NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
648169 |
6mxq   |
30533 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6mxq
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 502
_Distance_constraint_stats_list.Viol_count 840
_Distance_constraint_stats_list.Viol_total 22393.975
_Distance_constraint_stats_list.Viol_max 18.998
_Distance_constraint_stats_list.Viol_rms 2.2879
_Distance_constraint_stats_list.Viol_average_all_restraints 0.4461
_Distance_constraint_stats_list.Viol_average_violations_only 2.6659
_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 260.785 14.987 2 10 [*+**-*****]
1 2 G 281.486 16.170 2 10 [*+******-*]
1 3 C 130.553 13.869 3 10 [**+**-****]
1 4 A 0.000 0.000 . 0 "[ . 1]"
1 5 G 5.101 0.786 6 3 "[ * .+ *1]"
1 6 U 6.978 0.786 6 3 "[ * .+ *1]"
1 7 A 1.128 0.251 7 0 "[ . 1]"
1 8 U 10.981 1.556 9 9 "[*** ***-+*]"
1 9 A 542.357 16.317 4 10 [***+***-**]
1 10 G 15.203 2.014 9 10 [********+-]
1 11 U 24.394 2.014 9 10 [********+-]
1 12 C 196.406 18.967 10 10 [**-******+]
1 13 C 4.010 0.658 4 6 "[ +** **-]"
1 14 G 19.560 2.230 8 10 [*******+**]
1 15 A 538.889 18.998 2 10 [*+******-*]
1 29 U 320.477 18.998 2 10 [*+*******-]
1 30 U 230.633 13.980 2 10 [*+********]
1 31 C 26.318 1.959 6 10 [*-***+****]
1 32 A 205.388 18.967 10 10 [********-+]
1 33 C 23.192 2.452 3 8 "[**+ * **-*]"
1 34 C 15.905 1.621 10 10 [********-+]
1 35 U 150.344 15.580 4 10 [***+*****-]
1 36 U 397.564 16.317 4 10 [***+-*****]
1 37 C 28.328 2.628 8 10 [*******+**]
1 38 U 21.152 2.628 8 10 [*-*****+**]
1 39 C 12.946 0.963 10 5 "[ -* * *+]"
1 40 U 14.081 1.457 4 10 [**-+******]
1 41 C 37.260 1.595 10 10 [***-*****+]
1 42 U 152.409 13.869 3 10 [**+****-**]
1 43 A 438.337 16.170 2 10 [*+-*******]
1 44 A 138.052 12.016 2 10 [*+******-*]
1 45 C 27.145 1.582 9 10 [********+*]
1 46 U 23.871 1.508 7 10 [*****-+***]
1 47 G 20.645 1.508 7 10 [***-**+***]
1 48 C 27.257 1.567 6 10 [***-*+****]
1 49 C 28.209 1.567 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 15 A Q6 1 29 U H3 2.500 2.300 3.200 17.292 16.510 18.308 15.108 5 10 [****+****-] 1
2 1 15 A H2 1 29 U H3 2.500 . 3.200 20.982 19.927 22.198 18.998 2 10 [*+*******-] 1
3 1 37 C H5 1 37 C H6 2.500 . 3.200 2.441 2.440 2.441 . 0 0 "[ . 1]" 1
4 1 45 C H5 1 45 C H6 2.500 . 3.200 2.440 2.439 2.440 . 0 0 "[ . 1]" 1
5 1 47 G H1 1 47 G H21 2.500 . 3.200 2.194 2.193 2.195 . 0 0 "[ . 1]" 1
6 1 48 C H5 1 48 C H6 2.500 . 3.200 2.439 2.439 2.440 . 0 0 "[ . 1]" 1
7 1 9 A Q6 1 36 U H3 3.500 2.300 4.700 14.581 13.768 15.344 10.644 4 10 [***+*-****] 1
8 1 45 C H42 1 45 C H5 3.500 2.300 4.700 2.421 2.421 2.422 . 0 0 "[ . 1]" 1
9 1 47 G H1 1 47 G H22 3.500 2.300 4.700 3.462 3.461 3.462 . 0 0 "[ . 1]" 1
10 1 15 A Q6 1 30 U H3 4.500 2.900 6.100 14.996 14.140 15.891 9.791 5 10 [****+***-*] 1
11 1 29 U H3 1 30 U H3 4.500 2.900 6.100 3.803 3.658 3.865 . 0 0 "[ . 1]" 1
12 1 29 U H3 1 30 U H5 4.500 2.900 6.100 4.298 4.180 4.408 . 0 0 "[ . 1]" 1
13 1 29 U H3 1 30 U H6 4.500 2.900 6.100 4.705 4.647 4.758 . 0 0 "[ . 1]" 1
14 1 29 U H3 1 29 U H5 4.500 2.900 6.100 4.198 4.198 4.199 . 0 0 "[ . 1]" 1
15 1 15 A H2 1 30 U H3 4.500 2.900 6.100 18.986 17.934 20.080 13.980 2 10 [*+*******-] 1
16 1 30 U H3 1 30 U H5 4.500 2.900 6.100 4.201 4.200 4.201 . 0 0 "[ . 1]" 1
17 1 30 U H3 1 30 U H6 4.500 2.900 6.100 4.776 4.775 4.776 . 0 0 "[ . 1]" 1
18 1 30 U H3 1 31 C H5 4.500 2.900 6.100 4.314 4.227 4.414 . 0 0 "[ . 1]" 1
19 1 30 U H3 1 31 C H41 4.500 2.900 6.100 4.215 4.081 4.335 . 0 0 "[ . 1]" 1
20 1 9 A H2 1 35 U H3 4.500 2.900 6.100 20.776 19.708 21.680 15.580 4 10 [***+*-****] 1
21 1 35 U H3 1 35 U H6 4.500 2.900 6.100 4.774 4.773 4.775 . 0 0 "[ . 1]" 1
22 1 35 U H3 1 36 U H3 4.500 2.900 6.100 3.733 3.668 3.857 . 0 0 "[ . 1]" 1
23 1 9 A H2 1 36 U H3 4.500 2.900 6.100 19.324 18.612 20.056 13.956 4 10 [***+*-****] 1
24 1 36 U H3 1 36 U H5 4.500 2.900 6.100 4.203 4.202 4.204 . 0 0 "[ . 1]" 1
25 1 36 U H3 1 37 C H1' 4.500 2.900 6.100 5.026 4.866 5.177 . 0 0 "[ . 1]" 1
26 1 36 U H3 1 37 C H41 4.500 2.900 6.100 4.016 3.836 4.242 . 0 0 "[ . 1]" 1
27 1 36 U H3 1 37 C H5 4.500 2.900 6.100 4.203 4.057 4.375 . 0 0 "[ . 1]" 1
28 1 36 U H3 1 37 C H42 4.500 2.900 6.100 4.145 3.949 4.360 . 0 0 "[ . 1]" 1
29 1 37 C H41 1 37 C H5 4.500 2.900 6.100 3.678 3.677 3.679 . 0 0 "[ . 1]" 1
30 1 37 C H42 1 37 C H5 4.500 2.900 6.100 2.421 2.420 2.422 0.480 4 0 "[ . 1]" 1
31 1 40 U H1' 1 40 U H3 4.500 2.900 6.100 4.569 4.560 4.579 . 0 0 "[ . 1]" 1
32 1 40 U H3 1 40 U H5 4.500 2.900 6.100 4.202 4.200 4.203 . 0 0 "[ . 1]" 1
33 1 40 U H3 1 40 U H6 4.500 2.900 6.100 4.774 4.773 4.775 . 0 0 "[ . 1]" 1
34 1 40 U H3 1 41 C H5 4.500 2.900 6.100 4.775 4.585 4.967 . 0 0 "[ . 1]" 1
35 1 40 U H3 1 41 C H41 4.500 2.900 6.100 4.434 4.193 4.721 . 0 0 "[ . 1]" 1
36 1 40 U H3 1 41 C H42 4.500 2.900 6.100 4.805 4.514 5.116 . 0 0 "[ . 1]" 1
37 1 41 C H41 1 41 C H5 4.500 2.900 6.100 3.679 3.678 3.679 . 0 0 "[ . 1]" 1
38 1 41 C H42 1 41 C H5 4.500 2.900 6.100 2.422 2.421 2.423 0.479 5 0 "[ . 1]" 1
39 1 42 U H3 1 43 A H1' 4.500 2.900 6.100 5.263 4.986 5.541 . 0 0 "[ . 1]" 1
40 1 3 C H1' 1 42 U H3 4.500 2.900 6.100 19.155 18.151 19.969 13.869 3 10 [**+**-****] 1
41 1 41 C H41 1 42 U H3 4.500 2.900 6.100 4.198 4.038 4.356 . 0 0 "[ . 1]" 1
42 1 41 C H42 1 42 U H3 4.500 2.900 6.100 5.451 5.272 5.622 . 0 0 "[ . 1]" 1
43 1 42 U H3 1 42 U H5 4.500 2.900 6.100 4.199 4.198 4.200 . 0 0 "[ . 1]" 1
44 1 42 U H3 1 43 A H2 4.500 2.900 6.100 5.643 5.360 6.147 0.047 3 0 "[ . 1]" 1
45 1 42 U H3 1 43 A H8 4.500 2.900 6.100 4.270 3.849 4.500 . 0 0 "[ . 1]" 1
46 1 45 C H41 1 45 C H5 4.500 2.900 6.100 3.677 3.677 3.678 . 0 0 "[ . 1]" 1
