NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
498591 |
2l9e   |
17449 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l9e
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 469
_Distance_constraint_stats_list.Viol_count 1313
_Distance_constraint_stats_list.Viol_total 665.410
_Distance_constraint_stats_list.Viol_max 1.552
_Distance_constraint_stats_list.Viol_rms 0.0617
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0117
_Distance_constraint_stats_list.Viol_average_violations_only 0.0461
_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 2.054 0.070 1 0 "[ . 1 ]"
1 2 C 3.055 0.070 1 0 "[ . 1 ]"
1 3 A 3.436 0.099 5 0 "[ . 1 ]"
1 4 G 4.662 0.089 1 0 "[ . 1 ]"
1 5 A 7.596 0.299 11 0 "[ . 1 ]"
1 6 C 7.452 0.299 11 0 "[ . 1 ]"
1 7 U 7.695 0.206 10 0 "[ . 1 ]"
1 8 70U 6.719 0.268 4 0 "[ . 1 ]"
1 9 U 1.556 0.088 8 0 "[ . 1 ]"
1 10 U 3.496 0.147 10 0 "[ . 1 ]"
1 11 12A 18.854 1.552 5 11 [-***+******]
1 12 A 19.304 1.552 5 11 [-***+******]
1 13 U 3.819 0.127 6 0 "[ . 1 ]"
1 14 C 4.163 0.073 4 0 "[ . 1 ]"
1 15 U 2.794 0.064 1 0 "[ . 1 ]"
1 16 G 4.602 0.075 1 0 "[ . 1 ]"
1 17 C 2.860 0.075 1 0 "[ . 1 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 G H1' 1 1 G H2' 2.805 2.705 2.905 2.790 2.786 2.794 . 0 0 "[ . 1 ]" 1
2 1 1 G H1' 1 1 G H3' 3.857 3.757 3.957 3.850 3.843 3.854 . 0 0 "[ . 1 ]" 1
3 1 1 G H1' 1 1 G H4' 3.397 3.297 3.497 3.409 3.391 3.429 . 0 0 "[ . 1 ]" 1
4 1 1 G H1' 1 1 G H5' 4.577 4.477 4.677 4.573 4.555 4.590 . 0 0 "[ . 1 ]" 1
5 1 1 G H1' 1 1 G HO2' 2.564 2.464 2.664 2.653 2.567 2.678 0.014 3 0 "[ . 1 ]" 1
6 1 1 G H1' 1 1 G H21 4.775 4.675 4.875 4.780 4.764 4.808 . 0 0 "[ . 1 ]" 1
7 1 1 G H1' 1 1 G H8 3.727 3.627 3.827 3.668 3.660 3.674 . 0 0 "[ . 1 ]" 1
8 1 1 G H1' 1 2 C H5' 4.677 4.577 4.777 4.713 4.595 4.771 . 0 0 "[ . 1 ]" 1
9 1 1 G H1' 1 2 C H6 4.298 4.198 4.398 4.444 4.434 4.452 0.054 5 0 "[ . 1 ]" 1
10 1 1 G H1' 1 2 C H5 4.980 4.880 5.080 5.067 5.020 5.086 0.006 10 0 "[ . 1 ]" 1
11 1 1 G H2' 1 1 G H3' 2.425 2.325 2.525 2.413 2.409 2.418 . 0 0 "[ . 1 ]" 1
12 1 1 G H2' 1 1 G H4' 3.812 3.712 3.912 3.808 3.801 3.812 . 0 0 "[ . 1 ]" 1
13 1 1 G H2' 1 1 G HO2' 2.946 2.846 3.046 2.849 2.845 2.859 0.001 4 0 "[ . 1 ]" 1
14 1 1 G H2' 1 1 G H21 4.702 4.602 4.802 4.660 4.623 4.689 . 0 0 "[ . 1 ]" 1
15 1 1 G H2' 1 1 G H8 4.150 4.050 4.250 4.112 4.096 4.138 . 0 0 "[ . 1 ]" 1
16 1 1 G H2' 1 2 C H1' 4.192 4.092 4.292 4.206 4.139 4.311 0.019 6 0 "[ . 1 ]" 1
17 1 1 G H2' 1 2 C H3' 4.263 4.163 4.363 4.289 4.276 4.314 . 0 0 "[ . 1 ]" 1
18 1 1 G H2' 1 2 C H4' 4.442 4.342 4.542 4.449 4.416 4.545 0.003 5 0 "[ . 1 ]" 1
19 1 1 G H2' 1 2 C H5' 2.890 2.790 2.990 2.893 2.779 2.994 0.011 6 0 "[ . 1 ]" 1
20 1 1 G H2' 1 2 C H5'' 4.268 4.168 4.368 4.290 4.192 4.368 0.000 5 0 "[ . 1 ]" 1
21 1 1 G H2' 1 2 C H6 1.583 . 1.683 1.729 1.718 1.753 0.070 1 0 "[ . 1 ]" 1
22 1 1 G H2' 1 2 C H5 3.090 2.990 3.190 3.144 3.037 3.195 0.005 1 0 "[ . 1 ]" 1
23 1 1 G H3' 1 1 G H4' 3.006 2.906 3.106 3.007 3.005 3.009 . 0 0 "[ . 1 ]" 1
24 1 1 G H3' 1 1 G H5' 3.686 3.586 3.786 3.675 3.666 3.686 . 0 0 "[ . 1 ]" 1
25 1 1 G H3' 1 1 G H5'' 3.085 2.985 3.185 3.089 3.062 3.121 . 0 0 "[ . 1 ]" 1
26 1 1 G H3' 1 1 G HO2' 3.596 3.496 3.696 3.509 3.495 3.550 0.001 3 0 "[ . 1 ]" 1
27 1 1 G H3' 1 1 G H8 3.196 3.096 3.296 3.150 3.130 3.179 . 0 0 "[ . 1 ]" 1
28 1 1 G H3' 1 2 C H5' 3.958 3.858 4.058 4.007 3.944 4.058 . 0 0 "[ . 1 ]" 1
29 1 1 G H3' 1 2 C H5'' 4.908 4.808 5.008 4.971 4.914 5.012 0.004 7 0 "[ . 1 ]" 1
30 1 1 G H3' 1 2 C H6 3.105 3.005 3.205 3.094 3.047 3.152 . 0 0 "[ . 1 ]" 1
31 1 1 G H3' 1 2 C H5 3.314 3.214 3.414 3.232 3.196 3.295 0.018 11 0 "[ . 1 ]" 1
32 1 1 G H4' 1 1 G H5' 2.534 2.434 2.634 2.527 2.512 2.541 . 0 0 "[ . 1 ]" 1
33 1 1 G H4' 1 1 G H5'' 2.371 2.271 2.471 2.331 2.321 2.345 . 0 0 "[ . 1 ]" 1
34 1 1 G H4' 1 1 G HO2' 2.043 . 2.143 2.073 2.064 2.089 . 0 0 "[ . 1 ]" 1
35 1 1 G H4' 1 1 G H8 4.410 4.310 4.510 4.311 4.300 4.327 0.010 1 0 "[ . 1 ]" 1
36 1 1 G H4' 1 2 C H5' 4.167 4.067 4.267 4.277 4.268 4.292 0.025 1 0 "[ . 1 ]" 1
37 1 1 G H5' 1 1 G H5'' 1.776 . 1.876 1.772 1.771 1.773 . 0 0 "[ . 1 ]" 1
38 1 1 G H5' 1 1 G HO2' 4.410 4.310 4.510 4.451 4.418 4.471 . 0 0 "[ . 1 ]" 1
39 1 1 G H5' 1 1 G H8 3.565 3.465 3.665 3.449 3.440 3.459 0.025 2 0 "[ . 1 ]" 1
40 1 1 G H5'' 1 1 G HO2' 4.310 4.210 4.410 4.262 4.241 4.303 . 0 0 "[ . 1 ]" 1
41 1 1 G H5'' 1 1 G H8 4.368 4.268 4.468 4.288 4.249 4.335 0.019 6 0 "[ . 1 ]" 1
42 1 1 G HO2' 1 2 C H5' 2.941 2.841 3.041 2.863 2.836 2.963 0.005 7 0 "[ . 1 ]" 1
43 1 1 G HO2' 1 2 C H5'' 4.601 4.501 4.701 4.505 4.489 4.566 0.012 9 0 "[ . 1 ]" 1
44 1 1 G HO2' 1 2 C H6 4.372 4.272 4.472 4.366 4.296 4.448 . 0 0 "[ . 1 ]" 1
45 1 1 G H21 1 1 G H22 1.784 . 1.884 1.753 1.750 1.754 . 0 0 "[ . 1 ]" 1
