 "[ . 1]" 1
176 1 22 A H3' 1 22 A H5'' 2.300 . 3.300 2.351 2.338 2.362 . 0 0 "[ . 1]" 1
177 1 22 A H4' 1 22 A H5' 1.700 . 2.700 2.345 2.338 2.349 . 0 0 "[ . 1]" 1
178 1 22 A H4' 1 22 A H5'' 1.700 . 2.700 2.985 2.981 2.989 0.289 10 0 "[ . 1]" 1
179 1 22 A H8 1 23 G H8 4.000 . 5.000 4.791 4.753 4.817 . 0 0 "[ . 1]" 1
180 1 22 A HO2' 1 23 G H8 2.300 . 3.300 5.275 5.025 5.544 2.244 8 10 [*******+*-] 1
181 1 22 A H3' 1 23 G H8 2.300 . 3.300 2.166 2.150 2.188 . 0 0 "[ . 1]" 1
182 1 22 A H2 1 23 G H1' 4.000 . 5.000 4.477 4.354 4.613 . 0 0 "[ . 1]" 1
183 1 23 G H8 1 23 G HO2' 3.000 . 4.000 5.095 5.007 5.149 1.149 1 10 [+*****-***] 1
184 1 23 G H3' 1 23 G H8 2.000 . 3.000 3.139 3.115 3.198 0.198 7 0 "[ . 1]" 1
185 1 23 G H3' 1 23 G H5'' 2.300 . 3.300 2.751 2.725 2.769 . 0 0 "[ . 1]" 1
186 1 23 G H4' 1 23 G H5' 1.700 . 2.700 2.512 2.508 2.519 . 0 0 "[ . 1]" 1
187 1 23 G H4' 1 23 G H5'' 1.700 . 2.700 2.347 2.344 2.354 . 0 0 "[ . 1]" 1
188 1 23 G H8 1 24 A H8 4.000 . 5.000 5.306 5.282 5.323 0.323 6 0 "[ . 1]" 1
189 1 23 G HO2' 1 24 A H8 2.300 . 3.300 4.793 4.453 5.300 2.000 10 10 [*******-*+] 1
190 1 23 G H3' 1 24 A H8 2.300 . 3.300 3.011 2.965 3.071 . 0 0 "[ . 1]" 1
191 1 23 G H1' 1 24 A H2 4.000 . 5.000 5.606 5.553 5.649 0.649 9 10 [******-*+*] 1
192 1 24 A H8 1 24 A HO2' 3.000 . 4.000 5.024 4.926 5.077 1.077 3 10 [**+*-*****] 1
193 1 24 A H3' 1 24 A H8 2.000 . 3.000 2.355 2.331 2.404 . 0 0 "[ . 1]" 1
194 1 24 A H3' 1 24 A H5'' 2.300 . 3.300 2.790 2.777 2.803 . 0 0 "[ . 1]" 1
195 1 24 A H4' 1 24 A H5' 1.700 . 2.700 2.378 2.372 2.384 . 0 0 "[ . 1]" 1
196 1 24 A H4' 1 24 A H5'' 1.700 . 2.700 2.471 2.462 2.476 . 0 0 "[ . 1]" 1
197 1 24 A H8 1 25 U H6 5.000 4.000 6.000 3.916 3.894 3.943 0.106 2 0 "[ . 1]" 1
198 1 24 A H8 1 25 U H5 5.000 4.000 6.000 3.930 3.856 4.082 0.144 9 0 "[ . 1]" 1
199 1 24 A H2 1 25 U H1' 3.500 3.000 4.000 4.741 4.652 4.855 0.855 7 10 [***-**+***] 1
200 1 24 A HO2' 1 25 U H6 1.700 . 2.700 4.340 4.027 4.999 2.299 5 10 [****+*-***] 1
201 1 25 U H6 1 25 U HO2' 3.000 . 4.000 5.157 4.765 5.396 1.396 9 10 [********+-] 1
202 1 25 U H3' 1 25 U H6 2.000 . 3.000 2.627 2.601 2.648 . 0 0 "[ . 1]" 1
203 1 25 U H3' 1 25 U H5'' 2.300 . 3.300 2.858 2.838 2.882 . 0 0 "[ . 1]" 1
204 1 25 U H4' 1 25 U H5' 1.700 . 2.700 2.392 2.383 2.405 . 0 0 "[ . 1]" 1
205 1 25 U H4' 1 25 U H5'' 1.700 . 2.700 2.477 2.470 2.490 . 0 0 "[ . 1]" 1
206 1 25 U H6 1 26 C H5 4.000 . 5.000 4.230 4.133 4.342 . 0 0 "[ . 1]" 1
207 1 25 U H6 1 26 C H6 4.000 . 5.000 4.773 4.723 4.834 . 0 0 "[ . 1]" 1
208 1 25 U HO2' 1 26 C H6 1.700 . 2.700 4.092 3.702 4.679 1.979 10 10 [********-+] 1
209 1 25 U H3' 1 26 C H6 2.300 . 3.300 3.148 3.120 3.185 . 0 0 "[ . 1]" 1
210 1 26 C H6 1 26 C HO2' 3.000 . 4.000 5.285 4.864 5.424 1.424 10 10 [****-****+] 1
211 1 26 C H3' 1 26 C H6 2.000 . 3.000 2.774 2.708 2.854 . 0 0 "[ . 1]" 1
212 1 26 C H3' 1 26 C H5'' 2.300 . 3.300 3.017 3.003 3.033 . 0 0 "[ . 1]" 1
213 1 26 C H4' 1 26 C H5' 1.700 . 2.700 2.475 2.471 2.479 . 0 0 "[ . 1]" 1
214 1 26 C H4' 1 26 C H5'' 1.700 . 2.700 2.376 2.370 2.385 . 0 0 "[ . 1]" 1
215 1 26 C H6 1 27 U H5 4.000 . 5.000 4.116 4.061 4.204 . 0 0 "[ . 1]" 1
216 1 26 C H6 1 27 U H6 4.000 . 5.000 4.811 4.755 4.870 . 0 0 "[ . 1]" 1
217 1 26 C HO2' 1 27 U H6 1.700 . 2.700 3.841 3.591 4.708 2.008 5 10 [****+****-] 1
218 1 26 C H3' 1 27 U H6 2.300 . 3.300 3.268 3.208 3.319 0.019 6 0 "[ . 1]" 1
219 1 27 U H6 1 27 U HO2' 3.000 . 4.000 5.246 4.951 5.418 1.418 3 10 [**+*-*****] 1
220 1 27 U H3' 1 27 U H6 2.000 . 3.000 2.866 2.820 2.949 . 0 0 "[ . 1]" 1
221 1 27 U H3' 1 27 U H5'' 2.300 . 3.300 3.029 3.012 3.040 . 0 0 "[ . 1]" 1
222 1 27 U H4' 1 27 U H5' 1.700 . 2.700 2.481 2.471 2.488 . 0 0 "[ . 1]" 1
223 1 27 U H4' 1 27 U H5'' 1.700 . 2.700 2.372 2.366 2.380 . 0 0 "[ . 1]" 1
224 1 27 U H6 1 28 G H8 4.000 . 5.000 4.580 4.525 4.699 . 0 0 "[ . 1]" 1
225 1 27 U HO2' 1 28 G H8 1.700 . 2.700 4.131 3.871 4.924 2.224 5 10 [**-*+*****] 1
226 1 27 U H3' 1 28 G H8 2.300 . 3.300 3.313 3.208 3.358 0.058 7 0 "[ . 1]" 1
227 1 28 G H8 1 28 G HO2' 3.000 . 4.000 5.446 5.285 5.581 1.581 4 10 [***+*-****] 1
228 1 28 G H3' 1 28 G H8 2.000 . 3.000 3.102 2.991 3.143 0.143 4 0 "[ . 1]" 1
229 1 28 G H3' 1 28 G H5'' 2.300 . 3.300 3.069 3.038 3.091 . 0 0 "[ . 1]" 1
230 1 28 G H4' 1 28 G H5' 1.700 . 2.700 2.498 2.492 2.511 . 0 0 "[ . 1]" 1
231 1 28 G H4' 1 28 G H5'' 1.700 . 2.700 2.355 2.346 2.360 . 0 0 "[ . 1]" 1
232 1 28 G H8 1 29 G H8 4.000 . 5.000 4.695 4.480 4.874 . 0 0 "[ . 1]" 1
233 1 28 G HO2' 1 29 G H8 1.700 . 2.700 4.578 4.323 4.800 2.100 4 10 [***+**-***] 1
234 1 28 G H3' 1 29 G H8 2.300 . 3.300 3.702 3.534 3.789 0.489 9 0 "[ . 1]" 1
235 1 29 G H8 1 29 G HO2' 3.000 . 4.000 5.056 4.875 5.234 1.234 4 10 [***+-*****] 1
236 1 29 G H3' 1 29 G H8 2.000 . 3.000 2.928 2.748 3.057 0.057 5 0 "[ . 1]" 1
237 1 29 G H3' 1 29 G H5'' 2.300 . 3.300 3.236 3.098 3.289 . 0 0 "[ . 1]" 1
238 1 29 G H4' 1 29 G H5' 1.700 . 2.700 2.591 2.508 2.627 . 0 0 "[ . 1]" 1
239 1 29 G H4' 1 29 G H5'' 1.700 . 2.700 2.284 2.262 2.347 . 0 0 "[ . 1]" 1
240 1 29 G H8 1 30 G H8 4.000 . 5.000 4.801 4.387 5.001 0.001 3 0 "[ . 1]" 1
241 1 29 G HO2' 1 30 G H8 1.700 . 2.700 4.354 3.785 5.099 2.399 3 10 [**+*-*****] 1
242 1 29 G H3' 1 30 G H8 2.300 . 3.300 3.674 3.463 3.863 0.563 10 2 "[ - +]" 1