47 1 45 C H41 1 46 U H3 4.500 2.900 6.100 3.853 3.758 3.911 . 0 0 "[ . 1]" 1
48 1 45 C H5 1 46 U H3 4.500 2.900 6.100 6.242 6.155 6.300 0.200 8 0 "[ . 1]" 1
49 1 46 U H1' 1 46 U H3 4.500 2.900 6.100 4.573 4.571 4.576 . 0 0 "[ . 1]" 1
50 1 46 U H3 1 46 U H5 4.500 2.900 6.100 4.201 4.200 4.201 . 0 0 "[ . 1]" 1
51 1 46 U H3 1 47 G H1 4.500 2.900 6.100 4.745 4.701 4.802 . 0 0 "[ . 1]" 1
52 1 46 U H3 1 47 G H1' 4.500 2.900 6.100 5.113 5.071 5.146 . 0 0 "[ . 1]" 1
53 1 47 G H1 1 48 C H1' 4.500 2.900 6.100 5.099 5.042 5.163 . 0 0 "[ . 1]" 1
54 1 47 G H1 1 48 C H41 4.500 2.900 6.100 3.992 3.844 4.049 . 0 0 "[ . 1]" 1
55 1 47 G H1 1 48 C H42 4.500 2.900 6.100 4.785 4.635 4.842 . 0 0 "[ . 1]" 1
56 1 48 C H41 1 48 C H5 4.500 2.900 6.100 3.677 3.677 3.678 . 0 0 "[ . 1]" 1
57 1 48 C H42 1 48 C H5 4.500 2.900 6.100 2.422 2.421 2.423 0.479 7 0 "[ . 1]" 1
58 1 1 G H1' 1 1 G HO2' 2.500 . 3.200 3.332 3.003 3.530 0.330 9 0 "[ . 1]" 1
59 1 1 G HO2' 1 2 G H8 2.500 . 3.200 2.605 2.272 2.760 . 0 0 "[ . 1]" 1
60 1 1 G H1' 1 2 G H8 4.500 2.900 6.100 2.827 2.787 2.859 0.113 10 0 "[ . 1]" 1
61 1 1 G H1' 1 43 A H2 4.500 2.900 6.100 20.110 19.259 21.087 14.987 2 10 [*+******-*] 1
62 1 1 G HO2' 1 2 G H1' 4.500 2.900 6.100 6.206 5.797 6.412 0.312 9 0 "[ . 1]" 1
63 1 1 G H1' 1 1 G H3' 4.500 2.900 6.100 3.768 3.752 3.777 . 0 0 "[ . 1]" 1
64 1 1 G H3' 1 2 G H8 4.500 2.900 6.100 4.611 4.563 4.651 . 0 0 "[ . 1]" 1
65 1 1 G H1' 1 1 G H5' 4.500 2.900 6.100 4.572 4.319 4.954 . 0 0 "[ . 1]" 1
66 1 1 G H1' 1 44 A H2 5.000 3.000 7.000 18.657 18.132 19.016 12.016 2 10 [*+**-*****] 1
67 1 2 G H1' 1 2 G HO2' 3.500 2.300 4.700 2.759 2.483 3.394 . 0 0 "[ . 1]" 1
68 1 2 G H1' 1 2 G H3' 4.500 2.900 6.100 3.813 3.805 3.820 . 0 0 "[ . 1]" 1
69 1 2 G H1' 1 2 G H8 4.500 2.900 6.100 3.694 3.690 3.697 . 0 0 "[ . 1]" 1
70 1 2 G H1' 1 43 A H2 4.500 2.900 6.100 21.485 20.822 22.270 16.170 2 10 [*+******-*] 1
71 1 2 G HO2' 1 3 C H1' 4.500 2.900 6.100 5.231 4.202 5.985 . 0 0 "[ . 1]" 1
72 1 2 G H3' 1 2 G H8 4.500 2.900 6.100 2.910 2.886 2.926 0.014 1 0 "[ . 1]" 1
73 1 2 G H4' 1 2 G H8 4.500 2.900 6.100 4.248 4.234 4.266 . 0 0 "[ . 1]" 1
74 1 2 G H5' 1 2 G H8 4.500 2.900 6.100 3.634 3.576 3.710 . 0 0 "[ . 1]" 1
75 1 2 G H5'' 1 2 G H8 4.500 2.900 6.100 4.144 4.116 4.186 . 0 0 "[ . 1]" 1
76 1 2 G H8 1 2 G HO2' 4.500 2.900 6.100 5.279 4.967 5.651 . 0 0 "[ . 1]" 1
77 1 3 C H1' 1 3 C HO2' 2.500 . 3.200 2.564 2.330 2.684 . 0 0 "[ . 1]" 1
78 1 2 G H1' 1 3 C H1' 4.500 2.900 6.100 5.542 5.492 5.598 . 0 0 "[ . 1]" 1
79 1 3 C HO2' 1 4 A H1' 4.500 2.900 6.100 5.101 4.025 5.851 . 0 0 "[ . 1]" 1
80 1 3 C H1' 1 3 C H3' 4.500 2.900 6.100 3.823 3.812 3.833 . 0 0 "[ . 1]" 1
81 1 4 A H1' 1 4 A HO2' 2.500 . 3.200 2.667 2.452 2.923 . 0 0 "[ . 1]" 1
82 1 4 A H1' 1 5 G H1' 4.500 2.900 6.100 5.445 5.346 5.622 . 0 0 "[ . 1]" 1
83 1 4 A HO2' 1 5 G H1' 4.500 2.900 6.100 4.213 3.882 5.866 . 0 0 "[ . 1]" 1
84 1 4 A H1' 1 4 A H3' 4.500 2.900 6.100 3.835 3.814 3.849 . 0 0 "[ . 1]" 1
85 1 4 A H1' 1 4 A H5' 4.500 2.900 6.100 4.620 4.609 4.632 . 0 0 "[ . 1]" 1
86 1 4 A H1' 1 4 A H5'' 4.500 2.900 6.100 5.183 5.164 5.199 . 0 0 "[ . 1]" 1
87 1 5 G H1' 1 5 G HO2' 2.500 . 3.200 2.737 2.383 3.357 0.157 5 0 "[ . 1]" 1
88 1 5 G HO2' 1 6 U H6 3.500 2.300 4.700 4.603 3.785 5.278 0.578 3 2 "[ + .- 1]" 1
89 1 5 G HO2' 1 6 U H1' 4.500 2.900 6.100 4.910 3.951 6.032 . 0 0 "[ . 1]" 1
90 1 5 G HO2' 1 6 U H5 4.500 2.900 6.100 6.386 5.779 6.886 0.786 6 3 "[ * .+ -1]" 1
91 1 5 G H1' 1 5 G H3' 4.500 2.900 6.100 3.847 3.802 3.883 . 0 0 "[ . 1]" 1
92 1 5 G H3' 1 6 U H6 4.500 2.900 6.100 3.577 3.189 4.328 . 0 0 "[ . 1]" 1
93 1 6 U H1' 1 6 U HO2' 2.500 . 3.200 2.897 2.479 3.408 0.208 10 0 "[ . 1]" 1
94 1 6 U H5 1 6 U H6 2.500 . 3.200 2.408 2.407 2.409 . 0 0 "[ . 1]" 1
95 1 6 U H1' 1 6 U H6 4.500 2.900 6.100 3.587 3.523 3.638 . 0 0 "[ . 1]" 1
96 1 6 U H1' 1 7 A H8 4.500 2.900 6.100 4.796 4.546 5.188 . 0 0 "[ . 1]" 1
97 1 6 U HO2' 1 7 A H1' 4.500 2.900 6.100 4.631 3.724 6.125 0.025 5 0 "[ . 1]" 1
98 1 6 U H1' 1 6 U H3' 4.500 2.900 6.100 3.869 3.808 3.899 . 0 0 "[ . 1]" 1
99 1 6 U H3' 1 6 U H6 4.500 2.900 6.100 2.799 2.655 3.021 0.245 10 0 "[ . 1]" 1
100 1 6 U H1' 1 6 U H5' 4.500 2.900 6.100 4.678 4.519 5.205 . 0 0 "[ . 1]" 1
101 1 6 U H5' 1 6 U H6 4.500 2.900 6.100 3.853 3.449 4.338 . 0 0 "[ . 1]" 1
102 1 6 U H5'' 1 6 U H6 4.500 2.900 6.100 3.935 2.494 4.436 0.406 5 0 "[ . 1]" 1
103 1 7 A H1' 1 7 A HO2' 2.500 . 3.200 3.019 2.319 3.375 0.175 2 0 "[ . 1]" 1
104 1 7 A HO2' 1 8 U H1' 4.500 2.900 6.100 3.742 2.716 4.330 0.184 2 0 "[ . 1]" 1
105 1 7 A H1' 1 7 A H3' 4.500 2.900 6.100 3.866 3.819 3.914 . 0 0 "[ . 1]" 1
106 1 7 A H1' 1 7 A H8 4.500 2.900 6.100 3.711 3.659 3.752 . 0 0 "[ . 1]" 1
107 1 7 A H3' 1 7 A H8 4.500 2.900 6.100 3.184 2.880 3.534 0.020 10 0 "[ . 1]" 1
108 1 7 A H1' 1 7 A H4' 4.500 2.900 6.100 3.196 2.946 3.402 . 0 0 "[ . 1]" 1
109 1 7 A H5' 1 7 A H8 4.500 2.900 6.100 4.241 3.678 4.937 . 0 0 "[ . 1]" 1
110 1 7 A H5'' 1 7 A H8 4.500 2.900 6.100 3.777 2.649 4.833 0.251 7 0 "[ . 1]" 1
111 1 7 A H8 1 7 A HO2' 4.500 2.900 6.100 5.580 5.410 5.710 . 0 0 "[ . 1]" 1
112 1 8 U HO2' 1 9 A H8 2.500 . 3.200 4.280 3.599 4.756 1.556 9 9 "[*** ***-+*]" 1
113 1 8 U H1' 1 8 U HO2' 3.500 2.300 4.700 2.745 2.443 3.353 . 0 0 "[ . 1]" 1
114 1 7 A H1' 1 8 U H1' 4.500 2.900 6.100 5.288 4.631 5.566 . 0 0 "[ . 1]" 1
115 1 8 U H1' 1 9 A H8 4.500 2.900 6.100 4.498 4.387 4.562 . 0 0 "[ . 1]" 1
116 1 8 U HO2' 1 9 A H1' 4.500 2.900 6.100 5.115 4.121 5.862 . 0 0 "[ . 1]" 1
117 1 8 U H1' 1 8 U H3' 4.500 2.900 6.100 3.838 3.820 3.848 . 0 0 "[ . 1]" 1
118 1 8 U H3' 1 9 A H8 4.500 2.900 6.100 3.056 2.980 3.139 . 0 0 "[ . 1]" 1
119 1 9 A H1' 1 9 A HO2' 3.500 2.300 4.700 2.559 2.289 3.101 0.011 1 0 "[ . 1]" 1