46 1 1 G H1 1 1 G H21 3.480 3.380 3.580 3.462 3.459 3.466 . 0 0 "[ . 1 ]" 1
47 1 1 G H21 1 2 C H1' 3.255 3.155 3.355 3.215 3.150 3.339 0.005 7 0 "[ . 1 ]" 1
48 1 1 G H21 1 2 C H6 4.826 4.726 4.926 4.896 4.775 4.938 0.012 4 0 "[ . 1 ]" 1
49 1 1 G H1 1 1 G H22 2.169 2.069 2.269 2.202 2.191 2.206 . 0 0 "[ . 1 ]" 1
50 1 1 G H22 1 2 C H1' 4.205 4.105 4.305 4.118 4.077 4.307 0.028 10 0 "[ . 1 ]" 1
51 1 1 G H8 1 2 C H5 3.899 3.799 3.999 3.956 3.882 4.007 0.008 9 0 "[ . 1 ]" 1
52 1 1 G H1 1 2 C H42 4.353 4.253 4.453 4.422 4.310 4.462 0.009 10 0 "[ . 1 ]" 1
53 1 1 G H1 1 2 C H41 3.748 3.648 3.848 3.741 3.641 3.853 0.007 5 0 "[ . 1 ]" 1
54 1 1 G H1 1 2 C H5 4.950 4.850 5.050 5.027 4.844 5.077 0.027 3 0 "[ . 1 ]" 1
55 1 2 C H1' 1 2 C H2' 2.805 2.705 2.905 2.797 2.792 2.801 . 0 0 "[ . 1 ]" 1
56 1 2 C H1' 1 2 C H3' 3.857 3.757 3.957 3.851 3.845 3.860 . 0 0 "[ . 1 ]" 1
57 1 2 C H1' 1 2 C H4' 3.397 3.297 3.497 3.395 3.383 3.419 . 0 0 "[ . 1 ]" 1
58 1 2 C H1' 1 2 C H5' 4.576 4.476 4.676 4.568 4.559 4.579 . 0 0 "[ . 1 ]" 1
59 1 2 C H1' 1 2 C HO2' 2.564 2.464 2.664 2.600 2.479 2.678 0.014 5 0 "[ . 1 ]" 1
60 1 2 C H1' 1 2 C H6 3.520 3.420 3.620 3.537 3.523 3.544 . 0 0 "[ . 1 ]" 1
61 1 2 C H1' 1 3 A H5' 4.676 4.576 4.776 4.696 4.595 4.809 0.033 6 0 "[ . 1 ]" 1
62 1 2 C H1' 1 3 A H8 4.320 4.220 4.420 4.422 4.372 4.455 0.035 1 0 "[ . 1 ]" 1
63 1 2 C H2' 1 2 C H3' 2.425 2.325 2.525 2.413 2.410 2.417 . 0 0 "[ . 1 ]" 1
64 1 2 C H2' 1 2 C H4' 3.813 3.713 3.913 3.804 3.797 3.813 . 0 0 "[ . 1 ]" 1
65 1 2 C H2' 1 2 C HO2' 2.947 2.847 3.047 2.854 2.844 2.861 0.003 5 0 "[ . 1 ]" 1
66 1 2 C H2' 1 2 C H6 3.999 3.899 4.099 3.913 3.896 3.944 0.003 11 0 "[ . 1 ]" 1
67 1 2 C H2' 1 3 A H1' 4.192 4.092 4.292 4.175 4.073 4.303 0.019 4 0 "[ . 1 ]" 1
68 1 2 C H2' 1 3 A H3' 4.263 4.163 4.363 4.214 4.166 4.318 . 0 0 "[ . 1 ]" 1
69 1 2 C H2' 1 3 A H4' 4.442 4.342 4.542 4.418 4.326 4.551 0.016 10 0 "[ . 1 ]" 1
70 1 2 C H2' 1 3 A H5' 2.891 2.791 2.991 2.912 2.863 2.988 . 0 0 "[ . 1 ]" 1
71 1 2 C H2' 1 3 A H5'' 4.268 4.168 4.368 4.298 4.234 4.377 0.009 9 0 "[ . 1 ]" 1
72 1 2 C H2' 1 3 A H8 1.662 . 1.762 1.789 1.752 1.821 0.059 1 0 "[ . 1 ]" 1
73 1 2 C H3' 1 2 C H4' 3.007 2.907 3.107 3.009 3.006 3.011 . 0 0 "[ . 1 ]" 1
74 1 2 C H3' 1 2 C H5' 3.686 3.586 3.786 3.685 3.671 3.702 . 0 0 "[ . 1 ]" 1
75 1 2 C H3' 1 2 C H5'' 3.085 2.985 3.185 3.093 3.070 3.130 . 0 0 "[ . 1 ]" 1
76 1 2 C H3' 1 2 C HO2' 3.595 3.495 3.695 3.527 3.492 3.581 0.003 5 0 "[ . 1 ]" 1
77 1 2 C H3' 1 2 C H6 2.988 2.888 3.088 2.862 2.836 2.889 0.052 5 0 "[ . 1 ]" 1
78 1 2 C H3' 1 2 C H5 4.769 4.669 4.869 4.661 4.636 4.679 0.033 5 0 "[ . 1 ]" 1
79 1 2 C H3' 1 3 A H5' 3.958 3.858 4.058 3.989 3.928 4.063 0.005 1 0 "[ . 1 ]" 1
80 1 2 C H3' 1 3 A H5'' 4.908 4.808 5.008 4.990 4.964 5.028 0.020 4 0 "[ . 1 ]" 1
81 1 2 C H3' 1 3 A H8 3.033 2.933 3.133 3.113 3.076 3.154 0.021 7 0 "[ . 1 ]" 1
82 1 2 C H4' 1 2 C H5' 2.534 2.434 2.634 2.522 2.504 2.544 . 0 0 "[ . 1 ]" 1
83 1 2 C H4' 1 2 C H5'' 2.370 2.270 2.470 2.338 2.324 2.350 . 0 0 "[ . 1 ]" 1
84 1 2 C H4' 1 2 C HO2' 2.043 . 2.143 2.070 2.044 2.111 . 0 0 "[ . 1 ]" 1
85 1 2 C H4' 1 2 C H6 4.053 3.953 4.153 4.011 3.992 4.021 . 0 0 "[ . 1 ]" 1
86 1 2 C H4' 1 3 A H5' 4.166 4.066 4.266 4.202 4.131 4.271 0.005 6 0 "[ . 1 ]" 1
87 1 2 C H5' 1 2 C H5'' 1.776 . 1.876 1.775 1.774 1.776 . 0 0 "[ . 1 ]" 1
88 1 2 C H5' 1 2 C HO2' 4.409 4.309 4.509 4.436 4.421 4.452 . 0 0 "[ . 1 ]" 1
89 1 2 C H5' 1 2 C H6 3.241 3.141 3.341 3.236 3.180 3.299 . 0 0 "[ . 1 ]" 1
90 1 2 C H5'' 1 2 C HO2' 4.309 4.209 4.409 4.275 4.231 4.341 . 0 0 "[ . 1 ]" 1
91 1 2 C H5'' 1 2 C H6 4.056 3.956 4.156 4.003 3.961 4.026 . 0 0 "[ . 1 ]" 1
92 1 2 C H6 1 2 C HO2' 4.846 4.746 4.946 4.811 4.787 4.829 . 0 0 "[ . 1 ]" 1
93 1 2 C HO2' 1 3 A H5' 2.941 2.841 3.041 2.848 2.822 2.915 0.019 8 0 "[ . 1 ]" 1
94 1 2 C HO2' 1 3 A H5'' 4.602 4.502 4.702 4.524 4.489 4.589 0.013 9 0 "[ . 1 ]" 1
95 1 2 C HO2' 1 3 A H8 4.527 4.427 4.627 4.548 4.494 4.588 . 0 0 "[ . 1 ]" 1
96 1 2 C H41 1 2 C H42 1.784 . 1.884 1.748 1.745 1.751 . 0 0 "[ . 1 ]" 1
97 1 2 C H42 1 2 C H6 4.650 4.550 4.750 4.627 4.620 4.634 . 0 0 "[ . 1 ]" 1
98 1 2 C H42 1 2 C H5 2.425 2.325 2.525 2.415 2.407 2.422 . 0 0 "[ . 1 ]" 1
99 1 2 C H42 1 3 A H61 4.593 4.493 4.693 4.594 4.480 4.723 0.030 9 0 "[ . 1 ]" 1
100 1 2 C H42 1 3 A H62 3.566 3.466 3.666 3.556 3.463 3.629 0.003 11 0 "[ . 1 ]" 1
101 1 2 C H41 1 2 C H5 3.708 3.608 3.808 3.673 3.668 3.677 . 0 0 "[ . 1 ]" 1
102 1 2 C H41 1 3 A H61 3.650 3.550 3.750 3.611 3.540 3.709 0.010 4 0 "[ . 1 ]" 1
103 1 2 C H41 1 3 A H62 3.025 2.925 3.125 2.975 2.910 3.132 0.015 5 0 "[ . 1 ]" 1
104 1 2 C H5 1 2 C H6 2.457 2.357 2.557 2.438 2.437 2.440 . 0 0 "[ . 1 ]" 1
105 1 2 C H6 1 3 A H8 4.777 4.677 4.877 4.745 4.677 4.834 . 0 0 "[ . 1 ]" 1