243 1 31 G H8 1 32 C H6 4.000 . 5.000 3.139 2.793 3.727 . 0 0 "[ . 1]" 1
244 1 31 G H8 1 32 C H5 4.000 . 5.000 3.094 2.917 3.264 . 0 0 "[ . 1]" 1
245 1 31 G HO2' 1 32 C H6 4.000 . 5.000 4.696 1.855 5.540 0.540 5 1 "[ + 1]" 1
246 1 31 G H3' 1 32 C H6 4.000 . 5.000 4.819 4.606 5.227 0.227 3 0 "[ . 1]" 1
247 1 32 C H6 1 32 C HO2' 3.000 . 4.000 4.882 4.680 4.962 0.962 6 10 [-****+****] 1
248 1 32 C H3' 1 32 C H6 2.000 . 3.000 2.203 2.048 2.375 . 0 0 "[ . 1]" 1
249 1 32 C H3' 1 32 C H5'' 2.300 . 3.300 2.671 2.581 3.017 . 0 0 "[ . 1]" 1
250 1 32 C H4' 1 32 C H5' 1.700 . 2.700 2.263 2.238 2.391 . 0 0 "[ . 1]" 1
251 1 32 C H4' 1 32 C H5'' 1.700 . 2.700 2.651 2.472 2.681 . 0 0 "[ . 1]" 1
252 1 32 C H6 1 33 C H5 4.000 . 5.000 3.744 3.528 3.850 . 0 0 "[ . 1]" 1
253 1 32 C H6 1 33 C H6 4.000 . 5.000 4.133 3.891 4.316 . 0 0 "[ . 1]" 1
254 1 32 C HO2' 1 33 C H6 1.700 . 2.700 3.585 3.312 4.381 1.681 1 10 [+***-*****] 1
255 1 32 C H3' 1 33 C H6 2.300 . 3.300 3.525 3.393 3.629 0.329 5 0 "[ . 1]" 1
256 1 33 C H6 1 33 C HO2' 3.000 . 4.000 5.213 4.911 5.358 1.358 9 10 [-*******+*] 1
257 1 33 C H3' 1 33 C H6 2.000 . 3.000 2.837 2.790 2.860 . 0 0 "[ . 1]" 1
258 1 33 C H3' 1 33 C H5'' 2.300 . 3.300 3.025 3.006 3.054 . 0 0 "[ . 1]" 1
259 1 33 C H4' 1 33 C H5' 1.700 . 2.700 2.466 2.463 2.472 . 0 0 "[ . 1]" 1
260 1 33 C H4' 1 33 C H5'' 1.700 . 2.700 2.392 2.385 2.399 . 0 0 "[ . 1]" 1
261 1 33 C H6 1 34 U H5 4.000 . 5.000 4.081 4.052 4.115 . 0 0 "[ . 1]" 1
262 1 33 C H6 1 34 U H6 4.000 . 5.000 4.772 4.718 4.822 . 0 0 "[ . 1]" 1
263 1 33 C HO2' 1 34 U H6 1.700 . 2.700 3.665 3.285 4.522 1.822 1 10 [+-********] 1
264 1 33 C H3' 1 34 U H6 2.300 . 3.300 3.374 3.321 3.411 0.111 3 0 "[ . 1]" 1
265 1 34 U H6 1 34 U HO2' 3.000 . 4.000 5.276 4.877 5.438 1.438 7 10 [******+-**] 1
266 1 34 U H3' 1 34 U H6 2.000 . 3.000 2.843 2.795 2.864 . 0 0 "[ . 1]" 1
267 1 34 U H3' 1 34 U H5'' 2.300 . 3.300 3.029 3.021 3.039 . 0 0 "[ . 1]" 1
268 1 34 U H4' 1 34 U H5' 1.700 . 2.700 2.475 2.471 2.480 . 0 0 "[ . 1]" 1
269 1 34 U H4' 1 34 U H5'' 1.700 . 2.700 2.370 2.366 2.373 . 0 0 "[ . 1]" 1
270 1 34 U H6 1 35 C H5 4.000 . 5.000 4.046 3.993 4.104 . 0 0 "[ . 1]" 1
271 1 34 U H6 1 35 C H6 4.000 . 5.000 4.832 4.801 4.866 . 0 0 "[ . 1]" 1
272 1 34 U HO2' 1 35 C H6 1.700 . 2.700 3.715 3.343 4.569 1.869 8 10 [******-+**] 1
273 1 34 U H3' 1 35 C H6 2.300 . 3.300 3.226 3.206 3.246 . 0 0 "[ . 1]" 1
274 1 35 C H6 1 35 C HO2' 3.000 . 4.000 5.271 4.876 5.392 1.392 2 10 [*+**-*****] 1
275 1 35 C H3' 1 35 C H6 2.000 . 3.000 2.752 2.724 2.780 . 0 0 "[ . 1]" 1
276 1 35 C H3' 1 35 C H5'' 2.300 . 3.300 3.033 3.029 3.045 . 0 0 "[ . 1]" 1
277 1 35 C H4' 1 35 C H5' 1.700 . 2.700 2.483 2.482 2.485 . 0 0 "[ . 1]" 1
278 1 35 C H4' 1 35 C H5'' 1.700 . 2.700 2.366 2.361 2.369 . 0 0 "[ . 1]" 1
279 1 35 C H6 1 36 G H8 4.000 . 5.000 4.568 4.531 4.600 . 0 0 "[ . 1]" 1
280 1 35 C HO2' 1 36 G H8 1.700 . 2.700 3.882 3.654 4.714 2.014 5 10 [*-**+*****] 1
281 1 35 C H3' 1 36 G H8 2.300 . 3.300 3.197 3.168 3.246 . 0 0 "[ . 1]" 1
282 1 36 G H8 1 36 G HO2' 3.000 . 4.000 5.324 5.073 5.656 1.656 1 10 [+-********] 1
283 1 36 G H3' 1 36 G H8 2.000 . 3.000 3.021 2.991 3.040 0.040 8 0 "[ . 1]" 1
284 1 36 G H3' 1 36 G H5'' 2.300 . 3.300 3.048 3.031 3.060 . 0 0 "[ . 1]" 1
285 1 36 G H4' 1 36 G H5' 1.700 . 2.700 2.499 2.495 2.505 . 0 0 "[ . 1]" 1
286 1 36 G H4' 1 36 G H5'' 1.700 . 2.700 2.356 2.350 2.363 . 0 0 "[ . 1]" 1
287 1 36 G H8 1 37 G H8 4.000 . 5.000 5.028 4.981 5.081 0.081 7 0 "[ . 1]" 1
288 1 36 G HO2' 1 37 G H8 1.700 . 2.700 4.382 3.790 4.968 2.268 2 10 [-+********] 1
289 1 36 G H3' 1 37 G H8 2.300 . 3.300 3.473 3.434 3.554 0.254 10 0 "[ . 1]" 1
290 1 37 G H8 1 37 G HO2' 3.000 . 4.000 5.444 5.142 5.569 1.569 2 10 [*+*****-**] 1
291 1 37 G H3' 1 37 G H8 2.000 . 3.000 3.098 3.075 3.113 0.113 1 0 "[ . 1]" 1
292 1 37 G H3' 1 37 G H5'' 2.300 . 3.300 3.055 3.044 3.059 . 0 0 "[ . 1]" 1
293 1 37 G H4' 1 37 G H5' 1.700 . 2.700 2.489 2.485 2.491 . 0 0 "[ . 1]" 1
294 1 37 G H4' 1 37 G H5'' 1.700 . 2.700 2.370 2.363 2.373 . 0 0 "[ . 1]" 1
295 1 37 G H8 1 38 G H8 4.000 . 5.000 4.445 4.365 4.544 . 0 0 "[ . 1]" 1
296 1 37 G HO2' 1 38 G H8 1.700 . 2.700 4.379 4.159 5.044 2.344 8 10 [*-*****+**] 1
297 1 37 G H3' 1 38 G H8 2.300 . 3.300 2.718 2.662 2.763 . 0 0 "[ . 1]" 1
298 1 38 G H8 1 38 G HO2' 3.000 . 4.000 5.535 5.515 5.550 1.550 8 10 [****-**+**] 1
299 1 38 G H3' 1 38 G H8 2.000 . 3.000 2.612 2.567 2.654 . 0 0 "[ . 1]" 1
300 1 38 G H3' 1 38 G H5'' 2.300 . 3.300 3.031 3.023 3.041 . 0 0 "[ . 1]" 1
301 1 38 G H4' 1 38 G H5' 1.700 . 2.700 2.473 2.467 2.480 . 0 0 "[ . 1]" 1
302 1 38 G H4' 1 38 G H5'' 1.700 . 2.700 2.385 2.380 2.387 . 0 0 "[ . 1]" 1
303 1 38 G HO2' 1 39 A H5'' 1.700 . 2.700 2.642 2.567 2.687 . 0 0 "[ . 1]" 1
304 1 38 G H3' 1 39 A H5'' 2.300 . 3.300 3.213 3.178 3.245 . 0 0 "[ . 1]" 1
305 1 38 G HO2' 1 39 A H3' 4.000 . 5.000 3.587 3.512 3.660 . 0 0 "[ . 1]" 1
306 1 38 G H3' 1 39 A H3' 4.000 . 5.000 5.220 5.188 5.279 0.279 10 0 "[ . 1]" 1
307 1 38 G HO2' 1 40 G H8 4.000 . 5.000 3.346 3.295 3.396 . 0 0 "[ . 1]" 1
308 1 39 A H8 1 39 A HO2' 4.000 . 5.000 5.634 5.105 5.834 0.834 3 7 "[**+ *-* *]" 1
309 1 39 A H3' 1 39 A H8 4.000 . 5.000 3.369 3.355 3.390 . 0 0 "[ . 1]" 1