120 1 8 U H1' 1 9 A H1' 4.500 2.900 6.100 5.666 5.496 5.856 . 0 0 "[ . 1]" 1
121 1 9 A H1' 1 9 A H2 4.500 2.900 6.100 4.767 4.755 4.777 . 0 0 "[ . 1]" 1
122 1 9 A H1' 1 9 A H8 4.500 2.900 6.100 3.710 3.704 3.718 . 0 0 "[ . 1]" 1
123 1 9 A H8 1 9 A HO2' 4.500 2.900 6.100 5.329 5.077 5.668 . 0 0 "[ . 1]" 1
124 1 9 A HO2' 1 10 G H1' 4.500 2.900 6.100 4.488 3.422 5.707 . 0 0 "[ . 1]" 1
125 1 9 A H1' 1 9 A H3' 4.500 2.900 6.100 3.851 3.833 3.874 . 0 0 "[ . 1]" 1
126 1 9 A H3' 1 9 A H8 4.500 2.900 6.100 3.074 3.012 3.204 . 0 0 "[ . 1]" 1
127 1 9 A H4' 1 9 A H8 4.500 2.900 6.100 4.399 4.358 4.487 . 0 0 "[ . 1]" 1
128 1 9 A H5' 1 9 A H8 4.500 2.900 6.100 3.803 3.714 3.980 . 0 0 "[ . 1]" 1
129 1 9 A H5'' 1 9 A H8 4.500 2.900 6.100 4.474 4.386 4.665 . 0 0 "[ . 1]" 1
130 1 9 A H2 1 10 G H1' 2.500 . 3.200 3.338 3.270 3.409 0.209 8 0 "[ . 1]" 1
131 1 10 G H1' 1 10 G HO2' 2.500 . 3.200 2.578 2.353 2.856 . 0 0 "[ . 1]" 1
132 1 10 G HO2' 1 11 U H6 2.500 . 3.200 4.567 3.913 5.214 2.014 9 10 [********+-] 1
133 1 10 G H1' 1 11 U H6 4.500 2.900 6.100 4.899 4.697 5.115 . 0 0 "[ . 1]" 1
134 1 10 G HO2' 1 11 U H1' 4.500 2.900 6.100 5.300 4.319 6.190 0.090 1 0 "[ . 1]" 1
135 1 10 G H3' 1 11 U H5 4.500 2.900 6.100 3.705 3.391 3.983 . 0 0 "[ . 1]" 1
136 1 10 G H3' 1 11 U H6 4.500 2.900 6.100 3.126 3.028 3.254 . 0 0 "[ . 1]" 1
137 1 10 G H1' 1 10 G H4' 4.500 2.900 6.100 3.211 3.102 3.284 . 0 0 "[ . 1]" 1
138 1 11 U H1' 1 11 U HO2' 2.500 . 3.200 2.761 2.192 3.394 0.194 2 0 "[ . 1]" 1
139 1 11 U H5 1 11 U H6 2.500 . 3.200 2.409 2.408 2.409 . 0 0 "[ . 1]" 1
140 1 11 U H1' 1 11 U H6 4.500 2.900 6.100 3.565 3.546 3.590 . 0 0 "[ . 1]" 1
141 1 11 U H5 1 11 U HO2' 4.500 2.900 6.100 7.054 6.850 7.286 1.186 10 10 [*******-*+] 1
142 1 11 U H6 1 11 U HO2' 4.500 2.900 6.100 5.189 4.785 5.458 . 0 0 "[ . 1]" 1
143 1 11 U HO2' 1 12 C H1' 4.500 2.900 6.100 4.584 3.840 5.801 . 0 0 "[ . 1]" 1
144 1 11 U H1' 1 11 U H3' 4.500 2.900 6.100 3.870 3.831 3.895 . 0 0 "[ . 1]" 1
145 1 11 U H3' 1 11 U H6 4.500 2.900 6.100 2.845 2.734 2.953 0.166 10 0 "[ . 1]" 1
146 1 11 U H4' 1 11 U H6 4.500 2.900 6.100 4.115 4.011 4.202 . 0 0 "[ . 1]" 1
147 1 12 C H1' 1 13 C H6 5.000 . 8.000 4.842 4.654 5.188 . 0 0 "[ . 1]" 1
148 1 12 C H1' 1 32 A H2 3.500 2.300 4.700 22.440 20.813 23.667 18.967 10 10 [********-+] 1
149 1 12 C H1' 1 12 C HO2' 4.500 2.900 6.100 2.749 2.182 3.427 0.718 1 2 "[+ - . 1]" 1
150 1 12 C HO2' 1 13 C H6 5.000 . 8.000 4.300 3.580 4.743 . 0 0 "[ . 1]" 1
151 1 12 C H1' 1 12 C H3' 4.500 2.900 6.100 3.846 3.806 3.892 . 0 0 "[ . 1]" 1
152 1 12 C H3' 1 13 C H6 5.000 . 8.000 3.352 3.024 3.951 . 0 0 "[ . 1]" 1
153 1 12 C H1' 1 14 G H8 5.000 . 8.000 9.209 8.925 10.230 2.230 8 10 [***-***+**] 1
154 1 12 C HO2' 1 14 G H8 5.000 . 8.000 8.311 7.410 9.079 1.079 2 4 "[ + ** - 1]" 1
155 1 13 C H5 1 13 C H6 2.500 . 3.200 2.440 2.439 2.441 . 0 0 "[ . 1]" 1
156 1 13 C H6 1 13 C HO2' 3.500 2.300 4.700 5.029 4.522 5.358 0.658 4 5 "[ +** *-]" 1
157 1 13 C H5' 1 13 C H6 3.500 2.300 4.700 3.649 3.230 4.189 . 0 0 "[ . 1]" 1
158 1 13 C H1' 1 13 C H6 4.500 2.900 6.100 3.567 3.524 3.713 . 0 0 "[ . 1]" 1
159 1 13 C H1' 1 14 G H8 4.500 2.900 6.100 4.329 2.355 4.576 0.545 8 1 "[ . + 1]" 1
160 1 13 C HO2' 1 14 G H8 4.500 2.900 6.100 4.344 3.595 5.341 . 0 0 "[ . 1]" 1
161 1 13 C H6 1 14 G H8 4.500 2.900 6.100 4.684 4.596 5.182 . 0 0 "[ . 1]" 1
162 1 14 G H1' 1 14 G HO2' 3.500 2.300 4.700 2.771 2.344 3.428 . 0 0 "[ . 1]" 1
163 1 14 G HO2' 1 15 A H8 3.500 2.300 4.700 4.323 3.634 4.856 0.156 7 0 "[ . 1]" 1
164 1 14 G H1' 1 14 G H8 4.500 2.900 6.100 3.704 3.690 3.722 . 0 0 "[ . 1]" 1
165 1 14 G H1' 1 15 A H8 4.500 2.900 6.100 4.547 4.415 4.601 . 0 0 "[ . 1]" 1
166 1 14 G H8 1 14 G HO2' 4.500 2.900 6.100 5.304 5.072 5.550 . 0 0 "[ . 1]" 1
167 1 14 G HO2' 1 15 A H1' 4.500 3.300 5.700 5.131 3.689 5.826 0.126 3 0 "[ . 1]" 1
168 1 14 G H1' 1 14 G H3' 4.500 2.900 6.100 3.838 3.804 3.867 . 0 0 "[ . 1]" 1
169 1 14 G H3' 1 14 G H8 4.500 2.900 6.100 2.993 2.772 3.082 0.128 8 0 "[ . 1]" 1
170 1 14 G H3' 1 15 A H1' 4.500 2.900 6.100 6.280 6.213 6.347 0.247 1 0 "[ . 1]" 1
171 1 14 G H3' 1 15 A H8 4.500 2.900 6.100 3.116 2.932 3.260 . 0 0 "[ . 1]" 1
172 1 14 G H4' 1 14 G H8 4.500 2.900 6.100 4.346 4.233 4.408 . 0 0 "[ . 1]" 1
173 1 14 G H1' 1 14 G H5' 4.500 2.900 6.100 4.600 4.566 4.730 . 0 0 "[ . 1]" 1
174 1 15 A H1' 1 15 A HO2' 2.500 . 3.200 2.678 2.473 2.967 . 0 0 "[ . 1]" 1
175 1 15 A H1' 1 15 A H2 4.500 2.900 6.100 4.791 4.782 4.806 . 0 0 "[ . 1]" 1
176 1 15 A H1' 1 15 A H8 4.500 2.900 6.100 3.694 3.684 3.698 . 0 0 "[ . 1]" 1
177 1 15 A H1' 1 15 A H3' 4.500 2.900 6.100 3.851 3.834 3.868 . 0 0 "[ . 1]" 1
178 1 15 A H3' 1 15 A H8 4.500 2.900 6.100 3.129 3.049 3.218 . 0 0 "[ . 1]" 1
179 1 15 A H1' 1 15 A H5' 4.500 2.900 6.100 4.596 4.567 4.650 . 0 0 "[ . 1]" 1
180 1 29 U H1' 1 29 U HO2' 2.500 . 3.200 2.739 2.177 3.412 0.212 7 0 "[ . 1]" 1
181 1 29 U H5 1 29 U H6 2.500 . 3.200 2.406 2.405 2.408 . 0 0 "[ . 1]" 1
182 1 29 U HO2' 1 30 U H6 3.500 2.300 4.700 4.152 3.740 4.725 0.025 3 0 "[ . 1]" 1
183 1 29 U H1' 1 29 U H6 4.500 2.900 6.100 3.529 3.523 3.533 . 0 0 "[ . 1]" 1
184 1 29 U H6 1 29 U HO2' 4.500 2.900 6.100 5.139 4.753 5.429 . 0 0 "[ . 1]" 1
185 1 29 U HO2' 1 30 U H1' 4.500 2.900 6.100 4.990 4.160 5.954 . 0 0 "[ . 1]" 1
186 1 29 U H1' 1 29 U H3' 4.500 2.900 6.100 3.811 3.804 3.817 . 0 0 "[ . 1]" 1
187 1 29 U H3' 1 29 U H6 4.500 2.900 6.100 2.772 2.758 2.788 0.142 7 0 "[ . 1]" 1
188 1 29 U H3' 1 30 U H6 4.500 2.900 6.100 2.998 2.943 3.037 . 0 0 "[ . 1]" 1
189 1 29 U H1' 1 29 U H4' 4.500 2.900 6.100 3.395 3.385 3.413 . 0 0 "[ . 1]" 1
190 1 29 U H5 1 30 U H5 4.500 2.900 6.100 4.054 3.955 4.175 . 0 0 "[ . 1]" 1