106 1 2 C H5 1 3 A H62 4.821 4.721 4.921 4.876 4.764 4.941 0.020 5 0 "[ . 1 ]" 1
107 1 3 A H1' 1 3 A H2' 2.805 2.705 2.905 2.802 2.785 2.811 . 0 0 "[ . 1 ]" 1
108 1 3 A H1' 1 3 A H3' 3.857 3.757 3.957 3.837 3.801 3.848 . 0 0 "[ . 1 ]" 1
109 1 3 A H1' 1 3 A H4' 3.397 3.297 3.497 3.347 3.329 3.382 . 0 0 "[ . 1 ]" 1
110 1 3 A H1' 1 3 A H5' 4.577 4.477 4.677 4.558 4.530 4.599 . 0 0 "[ . 1 ]" 1
111 1 3 A H1' 1 3 A HO2' 2.564 2.464 2.664 2.607 2.460 2.668 0.004 3 0 "[ . 1 ]" 1
112 1 3 A H1' 1 3 A H8 3.700 3.600 3.800 3.710 3.691 3.723 . 0 0 "[ . 1 ]" 1
113 1 3 A H1' 1 3 A H2 4.791 4.691 4.891 4.761 4.736 4.808 . 0 0 "[ . 1 ]" 1
114 1 3 A H1' 1 4 G H5' 4.677 4.577 4.777 4.745 4.679 4.781 0.004 3 0 "[ . 1 ]" 1
115 1 3 A H1' 1 4 G H8 4.320 4.220 4.420 4.414 4.396 4.456 0.036 1 0 "[ . 1 ]" 1
116 1 3 A H2' 1 3 A H3' 2.425 2.325 2.525 2.415 2.406 2.432 . 0 0 "[ . 1 ]" 1
117 1 3 A H2' 1 3 A H4' 3.813 3.713 3.913 3.775 3.733 3.787 . 0 0 "[ . 1 ]" 1
118 1 3 A H2' 1 3 A HO2' 2.946 2.846 3.046 2.852 2.845 2.863 0.001 11 0 "[ . 1 ]" 1
119 1 3 A H2' 1 3 A H8 4.125 4.025 4.225 4.038 4.017 4.096 0.008 4 0 "[ . 1 ]" 1
120 1 3 A H2 1 3 A H2' 4.663 4.563 4.763 4.748 4.651 4.777 0.014 4 0 "[ . 1 ]" 1
121 1 3 A H2' 1 4 G H1' 4.192 4.092 4.292 4.105 4.042 4.150 0.050 9 0 "[ . 1 ]" 1
122 1 3 A H2' 1 4 G H3' 4.263 4.163 4.363 4.269 4.206 4.376 0.013 6 0 "[ . 1 ]" 1
123 1 3 A H2' 1 4 G H4' 4.442 4.342 4.542 4.355 4.322 4.449 0.020 4 0 "[ . 1 ]" 1
124 1 3 A H2' 1 4 G H5' 2.891 2.791 2.991 2.976 2.937 3.000 0.009 11 0 "[ . 1 ]" 1
125 1 3 A H2' 1 4 G H5'' 4.268 4.168 4.368 4.294 4.262 4.334 . 0 0 "[ . 1 ]" 1
126 1 3 A H2' 1 4 G H8 1.674 . 1.774 1.788 1.720 1.822 0.048 1 0 "[ . 1 ]" 1
127 1 3 A H3' 1 3 A H4' 3.007 2.907 3.107 3.015 3.011 3.020 . 0 0 "[ . 1 ]" 1
128 1 3 A H3' 1 3 A H5' 3.686 3.586 3.786 3.697 3.668 3.717 . 0 0 "[ . 1 ]" 1
129 1 3 A H3' 1 3 A H5'' 3.085 2.985 3.185 3.140 3.057 3.228 0.043 6 0 "[ . 1 ]" 1
130 1 3 A H3' 1 3 A HO2' 3.596 3.496 3.696 3.524 3.493 3.587 0.003 4 0 "[ . 1 ]" 1
131 1 3 A H3' 1 3 A H8 3.163 3.063 3.263 3.039 2.964 3.068 0.099 5 0 "[ . 1 ]" 1
132 1 3 A H3' 1 4 G H5' 3.959 3.859 4.059 4.056 3.989 4.073 0.014 4 0 "[ . 1 ]" 1
133 1 3 A H3' 1 4 G H5'' 4.908 4.808 5.008 5.028 5.010 5.043 0.035 5 0 "[ . 1 ]" 1
134 1 3 A H3' 1 4 G H8 3.024 2.924 3.124 3.144 3.080 3.180 0.056 9 0 "[ . 1 ]" 1
135 1 3 A H4' 1 3 A H5' 2.534 2.434 2.634 2.523 2.488 2.557 . 0 0 "[ . 1 ]" 1
136 1 3 A H4' 1 3 A H5'' 2.370 2.270 2.470 2.335 2.308 2.367 . 0 0 "[ . 1 ]" 1
137 1 3 A H4' 1 3 A HO2' 2.043 . 2.143 2.020 1.958 2.098 . 0 0 "[ . 1 ]" 1
138 1 3 A H4' 1 3 A H8 4.363 4.263 4.463 4.363 4.334 4.380 . 0 0 "[ . 1 ]" 1
139 1 3 A H4' 1 4 G H5' 4.168 4.068 4.268 4.191 4.052 4.271 0.016 9 0 "[ . 1 ]" 1
140 1 3 A H5' 1 3 A H5'' 1.776 . 1.876 1.774 1.773 1.776 . 0 0 "[ . 1 ]" 1
141 1 3 A H5' 1 3 A HO2' 4.410 4.310 4.510 4.407 4.329 4.458 . 0 0 "[ . 1 ]" 1
142 1 3 A H5' 1 3 A H8 3.522 3.422 3.622 3.618 3.505 3.653 0.031 10 0 "[ . 1 ]" 1
143 1 3 A H5'' 1 3 A HO2' 4.309 4.209 4.409 4.226 4.204 4.315 0.005 6 0 "[ . 1 ]" 1
144 1 3 A H5'' 1 3 A H8 4.325 4.225 4.425 4.389 4.289 4.430 0.005 7 0 "[ . 1 ]" 1
145 1 3 A HO2' 1 4 G H5' 2.942 2.842 3.042 2.859 2.832 2.976 0.010 10 0 "[ . 1 ]" 1
146 1 3 A HO2' 1 4 G H5'' 4.602 4.502 4.702 4.561 4.516 4.678 . 0 0 "[ . 1 ]" 1
147 1 3 A HO2' 1 4 G H8 4.547 4.447 4.647 4.548 4.434 4.585 0.013 6 0 "[ . 1 ]" 1
148 1 3 A H61 1 3 A H62 1.784 . 1.884 1.752 1.750 1.755 . 0 0 "[ . 1 ]" 1
149 1 3 A H2 1 3 A H61 4.506 4.406 4.606 4.482 4.472 4.502 . 0 0 "[ . 1 ]" 1
150 1 3 A H61 1 4 G H1 4.505 4.405 4.605 4.439 4.353 4.597 0.052 2 0 "[ . 1 ]" 1
151 1 3 A H8 1 4 G H8 4.786 4.686 4.886 4.764 4.667 4.956 0.070 6 0 "[ . 1 ]" 1
152 1 3 A H2 1 4 G H1' 3.831 3.731 3.931 3.711 3.684 3.735 0.047 10 0 "[ . 1 ]" 1
153 1 3 A H2 1 4 G H8 4.645 4.545 4.745 4.762 4.722 4.776 0.031 10 0 "[ . 1 ]" 1
154 1 4 G H1' 1 5 A H5' 4.677 4.577 4.777 4.566 4.544 4.592 0.033 6 0 "[ . 1 ]" 1
155 1 4 G H1' 1 5 A H8 4.319 4.219 4.419 4.467 4.415 4.508 0.089 1 0 "[ . 1 ]" 1
156 1 4 G H2' 1 5 A H1' 4.192 4.092 4.292 4.126 4.056 4.228 0.036 6 0 "[ . 1 ]" 1
157 1 4 G H2' 1 5 A H3' 4.263 4.163 4.363 4.282 4.145 4.374 0.018 2 0 "[ . 1 ]" 1
158 1 4 G H2' 1 5 A H4' 4.442 4.342 4.542 4.323 4.286 4.398 0.056 3 0 "[ . 1 ]" 1
159 1 4 G H2' 1 5 A H5' 2.891 2.791 2.991 2.905 2.852 2.986 . 0 0 "[ . 1 ]" 1
160 1 4 G H2' 1 5 A H5'' 4.268 4.168 4.368 4.191 4.154 4.231 0.014 6 0 "[ . 1 ]" 1
161 1 4 G H2' 1 5 A H8 1.673 . 1.773 1.796 1.769 1.819 0.046 1 0 "[ . 1 ]" 1
162 1 4 G H3' 1 5 A H5' 3.959 3.859 4.059 4.085 4.052 4.102 0.043 3 0 "[ . 1 ]" 1
163 1 4 G H3' 1 5 A H5'' 4.908 4.808 5.008 5.023 4.988 5.047 0.039 10 0 "[ . 1 ]" 1
164 1 4 G H3' 1 5 A H8 3.023 2.923 3.123 3.123 2.924 3.174 0.051 10 0 "[ . 1 ]" 1