310 1 39 A H3' 1 39 A H5'' 2.300 . 3.300 2.335 2.322 2.346 . 0 0 "[ . 1]" 1
311 1 39 A H4' 1 39 A H5' 1.700 . 2.700 2.334 2.325 2.342 . 0 0 "[ . 1]" 1
312 1 39 A H4' 1 39 A H5'' 1.700 . 2.700 2.983 2.979 2.989 0.289 10 0 "[ . 1]" 1
313 1 39 A H8 1 40 G H8 4.000 . 5.000 4.764 4.749 4.784 . 0 0 "[ . 1]" 1
314 1 39 A HO2' 1 40 G H8 2.300 . 3.300 5.444 5.024 5.858 2.558 4 10 [***+*****-] 1
315 1 39 A H3' 1 40 G H8 2.300 . 3.300 2.144 2.129 2.158 . 0 0 "[ . 1]" 1
316 1 39 A H2 1 40 G H1' 4.000 . 5.000 4.918 4.883 4.953 . 0 0 "[ . 1]" 1
317 1 40 G H8 1 40 G HO2' 3.000 . 4.000 4.851 4.758 5.062 1.062 3 10 [**+-******] 1
318 1 40 G H3' 1 40 G H8 2.000 . 3.000 3.433 3.401 3.453 0.453 7 0 "[ . 1]" 1
319 1 40 G H3' 1 40 G H5'' 2.300 . 3.300 2.674 2.657 2.707 . 0 0 "[ . 1]" 1
320 1 40 G H4' 1 40 G H5' 1.700 . 2.700 2.526 2.511 2.540 . 0 0 "[ . 1]" 1
321 1 40 G H4' 1 40 G H5'' 1.700 . 2.700 2.331 2.317 2.341 . 0 0 "[ . 1]" 1
322 1 40 G H8 1 41 A H8 4.000 . 5.000 5.347 5.327 5.361 0.361 7 0 "[ . 1]" 1
323 1 40 G HO2' 1 41 A H8 2.300 . 3.300 4.681 4.331 5.048 1.748 7 10 [******+**-] 1
324 1 40 G H3' 1 41 A H8 2.300 . 3.300 3.050 3.041 3.058 . 0 0 "[ . 1]" 1
325 1 40 G H1' 1 41 A H2 4.000 . 5.000 5.605 5.592 5.618 0.618 6 10 [*****+-***] 1
326 1 41 A H8 1 41 A HO2' 3.000 . 4.000 4.911 4.848 4.979 0.979 3 10 [*-+*******] 1
327 1 41 A H3' 1 41 A H8 2.000 . 3.000 2.664 2.622 2.705 . 0 0 "[ . 1]" 1
328 1 41 A H3' 1 41 A H5'' 2.300 . 3.300 2.763 2.740 2.777 . 0 0 "[ . 1]" 1
329 1 41 A H4' 1 41 A H5' 1.700 . 2.700 2.371 2.364 2.378 . 0 0 "[ . 1]" 1
330 1 41 A H4' 1 41 A H5'' 1.700 . 2.700 2.486 2.473 2.493 . 0 0 "[ . 1]" 1
331 1 41 A H8 1 42 U H6 5.000 4.000 6.000 3.918 3.899 3.945 0.101 9 0 "[ . 1]" 1
332 1 41 A H8 1 42 U H5 5.000 4.000 6.000 3.904 3.852 3.928 0.148 8 0 "[ . 1]" 1
333 1 41 A H2 1 42 U H1' 3.500 3.000 4.000 5.139 5.061 5.170 1.170 9 10 [********+-] 1
334 1 41 A HO2' 1 42 U H6 1.700 . 2.700 4.242 3.941 4.727 2.027 3 10 [*-+*******] 1
335 1 42 U H6 1 42 U HO2' 3.000 . 4.000 5.312 4.742 5.426 1.426 4 10 [***+-*****] 1
336 1 42 U H3' 1 42 U H6 2.000 . 3.000 2.549 2.514 2.563 . 0 0 "[ . 1]" 1
337 1 42 U H3' 1 42 U H5'' 2.300 . 3.300 2.879 2.864 2.919 . 0 0 "[ . 1]" 1
338 1 42 U H4' 1 42 U H5' 1.700 . 2.700 2.401 2.394 2.415 . 0 0 "[ . 1]" 1
339 1 42 U H4' 1 42 U H5'' 1.700 . 2.700 2.470 2.461 2.474 . 0 0 "[ . 1]" 1
340 1 42 U H6 1 43 C H5 4.000 . 5.000 4.460 4.370 4.641 . 0 0 "[ . 1]" 1
341 1 42 U H6 1 43 C H6 4.000 . 5.000 5.046 5.019 5.115 0.115 10 0 "[ . 1]" 1
342 1 42 U HO2' 1 43 C H6 1.700 . 2.700 3.637 3.367 4.660 1.960 5 10 [****+****-] 1
343 1 42 U H3' 1 43 C H6 2.300 . 3.300 3.295 3.250 3.318 0.018 1 0 "[ . 1]" 1
344 1 43 C H6 1 43 C HO2' 3.000 . 4.000 5.314 4.830 5.427 1.427 10 10 [***-*****+] 1
345 1 43 C H3' 1 43 C H6 2.000 . 3.000 2.681 2.653 2.745 . 0 0 "[ . 1]" 1
346 1 43 C H3' 1 43 C H5'' 2.300 . 3.300 3.025 3.000 3.037 . 0 0 "[ . 1]" 1
347 1 43 C H4' 1 43 C H5' 1.700 . 2.700 2.466 2.454 2.473 . 0 0 "[ . 1]" 1
348 1 43 C H4' 1 43 C H5'' 1.700 . 2.700 2.381 2.373 2.396 . 0 0 "[ . 1]" 1
349 1 43 C H6 1 44 G H8 4.000 . 5.000 4.688 4.654 4.751 . 0 0 "[ . 1]" 1
350 1 43 C HO2' 1 44 G H8 1.700 . 2.700 3.714 3.492 4.624 1.924 4 10 [-**+******] 1
351 1 43 C H3' 1 44 G H8 2.300 . 3.300 3.178 3.146 3.194 . 0 0 "[ . 1]" 1
352 1 44 G H8 1 44 G HO2' 3.000 . 4.000 5.358 5.062 5.586 1.586 10 10 [*-*******+] 1
353 1 44 G H3' 1 44 G H8 2.000 . 3.000 3.028 3.017 3.041 0.041 6 0 "[ . 1]" 1
354 1 44 G H3' 1 44 G H5'' 2.300 . 3.300 3.025 3.017 3.035 . 0 0 "[ . 1]" 1
355 1 44 G H4' 1 44 G H5' 1.700 . 2.700 2.473 2.469 2.478 . 0 0 "[ . 1]" 1
356 1 44 G H4' 1 44 G H5'' 1.700 . 2.700 2.374 2.368 2.380 . 0 0 "[ . 1]" 1
357 1 44 G H8 1 45 A H8 4.000 . 5.000 4.873 4.834 4.901 . 0 0 "[ . 1]" 1
358 1 44 G HO2' 1 45 A H8 1.700 . 2.700 4.313 3.872 4.979 2.279 2 10 [*+-*******] 1
359 1 44 G H3' 1 45 A H8 2.300 . 3.300 3.254 3.191 3.308 0.008 7 0 "[ . 1]" 1
360 1 45 A H8 1 45 A HO2' 3.000 . 4.000 5.463 5.088 5.556 1.556 10 10 [*****-***+] 1
361 1 45 A H3' 1 45 A H8 2.000 . 3.000 3.010 2.980 3.065 0.065 9 0 "[ . 1]" 1
362 1 45 A H3' 1 45 A H5'' 2.300 . 3.300 3.015 3.004 3.034 . 0 0 "[ . 1]" 1
363 1 45 A H4' 1 45 A H5' 1.700 . 2.700 2.468 2.465 2.473 . 0 0 "[ . 1]" 1
364 1 45 A H4' 1 45 A H5'' 1.700 . 2.700 2.382 2.377 2.385 . 0 0 "[ . 1]" 1
365 1 45 A H2 1 46 G H1' 4.000 . 5.000 3.725 3.584 3.872 . 0 0 "[ . 1]" 1
366 1 35 C H1' 1 45 A H2 4.000 . 5.000 3.677 3.533 3.895 . 0 0 "[ . 1]" 1
367 1 45 A H8 1 46 G H8 4.000 . 5.000 4.610 4.567 4.681 . 0 0 "[ . 1]" 1
368 1 45 A HO2' 1 46 G H8 1.700 . 2.700 4.236 4.013 5.042 2.342 6 10 [-****+****] 1
369 1 45 A H3' 1 46 G H8 2.300 . 3.300 3.285 3.220 3.343 0.043 7 0 "[ . 1]" 1
370 1 46 G H8 1 46 G HO2' 3.000 . 4.000 5.395 5.127 5.470 1.470 8 10 [****-**+**] 1
371 1 46 G H3' 1 46 G H8 2.000 . 3.000 3.092 3.067 3.110 0.110 2 0 "[ . 1]" 1
372 1 46 G H3' 1 46 G H5'' 2.300 . 3.300 3.065 3.053 3.079 . 0 0 "[ . 1]" 1
373 1 46 G H4' 1 46 G H5' 1.700 . 2.700 2.475 2.469 2.481 . 0 0 "[ . 1]" 1
374 1 46 G H4' 1 46 G H5'' 1.700 . 2.700 2.370 2.366 2.374 . 0 0 "[ . 1]" 1
375 1 46 G H8 1 47 G H8 4.000 . 5.000 4.883 4.784 5.037 0.037 7 0 "[ . 1]" 1
376 1 46 G H3' 1 47 G H8 2.300 . 3.300 3.775 3.707 3.829 0.529 5 4 "[ *+ * -]" 1