191 1 29 U H5' 1 29 U H6 4.500 2.900 6.100 3.454 3.383 3.508 . 0 0 "[ . 1]" 1
192 1 29 U H5'' 1 29 U H6 4.500 2.900 6.100 3.905 3.872 3.938 . 0 0 "[ . 1]" 1
193 1 30 U H1' 1 30 U HO2' 2.500 . 3.200 2.487 2.297 2.616 . 0 0 "[ . 1]" 1
194 1 30 U HO2' 1 31 C H6 2.500 . 3.200 4.279 3.833 4.625 1.425 10 10 [*-*******+] 1
195 1 30 U H5 1 30 U H6 2.500 . 3.200 2.409 2.407 2.410 . 0 0 "[ . 1]" 1
196 1 30 U H1' 1 30 U H3' 3.500 2.300 4.700 3.816 3.806 3.824 . 0 0 "[ . 1]" 1
197 1 29 U H1' 1 30 U H1' 4.500 2.900 6.100 5.477 5.410 5.635 . 0 0 "[ . 1]" 1
198 1 30 U H1' 1 30 U H6 4.500 2.900 6.100 3.536 3.530 3.541 . 0 0 "[ . 1]" 1
199 1 30 U H1' 1 31 C H1' 4.500 2.900 6.100 5.555 5.445 5.818 . 0 0 "[ . 1]" 1
200 1 30 U HO2' 1 31 C H1' 4.500 2.900 6.100 5.223 4.353 6.011 . 0 0 "[ . 1]" 1
201 1 30 U HO2' 1 31 C H5 4.500 2.900 6.100 5.964 5.693 6.201 0.101 10 0 "[ . 1]" 1
202 1 30 U H3' 1 30 U H6 4.500 2.900 6.100 2.759 2.734 2.799 0.166 4 0 "[ . 1]" 1
203 1 30 U H3' 1 31 C H1' 4.500 2.900 6.100 6.127 6.062 6.201 0.101 9 0 "[ . 1]" 1
204 1 30 U H3' 1 31 C H5 4.500 2.900 6.100 3.201 2.901 3.360 . 0 0 "[ . 1]" 1
205 1 30 U H1' 1 30 U H4' 4.500 2.900 6.100 3.395 3.368 3.417 . 0 0 "[ . 1]" 1
206 1 30 U H4' 1 30 U H6 4.500 2.900 6.100 3.981 3.966 4.008 . 0 0 "[ . 1]" 1
207 1 30 U H5' 1 30 U H6 4.500 2.900 6.100 3.384 3.314 3.438 . 0 0 "[ . 1]" 1
208 1 30 U H5 1 31 C H5 4.500 2.900 6.100 3.958 3.694 4.122 . 0 0 "[ . 1]" 1
209 1 31 C HO2' 1 32 A H8 2.500 . 3.200 4.509 3.689 5.159 1.959 6 9 "[*****+ *-*]" 1
210 1 31 C H5 1 31 C H6 2.500 . 3.200 2.438 2.437 2.438 . 0 0 "[ . 1]" 1
211 1 31 C H1' 1 31 C HO2' 3.500 2.300 4.700 2.494 2.210 2.956 0.090 2 0 "[ . 1]" 1
212 1 31 C H1' 1 31 C H6 4.500 2.900 6.100 3.536 3.516 3.555 . 0 0 "[ . 1]" 1
213 1 31 C H1' 1 32 A H8 4.500 2.900 6.100 4.699 4.509 4.925 . 0 0 "[ . 1]" 1
214 1 31 C HO2' 1 32 A H1' 4.500 2.900 6.100 5.060 4.065 6.079 . 0 0 "[ . 1]" 1
215 1 31 C H1' 1 31 C H3' 4.500 2.900 6.100 3.815 3.799 3.835 . 0 0 "[ . 1]" 1
216 1 31 C H3' 1 31 C H5 4.500 2.900 6.100 4.482 4.453 4.526 . 0 0 "[ . 1]" 1
217 1 31 C H3' 1 31 C H6 4.500 2.900 6.100 2.730 2.688 2.771 0.212 1 0 "[ . 1]" 1
218 1 31 C H3' 1 32 A H8 4.500 2.900 6.100 3.084 2.911 3.290 . 0 0 "[ . 1]" 1
219 1 31 C H4' 1 31 C H6 4.500 2.900 6.100 3.947 3.900 3.987 . 0 0 "[ . 1]" 1
220 1 30 U H6 1 31 C H5 4.500 2.900 6.100 4.053 3.725 4.216 . 0 0 "[ . 1]" 1
221 1 31 C H1' 1 31 C H5 4.500 2.900 6.100 5.293 5.279 5.306 . 0 0 "[ . 1]" 1
222 1 32 A H1' 1 32 A HO2' 2.500 . 3.200 2.838 2.426 3.426 0.226 8 0 "[ . 1]" 1
223 1 32 A HO2' 1 33 C H6 2.500 . 3.200 4.087 2.774 5.652 2.452 3 6 "[**+ * *- 1]" 1
224 1 32 A H3' 1 33 C H6 3.500 2.300 4.700 3.507 3.090 4.747 0.047 9 0 "[ . 1]" 1
225 1 32 A H1' 1 32 A H8 4.500 2.900 6.100 3.727 3.700 3.766 . 0 0 "[ . 1]" 1
226 1 32 A H1' 1 33 C H6 4.500 2.900 6.100 4.548 2.642 5.723 0.258 9 0 "[ . 1]" 1
227 1 32 A H8 1 32 A HO2' 4.500 2.900 6.100 5.295 5.003 5.602 . 0 0 "[ . 1]" 1
228 1 32 A HO2' 1 33 C H1' 4.500 2.900 6.100 4.669 3.259 5.515 . 0 0 "[ . 1]" 1
229 1 32 A HO2' 1 33 C H5 4.500 2.900 6.100 5.880 4.383 7.040 0.940 3 1 "[ + . 1]" 1
230 1 32 A H3' 1 32 A H8 4.500 2.900 6.100 2.947 2.883 3.030 0.017 7 0 "[ . 1]" 1
231 1 32 A H3' 1 33 C H5 4.500 2.900 6.100 4.119 3.504 5.989 . 0 0 "[ . 1]" 1
232 1 32 A H4' 1 32 A H8 4.500 2.900 6.100 4.336 4.249 4.433 . 0 0 "[ . 1]" 1
233 1 32 A H5' 1 32 A H8 4.500 2.900 6.100 3.751 3.543 3.969 . 0 0 "[ . 1]" 1
234 1 32 A H5'' 1 32 A H8 4.500 2.900 6.100 4.320 4.154 4.535 . 0 0 "[ . 1]" 1
235 1 32 A H5'' 1 33 C H6 4.500 2.900 6.100 6.315 5.936 6.615 0.515 9 2 "[ - +1]" 1
236 1 31 C H6 1 32 A H8 4.500 2.900 6.100 4.749 4.687 4.824 . 0 0 "[ . 1]" 1
237 1 33 C H1' 1 33 C HO2' 2.500 . 3.200 2.807 2.185 3.440 0.240 5 0 "[ . 1]" 1
238 1 33 C H5 1 33 C H6 2.500 . 3.200 2.440 2.439 2.441 . 0 0 "[ . 1]" 1
239 1 33 C H6 1 33 C HO2' 3.500 2.300 4.700 5.172 4.708 5.514 0.814 1 4 "[+ * - * 1]" 1
240 1 33 C HO2' 1 34 C H6 3.500 2.300 4.700 4.254 3.588 5.734 1.034 10 1 "[ . +]" 1
241 1 33 C H3' 1 33 C H6 3.500 2.300 4.700 2.946 2.543 4.006 . 0 0 "[ . 1]" 1
242 1 33 C H3' 1 34 C H6 3.500 2.300 4.700 3.015 2.113 3.750 0.187 10 0 "[ . 1]" 1
243 1 32 A H2 1 33 C H1' 4.500 2.900 6.100 4.051 3.289 6.602 0.502 9 1 "[ . +1]" 1
244 1 33 C H1' 1 33 C H6 4.500 2.900 6.100 3.512 3.407 3.565 . 0 0 "[ . 1]" 1
245 1 33 C H1' 1 34 C H5 4.500 2.900 6.100 5.589 5.335 6.258 0.158 9 0 "[ . 1]" 1
246 1 33 C H1' 1 34 C H6 4.500 2.900 6.100 4.829 4.545 5.638 . 0 0 "[ . 1]" 1
247 1 33 C HO2' 1 34 C H3' 4.500 2.900 6.100 5.732 4.803 7.721 1.621 10 1 "[ . +]" 1
248 1 33 C H1' 1 33 C H3' 4.500 2.900 6.100 3.812 3.763 3.911 . 0 0 "[ . 1]" 1
249 1 33 C H1' 1 33 C H4' 4.500 2.900 6.100 3.318 2.437 3.588 0.463 9 0 "[ . 1]" 1
250 1 33 C H4' 1 33 C H6 4.500 2.900 6.100 4.000 3.853 4.350 . 0 0 "[ . 1]" 1
251 1 32 A H8 1 33 C H6 4.500 2.900 6.100 5.077 4.725 5.773 . 0 0 "[ . 1]" 1
252 1 33 C H6 1 34 C H6 4.500 2.900 6.100 4.864 3.924 5.369 . 0 0 "[ . 1]" 1
253 1 34 C H1' 1 34 C HO2' 2.500 . 3.200 2.765 2.445 3.391 0.191 7 0 "[ . 1]" 1
254 1 34 C H5 1 34 C H6 2.500 . 3.200 2.439 2.438 2.440 . 0 0 "[ . 1]" 1
255 1 34 C HO2' 1 35 U H6 3.500 2.300 4.700 4.449 3.697 5.937 1.237 10 1 "[ . +]" 1
256 1 34 C H1' 1 34 C H6 4.500 2.900 6.100 3.560 3.494 3.714 . 0 0 "[ . 1]" 1
257 1 34 C H1' 1 35 U H6 4.500 2.900 6.100 4.503 3.350 4.742 . 0 0 "[ . 1]" 1
258 1 34 C H5 1 34 C HO2' 4.500 2.900 6.100 6.950 5.770 7.286 1.186 7 9 [******+*-1] 1
259 1 34 C H6 1 34 C HO2' 4.500 2.900 6.100 5.002 4.290 5.431 . 0 0 "[ . 1]" 1
260 1 34 C H1' 1 34 C H3' 4.500 2.900 6.100 3.829 3.802 3.917 . 0 0 "[ . 1]" 1