165 1 4 G H4' 1 5 A H5' 4.167 4.067 4.267 4.126 4.088 4.189 . 0 0 "[ . 1 ]" 1
166 1 4 G HO2' 1 5 A H5' 2.941 2.841 3.041 2.815 2.785 2.844 0.056 10 0 "[ . 1 ]" 1
167 1 4 G HO2' 1 5 A H5'' 4.602 4.502 4.702 4.514 4.497 4.529 0.005 4 0 "[ . 1 ]" 1
168 1 4 G HO2' 1 5 A H8 4.547 4.447 4.647 4.548 4.414 4.606 0.033 6 0 "[ . 1 ]" 1
169 1 4 G H1' 1 4 G H2' 2.805 2.705 2.905 2.800 2.762 2.813 . 0 0 "[ . 1 ]" 1
170 1 4 G H1' 1 4 G H3' 3.857 3.757 3.957 3.837 3.829 3.849 . 0 0 "[ . 1 ]" 1
171 1 4 G H1' 1 4 G H4' 3.398 3.298 3.498 3.340 3.290 3.498 0.008 11 0 "[ . 1 ]" 1
172 1 4 G H1' 1 4 G H5' 4.577 4.477 4.677 4.592 4.576 4.619 . 0 0 "[ . 1 ]" 1
173 1 4 G H1' 1 4 G HO2' 2.564 2.464 2.664 2.458 2.437 2.499 0.027 10 0 "[ . 1 ]" 1
174 1 4 G H1' 1 4 G H21 4.774 4.674 4.874 4.782 4.755 4.821 . 0 0 "[ . 1 ]" 1
175 1 4 G H1' 1 4 G H8 3.727 3.627 3.827 3.671 3.648 3.689 . 0 0 "[ . 1 ]" 1
176 1 4 G H3' 1 4 G H4' 3.007 2.907 3.107 3.016 3.005 3.020 . 0 0 "[ . 1 ]" 1
177 1 4 G H3' 1 4 G H5' 3.686 3.586 3.786 3.734 3.707 3.754 . 0 0 "[ . 1 ]" 1
178 1 4 G H3' 1 4 G H5'' 3.085 2.985 3.185 3.064 3.016 3.113 . 0 0 "[ . 1 ]" 1
179 1 4 G H3' 1 4 G HO2' 3.596 3.496 3.696 3.588 3.567 3.614 . 0 0 "[ . 1 ]" 1
180 1 4 G H3' 1 4 G H8 3.196 3.096 3.296 3.132 3.064 3.191 0.032 5 0 "[ . 1 ]" 1
181 1 13 U H1' 1 13 U H2' 2.805 2.705 2.905 2.797 2.790 2.804 . 0 0 "[ . 1 ]" 1
182 1 13 U H1' 1 13 U H3' 3.857 3.757 3.957 3.843 3.832 3.858 . 0 0 "[ . 1 ]" 1
183 1 13 U H1' 1 13 U H4' 3.397 3.297 3.497 3.360 3.343 3.389 . 0 0 "[ . 1 ]" 1
184 1 13 U H1' 1 13 U H5' 4.576 4.476 4.676 4.579 4.556 4.616 . 0 0 "[ . 1 ]" 1
185 1 13 U H1' 1 13 U HO2' 2.990 2.890 3.090 3.003 2.913 3.042 . 0 0 "[ . 1 ]" 1
186 1 13 U H1' 1 13 U H3 4.622 4.522 4.722 4.594 4.582 4.615 . 0 0 "[ . 1 ]" 1
187 1 13 U H1' 1 13 U H6 3.514 3.414 3.614 3.519 3.498 3.536 . 0 0 "[ . 1 ]" 1
188 1 13 U H1' 1 14 C H5' 4.677 4.577 4.777 4.694 4.592 4.738 . 0 0 "[ . 1 ]" 1
189 1 13 U H1' 1 14 C H6 4.320 4.220 4.420 4.453 4.442 4.464 0.044 10 0 "[ . 1 ]" 1
190 1 13 U H2' 1 13 U H3' 2.425 2.325 2.525 2.408 2.402 2.413 . 0 0 "[ . 1 ]" 1
191 1 13 U H2' 1 13 U H4' 3.813 3.713 3.913 3.783 3.769 3.804 . 0 0 "[ . 1 ]" 1
192 1 13 U H2' 1 13 U HO2' 2.193 2.093 2.293 2.108 2.098 2.116 . 0 0 "[ . 1 ]" 1
193 1 13 U H2' 1 13 U H3 4.540 4.440 4.640 4.440 4.418 4.471 0.022 10 0 "[ . 1 ]" 1
194 1 13 U H2' 1 13 U H6 4.005 3.905 4.105 3.933 3.903 3.982 0.002 5 0 "[ . 1 ]" 1
195 1 13 U H2' 1 14 C H1' 4.192 4.092 4.292 4.080 4.041 4.156 0.051 6 0 "[ . 1 ]" 1
196 1 13 U H2' 1 14 C H3' 4.263 4.163 4.363 4.264 4.242 4.281 . 0 0 "[ . 1 ]" 1
197 1 13 U H2' 1 14 C H4' 4.442 4.342 4.542 4.322 4.299 4.373 0.043 4 0 "[ . 1 ]" 1
198 1 13 U H2' 1 14 C H5' 2.891 2.791 2.991 2.854 2.808 2.912 . 0 0 "[ . 1 ]" 1
199 1 13 U H2' 1 14 C H5'' 4.268 4.168 4.368 4.228 4.167 4.310 0.001 4 0 "[ . 1 ]" 1
200 1 13 U H2' 1 14 C H6 1.673 . 1.773 1.737 1.719 1.775 0.002 1 0 "[ . 1 ]" 1
201 1 13 U H3' 1 13 U H4' 3.007 2.907 3.107 3.012 3.008 3.017 . 0 0 "[ . 1 ]" 1
202 1 13 U H3' 1 13 U H5' 3.686 3.586 3.786 3.692 3.661 3.707 . 0 0 "[ . 1 ]" 1
203 1 13 U H3' 1 13 U H5'' 3.085 2.985 3.185 3.091 3.014 3.163 . 0 0 "[ . 1 ]" 1
204 1 13 U H3' 1 13 U HO2' 3.993 3.893 4.093 3.887 3.872 3.919 0.021 8 0 "[ . 1 ]" 1
205 1 13 U H3' 1 13 U H6 2.992 2.892 3.092 2.925 2.865 3.062 0.027 5 0 "[ . 1 ]" 1
206 1 13 U H3' 1 13 U H5 4.723 4.623 4.823 4.672 4.624 4.798 . 0 0 "[ . 1 ]" 1
207 1 13 U H3' 1 14 C H5' 3.958 3.858 4.058 4.000 3.856 4.060 0.002 6 0 "[ . 1 ]" 1
208 1 13 U H3' 1 14 C H5'' 4.908 4.808 5.008 4.969 4.914 5.002 . 0 0 "[ . 1 ]" 1
209 1 13 U H3' 1 14 C H6 3.024 2.924 3.124 3.016 2.916 3.133 0.009 1 0 "[ . 1 ]" 1
210 1 13 U H4' 1 13 U H5' 2.533 2.433 2.633 2.512 2.482 2.540 . 0 0 "[ . 1 ]" 1
211 1 13 U H4' 1 13 U H5'' 2.370 2.270 2.470 2.348 2.325 2.374 . 0 0 "[ . 1 ]" 1
212 1 13 U H4' 1 13 U HO2' 3.778 3.678 3.878 3.706 3.675 3.755 0.003 5 0 "[ . 1 ]" 1
213 1 13 U H4' 1 13 U H6 4.039 3.939 4.139 4.064 4.035 4.089 . 0 0 "[ . 1 ]" 1
214 1 13 U H4' 1 14 C H5' 4.167 4.067 4.267 4.278 4.225 4.315 0.048 6 0 "[ . 1 ]" 1
215 1 13 U H5' 1 13 U H5'' 1.776 . 1.876 1.774 1.772 1.775 . 0 0 "[ . 1 ]" 1
216 1 13 U H5' 1 13 U H6 3.223 3.123 3.323 3.344 3.282 3.372 0.049 6 0 "[ . 1 ]" 1
217 1 13 U H5'' 1 13 U H6 4.044 3.944 4.144 4.112 4.032 4.165 0.021 10 0 "[ . 1 ]" 1
218 1 13 U HO2' 1 14 C H1' 4.151 4.051 4.251 4.257 4.182 4.279 0.028 2 0 "[ . 1 ]" 1
219 1 13 U HO2' 1 14 C H3' 4.845 4.745 4.945 4.842 4.785 4.925 . 0 0 "[ . 1 ]" 1
220 1 13 U HO2' 1 14 C H4' 3.521 3.421 3.621 3.476 3.410 3.610 0.011 7 0 "[ . 1 ]" 1
221 1 13 U HO2' 1 14 C H5' 1.995 . 2.095 1.904 1.887 2.001 0.008 9 0 "[ . 1 ]" 1
222 1 13 U HO2' 1 14 C H5'' 3.738 3.638 3.838 3.654 3.636 3.747 0.002 9 0 "[ . 1 ]" 1