377 1 47 G H8 1 47 G HO2' 3.000 . 4.000 5.179 5.094 5.255 1.255 2 10 [*+***-****] 1
378 1 47 G H3' 1 47 G H8 2.000 . 3.000 3.387 3.247 3.511 0.511 8 1 "[ . + 1]" 1
379 1 47 G H3' 1 47 G H5'' 2.300 . 3.300 2.982 2.914 3.040 . 0 0 "[ . 1]" 1
380 1 47 G H4' 1 47 G H5' 1.700 . 2.700 2.451 2.437 2.464 . 0 0 "[ . 1]" 1
381 1 47 G H4' 1 47 G H5'' 1.700 . 2.700 2.391 2.373 2.403 . 0 0 "[ . 1]" 1
382 1 47 G H8 1 48 U H6 4.000 . 5.000 5.601 5.484 5.756 0.756 10 7 "[ -**** *+]" 1
383 1 47 G H8 1 48 U H5 4.000 . 5.000 4.510 4.160 4.824 . 0 0 "[ . 1]" 1
384 1 47 G H3' 1 48 U H6 2.300 . 3.300 4.067 3.922 4.211 0.911 10 10 [-********+] 1
385 1 48 U H6 1 48 U HO2' 3.000 . 4.000 4.337 4.167 4.583 0.583 8 2 "[ - + 1]" 1
386 1 48 U H3' 1 48 U H6 2.000 . 3.000 2.794 2.547 3.108 0.108 2 0 "[ . 1]" 1
387 1 50 A H8 1 50 A HO2' 3.000 . 4.000 5.235 5.123 5.483 1.483 10 10 [***-*****+] 1
388 1 50 A H3' 1 50 A H8 2.000 . 3.000 3.099 3.058 3.162 0.162 8 0 "[ . 1]" 1
389 1 50 A H2 1 51 A H1' 5.000 3.500 6.000 4.403 4.193 4.574 . 0 0 "[ . 1]" 1
390 1 50 A H8 1 51 A H8 4.000 3.000 5.000 5.192 5.155 5.325 0.325 10 0 "[ . 1]" 1
391 1 29 G H1 1 50 A H2 5.500 4.500 6.500 7.042 6.893 7.217 0.717 10 6 "[ * ** - *+]" 1
392 1 51 A H8 1 51 A HO2' 3.000 . 4.000 5.267 5.157 5.561 1.561 6 10 [*****+**-*] 1
393 1 51 A H3' 1 51 A H8 2.000 . 3.000 3.153 3.060 3.217 0.217 10 0 "[ . 1]" 1
394 1 18 A H1' 1 51 A H2 6.500 5.500 7.500 6.891 6.728 7.088 . 0 0 "[ . 1]" 1
395 1 28 G H1 1 51 A H2 6.000 5.000 7.000 7.643 7.510 7.853 0.853 7 10 [****-*+***] 1
396 1 52 A H8 1 52 A HO2' 3.000 . 4.000 5.377 5.171 5.576 1.576 9 10 [******-*+*] 1
397 1 52 A H3' 1 52 A H8 2.000 . 3.000 3.189 3.124 3.316 0.316 10 0 "[ . 1]" 1
398 1 33 C H1' 1 52 A H2 4.000 2.500 5.500 3.914 3.280 4.439 . 0 0 "[ . 1]" 1
399 1 52 A H2 1 53 A H1' 4.000 3.000 5.000 4.013 3.773 4.214 . 0 0 "[ . 1]" 1
400 1 52 A H8 1 53 A H8 4.000 3.000 5.000 4.208 3.948 4.551 . 0 0 "[ . 1]" 1
401 1 53 A H8 1 53 A HO2' 3.000 . 4.000 5.457 5.060 5.665 1.665 9 10 [**-*****+*] 1
402 1 53 A H3' 1 53 A H8 2.000 . 3.000 3.045 2.948 3.147 0.147 2 0 "[ . 1]" 1
403 1 32 C H1' 1 53 A H2 5.000 4.000 6.000 4.053 3.816 4.731 0.184 1 0 "[ . 1]" 1
404 1 53 A H2 1 54 A H1' 5.000 3.500 6.000 3.975 3.415 4.676 0.085 7 0 "[ . 1]" 1
405 1 53 A H8 1 54 A H8 4.000 3.000 5.000 4.992 4.645 5.243 0.243 10 0 "[ . 1]" 1
406 1 54 A H8 1 54 A HO2' 3.000 . 4.000 5.256 5.008 5.551 1.551 4 10 [***+*****-] 1
407 1 54 A H3' 1 54 A H8 2.000 . 3.000 3.043 2.842 3.202 0.202 6 0 "[ . 1]" 1
408 1 54 A H2 1 55 A H1' 5.000 3.500 6.000 3.484 3.193 3.971 0.307 10 0 "[ . 1]" 1
409 1 55 A H2 1 56 C H1' 5.000 3.500 6.000 5.870 5.743 5.986 . 0 0 "[ . 1]" 1
410 1 50 A H1' 1 55 A H2 5.000 3.500 6.000 5.514 5.344 5.978 . 0 0 "[ . 1]" 1
411 1 30 G H4' 1 55 A Q5' 5.000 5.000 10.000 4.270 4.032 4.381 0.968 10 10 [*-*******+] 1
412 1 31 G H4' 1 55 A Q5' 5.000 5.000 10.000 4.057 3.670 4.465 1.330 7 10 [***-**+***] 1
413 1 57 G H8 1 57 G HO2' 3.000 . 4.000 5.308 5.135 5.469 1.469 5 10 [****+***-*] 1
414 1 57 G H3' 1 57 G H8 2.000 . 3.000 3.117 3.082 3.139 0.139 1 0 "[ . 1]" 1
415 1 57 G H3' 1 57 G H5'' 2.300 . 3.300 3.035 3.016 3.052 . 0 0 "[ . 1]" 1
416 1 57 G H4' 1 57 G H5' 1.700 . 2.700 2.483 2.477 2.488 . 0 0 "[ . 1]" 1
417 1 57 G H4' 1 57 G H5'' 1.700 . 2.700 2.372 2.365 2.378 . 0 0 "[ . 1]" 1
418 1 57 G H8 1 58 U H6 4.000 . 5.000 4.565 4.540 4.588 . 0 0 "[ . 1]" 1
419 1 57 G H8 1 58 U H5 4.000 . 5.000 3.997 3.922 4.029 . 0 0 "[ . 1]" 1
420 1 57 G HO2' 1 58 U H6 1.700 . 2.700 4.448 4.055 4.884 2.184 3 10 [**+*-*****] 1
421 1 57 G H3' 1 58 U H6 2.300 . 3.300 3.058 3.012 3.088 . 0 0 "[ . 1]" 1
422 1 58 U H6 1 58 U HO2' 3.000 . 4.000 5.239 4.934 5.368 1.368 9 10 [*******-+*] 1
423 1 58 U H3' 1 58 U H6 2.000 . 3.000 2.964 2.948 2.987 . 0 0 "[ . 1]" 1
424 1 58 U H3' 1 58 U H5'' 2.300 . 3.300 3.015 3.005 3.025 . 0 0 "[ . 1]" 1
425 1 58 U H4' 1 58 U H5' 1.700 . 2.700 2.463 2.453 2.470 . 0 0 "[ . 1]" 1
426 1 58 U H4' 1 58 U H5'' 1.700 . 2.700 2.389 2.380 2.400 . 0 0 "[ . 1]" 1
427 1 58 U H6 1 59 C H5 4.000 . 5.000 4.247 4.209 4.290 . 0 0 "[ . 1]" 1
428 1 58 U H6 1 59 C H6 4.000 . 5.000 4.856 4.836 4.883 . 0 0 "[ . 1]" 1
429 1 58 U HO2' 1 59 C H6 1.700 . 2.700 3.874 3.643 4.662 1.962 8 10 [*******+*-] 1
430 1 58 U H3' 1 59 C H6 2.300 . 3.300 3.287 3.256 3.310 0.010 10 0 "[ . 1]" 1
431 1 59 C H6 1 59 C HO2' 3.000 . 4.000 5.256 5.232 5.305 1.305 2 10 [*+******-*] 1
432 1 59 C H3' 1 59 C H6 2.000 . 3.000 2.806 2.784 2.820 . 0 0 "[ . 1]" 1
433 1 59 C H3' 1 59 C H5'' 2.300 . 3.300 3.006 2.995 3.016 . 0 0 "[ . 1]" 1
434 1 59 C H4' 1 59 C H5' 1.700 . 2.700 2.475 2.473 2.479 . 0 0 "[ . 1]" 1
435 1 59 C H4' 1 59 C H5'' 1.700 . 2.700 2.379 2.376 2.384 . 0 0 "[ . 1]" 1
436 1 59 C H6 1 60 U H5 4.000 . 5.000 3.730 3.615 3.801 . 0 0 "[ . 1]" 1
437 1 59 C H6 1 60 U H6 4.000 . 5.000 4.452 4.361 4.501 . 0 0 "[ . 1]" 1
438 1 59 C HO2' 1 60 U H6 1.700 . 2.700 4.381 4.155 4.470 1.770 10 10 [**-******+] 1
439 1 59 C H3' 1 60 U H6 2.300 . 3.300 3.276 3.181 3.335 0.035 10 0 "[ . 1]" 1
440 1 60 U H6 1 60 U HO2' 3.000 . 4.000 5.073 4.895 5.190 1.190 2 10 [*+****-***] 1
441 1 60 U H3' 1 60 U H6 2.000 . 3.000 2.803 2.768 2.887 . 0 0 "[ . 1]" 1
442 1 60 U H3' 1 60 U H5'' 2.300 . 3.300 3.022 2.997 3.035 . 0 0 "[ . 1]" 1