261 1 34 C H3' 1 34 C H5 4.500 2.900 6.100 4.715 4.404 6.454 0.354 10 0 "[ . 1]" 1
262 1 34 C H3' 1 34 C H6 4.500 2.900 6.100 2.870 2.625 4.107 0.275 6 0 "[ . 1]" 1
263 1 34 C H3' 1 35 U H5 4.500 2.900 6.100 3.465 3.090 5.065 . 0 0 "[ . 1]" 1
264 1 34 C H3' 1 35 U H6 4.500 2.900 6.100 3.114 2.860 4.437 0.040 6 0 "[ . 1]" 1
265 1 34 C H1' 1 34 C H5' 4.500 2.900 6.100 4.679 4.542 5.165 . 0 0 "[ . 1]" 1
266 1 34 C H5' 1 34 C H6 4.500 2.900 6.100 3.494 3.081 4.253 . 0 0 "[ . 1]" 1
267 1 34 C H1' 1 34 C H5'' 4.500 2.900 6.100 5.130 4.682 5.228 . 0 0 "[ . 1]" 1
268 1 34 C H5'' 1 34 C H6 4.500 2.900 6.100 3.829 2.706 4.028 0.194 3 0 "[ . 1]" 1
269 1 35 U H1' 1 35 U HO2' 2.500 . 3.200 2.731 2.128 3.399 0.199 6 0 "[ . 1]" 1
270 1 35 U H5 1 35 U H6 2.500 . 3.200 2.406 2.405 2.407 . 0 0 "[ . 1]" 1
271 1 35 U HO2' 1 36 U H6 3.500 2.300 4.700 4.239 3.693 4.740 0.040 3 0 "[ . 1]" 1
272 1 35 U H3' 1 36 U H6 3.500 2.300 4.700 3.125 3.062 3.219 . 0 0 "[ . 1]" 1
273 1 35 U H1' 1 35 U H6 4.500 2.900 6.100 3.545 3.495 3.559 . 0 0 "[ . 1]" 1
274 1 35 U H1' 1 36 U H6 4.500 2.900 6.100 4.714 4.661 4.766 . 0 0 "[ . 1]" 1
275 1 35 U H6 1 35 U HO2' 4.500 2.900 6.100 5.081 4.728 5.358 . 0 0 "[ . 1]" 1
276 1 35 U HO2' 1 36 U H1' 4.500 2.900 6.100 5.098 3.995 5.939 . 0 0 "[ . 1]" 1
277 1 35 U H1' 1 35 U H3' 4.500 2.900 6.100 3.832 3.805 3.858 . 0 0 "[ . 1]" 1
278 1 35 U H3' 1 35 U H6 4.500 2.900 6.100 2.768 2.650 3.078 0.250 1 0 "[ . 1]" 1
279 1 34 C H5 1 35 U H5 4.500 2.900 6.100 3.907 3.484 5.752 . 0 0 "[ . 1]" 1
280 1 34 C H6 1 35 U H5 4.500 2.900 6.100 3.935 3.704 4.302 . 0 0 "[ . 1]" 1
281 1 35 U H5' 1 35 U H6 4.500 2.900 6.100 3.441 3.339 3.570 . 0 0 "[ . 1]" 1
282 1 35 U H5'' 1 35 U H6 4.500 2.900 6.100 4.045 3.899 4.360 . 0 0 "[ . 1]" 1
283 1 35 U H6 1 36 U H6 4.500 2.900 6.100 4.861 4.790 4.945 . 0 0 "[ . 1]" 1
284 1 36 U HO2' 1 37 C H6 2.500 . 3.200 4.108 3.573 4.687 1.487 4 9 "[***+** -**]" 1
285 1 36 U H5 1 36 U H6 2.500 . 3.200 2.408 2.406 2.409 . 0 0 "[ . 1]" 1
286 1 36 U H1' 1 36 U HO2' 3.500 2.300 4.700 2.780 2.405 3.379 . 0 0 "[ . 1]" 1
287 1 36 U H6 1 36 U HO2' 3.500 2.300 4.700 5.142 4.778 5.419 0.719 7 5 "[ -*+* *]" 1
288 1 36 U H3' 1 36 U H6 3.500 2.300 4.700 2.701 2.643 2.787 . 0 0 "[ . 1]" 1
289 1 9 A H2 1 36 U H1' 4.500 2.900 6.100 21.336 20.474 22.417 16.317 4 10 [***+*-****] 1
290 1 36 U H1' 1 36 U H6 4.500 2.900 6.100 3.567 3.560 3.578 . 0 0 "[ . 1]" 1
291 1 36 U H1' 1 37 C H6 4.500 2.900 6.100 4.638 4.574 4.702 . 0 0 "[ . 1]" 1
292 1 36 U HO2' 1 37 C H1' 4.500 2.900 6.100 4.764 3.942 5.652 . 0 0 "[ . 1]" 1
293 1 36 U H1' 1 36 U H3' 4.500 2.900 6.100 3.835 3.816 3.853 . 0 0 "[ . 1]" 1
294 1 36 U H3' 1 37 C H1' 4.500 2.900 6.100 6.155 6.092 6.246 0.146 4 0 "[ . 1]" 1
295 1 36 U H4' 1 36 U H6 4.500 2.900 6.100 4.030 4.000 4.077 . 0 0 "[ . 1]" 1
296 1 36 U H5' 1 36 U H6 4.500 2.900 6.100 3.484 3.415 3.603 . 0 0 "[ . 1]" 1
297 1 36 U H5'' 1 36 U H6 4.500 2.900 6.100 4.031 3.976 4.112 . 0 0 "[ . 1]" 1
298 1 37 C H1' 1 37 C HO2' 2.500 . 3.200 2.657 2.225 3.378 0.178 6 0 "[ . 1]" 1
299 1 37 C HO2' 1 38 U H6 2.500 . 3.200 4.458 3.947 5.828 2.628 8 10 [*******+-*] 1
300 1 36 U H1' 1 37 C H1' 4.500 2.900 6.100 5.437 5.262 5.679 . 0 0 "[ . 1]" 1
301 1 37 C H1' 1 37 C H6 4.500 2.900 6.100 3.552 3.545 3.565 . 0 0 "[ . 1]" 1
302 1 37 C H1' 1 38 U H6 4.500 2.900 6.100 4.806 4.549 5.538 . 0 0 "[ . 1]" 1
303 1 37 C HO2' 1 38 U H1' 4.500 2.900 6.100 5.195 4.118 6.169 0.069 8 0 "[ . 1]" 1
304 1 37 C H1' 1 37 C H3' 4.500 2.900 6.100 3.849 3.823 3.875 . 0 0 "[ . 1]" 1
305 1 37 C H3' 1 37 C H6 4.500 2.900 6.100 2.809 2.725 2.887 0.175 6 0 "[ . 1]" 1
306 1 37 C H3' 1 38 U H6 4.500 2.900 6.100 3.293 3.055 3.837 . 0 0 "[ . 1]" 1
307 1 37 C H5' 1 37 C H6 4.500 2.900 6.100 3.568 3.468 3.687 . 0 0 "[ . 1]" 1
308 1 37 C H5'' 1 37 C H6 4.500 2.900 6.100 4.120 4.048 4.264 . 0 0 "[ . 1]" 1
309 1 36 U H1' 1 37 C H5 4.500 2.900 6.100 5.535 5.394 5.637 . 0 0 "[ . 1]" 1
310 1 38 U H1' 1 38 U HO2' 2.500 . 3.200 2.589 2.226 3.337 0.137 3 0 "[ . 1]" 1
311 1 38 U H5 1 38 U H6 2.500 . 3.200 2.406 2.405 2.407 . 0 0 "[ . 1]" 1
312 1 38 U HO2' 1 39 C H6 3.500 2.300 4.700 4.697 3.765 5.458 0.758 10 3 "[ - . *+]" 1
313 1 38 U H1' 1 38 U H6 4.500 2.900 6.100 3.556 3.516 3.575 . 0 0 "[ . 1]" 1
314 1 38 U H1' 1 39 C H5 4.500 2.900 6.100 5.810 5.463 6.205 0.105 3 0 "[ . 1]" 1
315 1 38 U H1' 1 39 C H6 4.500 2.900 6.100 4.953 4.684 5.295 . 0 0 "[ . 1]" 1
316 1 38 U HO2' 1 39 C H1' 4.500 2.900 6.100 5.114 4.089 6.185 0.085 4 0 "[ . 1]" 1
317 1 38 U HO2' 1 39 C H5 4.500 2.900 6.100 6.408 5.718 7.063 0.963 10 4 "[ *- . *+]" 1
318 1 38 U H3' 1 38 U H5 4.500 2.900 6.100 4.651 4.529 4.799 . 0 0 "[ . 1]" 1
319 1 38 U H3' 1 38 U H6 4.500 2.900 6.100 2.828 2.763 2.885 0.137 6 0 "[ . 1]" 1
320 1 38 U H3' 1 39 C H1' 4.500 2.900 6.100 6.229 6.142 6.277 0.177 2 0 "[ . 1]" 1
321 1 38 U H3' 1 39 C H5 4.500 2.900 6.100 4.136 3.311 5.026 . 0 0 "[ . 1]" 1
322 1 38 U H4' 1 38 U H6 4.500 2.900 6.100 4.073 3.964 4.145 . 0 0 "[ . 1]" 1
323 1 38 U H5 1 39 C H5 4.500 2.900 6.100 3.832 3.630 4.093 . 0 0 "[ . 1]" 1
324 1 39 C H1' 1 39 C HO2' 2.500 . 3.200 2.586 2.294 3.011 . 0 0 "[ . 1]" 1
325 1 39 C H5 1 39 C H6 2.500 . 3.200 2.441 2.439 2.442 . 0 0 "[ . 1]" 1
326 1 39 C HO2' 1 40 U H6 3.500 2.300 4.700 4.446 3.665 5.105 0.405 5 0 "[ . 1]" 1
327 1 39 C H1' 1 39 C H3' 3.500 2.300 4.700 3.831 3.813 3.842 . 0 0 "[ . 1]" 1
328 1 39 C H3' 1 40 U H6 3.500 2.300 4.700 3.541 3.390 3.655 . 0 0 "[ . 1]" 1
329 1 39 C H1' 1 39 C H6 4.500 2.900 6.100 3.536 3.503 3.564 . 0 0 "[ . 1]" 1
330 1 39 C H1' 1 40 U H6 4.500 2.900 6.100 4.784 4.675 4.911 . 0 0 "[ . 1]" 1