223 1 13 U HO2' 1 14 C H6 3.220 3.120 3.320 3.345 3.327 3.366 0.046 10 0 "[ . 1 ]" 1
224 1 13 U H3 1 13 U H6 4.817 4.717 4.917 4.770 4.766 4.775 . 0 0 "[ . 1 ]" 1
225 1 13 U H3 1 13 U H5 4.231 4.131 4.331 4.201 4.199 4.203 . 0 0 "[ . 1 ]" 1
226 1 13 U H3 1 14 C H6 4.402 4.302 4.502 4.559 4.525 4.575 0.073 4 0 "[ . 1 ]" 1
227 1 13 U H5 1 13 U H6 2.416 2.316 2.516 2.405 2.401 2.408 . 0 0 "[ . 1 ]" 1
228 1 13 U H6 1 14 C H6 4.950 4.850 5.050 4.841 4.810 4.935 0.040 6 0 "[ . 1 ]" 1
229 1 14 C H1' 1 14 C H2' 2.805 2.705 2.905 2.790 2.786 2.797 . 0 0 "[ . 1 ]" 1
230 1 14 C H1' 1 14 C H3' 3.857 3.757 3.957 3.847 3.827 3.858 . 0 0 "[ . 1 ]" 1
231 1 14 C H1' 1 14 C H4' 3.398 3.298 3.498 3.407 3.379 3.437 . 0 0 "[ . 1 ]" 1
232 1 14 C H1' 1 14 C H5' 4.577 4.477 4.677 4.596 4.552 4.614 . 0 0 "[ . 1 ]" 1
233 1 14 C H1' 1 14 C HO2' 2.989 2.889 3.089 2.926 2.882 2.990 0.007 5 0 "[ . 1 ]" 1
234 1 14 C H1' 1 14 C H6 3.521 3.421 3.621 3.527 3.513 3.538 . 0 0 "[ . 1 ]" 1
235 1 14 C H1' 1 15 U H5' 4.677 4.577 4.777 4.610 4.564 4.716 0.013 5 0 "[ . 1 ]" 1
236 1 14 C H1' 1 15 U H6 4.282 4.182 4.382 4.402 4.380 4.421 0.039 4 0 "[ . 1 ]" 1
237 1 14 C H1' 1 15 U H5 4.941 4.841 5.041 5.052 5.000 5.075 0.034 5 0 "[ . 1 ]" 1
238 1 14 C H2' 1 14 C H3' 2.425 2.325 2.525 2.411 2.405 2.417 . 0 0 "[ . 1 ]" 1
239 1 14 C H2' 1 14 C H4' 3.813 3.713 3.913 3.802 3.778 3.820 . 0 0 "[ . 1 ]" 1
240 1 14 C H2' 1 14 C HO2' 2.193 2.093 2.293 2.126 2.117 2.134 . 0 0 "[ . 1 ]" 1
241 1 14 C H2' 1 14 C H6 4.000 3.900 4.100 3.924 3.896 3.960 0.004 5 0 "[ . 1 ]" 1
242 1 14 C H2' 1 15 U H1' 4.192 4.092 4.292 4.229 4.135 4.296 0.004 4 0 "[ . 1 ]" 1
243 1 14 C H2' 1 15 U H3' 4.263 4.163 4.363 4.243 4.205 4.310 . 0 0 "[ . 1 ]" 1
244 1 14 C H2' 1 15 U H4' 4.441 4.341 4.541 4.413 4.352 4.455 . 0 0 "[ . 1 ]" 1
245 1 14 C H2' 1 15 U H5' 2.891 2.791 2.991 2.849 2.787 2.907 0.004 9 0 "[ . 1 ]" 1
246 1 14 C H2' 1 15 U H5'' 4.268 4.168 4.368 4.237 4.188 4.291 . 0 0 "[ . 1 ]" 1
247 1 14 C H2' 1 15 U H6 1.566 . 1.666 1.713 1.705 1.730 0.064 1 0 "[ . 1 ]" 1
248 1 14 C H2' 1 15 U H5 3.030 2.930 3.130 3.123 3.074 3.135 0.005 1 0 "[ . 1 ]" 1
249 1 14 C H3' 1 14 C H4' 3.007 2.907 3.107 3.009 3.004 3.014 . 0 0 "[ . 1 ]" 1
250 1 14 C H3' 1 14 C H5' 3.686 3.586 3.786 3.701 3.670 3.722 . 0 0 "[ . 1 ]" 1
251 1 14 C H3' 1 14 C H5'' 3.085 2.985 3.185 3.055 3.021 3.158 . 0 0 "[ . 1 ]" 1
252 1 14 C H3' 1 14 C HO2' 3.993 3.893 4.093 3.928 3.893 3.951 0.000 9 0 "[ . 1 ]" 1
253 1 14 C H3' 1 14 C H6 2.989 2.889 3.089 2.873 2.855 2.890 0.034 6 0 "[ . 1 ]" 1
254 1 14 C H3' 1 14 C H5 4.769 4.669 4.869 4.658 4.642 4.690 0.027 3 0 "[ . 1 ]" 1
255 1 14 C H3' 1 15 U H5' 3.958 3.858 4.058 3.991 3.855 4.069 0.011 1 0 "[ . 1 ]" 1
256 1 14 C H3' 1 15 U H5'' 4.907 4.807 5.007 4.970 4.915 5.001 . 0 0 "[ . 1 ]" 1
257 1 14 C H3' 1 15 U H6 3.100 3.000 3.200 3.179 3.066 3.227 0.027 7 0 "[ . 1 ]" 1
258 1 14 C H3' 1 15 U H5 3.248 3.148 3.348 3.339 3.253 3.366 0.018 7 0 "[ . 1 ]" 1
259 1 14 C H4' 1 14 C H5' 2.534 2.434 2.634 2.502 2.484 2.544 . 0 0 "[ . 1 ]" 1
260 1 14 C H4' 1 14 C H5'' 2.370 2.270 2.470 2.358 2.320 2.373 . 0 0 "[ . 1 ]" 1
261 1 14 C H4' 1 14 C HO2' 3.778 3.678 3.878 3.737 3.695 3.776 . 0 0 "[ . 1 ]" 1
262 1 14 C H4' 1 14 C H6 4.053 3.953 4.153 4.007 3.982 4.040 . 0 0 "[ . 1 ]" 1
263 1 14 C H4' 1 15 U H5' 4.167 4.067 4.267 4.184 4.063 4.270 0.004 10 0 "[ . 1 ]" 1
264 1 14 C H5' 1 14 C H5'' 1.776 . 1.876 1.775 1.774 1.777 . 0 0 "[ . 1 ]" 1
265 1 14 C H5' 1 14 C H6 3.241 3.141 3.341 3.273 3.221 3.347 0.006 1 0 "[ . 1 ]" 1
266 1 14 C H5'' 1 14 C H6 4.056 3.956 4.156 3.979 3.912 4.093 0.044 2 0 "[ . 1 ]" 1
267 1 14 C HO2' 1 15 U H1' 4.151 4.051 4.251 4.191 4.047 4.277 0.026 9 0 "[ . 1 ]" 1
268 1 14 C HO2' 1 15 U H3' 4.845 4.745 4.945 4.797 4.743 4.858 0.002 7 0 "[ . 1 ]" 1
269 1 14 C HO2' 1 15 U H4' 3.521 3.421 3.621 3.505 3.416 3.613 0.005 10 0 "[ . 1 ]" 1
270 1 14 C HO2' 1 15 U H5' 1.994 . 2.094 1.921 1.890 1.980 0.004 6 0 "[ . 1 ]" 1
271 1 14 C HO2' 1 15 U H5'' 3.738 3.638 3.838 3.666 3.636 3.735 0.002 5 0 "[ . 1 ]" 1
272 1 14 C HO2' 1 15 U H6 3.200 3.100 3.300 3.279 3.229 3.301 0.001 1 0 "[ . 1 ]" 1
273 1 14 C H41 1 14 C H42 1.784 . 1.884 1.747 1.744 1.750 . 0 0 "[ . 1 ]" 1
274 1 14 C H42 1 14 C H6 4.650 4.550 4.750 4.628 4.618 4.634 . 0 0 "[ . 1 ]" 1
275 1 14 C H42 1 14 C H5 2.425 2.325 2.525 2.418 2.410 2.426 . 0 0 "[ . 1 ]" 1
276 1 14 C H42 1 15 U H5 4.531 4.431 4.631 4.485 4.431 4.589 0.000 2 0 "[ . 1 ]" 1
277 1 14 C H41 1 14 C H5 3.708 3.608 3.808 3.672 3.666 3.677 . 0 0 "[ . 1 ]" 1
278 1 14 C H41 1 15 U H3 4.568 4.468 4.668 4.538 4.459 4.671 0.009 2 0 "[ . 1 ]" 1
279 1 14 C H41 1 15 U H5 4.454 4.354 4.554 4.425 4.354 4.559 0.005 5 0 "[ . 1 ]" 1