443 1 60 U H4' 1 60 U H5' 1.700 . 2.700 2.503 2.495 2.509 . 0 0 "[ . 1]" 1
444 1 60 U H4' 1 60 U H5'' 1.700 . 2.700 2.357 2.343 2.365 . 0 0 "[ . 1]" 1
445 1 60 U H6 1 61 A H8 4.000 . 5.000 4.394 4.241 4.647 . 0 0 "[ . 1]" 1
446 1 60 U H3' 1 61 A H8 2.300 . 3.300 3.263 3.147 3.328 0.028 5 0 "[ . 1]" 1
447 1 61 A H8 1 61 A HO2' 3.000 . 4.000 4.445 4.287 4.528 0.528 2 4 "[*+* . -]" 1
448 1 61 A H3' 1 61 A H8 2.000 . 3.000 3.952 3.722 4.070 1.070 10 10 [**-******+] 1
449 1 7 G H1' 1 61 A H2 4.000 3.000 5.000 5.461 5.342 5.527 0.527 5 2 "[- + 1]" 1
450 1 61 A H4' 1 62 G H1' 3.300 2.300 4.300 3.962 3.943 3.981 . 0 0 "[ . 1]" 1
451 1 61 A H1' 1 62 G H8 3.300 2.800 4.300 3.245 3.166 3.383 . 0 0 "[ . 1]" 1
452 1 61 A HO2' 1 62 G H8 3.500 3.500 13.500 4.117 3.958 4.335 . 0 0 "[ . 1]" 1
453 1 62 G H8 1 62 G HO2' 3.000 . 4.000 5.117 4.958 5.534 1.534 9 10 [******-*+*] 1
454 1 62 G H3' 1 62 G H8 2.000 . 3.000 3.259 3.213 3.279 0.279 5 0 "[ . 1]" 1
455 1 62 G H3' 1 62 G H5'' 2.300 . 3.300 2.637 2.614 2.689 . 0 0 "[ . 1]" 1
456 1 62 G H4' 1 62 G H5' 1.700 . 2.700 2.330 2.309 2.343 . 0 0 "[ . 1]" 1
457 1 62 G H4' 1 62 G H5'' 1.700 . 2.700 2.560 2.547 2.578 . 0 0 "[ . 1]" 1
458 1 62 G H8 1 63 G H8 4.000 . 5.000 4.964 4.883 4.993 . 0 0 "[ . 1]" 1
459 1 62 G HO2' 1 63 G H8 1.700 . 2.700 4.417 3.901 4.620 1.920 6 10 [*****+**-*] 1
460 1 62 G H3' 1 63 G H8 2.300 . 3.300 2.710 2.682 2.742 . 0 0 "[ . 1]" 1
461 1 63 G H8 1 63 G HO2' 3.000 . 4.000 5.354 5.322 5.516 1.516 1 10 [+*-*******] 1
462 1 63 G H3' 1 63 G H8 2.000 . 3.000 2.985 2.963 3.010 0.010 7 0 "[ . 1]" 1
463 1 63 G H3' 1 63 G H5'' 2.300 . 3.300 2.970 2.959 2.984 . 0 0 "[ . 1]" 1
464 1 63 G H4' 1 63 G H5' 1.700 . 2.700 2.499 2.495 2.504 . 0 0 "[ . 1]" 1
465 1 63 G H4' 1 63 G H5'' 1.700 . 2.700 2.351 2.344 2.356 . 0 0 "[ . 1]" 1
466 1 63 G H8 1 64 C H6 4.000 . 5.000 4.925 4.904 4.949 . 0 0 "[ . 1]" 1
467 1 63 G H8 1 64 C H5 4.000 . 5.000 3.850 3.801 3.880 . 0 0 "[ . 1]" 1
468 1 63 G HO2' 1 64 C H6 1.700 . 2.700 4.264 3.981 4.344 1.644 10 10 [-********+] 1
469 1 63 G H3' 1 64 C H6 2.300 . 3.300 2.928 2.902 2.971 . 0 0 "[ . 1]" 1
470 1 64 C H6 1 64 C HO2' 3.000 . 4.000 5.070 4.818 5.424 1.424 9 10 [****-***+*] 1
471 1 64 C H3' 1 64 C H6 2.000 . 3.000 2.698 2.683 2.713 . 0 0 "[ . 1]" 1
472 1 64 C H3' 1 64 C H5'' 2.300 . 3.300 3.034 3.030 3.041 . 0 0 "[ . 1]" 1
473 1 64 C H4' 1 64 C H5' 1.700 . 2.700 2.498 2.495 2.501 . 0 0 "[ . 1]" 1
474 1 64 C H4' 1 64 C H5'' 1.700 . 2.700 2.359 2.356 2.361 . 0 0 "[ . 1]" 1
475 1 64 C H6 1 65 C H5 4.000 . 5.000 3.917 3.892 3.933 . 0 0 "[ . 1]" 1
476 1 64 C H6 1 65 C H6 4.000 . 5.000 4.814 4.803 4.823 . 0 0 "[ . 1]" 1
477 1 64 C HO2' 1 65 C H6 1.700 . 2.700 4.184 3.503 4.654 1.954 6 10 [*****+*-**] 1
478 1 64 C H3' 1 65 C H6 2.300 . 3.300 3.213 3.197 3.225 . 0 0 "[ . 1]" 1
479 1 65 C H6 1 65 C HO2' 3.000 . 4.000 5.270 4.883 5.417 1.417 4 10 [***+**-***] 1
480 1 65 C H3' 1 65 C H6 2.000 . 3.000 2.742 2.731 2.756 . 0 0 "[ . 1]" 1
481 1 65 C H3' 1 65 C H5'' 2.300 . 3.300 3.053 3.050 3.056 . 0 0 "[ . 1]" 1
482 1 65 C H4' 1 65 C H5' 1.700 . 2.700 2.492 2.490 2.494 . 0 0 "[ . 1]" 1
483 1 65 C H4' 1 65 C H5'' 1.700 . 2.700 2.359 2.357 2.361 . 0 0 "[ . 1]" 1
484 1 65 C H6 1 66 C H5 4.000 . 5.000 3.993 3.976 4.018 . 0 0 "[ . 1]" 1
485 1 65 C H6 1 66 C H6 4.000 . 5.000 4.796 4.782 4.817 . 0 0 "[ . 1]" 1
486 1 65 C HO2' 1 66 C H6 1.700 . 2.700 3.745 3.455 4.588 1.888 7 10 [******+-**] 1
487 1 65 C H3' 1 66 C H6 2.300 . 3.300 3.270 3.252 3.282 . 0 0 "[ . 1]" 1
488 1 66 C H6 1 66 C HO2' 3.000 . 4.000 5.118 4.855 5.399 1.399 7 10 [*****-+***] 1
489 1 66 C H3' 1 66 C H6 2.000 . 3.000 2.795 2.787 2.801 . 0 0 "[ . 1]" 1
490 1 66 C H3' 1 66 C H5'' 2.300 . 3.300 3.050 3.042 3.055 . 0 0 "[ . 1]" 1
491 1 66 C H4' 1 66 C H5' 1.700 . 2.700 2.486 2.483 2.488 . 0 0 "[ . 1]" 1
492 1 66 C H4' 1 66 C H5'' 1.700 . 2.700 2.363 2.359 2.367 . 0 0 "[ . 1]" 1
493 1 66 C H6 1 67 C H5 4.000 . 5.000 4.068 4.058 4.083 . 0 0 "[ . 1]" 1
494 1 66 C H6 1 67 C H6 4.000 . 5.000 4.847 4.840 4.862 . 0 0 "[ . 1]" 1
495 1 66 C HO2' 1 67 C H6 1.700 . 2.700 4.049 3.427 4.648 1.948 6 10 [*****+-***] 1
496 1 66 C H3' 1 67 C H6 2.300 . 3.300 3.341 3.334 3.348 0.048 6 0 "[ . 1]" 1
497 1 67 C H6 1 67 C HO2' 3.000 . 4.000 5.064 4.890 5.421 1.421 5 10 [-***+*****] 1
498 1 67 C H3' 1 67 C H6 2.000 . 3.000 2.831 2.817 2.844 . 0 0 "[ . 1]" 1
499 1 67 C H3' 1 67 C H5'' 2.300 . 3.300 3.033 3.026 3.038 . 0 0 "[ . 1]" 1
500 1 67 C H4' 1 67 C H5' 1.700 . 2.700 2.488 2.486 2.491 . 0 0 "[ . 1]" 1
501 1 67 C H4' 1 67 C H5'' 1.700 . 2.700 2.361 2.360 2.363 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 183
_Distance_constraint_stats_list.Viol_count 103
_Distance_constraint_stats_list.Viol_total 339.746
_Distance_constraint_stats_list.Viol_max 1.764
_Distance_constraint_stats_list.Viol_rms 0.1762
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0186
_Distance_constraint_stats_list.Viol_average_violations_only 0.3299
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 G 0.001 0.001 9 0 "[ . 1]"
1 2 G 0.002 0.001 9 0 "[ . 1]"
1 3 G 0.002 0.001 8 0 "[ . 1]"
1 4 G 0.003 0.001 3 0 "[ . 1]"
1 5 C 0.000 0.000 . 0 "[ . 1]"
1 6 U 0.019 0.006 2 0 "[ . 1]"
1 10 G 0.002 0.002 6 0 "[ . 1]"
1 11 G 0.001 0.001 7 0 "[ . 1]"