331 1 39 C H6 1 39 C HO2' 4.500 2.900 6.100 5.103 4.790 5.405 . 0 0 "[ . 1]" 1
332 1 39 C HO2' 1 40 U H1' 4.500 2.900 6.100 5.312 4.377 6.420 0.320 2 0 "[ . 1]" 1
333 1 39 C HO2' 1 40 U H5 4.500 2.900 6.100 6.156 5.563 6.676 0.576 2 3 "[ +- * 1]" 1
334 1 39 C H3' 1 39 C H6 4.500 2.900 6.100 2.798 2.693 2.915 0.207 4 0 "[ . 1]" 1
335 1 39 C H4' 1 39 C H6 4.500 2.900 6.100 4.019 3.960 4.091 . 0 0 "[ . 1]" 1
336 1 38 U H6 1 39 C H5 4.500 2.900 6.100 4.349 4.117 4.616 . 0 0 "[ . 1]" 1
337 1 39 C H5 1 40 U H5 4.500 2.900 6.100 4.068 3.933 4.271 . 0 0 "[ . 1]" 1
338 1 39 C H5' 1 39 C H6 4.500 2.900 6.100 3.737 3.334 4.070 . 0 0 "[ . 1]" 1
339 1 40 U HO2' 1 41 C H6 2.500 . 3.200 4.154 3.575 4.657 1.457 4 9 [***+.-****] 1
340 1 40 U H5 1 40 U H6 2.500 . 3.200 2.409 2.408 2.409 . 0 0 "[ . 1]" 1
341 1 40 U H1' 1 40 U HO2' 3.500 2.300 4.700 2.407 2.189 3.066 0.111 10 0 "[ . 1]" 1
342 1 40 U H3' 1 41 C H6 3.500 2.300 4.700 2.966 2.851 3.167 . 0 0 "[ . 1]" 1
343 1 40 U H1' 1 40 U H6 4.500 2.900 6.100 3.546 3.532 3.558 . 0 0 "[ . 1]" 1
344 1 40 U H1' 1 41 C H6 4.500 2.900 6.100 4.702 4.656 4.787 . 0 0 "[ . 1]" 1
345 1 40 U HO2' 1 41 C H1' 4.500 2.900 6.100 4.468 3.818 5.509 . 0 0 "[ . 1]" 1
346 1 40 U H6 1 40 U HO2' 4.500 2.900 6.100 5.118 4.882 5.438 . 0 0 "[ . 1]" 1
347 1 40 U H1' 1 40 U H3' 4.500 2.900 6.100 3.879 3.862 3.895 . 0 0 "[ . 1]" 1
348 1 40 U H3' 1 40 U H6 4.500 2.900 6.100 3.008 2.909 3.118 . 0 0 "[ . 1]" 1
349 1 40 U H1' 1 40 U H4' 4.500 2.900 6.100 3.123 3.021 3.239 . 0 0 "[ . 1]" 1
350 1 40 U H4' 1 40 U H6 4.500 2.900 6.100 4.210 4.136 4.260 . 0 0 "[ . 1]" 1
351 1 39 C H6 1 40 U H5 4.500 2.900 6.100 4.571 4.409 4.765 . 0 0 "[ . 1]" 1
352 1 40 U H5 1 41 C H5 4.500 2.900 6.100 3.808 3.642 4.024 . 0 0 "[ . 1]" 1
353 1 40 U H1' 1 40 U H5' 4.500 2.900 6.100 4.509 4.468 4.565 . 0 0 "[ . 1]" 1
354 1 40 U H5' 1 40 U H6 4.500 2.900 6.100 3.738 3.595 3.844 . 0 0 "[ . 1]" 1
355 1 41 C H1' 1 41 C HO2' 2.500 . 3.200 2.475 2.209 2.651 . 0 0 "[ . 1]" 1
356 1 41 C H5 1 41 C H6 2.500 . 3.200 2.441 2.441 2.443 . 0 0 "[ . 1]" 1
357 1 41 C HO2' 1 42 U H6 2.500 . 3.200 4.149 3.588 4.795 1.595 10 9 "[****** -*+]" 1
358 1 41 C H6 1 41 C HO2' 3.500 2.300 4.700 5.106 4.805 5.298 0.598 7 4 "[ * -. + *1]" 1
359 1 41 C H1' 1 41 C H6 4.500 2.900 6.100 3.552 3.543 3.560 . 0 0 "[ . 1]" 1
360 1 41 C H1' 1 42 U H6 4.500 2.900 6.100 4.617 4.550 4.760 . 0 0 "[ . 1]" 1
361 1 41 C H5 1 41 C HO2' 4.500 2.900 6.100 6.965 6.854 7.031 0.931 9 10 [*******-+*] 1
362 1 41 C HO2' 1 42 U H1' 4.500 2.900 6.100 4.676 3.976 5.987 . 0 0 "[ . 1]" 1
363 1 41 C H1' 1 41 C H3' 4.500 2.900 6.100 3.850 3.830 3.871 . 0 0 "[ . 1]" 1
364 1 41 C H3' 1 41 C H6 4.500 2.900 6.100 2.833 2.731 2.967 0.169 10 0 "[ . 1]" 1
365 1 41 C H3' 1 42 U H6 4.500 2.900 6.100 3.301 3.174 3.471 . 0 0 "[ . 1]" 1
366 1 41 C H1' 1 41 C H4' 4.500 2.900 6.100 3.233 3.078 3.338 . 0 0 "[ . 1]" 1
367 1 41 C H4' 1 41 C H6 4.500 2.900 6.100 4.109 4.017 4.223 . 0 0 "[ . 1]" 1
368 1 40 U H1' 1 41 C H5 4.500 2.900 6.100 5.631 5.513 5.811 . 0 0 "[ . 1]" 1
369 1 41 C H1' 1 41 C H5 4.500 2.900 6.100 5.308 5.303 5.314 . 0 0 "[ . 1]" 1
370 1 41 C H5 1 42 U H6 4.500 2.900 6.100 5.417 5.303 5.594 . 0 0 "[ . 1]" 1
371 1 41 C H1' 1 41 C H5' 4.500 2.900 6.100 4.570 4.518 4.598 . 0 0 "[ . 1]" 1
372 1 41 C H5' 1 41 C H6 4.500 2.900 6.100 3.653 3.448 3.936 . 0 0 "[ . 1]" 1
373 1 41 C H1' 1 41 C H5'' 4.500 2.900 6.100 5.127 5.048 5.174 . 0 0 "[ . 1]" 1
374 1 41 C H5'' 1 41 C H6 4.500 2.900 6.100 4.165 3.996 4.369 . 0 0 "[ . 1]" 1
375 1 40 U H6 1 41 C H6 4.500 2.900 6.100 4.595 4.473 4.690 . 0 0 "[ . 1]" 1
376 1 42 U H5 1 42 U H6 2.500 . 3.200 2.408 2.408 2.409 . 0 0 "[ . 1]" 1
377 1 42 U H1' 1 42 U HO2' 3.500 2.300 4.700 2.463 2.165 2.903 0.135 6 0 "[ . 1]" 1
378 1 42 U HO2' 1 43 A H8 2.500 . 3.200 4.407 3.769 5.003 1.803 2 10 [*+-*******] 1
379 1 42 U H1' 1 42 U H6 4.500 2.900 6.100 3.563 3.558 3.571 . 0 0 "[ . 1]" 1
380 1 42 U H1' 1 43 A H8 4.500 2.900 6.100 4.709 4.470 5.350 . 0 0 "[ . 1]" 1
381 1 42 U H6 1 42 U HO2' 4.500 2.900 6.100 5.113 4.861 5.341 . 0 0 "[ . 1]" 1
382 1 42 U HO2' 1 43 A H1' 4.500 2.900 6.100 4.655 3.845 5.887 . 0 0 "[ . 1]" 1
383 1 42 U H1' 1 42 U H3' 4.500 2.900 6.100 3.883 3.861 3.905 . 0 0 "[ . 1]" 1
384 1 42 U H3' 1 42 U H6 4.500 2.900 6.100 2.978 2.861 3.114 0.039 1 0 "[ . 1]" 1
385 1 42 U H3' 1 43 A H8 4.500 2.900 6.100 3.515 3.190 4.031 . 0 0 "[ . 1]" 1
386 1 42 U H1' 1 42 U H4' 4.500 2.900 6.100 3.130 3.003 3.222 . 0 0 "[ . 1]" 1
387 1 41 C H5 1 42 U H5 4.500 2.900 6.100 3.680 3.516 3.829 . 0 0 "[ . 1]" 1
388 1 42 U H1' 1 42 U H5 4.500 2.900 6.100 5.313 5.309 5.318 . 0 0 "[ . 1]" 1
389 1 42 U H5 1 43 A H8 4.500 2.900 6.100 4.966 4.581 5.291 . 0 0 "[ . 1]" 1
390 1 42 U H5' 1 42 U H6 4.500 2.900 6.100 3.744 3.634 3.889 . 0 0 "[ . 1]" 1
391 1 42 U H6 1 43 A H8 4.500 2.900 6.100 4.453 4.275 4.668 . 0 0 "[ . 1]" 1
392 1 43 A H1' 1 43 A HO2' 3.500 2.300 4.700 2.542 2.295 3.006 0.005 6 0 "[ . 1]" 1
393 1 43 A HO2' 1 44 A H8 3.500 2.300 4.700 4.303 3.698 5.120 0.420 10 0 "[ . 1]" 1
394 1 42 U H1' 1 43 A H1' 4.500 2.900 6.100 5.837 5.563 6.083 . 0 0 "[ . 1]" 1
395 1 43 A H1' 1 43 A H8 4.500 2.900 6.100 3.728 3.695 3.763 . 0 0 "[ . 1]" 1
396 1 43 A H1' 1 44 A H8 4.500 2.900 6.100 5.111 4.664 5.663 . 0 0 "[ . 1]" 1
397 1 2 G H8 1 43 A H2 4.500 2.900 6.100 18.621 17.773 19.508 13.408 2 10 [*+******-*] 1
398 1 43 A H2 1 43 A HO2' 4.500 2.900 6.100 5.241 4.564 6.296 0.196 1 0 "[ . 1]" 1
399 1 43 A H2 1 44 A H2 4.500 2.900 6.100 6.515 6.436 6.586 0.486 6 0 "[ . 1]" 1
400 1 43 A H8 1 43 A HO2' 4.500 2.900 6.100 5.295 5.137 5.432 . 0 0 "[ . 1]" 1
401 1 43 A HO2' 1 44 A H1' 4.500 2.900 6.100 4.734 3.601 6.244 0.144 8 0 "[ . 1]" 1