280 1 14 C H5 1 14 C H6 2.456 2.356 2.556 2.437 2.433 2.439 . 0 0 "[ . 1 ]" 1
281 1 14 C H6 1 15 U H6 4.950 4.850 5.050 4.955 4.872 4.999 . 0 0 "[ . 1 ]" 1
282 1 14 C H6 1 15 U H5 3.980 3.880 4.080 4.030 3.907 4.110 0.030 10 0 "[ . 1 ]" 1
283 1 14 C H5 1 15 U H5 4.017 3.917 4.117 4.005 3.900 4.085 0.017 9 0 "[ . 1 ]" 1
284 1 15 U H1' 1 15 U H2' 2.805 2.705 2.905 2.804 2.800 2.808 . 0 0 "[ . 1 ]" 1
285 1 15 U H1' 1 15 U H3' 3.857 3.757 3.957 3.856 3.852 3.863 . 0 0 "[ . 1 ]" 1
286 1 15 U H1' 1 15 U H4' 3.397 3.297 3.497 3.371 3.363 3.379 . 0 0 "[ . 1 ]" 1
287 1 15 U H1' 1 15 U H5' 4.576 4.476 4.676 4.566 4.538 4.587 . 0 0 "[ . 1 ]" 1
288 1 15 U H1' 1 15 U HO2' 2.990 2.890 3.090 2.942 2.888 3.029 0.002 10 0 "[ . 1 ]" 1
289 1 15 U H1' 1 15 U H3 4.622 4.522 4.722 4.578 4.563 4.590 . 0 0 "[ . 1 ]" 1
290 1 15 U H1' 1 15 U H6 3.514 3.414 3.614 3.540 3.520 3.552 . 0 0 "[ . 1 ]" 1
291 1 15 U H1' 1 16 G H5' 4.677 4.577 4.777 4.647 4.575 4.734 0.002 5 0 "[ . 1 ]" 1
292 1 15 U H1' 1 16 G H8 4.320 4.220 4.420 4.420 4.383 4.464 0.044 1 0 "[ . 1 ]" 1
293 1 15 U H2' 1 15 U H3' 2.425 2.325 2.525 2.409 2.406 2.412 . 0 0 "[ . 1 ]" 1
294 1 15 U H2' 1 15 U H4' 3.813 3.713 3.913 3.803 3.794 3.811 . 0 0 "[ . 1 ]" 1
295 1 15 U H2' 1 15 U HO2' 2.193 2.093 2.293 2.124 2.117 2.134 . 0 0 "[ . 1 ]" 1
296 1 15 U H2' 1 15 U H3 4.540 4.440 4.640 4.541 4.496 4.563 . 0 0 "[ . 1 ]" 1
297 1 15 U H2' 1 15 U H6 4.005 3.905 4.105 3.895 3.871 3.919 0.034 6 0 "[ . 1 ]" 1
298 1 15 U H2' 1 16 G H1' 4.192 4.092 4.292 4.180 4.073 4.305 0.019 2 0 "[ . 1 ]" 1
299 1 15 U H2' 1 16 G H3' 4.263 4.163 4.363 4.215 4.161 4.265 0.002 3 0 "[ . 1 ]" 1
300 1 15 U H2' 1 16 G H4' 4.442 4.342 4.542 4.377 4.309 4.515 0.033 1 0 "[ . 1 ]" 1
301 1 15 U H2' 1 16 G H5' 2.891 2.791 2.991 2.854 2.781 2.934 0.010 6 0 "[ . 1 ]" 1
302 1 15 U H2' 1 16 G H5'' 4.268 4.168 4.368 4.244 4.190 4.341 . 0 0 "[ . 1 ]" 1
303 1 15 U H2' 1 16 G H8 1.673 . 1.773 1.792 1.777 1.820 0.047 1 0 "[ . 1 ]" 1
304 1 15 U H3' 1 15 U H4' 3.007 2.907 3.107 3.009 3.005 3.012 . 0 0 "[ . 1 ]" 1
305 1 15 U H3' 1 15 U H5' 3.686 3.586 3.786 3.681 3.639 3.704 . 0 0 "[ . 1 ]" 1
306 1 15 U H3' 1 15 U H5'' 3.085 2.985 3.185 3.093 3.045 3.139 . 0 0 "[ . 1 ]" 1
307 1 15 U H3' 1 15 U HO2' 3.993 3.893 4.093 3.916 3.878 3.944 0.015 7 0 "[ . 1 ]" 1
308 1 15 U H3' 1 15 U H6 2.992 2.892 3.092 2.880 2.851 2.953 0.041 7 0 "[ . 1 ]" 1
309 1 15 U H3' 1 15 U H5 4.723 4.623 4.823 4.680 4.644 4.723 . 0 0 "[ . 1 ]" 1
310 1 15 U H3' 1 16 G H5' 3.958 3.858 4.058 3.976 3.904 4.077 0.019 1 0 "[ . 1 ]" 1
311 1 15 U H3' 1 16 G H5'' 4.908 4.808 5.008 4.956 4.910 5.011 0.003 1 0 "[ . 1 ]" 1
312 1 15 U H3' 1 16 G H8 3.024 2.924 3.124 3.080 2.881 3.161 0.043 9 0 "[ . 1 ]" 1
313 1 15 U H4' 1 15 U H5' 2.533 2.433 2.633 2.523 2.500 2.561 . 0 0 "[ . 1 ]" 1
314 1 15 U H4' 1 15 U H5'' 2.370 2.270 2.470 2.339 2.313 2.357 . 0 0 "[ . 1 ]" 1
315 1 15 U H4' 1 15 U HO2' 3.778 3.678 3.878 3.744 3.716 3.775 . 0 0 "[ . 1 ]" 1
316 1 15 U H4' 1 15 U H6 4.039 3.939 4.139 4.035 4.026 4.050 . 0 0 "[ . 1 ]" 1
317 1 15 U H4' 1 16 G H5' 4.167 4.067 4.267 4.236 4.187 4.295 0.028 2 0 "[ . 1 ]" 1
318 1 15 U H5' 1 15 U H5'' 1.776 . 1.876 1.774 1.773 1.775 . 0 0 "[ . 1 ]" 1
319 1 15 U H5' 1 15 U H6 3.223 3.123 3.323 3.279 3.186 3.338 0.015 6 0 "[ . 1 ]" 1
320 1 15 U H5'' 1 15 U H6 4.044 3.944 4.144 4.050 4.023 4.101 . 0 0 "[ . 1 ]" 1
321 1 15 U HO2' 1 16 G H1' 4.151 4.051 4.251 4.202 4.034 4.283 0.032 6 0 "[ . 1 ]" 1
322 1 15 U HO2' 1 16 G H3' 4.845 4.745 4.945 4.821 4.769 4.898 . 0 0 "[ . 1 ]" 1
323 1 15 U HO2' 1 16 G H4' 3.521 3.421 3.621 3.519 3.415 3.621 0.006 10 0 "[ . 1 ]" 1
324 1 15 U HO2' 1 16 G H5' 1.995 . 2.095 1.943 1.898 2.008 . 0 0 "[ . 1 ]" 1
325 1 15 U HO2' 1 16 G H5'' 3.738 3.638 3.838 3.688 3.644 3.731 . 0 0 "[ . 1 ]" 1
326 1 15 U HO2' 1 16 G H8 3.488 3.388 3.588 3.539 3.470 3.587 . 0 0 "[ . 1 ]" 1
327 1 15 U H3 1 15 U H6 4.817 4.717 4.917 4.772 4.770 4.774 . 0 0 "[ . 1 ]" 1
328 1 15 U H3 1 15 U H5 4.231 4.131 4.331 4.201 4.197 4.205 . 0 0 "[ . 1 ]" 1
329 1 15 U H3 1 16 G H8 4.402 4.302 4.502 4.425 4.328 4.519 0.017 9 0 "[ . 1 ]" 1
330 1 15 U H5 1 15 U H6 2.416 2.316 2.516 2.403 2.402 2.404 . 0 0 "[ . 1 ]" 1
331 1 15 U H6 1 16 G H8 4.761 4.661 4.861 4.663 4.602 4.716 0.059 2 0 "[ . 1 ]" 1
332 1 16 G H1' 1 16 G H2' 2.805 2.705 2.905 2.801 2.787 2.812 . 0 0 "[ . 1 ]" 1
333 1 16 G H1' 1 16 G H3' 3.857 3.757 3.957 3.836 3.830 3.848 . 0 0 "[ . 1 ]" 1
334 1 16 G H1' 1 16 G H4' 3.397 3.298 3.497 3.350 3.311 3.415 . 0 0 "[ . 1 ]" 1
335 1 16 G H1' 1 16 G H5' 4.577 4.477 4.677 4.566 4.534 4.608 . 0 0 "[ . 1 ]" 1
336 1 16 G H1' 1 16 G H21 4.775 4.675 4.875 4.733 4.706 4.760 . 0 0 "[ . 1 ]" 1
337 1 16 G H1' 1 16 G H8 3.727 3.627 3.827 3.686 3.672 3.695 . 0 0 "[ . 1 ]" 1