1 12 A 0.000 0.000 . 0 "[ . 1]"
1 13 U 0.009 0.003 7 0 "[ . 1]"
1 14 G 0.000 0.000 . 0 "[ . 1]"
1 15 C 0.000 0.000 8 0 "[ . 1]"
1 16 C 0.002 0.001 3 0 "[ . 1]"
1 17 C 0.012 0.006 5 0 "[ . 1]"
1 18 A 0.000 0.000 . 0 "[ . 1]"
1 19 G 0.001 0.000 10 0 "[ . 1]"
1 20 A 0.004 0.002 6 0 "[ . 1]"
1 21 G 17.106 1.764 5 10 [****+**-**]
1 23 G 17.106 1.764 5 10 [****+**-**]
1 24 A 0.000 0.000 . 0 "[ . 1]"
1 25 U 0.004 0.002 6 0 "[ . 1]"
1 26 C 0.001 0.000 10 0 "[ . 1]"
1 27 U 0.000 0.000 . 0 "[ . 1]"
1 28 G 0.012 0.006 5 0 "[ . 1]"
1 29 G 0.002 0.001 3 0 "[ . 1]"
1 30 G 0.000 0.000 8 0 "[ . 1]"
1 31 G 0.001 0.001 4 0 "[ . 1]"
1 32 C 0.003 0.002 3 0 "[ . 1]"
1 33 C 0.005 0.003 9 0 "[ . 1]"
1 34 U 0.000 0.000 2 0 "[ . 1]"
1 35 C 0.000 0.000 . 0 "[ . 1]"
1 36 G 0.000 0.000 . 0 "[ . 1]"
1 37 G 0.002 0.001 7 0 "[ . 1]"
1 38 G 16.776 1.754 10 10 [******-**+]
1 40 G 16.776 1.754 10 10 [******-**+]
1 41 A 0.000 0.000 . 0 "[ . 1]"
1 42 U 0.002 0.001 7 0 "[ . 1]"
1 43 C 0.000 0.000 . 0 "[ . 1]"
1 44 G 0.000 0.000 . 0 "[ . 1]"
1 45 A 0.000 0.000 2 0 "[ . 1]"
1 46 G 0.005 0.003 9 0 "[ . 1]"
1 47 G 0.006 0.002 3 0 "[ . 1]"
1 48 U 0.001 0.001 4 0 "[ . 1]"
1 49 U 0.021 0.003 2 0 "[ . 1]"
1 50 A 0.000 0.000 . 0 "[ . 1]"
1 51 A 0.000 0.000 . 0 "[ . 1]"
1 53 A 0.004 0.002 9 0 "[ . 1]"
1 55 A 0.021 0.003 2 0 "[ . 1]"
1 56 C 0.000 0.000 . 0 "[ . 1]"
1 57 G 0.009 0.003 7 0 "[ . 1]"
1 58 U 0.000 0.000 . 0 "[ . 1]"
1 59 C 0.001 0.001 7 0 "[ . 1]"
1 60 U 0.002 0.002 6 0 "[ . 1]"
1 62 G 0.019 0.006 2 0 "[ . 1]"
1 63 G 0.000 0.000 . 0 "[ . 1]"
1 64 C 0.003 0.001 3 0 "[ . 1]"
1 65 C 0.002 0.001 8 0 "[ . 1]"
1 66 C 0.002 0.001 9 0 "[ . 1]"
1 67 C 0.001 0.001 9 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 G N1 1 67 C N3 2.870 2.670 3.070 2.927 2.899 2.950 . 0 0 "[ . 1]" 2
2 1 1 G H1 1 67 C N3 1.860 . 2.060 1.926 1.899 1.947 . 0 0 "[ . 1]" 2
3 1 1 G O6 1 67 C N4 2.810 2.610 3.010 3.007 2.993 3.011 0.001 9 0 "[ . 1]" 2
4 1 1 G N2 1 67 C O2 2.810 2.610 3.010 2.745 2.707 2.787 . 0 0 "[ . 1]" 2
5 1 1 G N2 1 67 C N3 3.580 3.380 3.780 3.776 3.770 3.779 . 0 0 "[ . 1]" 2
6 1 1 G O6 1 67 C N3 3.630 3.430 3.830 3.523 3.477 3.550 . 0 0 "[ . 1]" 2
7 1 2 G N1 1 66 C N3 2.870 2.670 3.070 2.921 2.902 2.936 . 0 0 "[ . 1]" 2
8 1 2 G H1 1 66 C N3 1.860 . 2.060 1.922 1.903 1.936 . 0 0 "[ . 1]" 2
9 1 2 G O6 1 66 C N4 2.810 2.610 3.010 3.008 3.002 3.011 0.001 9 0 "[ . 1]" 2
10 1 2 G N2 1 66 C O2 2.810 2.610 3.010 2.726 2.694 2.752 . 0 0 "[ . 1]" 2
11 1 2 G N2 1 66 C N3 3.580 3.380 3.780 3.775 3.769 3.779 . 0 0 "[ . 1]" 2
12 1 2 G O6 1 66 C N3 3.630 3.430 3.830 3.518 3.494 3.538 . 0 0 "[ . 1]" 2
13 1 3 G N1 1 65 C N3 2.870 2.670 3.070 2.889 2.876 2.900 . 0 0 "[ . 1]" 2
14 1 3 G H1 1 65 C N3 1.860 . 2.060 1.884 1.873 1.894 . 0 0 "[ . 1]" 2
15 1 3 G O6 1 65 C N4 2.810 2.610 3.010 3.009 3.006 3.011 0.001 8 0 "[ . 1]" 2
16 1 3 G N2 1 65 C O2 2.810 2.610 3.010 2.658 2.636 2.681 . 0 0 "[ . 1]" 2
17 1 3 G N2 1 65 C N3 3.580 3.380 3.780 3.666 3.650 3.678 . 0 0 "[ . 1]" 2
18 1 3 G O6 1 65 C N3 3.630 3.430 3.830 3.580 3.557 3.604 . 0 0 "[ . 1]" 2
19 1 4 G N1 1 64 C N3 2.870 2.670 3.070 2.853 2.847 2.858 . 0 0 "[ . 1]" 2
20 1 4 G H1 1 64 C N3 1.860 . 2.060 1.848 1.841 1.853 . 0 0 "[ . 1]" 2
21 1 4 G O6 1 64 C N4 2.810 2.610 3.010 3.009 3.005 3.011 0.001 3 0 "[ . 1]" 2
22 1 4 G N2 1 64 C O2 2.810 2.610 3.010 2.613 2.609 2.617 0.001 2 0 "[ . 1]" 2
23 1 4 G N2 1 64 C N3 3.580 3.380 3.780 3.518 3.510 3.530 . 0 0 "[ . 1]" 2
24 1 4 G O6 1 64 C N3 3.630 3.430 3.830 3.666 3.651 3.678 . 0 0 "[ . 1]" 2
25 1 5 C N3 1 63 G N1 2.870 2.670 3.070 2.881 2.863 2.898 . 0 0 "[ . 1]" 2
26 1 5 C N3 1 63 G H1 1.860 . 2.060 1.881 1.863 1.898 . 0 0 "[ . 1]" 2
27 1 5 C N4 1 63 G O6 2.810 2.610 3.010 2.947 2.940 2.957 . 0 0 "[ . 1]" 2
28 1 5 C O2 1 63 G N2 2.810 2.610 3.010 2.846 2.817 2.872 . 0 0 "[ . 1]" 2
29 1 5 C N3 1 63 G N2 3.580 3.380 3.780 3.768 3.762 3.774 . 0 0 "[ . 1]" 2
30 1 5 C N3 1 63 G O6 3.630 3.430 3.830 3.456 3.439 3.475 . 0 0 "[ . 1]" 2
31 1 6 U H3 1 62 G O6 2.110 . 2.310 2.043 2.037 2.049 . 0 0 "[ . 1]" 2
32 1 6 U N3 1 62 G O6 3.120 2.920 3.320 3.037 3.030 3.043 . 0 0 "[ . 1]" 2
33 1 6 U O2 1 62 G H1 1.900 . 2.100 2.078 2.070 2.084 . 0 0 "[ . 1]" 2
34 1 6 U O2 1 62 G N1 2.910 2.710 3.110 3.076 3.069 3.084 . 0 0 "[ . 1]" 2
35 1 6 U O4 1 62 G O6 3.820 3.620 4.020 3.619 3.614 3.623 0.006 2 0 "[ . 1]" 2
36 1 6 U O2 1 62 G O6 3.790 3.590 3.990 3.877 3.863 3.889 . 0 0 "[ . 1]" 2
37 1 6 U N3 1 62 G N1 3.750 3.550 3.950 3.719 3.716 3.722 . 0 0 "[ . 1]" 2
38 1 6 U O2 1 62 G N2 3.460 3.260 3.660 3.660 3.657 3.662 0.002 5 0 "[ . 1]" 2
39 1 6 U O4 1 62 G N2 7.300 7.100 7.500 7.229 7.222 7.234 . 0 0 "[ . 1]" 2
40 1 10 G O6 1 60 U H3 2.110 . 2.310 2.109 2.084 2.125 . 0 0 "[ . 1]" 2
41 1 10 G O6 1 60 U N3 3.120 2.920 3.320 3.112 3.088 3.128 . 0 0 "[ . 1]" 2
42 1 10 G H1 1 60 U O2 1.900 . 2.100 2.097 2.091 2.102 0.002 6 0 "[ . 1]" 2
43 1 10 G N1 1 60 U O2 2.910 2.710 3.110 3.100 3.095 3.106 . 0 0 "[ . 1]" 2
44 1 10 G O6 1 60 U O4 3.820 3.620 4.020 3.643 3.627 3.663 . 0 0 "[ . 1]" 2
45 1 10 G O6 1 60 U O2 3.790 3.590 3.990 3.972 3.935 3.983 . 0 0 "[ . 1]" 2
46 1 10 G N1 1 60 U N3 3.750 3.550 3.950 3.721 3.714 3.739 . 0 0 "[ . 1]" 2
47 1 10 G N2 1 60 U O2 3.460 3.260 3.660 3.593 3.580 3.626 . 0 0 "[ . 1]" 2