402 1 43 A H1' 1 43 A H3' 4.500 2.900 6.100 3.897 3.874 3.917 . 0 0 "[ . 1]" 1
403 1 43 A H3' 1 43 A H8 4.500 2.900 6.100 3.417 3.141 3.761 . 0 0 "[ . 1]" 1
404 1 43 A H3' 1 44 A H8 4.500 2.900 6.100 3.640 2.974 4.391 . 0 0 "[ . 1]" 1
405 1 43 A H4' 1 43 A H8 4.500 2.900 6.100 4.534 4.394 4.634 . 0 0 "[ . 1]" 1
406 1 43 A H5' 1 43 A H8 4.500 2.900 6.100 4.268 3.920 4.999 . 0 0 "[ . 1]" 1
407 1 43 A H5'' 1 43 A H8 4.500 2.900 6.100 4.544 2.909 5.186 . 0 0 "[ . 1]" 1
408 1 44 A H1' 1 44 A HO2' 2.500 . 3.200 2.491 2.190 2.819 . 0 0 "[ . 1]" 1
409 1 44 A HO2' 1 45 C H6 2.500 . 3.200 4.394 3.766 4.782 1.582 9 10 [******-*+*] 1
410 1 43 A H2 1 44 A H1' 3.500 2.300 4.700 4.040 3.857 4.209 . 0 0 "[ . 1]" 1
411 1 44 A H1' 1 44 A H2 4.500 2.900 6.100 4.898 4.843 4.973 . 0 0 "[ . 1]" 1
412 1 44 A H1' 1 44 A H8 4.500 2.900 6.100 3.621 3.572 3.659 . 0 0 "[ . 1]" 1
413 1 44 A H1' 1 45 C H1' 4.500 2.900 6.100 6.097 5.830 6.341 0.241 9 0 "[ . 1]" 1
414 1 44 A H1' 1 45 C H5 4.500 2.900 6.100 5.432 5.335 5.567 . 0 0 "[ . 1]" 1
415 1 44 A H1' 1 45 C H6 4.500 2.900 6.100 4.830 4.674 4.938 . 0 0 "[ . 1]" 1
416 1 43 A H2 1 44 A HO2' 4.500 2.900 6.100 6.080 5.419 6.754 0.654 7 1 "[ . + 1]" 1
417 1 44 A HO2' 1 45 C H1' 4.500 2.900 6.100 5.389 4.506 6.650 0.550 9 1 "[ . +1]" 1
418 1 44 A HO2' 1 45 C H5 4.500 2.900 6.100 5.948 5.632 6.101 0.001 2 0 "[ . 1]" 1
419 1 44 A H1' 1 44 A H3' 4.500 2.900 6.100 3.820 3.791 3.844 . 0 0 "[ . 1]" 1
420 1 44 A H3' 1 44 A H8 4.500 2.900 6.100 3.229 3.038 3.410 . 0 0 "[ . 1]" 1
421 1 44 A H3' 1 45 C H5 4.500 2.900 6.100 2.975 2.844 3.119 0.056 4 0 "[ . 1]" 1
422 1 44 A H3' 1 45 C H6 4.500 2.900 6.100 2.837 2.693 2.963 0.207 4 0 "[ . 1]" 1
423 1 44 A H1' 1 44 A H4' 4.500 2.900 6.100 3.460 3.321 3.578 . 0 0 "[ . 1]" 1
424 1 44 A H4' 1 44 A H8 4.500 2.900 6.100 4.300 4.230 4.409 . 0 0 "[ . 1]" 1
425 1 44 A H5' 1 44 A H8 4.500 2.900 6.100 3.952 3.541 4.224 . 0 0 "[ . 1]" 1
426 1 44 A H1' 1 44 A H5'' 4.500 2.900 6.100 4.809 4.517 5.217 . 0 0 "[ . 1]" 1
427 1 43 A H8 1 44 A H8 4.500 2.900 6.100 4.996 4.656 5.588 . 0 0 "[ . 1]" 1
428 1 44 A H2 1 45 C H1' 2.500 . 3.200 3.219 3.015 3.298 0.098 2 0 "[ . 1]" 1
429 1 45 C H1' 1 45 C HO2' 2.500 . 3.200 2.675 2.259 3.408 0.208 3 0 "[ . 1]" 1
430 1 45 C HO2' 1 46 U H6 2.500 . 3.200 4.251 3.777 4.660 1.460 10 10 [*****-***+] 1
431 1 45 C H1' 1 45 C H3' 3.500 2.300 4.700 3.801 3.795 3.806 . 0 0 "[ . 1]" 1
432 1 45 C H3' 1 45 C H6 3.500 2.300 4.700 2.642 2.602 2.687 . 0 0 "[ . 1]" 1
433 1 45 C H1' 1 45 C H6 4.500 2.900 6.100 3.551 3.543 3.558 . 0 0 "[ . 1]" 1
434 1 45 C H1' 1 46 U H6 4.500 2.900 6.100 4.544 4.530 4.569 . 0 0 "[ . 1]" 1
435 1 45 C H6 1 45 C HO2' 4.500 2.900 6.100 5.014 4.703 5.336 . 0 0 "[ . 1]" 1
436 1 45 C HO2' 1 46 U H1' 4.500 2.900 6.100 5.303 4.249 6.078 . 0 0 "[ . 1]" 1
437 1 45 C HO2' 1 46 U H5 4.500 2.900 6.100 5.900 5.690 6.111 0.011 10 0 "[ . 1]" 1
438 1 45 C H3' 1 45 C H5 4.500 2.900 6.100 4.405 4.364 4.441 . 0 0 "[ . 1]" 1
439 1 45 C H3' 1 46 U H6 4.500 2.900 6.100 2.948 2.917 2.990 . 0 0 "[ . 1]" 1
440 1 45 C H4' 1 45 C H6 4.500 2.900 6.100 3.919 3.896 3.936 . 0 0 "[ . 1]" 1
441 1 45 C H5' 1 45 C H6 4.500 2.900 6.100 3.245 3.215 3.282 . 0 0 "[ . 1]" 1
442 1 44 A H8 1 45 C H6 4.500 2.900 6.100 5.094 4.956 5.313 . 0 0 "[ . 1]" 1
443 1 45 C H6 1 46 U H5 4.500 2.900 6.100 3.862 3.779 3.954 . 0 0 "[ . 1]" 1
444 1 46 U HO2' 1 47 G H8 2.500 . 3.200 4.189 3.680 4.708 1.508 7 9 "[ *****+-**]" 1
445 1 46 U H5 1 46 U H6 2.500 . 3.200 2.409 2.408 2.410 . 0 0 "[ . 1]" 1
446 1 46 U H1' 1 46 U HO2' 3.500 2.300 4.700 2.640 2.181 3.392 0.119 3 0 "[ . 1]" 1
447 1 46 U H1' 1 46 U H6 4.500 2.900 6.100 3.539 3.534 3.543 . 0 0 "[ . 1]" 1
448 1 46 U H1' 1 47 G H1' 4.500 2.900 6.100 5.543 5.509 5.604 . 0 0 "[ . 1]" 1
449 1 46 U H1' 1 47 G H8 4.500 2.900 6.100 4.507 4.491 4.535 . 0 0 "[ . 1]" 1
450 1 46 U H6 1 46 U HO2' 4.500 2.900 6.100 5.121 4.754 5.442 . 0 0 "[ . 1]" 1
451 1 46 U HO2' 1 47 G H1' 4.500 2.900 6.100 4.874 4.134 5.889 . 0 0 "[ . 1]" 1
452 1 46 U H1' 1 46 U H3' 4.500 2.900 6.100 3.815 3.808 3.821 . 0 0 "[ . 1]" 1
453 1 46 U H3' 1 46 U H6 4.500 2.900 6.100 2.727 2.710 2.753 0.190 4 0 "[ . 1]" 1
454 1 46 U H3' 1 47 G H8 4.500 2.900 6.100 2.983 2.963 3.008 . 0 0 "[ . 1]" 1
455 1 46 U H4' 1 46 U H6 4.500 2.900 6.100 3.974 3.960 3.996 . 0 0 "[ . 1]" 1
456 1 45 C H5 1 46 U H5 4.500 2.900 6.100 3.686 3.581 3.768 . 0 0 "[ . 1]" 1
457 1 46 U H5'' 1 46 U H6 4.500 2.900 6.100 3.946 3.908 3.979 . 0 0 "[ . 1]" 1
458 1 45 C H1' 1 46 U H5' 4.500 2.900 6.100 4.753 4.723 4.777 . 0 0 "[ . 1]" 1
459 1 46 U H5' 1 46 U H6 4.500 2.900 6.100 3.320 3.288 3.368 . 0 0 "[ . 1]" 1
460 1 47 G H1' 1 47 G HO2' 2.500 . 3.200 2.700 2.182 3.353 0.153 1 0 "[ . 1]" 1
461 1 47 G HO2' 1 48 C H6 2.500 . 3.200 4.202 3.679 4.641 1.441 7 9 "[***-* +***]" 1
462 1 47 G H1' 1 47 G H8 4.500 2.900 6.100 3.695 3.690 3.698 . 0 0 "[ . 1]" 1
463 1 47 G H1' 1 48 C H1' 4.500 2.900 6.100 5.531 5.494 5.595 . 0 0 "[ . 1]" 1
464 1 47 G H1' 1 48 C H6 4.500 2.900 6.100 4.610 4.583 4.627 . 0 0 "[ . 1]" 1
465 1 47 G HO2' 1 48 C H1' 4.500 2.900 6.100 5.122 4.049 5.843 . 0 0 "[ . 1]" 1
466 1 47 G HO2' 1 48 C H5 4.500 2.900 6.100 5.963 5.682 6.233 0.133 8 0 "[ . 1]" 1
467 1 47 G H1' 1 47 G H3' 4.500 2.900 6.100 3.824 3.816 3.829 . 0 0 "[ . 1]" 1
468 1 47 G H3' 1 47 G H8 4.500 2.900 6.100 2.965 2.947 2.985 . 0 0 "[ . 1]" 1
469 1 47 G H3' 1 48 C H6 4.500 2.900 6.100 3.120 3.084 3.160 . 0 0 "[ . 1]" 1
470 1 47 G H1' 1 47 G H4' 4.500 2.900 6.100 3.348 3.326 3.364 . 0 0 "[ . 1]" 1
471 1 47 G H4' 1 47 G H8 4.500 2.900 6.100 4.306 4.292 4.325 . 0 0 "[ . 1]" 1
472 1 47 G H1' 1 47 G H5' 4.500 2.900 6.100 4.615 4.601 4.629 . 0 0 "[ . 1]" 1