338 1 16 G H1' 1 17 C H5' 4.677 4.577 4.777 4.746 4.707 4.787 0.010 6 0 "[ . 1 ]" 1
339 1 16 G H1' 1 17 C H6 4.298 4.198 4.398 4.445 4.431 4.460 0.062 4 0 "[ . 1 ]" 1
340 1 16 G H1' 1 17 C H5 4.980 4.880 5.080 5.053 5.018 5.083 0.003 1 0 "[ . 1 ]" 1
341 1 16 G H2' 1 16 G H3' 2.425 2.325 2.525 2.417 2.413 2.420 . 0 0 "[ . 1 ]" 1
342 1 16 G H2' 1 16 G H4' 3.812 3.712 3.912 3.773 3.765 3.792 . 0 0 "[ . 1 ]" 1
343 1 16 G H2' 1 16 G HO2' 2.946 2.846 3.046 2.851 2.848 2.853 . 0 0 "[ . 1 ]" 1
344 1 16 G H2' 1 16 G H21 4.702 4.602 4.802 4.699 4.675 4.750 . 0 0 "[ . 1 ]" 1
345 1 16 G H2' 1 16 G H8 4.150 4.050 4.250 4.066 4.053 4.091 . 0 0 "[ . 1 ]" 1
346 1 16 G H2' 1 17 C H1' 4.192 4.092 4.292 4.248 4.186 4.284 . 0 0 "[ . 1 ]" 1
347 1 16 G H2' 1 17 C H3' 4.263 4.163 4.363 4.307 4.274 4.340 . 0 0 "[ . 1 ]" 1
348 1 16 G H2' 1 17 C H4' 4.442 4.342 4.542 4.429 4.402 4.483 . 0 0 "[ . 1 ]" 1
349 1 16 G H2' 1 17 C H5' 2.890 2.790 2.990 2.889 2.846 2.923 . 0 0 "[ . 1 ]" 1
350 1 16 G H2' 1 17 C H5'' 4.268 4.168 4.368 4.255 4.206 4.325 . 0 0 "[ . 1 ]" 1
351 1 16 G H2' 1 17 C H6 1.583 . 1.683 1.744 1.737 1.758 0.075 1 0 "[ . 1 ]" 1
352 1 16 G H2' 1 17 C H5 3.090 2.990 3.190 3.182 3.117 3.218 0.028 6 0 "[ . 1 ]" 1
353 1 16 G H3' 1 16 G H4' 3.006 2.906 3.106 3.015 3.012 3.017 . 0 0 "[ . 1 ]" 1
354 1 16 G H3' 1 16 G H5' 3.686 3.586 3.786 3.697 3.664 3.728 . 0 0 "[ . 1 ]" 1
355 1 16 G H3' 1 16 G H5'' 3.085 2.985 3.185 3.129 3.032 3.198 0.013 7 0 "[ . 1 ]" 1
356 1 16 G H3' 1 16 G HO2' 3.596 3.496 3.696 3.490 3.484 3.495 0.012 6 0 "[ . 1 ]" 1
357 1 16 G H3' 1 16 G H8 3.196 3.096 3.296 3.075 3.042 3.159 0.054 2 0 "[ . 1 ]" 1
358 1 16 G H3' 1 17 C H5' 3.958 3.858 4.058 4.056 3.984 4.077 0.019 1 0 "[ . 1 ]" 1
359 1 16 G H3' 1 17 C H5'' 4.908 4.808 5.008 4.980 4.967 4.998 . 0 0 "[ . 1 ]" 1
360 1 16 G H3' 1 17 C H6 3.105 3.005 3.205 3.136 3.079 3.188 . 0 0 "[ . 1 ]" 1
361 1 16 G H3' 1 17 C H5 3.314 3.214 3.414 3.292 3.210 3.416 0.004 9 0 "[ . 1 ]" 1
362 1 16 G H4' 1 16 G H5' 2.534 2.434 2.634 2.523 2.477 2.560 . 0 0 "[ . 1 ]" 1
363 1 16 G H4' 1 16 G H5'' 2.371 2.271 2.471 2.344 2.314 2.383 . 0 0 "[ . 1 ]" 1
364 1 16 G H4' 1 16 G HO2' 2.043 . 2.143 2.006 1.994 2.033 . 0 0 "[ . 1 ]" 1
365 1 16 G H4' 1 16 G H8 4.410 4.310 4.510 4.357 4.297 4.384 0.013 9 0 "[ . 1 ]" 1
366 1 16 G H4' 1 17 C H5' 4.167 4.067 4.267 4.306 4.295 4.316 0.049 8 0 "[ . 1 ]" 1
367 1 16 G H5' 1 16 G H5'' 1.776 . 1.876 1.774 1.773 1.776 . 0 0 "[ . 1 ]" 1
368 1 16 G H5' 1 16 G HO2' 4.410 4.310 4.510 4.431 4.403 4.476 . 0 0 "[ . 1 ]" 1
369 1 16 G H5' 1 16 G H8 3.565 3.465 3.665 3.609 3.492 3.678 0.013 10 0 "[ . 1 ]" 1
370 1 16 G H5'' 1 16 G HO2' 4.310 4.210 4.410 4.188 4.173 4.207 0.037 7 0 "[ . 1 ]" 1
371 1 16 G H5'' 1 16 G H8 4.368 4.268 4.468 4.389 4.252 4.480 0.016 9 0 "[ . 1 ]" 1
372 1 16 G HO2' 1 17 C H5' 2.941 2.841 3.041 2.838 2.827 2.845 0.014 6 0 "[ . 1 ]" 1
373 1 16 G HO2' 1 17 C H5'' 4.601 4.501 4.701 4.462 4.450 4.472 0.051 11 0 "[ . 1 ]" 1
374 1 16 G HO2' 1 17 C H6 4.372 4.272 4.472 4.397 4.357 4.426 . 0 0 "[ . 1 ]" 1
375 1 16 G H21 1 16 G H22 1.784 . 1.884 1.752 1.750 1.755 . 0 0 "[ . 1 ]" 1
376 1 16 G H1 1 16 G H21 3.480 3.380 3.580 3.462 3.459 3.465 . 0 0 "[ . 1 ]" 1
377 1 16 G H21 1 17 C H1' 3.255 3.155 3.355 3.320 3.248 3.361 0.006 4 0 "[ . 1 ]" 1
378 1 16 G H21 1 17 C H6 4.826 4.726 4.926 4.942 4.933 4.956 0.030 10 0 "[ . 1 ]" 1
379 1 16 G H1 1 16 G H22 2.169 2.069 2.269 2.207 2.197 2.210 . 0 0 "[ . 1 ]" 1
380 1 16 G H22 1 17 C H1' 4.205 4.105 4.305 4.107 4.074 4.168 0.031 10 0 "[ . 1 ]" 1
381 1 16 G H8 1 17 C H5 3.899 3.799 3.999 3.808 3.769 3.904 0.030 6 0 "[ . 1 ]" 1
382 1 16 G H1 1 17 C H42 4.353 4.253 4.453 4.455 4.321 4.476 0.023 11 0 "[ . 1 ]" 1
383 1 16 G H1 1 17 C H41 3.748 3.648 3.848 3.775 3.644 3.824 0.004 1 0 "[ . 1 ]" 1
384 1 16 G H1 1 17 C H5 4.950 4.850 5.050 5.024 4.942 5.059 0.009 5 0 "[ . 1 ]" 1
385 1 5 A H1' 1 6 C H6 3.400 2.700 4.100 4.353 4.300 4.399 0.299 11 0 "[ . 1 ]" 1
386 1 5 A H2' 1 6 C H6 2.600 2.100 3.100 1.954 1.898 2.010 0.202 8 0 "[ . 1 ]" 1
387 1 5 A H3' 1 6 C H6 2.700 2.200 3.200 2.897 2.610 3.213 0.013 1 0 "[ . 1 ]" 1
388 1 5 A H2' 1 6 C H1' 3.500 2.800 4.200 4.226 4.093 4.285 0.085 7 0 "[ . 1 ]" 1
389 1 5 A H3' 1 6 C H5 4.000 3.200 4.800 3.346 3.156 3.789 0.044 9 0 "[ . 1 ]" 1
390 1 5 A H4' 1 6 C H5 4.000 . 6.800 6.107 5.864 6.538 . 0 0 "[ . 1 ]" 1
391 1 6 C H1' 1 6 C H2' 2.500 . 3.000 2.831 2.822 2.846 . 0 0 "[ . 1 ]" 1
392 1 6 C H1' 1 6 C H6 3.500 2.800 4.200 3.572 3.551 3.603 . 0 0 "[ . 1 ]" 1
393 1 6 C H2' 1 6 C H6 3.100 2.500 3.700 3.750 3.682 3.785 0.085 6 0 "[ . 1 ]" 1
394 1 6 C H2' 1 7 U H6 2.700 2.200 3.200 2.796 2.305 3.077 . 0 0 "[ . 1 ]" 1
395 1 6 C H3' 1 7 U H6 3.000 2.400 3.600 3.242 3.017 3.430 . 0 0 "[ . 1 ]" 1