48 1 10 G N2 1 60 U O4 7.300 7.100 7.500 7.198 7.186 7.235 . 0 0 "[ . 1]" 2
49 1 11 G N1 1 59 C N3 2.870 2.670 3.070 3.015 2.992 3.035 . 0 0 "[ . 1]" 2
50 1 11 G H1 1 59 C N3 1.860 . 2.060 2.005 1.984 2.025 . 0 0 "[ . 1]" 2
51 1 11 G O6 1 59 C N4 2.810 2.610 3.010 3.005 2.998 3.011 0.001 7 0 "[ . 1]" 2
52 1 11 G N2 1 59 C O2 2.810 2.610 3.010 3.003 2.995 3.008 . 0 0 "[ . 1]" 2
53 1 11 G N2 1 59 C N3 3.580 3.380 3.780 3.720 3.708 3.734 . 0 0 "[ . 1]" 2
54 1 11 G O6 1 59 C N3 3.630 3.430 3.830 3.723 3.695 3.766 . 0 0 "[ . 1]" 2
55 1 12 A N1 1 58 U H3 1.860 . 2.060 1.843 1.825 1.857 . 0 0 "[ . 1]" 2
56 1 12 A N1 1 58 U N3 2.870 2.670 3.070 2.847 2.830 2.861 . 0 0 "[ . 1]" 2
57 1 12 A H61 1 58 U O4 1.860 . 2.060 1.806 1.750 1.868 . 0 0 "[ . 1]" 2
58 1 12 A N6 1 58 U O4 2.870 2.670 3.070 2.769 2.723 2.820 . 0 0 "[ . 1]" 2
59 1 12 A H2 1 58 U O2 2.870 2.670 3.070 3.048 3.041 3.055 . 0 0 "[ . 1]" 2
60 1 12 A N1 1 58 U O4 3.630 3.430 3.830 3.667 3.622 3.695 . 0 0 "[ . 1]" 2
61 1 12 A N1 1 58 U O2 3.630 3.430 3.830 3.531 3.504 3.578 . 0 0 "[ . 1]" 2
62 1 13 U H3 1 57 G O6 2.110 . 2.310 2.104 2.088 2.122 . 0 0 "[ . 1]" 2
63 1 13 U N3 1 57 G O6 3.120 2.920 3.320 3.097 3.076 3.112 . 0 0 "[ . 1]" 2
64 1 13 U O2 1 57 G H1 1.900 . 2.100 2.005 1.977 2.054 . 0 0 "[ . 1]" 2
65 1 13 U O2 1 57 G N1 2.910 2.710 3.110 2.999 2.970 3.046 . 0 0 "[ . 1]" 2
66 1 13 U O4 1 57 G O6 3.820 3.620 4.020 3.697 3.663 3.734 . 0 0 "[ . 1]" 2
67 1 13 U O2 1 57 G O6 3.790 3.590 3.990 3.897 3.877 3.925 . 0 0 "[ . 1]" 2
68 1 13 U N3 1 57 G N1 3.750 3.550 3.950 3.645 3.638 3.656 . 0 0 "[ . 1]" 2
69 1 13 U O2 1 57 G N2 3.460 3.260 3.660 3.508 3.477 3.588 . 0 0 "[ . 1]" 2
70 1 13 U O4 1 57 G N2 7.300 7.100 7.500 7.101 7.097 7.109 0.003 7 0 "[ . 1]" 2
71 1 14 G N1 1 56 C N3 2.870 2.670 3.070 3.001 2.978 3.033 . 0 0 "[ . 1]" 2
72 1 14 G H1 1 56 C N3 1.860 . 2.060 2.016 1.994 2.046 . 0 0 "[ . 1]" 2
73 1 14 G O6 1 56 C N4 2.810 2.610 3.010 3.000 2.963 3.010 . 0 0 "[ . 1]" 2
74 1 14 G N2 1 56 C O2 2.810 2.610 3.010 2.972 2.923 3.008 . 0 0 "[ . 1]" 2
75 1 14 G N2 1 56 C N3 3.580 3.380 3.780 3.594 3.559 3.644 . 0 0 "[ . 1]" 2
76 1 14 G O6 1 56 C N3 3.630 3.430 3.830 3.826 3.824 3.828 . 0 0 "[ . 1]" 2
77 1 15 C N3 1 30 G N1 2.870 2.670 3.070 2.915 2.869 2.949 . 0 0 "[ . 1]" 2
78 1 15 C N3 1 30 G H1 1.860 . 2.060 1.940 1.893 1.982 . 0 0 "[ . 1]" 2
79 1 15 C N4 1 30 G O6 2.810 2.610 3.010 2.785 2.708 2.839 . 0 0 "[ . 1]" 2
80 1 15 C O2 1 30 G N2 2.810 2.610 3.010 3.004 2.993 3.010 0.000 8 0 "[ . 1]" 2
81 1 15 C N3 1 30 G N2 3.580 3.380 3.780 3.609 3.447 3.744 . 0 0 "[ . 1]" 2
82 1 15 C N3 1 30 G O6 3.630 3.430 3.830 3.675 3.517 3.828 . 0 0 "[ . 1]" 2
83 1 16 C N3 1 29 G N1 2.870 2.670 3.070 2.937 2.892 2.977 . 0 0 "[ . 1]" 2
84 1 16 C N3 1 29 G H1 1.860 . 2.060 1.967 1.930 2.034 . 0 0 "[ . 1]" 2
85 1 16 C N4 1 29 G O6 2.810 2.610 3.010 2.895 2.802 3.005 . 0 0 "[ . 1]" 2
86 1 16 C O2 1 29 G N2 2.810 2.610 3.010 3.003 2.983 3.011 0.001 6 0 "[ . 1]" 2
87 1 16 C N3 1 29 G N2 3.580 3.380 3.780 3.768 3.695 3.781 0.001 3 0 "[ . 1]" 2
88 1 16 C N3 1 29 G O6 3.630 3.430 3.830 3.556 3.508 3.612 . 0 0 "[ . 1]" 2
89 1 17 C N3 1 28 G N1 2.870 2.670 3.070 3.026 2.980 3.062 . 0 0 "[ . 1]" 2
90 1 17 C N3 1 28 G H1 1.860 . 2.060 2.026 1.978 2.056 . 0 0 "[ . 1]" 2
91 1 17 C N4 1 28 G O6 2.810 2.610 3.010 2.938 2.837 3.000 . 0 0 "[ . 1]" 2
92 1 17 C O2 1 28 G N2 2.810 2.610 3.010 3.009 3.001 3.016 0.006 5 0 "[ . 1]" 2
93 1 17 C N3 1 28 G N2 3.580 3.380 3.780 3.707 3.595 3.769 . 0 0 "[ . 1]" 2
94 1 17 C N3 1 28 G O6 3.630 3.430 3.830 3.752 3.676 3.810 . 0 0 "[ . 1]" 2
95 1 18 A N1 1 27 U H3 1.860 . 2.060 1.891 1.831 1.923 . 0 0 "[ . 1]" 2
96 1 18 A N1 1 27 U N3 2.870 2.670 3.070 2.900 2.841 2.931 . 0 0 "[ . 1]" 2
97 1 18 A H61 1 27 U O4 1.860 . 2.060 1.851 1.810 1.877 . 0 0 "[ . 1]" 2
98 1 18 A N6 1 27 U O4 2.870 2.670 3.070 2.852 2.804 2.880 . 0 0 "[ . 1]" 2
99 1 18 A H2 1 27 U O2 2.870 2.670 3.070 2.990 2.851 3.063 . 0 0 "[ . 1]" 2
100 1 18 A N1 1 27 U O4 3.630 3.430 3.830 3.624 3.582 3.646 . 0 0 "[ . 1]" 2
101 1 18 A N1 1 27 U O2 3.630 3.430 3.830 3.659 3.594 3.696 . 0 0 "[ . 1]" 2
102 1 19 G N1 1 26 C N3 2.870 2.670 3.070 2.988 2.938 3.032 . 0 0 "[ . 1]" 2
103 1 19 G H1 1 26 C N3 1.860 . 2.060 1.980 1.930 2.025 . 0 0 "[ . 1]" 2
104 1 19 G O6 1 26 C N4 2.810 2.610 3.010 2.994 2.895 3.009 . 0 0 "[ . 1]" 2
105 1 19 G N2 1 26 C O2 2.810 2.610 3.010 2.870 2.752 3.008 . 0 0 "[ . 1]" 2
106 1 19 G N2 1 26 C N3 3.580 3.380 3.780 3.575 3.509 3.638 . 0 0 "[ . 1]" 2
107 1 19 G O6 1 26 C N3 3.630 3.430 3.830 3.818 3.787 3.830 0.000 10 0 "[ . 1]" 2
108 1 20 A N1 1 25 U H3 1.860 . 2.060 1.837 1.782 1.894 . 0 0 "[ . 1]" 2
109 1 20 A N1 1 25 U N3 2.870 2.670 3.070 2.841 2.789 2.890 . 0 0 "[ . 1]" 2
110 1 20 A H61 1 25 U O4 1.860 . 2.060 1.799 1.742 1.862 . 0 0 "[ . 1]" 2
111 1 20 A N6 1 25 U O4 2.870 2.670 3.070 2.783 2.721 2.837 . 0 0 "[ . 1]" 2
112 1 20 A H2 1 25 U O2 2.870 2.670 3.070 2.948 2.801 3.042 . 0 0 "[ . 1]" 2
113 1 20 A N1 1 25 U O4 3.630 3.430 3.830 3.431 3.428 3.438 0.002 6 0 "[ . 1]" 2
114 1 20 A N1 1 25 U O2 3.630 3.430 3.830 3.753 3.679 3.828 . 0 0 "[ . 1]" 2
115 1 31 G O6 1 48 U H3 2.110 . 2.310 2.208 1.998 2.300 . 0 0 "[ . 1]" 2
116 1 31 G O6 1 48 U N3 3.120 2.920 3.320 3.185 2.975 3.282 . 0 0 "[ . 1]" 2