473 1 47 G H5' 1 47 G H8 4.500 2.900 6.100 3.679 3.646 3.708 . 0 0 "[ . 1]" 1
474 1 46 U H6 1 47 G H8 4.500 2.900 6.100 4.627 4.572 4.669 . 0 0 "[ . 1]" 1
475 1 48 C H1' 1 48 C HO2' 2.500 . 3.200 2.673 2.376 3.343 0.143 9 0 "[ . 1]" 1
476 1 48 C HO2' 1 49 C H6 2.500 . 3.200 4.295 3.651 4.767 1.567 6 8 "[*** *+ -**]" 1
477 1 48 C H3' 1 48 C H6 3.500 2.300 4.700 2.743 2.727 2.758 . 0 0 "[ . 1]" 1
478 1 48 C H1' 1 48 C H6 4.500 2.900 6.100 3.549 3.546 3.551 . 0 0 "[ . 1]" 1
479 1 48 C H1' 1 49 C H6 4.500 2.900 6.100 4.615 4.577 4.685 . 0 0 "[ . 1]" 1
480 1 48 C H6 1 48 C HO2' 4.500 2.900 6.100 5.047 4.777 5.426 . 0 0 "[ . 1]" 1
481 1 48 C HO2' 1 49 C H1' 4.500 2.900 6.100 5.258 4.178 6.019 . 0 0 "[ . 1]" 1
482 1 48 C HO2' 1 49 C H5 4.500 2.900 6.100 6.028 5.644 6.370 0.270 6 0 "[ . 1]" 1
483 1 48 C H1' 1 48 C H3' 4.500 2.900 6.100 3.827 3.820 3.835 . 0 0 "[ . 1]" 1
484 1 48 C H3' 1 48 C H5 4.500 2.900 6.100 4.552 4.521 4.585 . 0 0 "[ . 1]" 1
485 1 48 C H3' 1 49 C H3' 4.500 2.900 6.100 5.271 5.248 5.296 . 0 0 "[ . 1]" 1
486 1 48 C H3' 1 49 C H5 4.500 2.900 6.100 3.662 3.612 3.803 . 0 0 "[ . 1]" 1
487 1 48 C H1' 1 48 C H4' 4.500 2.900 6.100 3.346 3.324 3.362 . 0 0 "[ . 1]" 1
488 1 48 C H4' 1 48 C H6 4.500 2.900 6.100 4.017 3.999 4.043 . 0 0 "[ . 1]" 1
489 1 47 G H8 1 48 C H5 4.500 2.900 6.100 4.124 4.065 4.156 . 0 0 "[ . 1]" 1
490 1 48 C H5 1 49 C H5 4.500 2.900 6.100 3.813 3.723 3.870 . 0 0 "[ . 1]" 1
491 1 49 C H1' 1 49 C HO2' 2.500 . 3.200 2.780 2.198 3.234 0.034 8 0 "[ . 1]" 1
492 1 49 C H3' 1 49 C H6 2.500 . 3.200 2.839 2.804 2.854 . 0 0 "[ . 1]" 1
493 1 49 C H5 1 49 C H6 2.500 . 3.200 2.439 2.438 2.440 . 0 0 "[ . 1]" 1
494 1 49 C H6 1 49 C HO2' 3.500 2.300 4.700 5.334 5.116 5.454 0.754 8 7 "[* -*.* +**]" 1
495 1 49 C H1' 1 49 C H6 4.500 2.900 6.100 3.548 3.542 3.555 . 0 0 "[ . 1]" 1
496 1 49 C H5 1 49 C HO2' 4.500 2.900 6.100 7.096 6.910 7.260 1.160 8 10 [*-*****+**] 1
497 1 49 C H1' 1 49 C H3' 4.500 2.900 6.100 3.854 3.851 3.862 . 0 0 "[ . 1]" 1
498 1 49 C H3' 1 49 C H5 4.500 2.900 6.100 4.693 4.656 4.741 . 0 0 "[ . 1]" 1
499 1 49 C H1' 1 49 C H4' 4.500 2.900 6.100 3.277 3.234 3.291 . 0 0 "[ . 1]" 1
500 1 49 C H4' 1 49 C H6 4.500 2.900 6.100 4.084 4.073 4.114 . 0 0 "[ . 1]" 1
501 1 49 C H5 1 49 C H5' 4.500 2.900 6.100 5.800 5.776 5.871 . 0 0 "[ . 1]" 1
502 1 49 C H5' 1 49 C H6 4.500 2.900 6.100 3.528 3.507 3.592 . 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 21
_Distance_constraint_stats_list.Viol_count 210
_Distance_constraint_stats_list.Viol_total 33754.676
_Distance_constraint_stats_list.Viol_max 19.339
_Distance_constraint_stats_list.Viol_rms 1.5403
_Distance_constraint_stats_list.Viol_average_all_restraints 16.0737
_Distance_constraint_stats_list.Viol_average_violations_only 16.0737
_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 168.564 17.976 2 10 [*+******-*]
1 2 G 332.900 18.298 2 10 [*+***-****]
1 3 C 145.186 15.492 3 10 [**+**-****]
1 4 A 162.048 17.283 3 10 [**+****-**]
1 7 A 156.294 17.003 4 10 [***+-*****]
1 8 U 306.517 17.379 4 10 [***+*-****]
1 9 A 615.086 18.658 4 10 [***+*-****]
1 11 U 489.491 18.936 10 10 [*****-***+]
1 12 C 180.758 19.256 8 10 [*******+-*]
1 14 G 170.079 18.395 5 10 [****+****-]
1 15 A 648.544 19.339 5 10 [****+***-*]
1 29 U 648.544 19.339 5 10 [****+***-*]
1 30 U 170.079 18.395 5 10 [****+****-]
1 31 C 180.758 19.256 8 10 [*******+-*]
1 32 A 489.491 18.936 10 10 [*****-***+]
1 35 U 615.086 18.658 4 10 [***+*-****]
1 36 U 306.517 17.379 4 10 [***+*-****]
1 37 C 156.294 17.003 4 10 [***+-*****]
1 40 U 162.048 17.283 3 10 [**+****-**]
1 41 C 145.186 15.492 3 10 [**+**-****]
1 42 U 332.900 18.298 2 10 [*+***-****]
1 43 A 168.564 17.976 2 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 N3 1 43 A N1 2.730 2.530 2.930 19.786 18.894 20.906 17.976 2 10 [*+******-*] 2
2 1 2 G N1 1 42 U N3 2.730 2.530 2.930 18.849 17.775 19.845 16.915 2 10 [*+***-****] 2
3 1 2 G N1 1 42 U H3 1.730 . 1.930 19.301 18.355 20.228 18.298 2 10 [*+***-****] 2
4 1 3 C N1 1 41 C N3 2.950 2.750 3.150 17.669 16.408 18.642 15.492 3 10 [**+**-****] 2
5 1 4 A N3 1 40 U O4 2.950 2.850 3.050 19.255 18.444 20.333 17.283 3 10 [**+****-**] 2
6 1 7 A N1 1 37 C N3 2.950 2.750 3.150 18.779 17.822 20.153 17.003 4 10 [***+-*****] 2
7 1 8 U N1 1 36 U N3 2.730 2.530 2.930 17.445 15.986 18.781 15.851 4 10 [***+*-****] 2
8 1 8 U N1 1 36 U H3 1.730 . 1.930 18.066 16.670 19.309 17.379 4 10 [***+*-****] 2
9 1 9 A N1 1 35 U N3 2.730 2.530 2.930 19.181 18.042 20.197 17.267 4 10 [***+*-****] 2
10 1 9 A N6 1 35 U O4 2.920 2.720 3.120 17.375 16.144 18.608 15.488 10 10 [*****-***+] 2
11 1 9 A N1 1 35 U H3 1.730 . 1.930 19.628 18.497 20.588 18.658 4 10 [***+*-****] 2
12 1 9 A Q6 1 35 U O4 1.920 . 2.120 15.424 14.320 16.543 14.423 10 10 [*****-***+] 2
13 1 11 U N3 1 32 A N1 2.730 2.530 2.930 20.828 19.675 21.866 18.936 10 10 [********-+] 2
14 1 11 U O4 1 32 A N6 2.920 2.720 3.120 19.199 18.171 20.277 17.157 4 10 [***+*-****] 2
15 1 11 U O4 1 32 A Q6 1.920 . 2.120 17.092 16.176 18.064 15.944 4 10 [***+*-****] 2
16 1 12 C N1 1 31 C N3 2.950 2.750 3.150 21.226 19.888 22.406 19.256 8 10 [*******+-*] 2
17 1 14 G N1 1 30 U N3 2.730 2.530 2.930 19.938 18.882 21.325 18.395 5 10 [****+****-] 2
18 1 15 A N1 1 29 U N3 2.730 2.530 2.930 19.844 18.821 20.992 18.062 2 10 [*+*******-] 2
19 1 15 A N6 1 29 U O4 2.920 2.720 3.120 18.471 17.667 19.494 16.374 5 10 [****+****-] 2
20 1 15 A N1 1 29 U H3 1.730 . 1.930 20.167 19.175 21.269 19.339 5 10 [****+****-] 2
21 1 15 A Q6 1 29 U O4 1.920 . 2.120 16.472 15.792 17.370 15.250 5 10 [****+***-*] 2
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