117 1 31 G H1 1 48 U O2 1.900 . 2.100 1.805 1.707 1.906 . 0 0 "[ . 1]" 2
118 1 31 G N1 1 48 U O2 2.910 2.710 3.110 2.802 2.710 2.896 . 0 0 "[ . 1]" 2
119 1 31 G O6 1 48 U O4 3.820 3.620 4.020 3.927 3.644 4.021 0.001 4 0 "[ . 1]" 2
120 1 31 G O6 1 48 U O2 3.790 3.590 3.990 3.811 3.669 3.947 . 0 0 "[ . 1]" 2
121 1 31 G N1 1 48 U N3 3.750 3.550 3.950 3.685 3.563 3.738 . 0 0 "[ . 1]" 2
122 1 31 G N2 1 48 U O2 3.460 3.260 3.660 3.273 3.260 3.299 . 1 0 "[ . 1]" 2
123 1 31 G N2 1 48 U O4 7.300 7.100 7.500 7.211 7.139 7.340 . 0 0 "[ . 1]" 2
124 1 32 C N3 1 47 G N1 2.870 2.670 3.070 2.971 2.887 3.061 . 0 0 "[ . 1]" 2
125 1 32 C N3 1 47 G H1 1.860 . 2.060 1.963 1.882 2.055 . 0 0 "[ . 1]" 2
126 1 32 C N4 1 47 G O6 2.810 2.610 3.010 3.007 3.003 3.012 0.002 3 0 "[ . 1]" 2
127 1 32 C O2 1 47 G N2 2.810 2.610 3.010 2.843 2.667 3.007 . 0 0 "[ . 1]" 2
128 1 32 C N3 1 47 G N2 3.580 3.380 3.780 3.566 3.447 3.695 . 0 0 "[ . 1]" 2
129 1 32 C N3 1 47 G O6 3.630 3.430 3.830 3.800 3.749 3.824 . 0 0 "[ . 1]" 2
130 1 33 C N3 1 46 G N1 2.870 2.670 3.070 2.949 2.917 2.984 . 0 0 "[ . 1]" 2
131 1 33 C N3 1 46 G H1 1.860 . 2.060 1.944 1.911 1.977 . 0 0 "[ . 1]" 2
132 1 33 C N4 1 46 G O6 2.810 2.610 3.010 2.781 2.715 2.842 . 0 0 "[ . 1]" 2
133 1 33 C O2 1 46 G N2 2.810 2.610 3.010 3.006 2.997 3.011 0.001 3 0 "[ . 1]" 2
134 1 33 C N3 1 46 G N2 3.580 3.380 3.780 3.504 3.455 3.558 . 0 0 "[ . 1]" 2
135 1 33 C N3 1 46 G O6 3.630 3.430 3.830 3.829 3.825 3.833 0.003 9 0 "[ . 1]" 2
136 1 34 U H3 1 45 A N1 1.860 . 2.060 1.863 1.841 1.883 . 0 0 "[ . 1]" 2
137 1 34 U N3 1 45 A N1 2.870 2.670 3.070 2.862 2.845 2.879 . 0 0 "[ . 1]" 2
138 1 34 U O4 1 45 A H61 1.860 . 2.060 1.712 1.678 1.738 . 0 0 "[ . 1]" 2
139 1 34 U O4 1 45 A N6 2.870 2.670 3.070 2.703 2.671 2.733 . 0 0 "[ . 1]" 2
140 1 34 U O2 1 45 A H2 2.870 2.670 3.070 3.054 3.045 3.064 . 0 0 "[ . 1]" 2
141 1 34 U O4 1 45 A N1 3.630 3.430 3.830 3.455 3.430 3.485 0.000 2 0 "[ . 1]" 2
142 1 34 U O2 1 45 A N1 3.630 3.430 3.830 3.763 3.720 3.813 . 0 0 "[ . 1]" 2
143 1 35 C N3 1 44 G N1 2.870 2.670 3.070 2.991 2.973 3.011 . 0 0 "[ . 1]" 2
144 1 35 C N3 1 44 G H1 1.860 . 2.060 1.983 1.967 2.002 . 0 0 "[ . 1]" 2
145 1 35 C N4 1 44 G O6 2.810 2.610 3.010 2.953 2.933 2.984 . 0 0 "[ . 1]" 2
146 1 35 C O2 1 44 G N2 2.810 2.610 3.010 2.934 2.861 3.001 . 0 0 "[ . 1]" 2
147 1 35 C N3 1 44 G N2 3.580 3.380 3.780 3.619 3.550 3.672 . 0 0 "[ . 1]" 2
148 1 35 C N3 1 44 G O6 3.630 3.430 3.830 3.783 3.758 3.824 . 0 0 "[ . 1]" 2
149 1 36 G N1 1 43 C N3 2.870 2.670 3.070 2.918 2.881 3.035 . 0 0 "[ . 1]" 2
150 1 36 G H1 1 43 C N3 1.860 . 2.060 1.916 1.881 2.029 . 0 0 "[ . 1]" 2
151 1 36 G O6 1 43 C N4 2.810 2.610 3.010 3.007 3.003 3.010 . 0 0 "[ . 1]" 2
152 1 36 G N2 1 43 C O2 2.810 2.610 3.010 2.720 2.645 2.952 . 0 0 "[ . 1]" 2
153 1 36 G N2 1 43 C N3 3.580 3.380 3.780 3.573 3.517 3.734 . 0 0 "[ . 1]" 2
154 1 36 G O6 1 43 C N3 3.630 3.430 3.830 3.715 3.686 3.741 . 0 0 "[ . 1]" 2
155 1 37 G O6 1 42 U H3 2.110 . 2.310 2.147 2.130 2.181 . 0 0 "[ . 1]" 2
156 1 37 G O6 1 42 U N3 3.120 2.920 3.320 3.125 3.109 3.144 . 0 0 "[ . 1]" 2
157 1 37 G H1 1 42 U O2 1.900 . 2.100 2.087 2.073 2.094 . 0 0 "[ . 1]" 2
158 1 37 G N1 1 42 U O2 2.910 2.710 3.110 3.057 3.025 3.087 . 0 0 "[ . 1]" 2
159 1 37 G O6 1 42 U O4 3.820 3.620 4.020 3.648 3.625 3.682 . 0 0 "[ . 1]" 2
160 1 37 G O6 1 42 U O2 3.790 3.590 3.990 3.988 3.983 3.991 0.001 10 0 "[ . 1]" 2
161 1 37 G N1 1 42 U N3 3.750 3.550 3.950 3.655 3.644 3.669 . 0 0 "[ . 1]" 2
162 1 37 G N2 1 42 U O2 3.460 3.260 3.660 3.509 3.458 3.555 . 0 0 "[ . 1]" 2
163 1 37 G N2 1 42 U O4 7.300 7.100 7.500 7.103 7.099 7.112 0.001 7 0 "[ . 1]" 2
164 1 49 U H3 1 55 A N1 1.860 . 1.960 1.830 1.807 1.850 . 0 0 "[ . 1]" 2
165 1 49 U N3 1 55 A N1 2.870 2.770 2.970 2.811 2.772 2.845 . 0 0 "[ . 1]" 2
166 1 49 U O4 1 55 A H61 1.860 . 1.960 1.957 1.948 1.962 0.002 8 0 "[ . 1]" 2
167 1 49 U O4 1 55 A N6 2.870 2.770 2.970 2.969 2.966 2.972 0.002 5 0 "[ . 1]" 2
168 1 49 U O2 1 55 A H2 2.890 2.790 2.990 2.789 2.787 2.791 0.003 2 0 "[ . 1]" 2
169 1 49 U O4 1 55 A N1 3.640 3.540 3.740 3.671 3.620 3.717 . 0 0 "[ . 1]" 2
170 1 49 U O2 1 55 A N1 3.550 3.450 3.650 3.473 3.461 3.492 . 0 0 "[ . 1]" 2
171 1 49 U O2 1 55 A N6 5.290 5.190 5.390 5.232 5.213 5.259 . 0 0 "[ . 1]" 2
172 1 16 C O2 1 50 A H61 1.860 . 2.060 2.026 1.995 2.039 . 0 0 "[ . 1]" 2
173 1 16 C O2 1 50 A N6 2.870 2.670 3.070 2.817 2.676 2.935 . 0 0 "[ . 1]" 2
174 1 17 C O2 1 51 A H61 1.860 . 2.060 2.046 2.028 2.059 . 0 0 "[ . 1]" 2
175 1 17 C O2 1 51 A N6 2.870 2.670 3.070 2.976 2.919 3.023 . 0 0 "[ . 1]" 2
176 1 47 G H22 1 53 A N1 1.860 . 2.060 2.057 2.046 2.062 0.002 9 0 "[ . 1]" 2
177 1 47 G N2 1 53 A N1 2.870 2.670 3.070 2.911 2.807 3.052 . 0 0 "[ . 1]" 2
178 1 21 G H22 1 24 A N7 1.860 . 2.160 2.085 2.061 2.110 . 0 0 "[ . 1]" 2
179 1 21 G N2 1 24 A N7 2.870 2.570 3.170 3.047 3.013 3.075 . 0 0 "[ . 1]" 2
180 1 21 G H2' 1 23 G N7 1.860 . 2.160 3.871 3.824 3.924 1.764 5 10 [****+**-**] 2
181 1 38 G H22 1 41 A N7 1.860 . 2.160 2.109 2.102 2.116 . 0 0 "[ . 1]" 2
182 1 38 G N2 1 41 A N7 2.870 2.570 3.170 3.056 3.043 3.069 . 0 0 "[ . 1]" 2
183 1 38 G H2' 1 40 G N7 1.860 . 2.160 3.838 3.782 3.914 1.754 10 10 [******-**+] 2
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