396 1 5 A H8 1 6 C H5 3.900 3.100 4.700 3.382 3.029 3.730 0.071 9 0 "[ . 1 ]" 1
397 1 6 C H5 1 6 C H6 2.400 . 2.900 2.436 2.432 2.440 . 0 0 "[ . 1 ]" 1
398 1 6 C H5 1 7 U H6 3.800 3.000 4.600 4.680 4.647 4.717 0.117 11 0 "[ . 1 ]" 1
399 1 6 C H5' 1 6 C H6 4.000 3.200 4.800 3.375 3.187 3.672 0.013 4 0 "[ . 1 ]" 1
400 1 6 C H2' 1 6 C H5 4.500 3.600 5.400 5.184 5.134 5.224 . 0 0 "[ . 1 ]" 1
401 1 6 C H2' 1 7 U H1' 4.000 3.200 4.800 4.879 4.827 4.942 0.142 11 0 "[ . 1 ]" 1
402 1 6 C H1' 1 6 C H3' 4.000 3.200 4.800 3.874 3.852 3.899 . 0 0 "[ . 1 ]" 1
403 1 6 C H3' 1 6 C H5 4.000 3.200 4.800 4.669 4.523 4.803 0.003 1 0 "[ . 1 ]" 1
404 1 6 C H3' 1 6 C H6 2.700 2.200 3.200 2.814 2.701 2.913 . 0 0 "[ . 1 ]" 1
405 1 5 A H2 1 6 C H5 4.000 . 6.800 5.903 5.407 6.528 . 0 0 "[ . 1 ]" 1
406 1 6 C H5' 1 7 U H6 4.000 . 6.800 6.711 6.493 6.827 0.027 10 0 "[ . 1 ]" 1
407 1 7 U H1' 1 7 U H6 2.900 2.300 3.500 3.661 3.654 3.665 0.165 7 0 "[ . 1 ]" 1
408 1 7 U H1' 1 8 70U H6 4.200 3.400 5.000 5.062 4.909 5.113 0.113 1 0 "[ . 1 ]" 1
409 1 7 U H1' 1 9 U H6 4.400 3.500 5.300 5.036 4.423 5.338 0.038 2 0 "[ . 1 ]" 1
410 1 7 U H2' 1 7 U H5 4.200 3.400 4.400 4.573 4.537 4.606 0.206 10 0 "[ . 1 ]" 1
411 1 7 U H2' 1 7 U H6 3.000 2.400 3.600 3.041 3.002 3.108 . 0 0 "[ . 1 ]" 1
412 1 7 U H2' 1 8 70U H6 3.500 2.800 4.200 4.320 4.291 4.349 0.149 3 0 "[ . 1 ]" 1
413 1 7 U H3' 1 7 U H6 2.700 2.200 3.200 2.356 2.234 2.476 . 0 0 "[ . 1 ]" 1
414 1 6 C H6 1 7 U H5 4.300 3.400 5.200 3.779 3.555 4.010 . 0 0 "[ . 1 ]" 1
415 1 7 U H5 1 7 U H6 2.500 . 3.000 2.392 2.383 2.395 . 0 0 "[ . 1 ]" 1
416 1 7 U H1' 1 7 U H5' 4.500 3.600 5.400 4.357 4.337 4.374 . 0 0 "[ . 1 ]" 1
417 1 7 U H5' 1 7 U H6 3.400 2.700 4.100 3.660 3.520 4.025 . 0 0 "[ . 1 ]" 1
418 1 8 70U H1' 1 8 70U H6 3.000 2.400 3.600 3.376 3.352 3.543 . 0 0 "[ . 1 ]" 1
419 1 8 70U H1' 1 9 U H6 4.100 3.300 4.900 4.915 4.901 4.931 0.031 10 0 "[ . 1 ]" 1
420 1 8 70U H1' 1 8 70U H2' 2.400 . 2.900 2.726 2.712 2.808 . 0 0 "[ . 1 ]" 1
421 1 8 70U H2' 1 8 70U H6 4.000 3.200 4.800 4.262 3.692 4.333 . 0 0 "[ . 1 ]" 1
422 1 8 70U H1' 1 8 70U H3' 3.100 2.500 3.700 3.862 3.837 3.878 0.178 4 0 "[ . 1 ]" 1
423 1 8 70U H3' 1 8 70U H6 3.000 2.400 3.600 3.361 2.661 3.464 . 0 0 "[ . 1 ]" 1
424 1 8 70U H3' 1 9 U H6 2.300 . 2.800 2.569 2.210 2.855 0.055 9 0 "[ . 1 ]" 1
425 1 8 70U H1' 1 8 70U H4' 3.500 2.800 4.200 3.786 3.316 3.836 . 0 0 "[ . 1 ]" 1
426 1 8 70U H5' 1 8 70U H6 3.500 2.800 4.200 2.561 2.532 2.616 0.268 4 0 "[ . 1 ]" 1
427 1 9 U H1' 1 9 U H6 3.100 2.500 3.700 3.597 3.543 3.642 . 0 0 "[ . 1 ]" 1
428 1 9 U H1' 1 10 U H6 4.200 3.400 5.000 5.034 5.000 5.070 0.070 11 0 "[ . 1 ]" 1
429 1 9 U H1' 1 9 U H2' 2.800 2.200 3.400 2.787 2.768 2.815 . 0 0 "[ . 1 ]" 1
430 1 9 U H2' 1 9 U H6 3.400 2.700 4.100 3.767 3.583 3.935 . 0 0 "[ . 1 ]" 1
431 1 9 U H2' 1 10 U H6 3.000 2.400 3.600 2.345 2.312 2.373 0.088 8 0 "[ . 1 ]" 1
432 1 9 U H3' 1 10 U H5 4.000 3.200 4.800 3.667 3.193 3.907 0.007 11 0 "[ . 1 ]" 1
433 1 9 U H5 1 9 U H6 2.400 . 2.900 2.406 2.401 2.408 . 0 0 "[ . 1 ]" 1
434 1 9 U H1' 1 9 U H3' 4.000 3.200 4.800 3.837 3.807 3.874 . 0 0 "[ . 1 ]" 1
435 1 9 U H3' 1 9 U H6 3.000 2.400 3.600 2.584 2.411 2.840 . 0 0 "[ . 1 ]" 1
436 1 9 U H3' 1 10 U H6 3.000 2.400 3.600 3.547 2.842 3.676 0.076 7 0 "[ . 1 ]" 1
437 1 10 U H1' 1 10 U H6 2.900 2.300 3.500 3.628 3.585 3.647 0.147 10 0 "[ . 1 ]" 1
438 1 10 U H1' 1 10 U H2' 2.600 2.100 3.100 2.810 2.794 2.822 . 0 0 "[ . 1 ]" 1
439 1 10 U H2' 1 10 U H5 4.200 3.400 5.000 5.028 5.011 5.084 0.084 11 0 "[ . 1 ]" 1
440 1 10 U H2' 1 10 U H6 3.200 2.600 3.800 3.472 3.408 3.646 . 0 0 "[ . 1 ]" 1
441 1 10 U H1' 1 10 U H3' 3.200 2.600 3.800 3.845 3.826 3.860 0.060 2 0 "[ . 1 ]" 1
442 1 10 U H5 1 10 U H6 2.500 . 3.000 2.408 2.405 2.410 . 0 0 "[ . 1 ]" 1
443 1 10 U H5' 1 10 U H6 4.300 3.400 5.200 3.571 3.373 3.843 0.027 7 0 "[ . 1 ]" 1
444 1 10 U H5'' 1 10 U H6 3.400 2.700 4.100 3.983 3.812 4.117 0.017 9 0 "[ . 1 ]" 1
445 1 11 12A H1' 1 11 12A H8 3.000 2.400 3.600 3.713 3.706 3.724 0.124 10 0 "[ . 1 ]" 1
446 1 11 12A H1' 1 12 A H8 4.200 3.400 5.000 4.476 4.383 4.553 . 0 0 "[ . 1 ]" 1
447 1 11 12A H1' 1 11 12A H2' 2.700 2.200 3.200 2.749 2.743 2.755 . 0 0 "[ . 1 ]" 1
448 1 11 12A H2' 1 11 12A H8 4.000 3.200 4.800 4.059 4.031 4.089 . 0 0 "[ . 1 ]" 1
449 1 11 12A H2' 1 12 A H8 2.900 2.300 3.500 2.258 2.239 2.279 0.061 5 0 "[ . 1 ]" 1
450 1 11 12A H2' 1 11 12A H3' 2.500 . 3.000 2.424 2.421 2.427 . 0 0 "[ . 1 ]" 1
451 1 11 12A H3' 1 11 12A H8 2.500 . 3.000 2.956 2.887 3.003 0.003 5 0 "[ . 1 ]" 1
452 1 11 12A H1' 1 11 12A H5' 4.000 3.200 4.800 4.742 4.627 4.815 0.015 9 0 "[ . 1 ]" 1
453 1 11 12A H5' 1 11 12A H8 3.000 2.400 3.600 3.494 3.332 3.639 0.039 1 0 "[ . 1 ]" 1
454 1 11 12A H1' 1 11 12A H5'' 4.000 . 6.800 5.206 5.176 5.237 . 0 0 "[ . 1 ]" 1
455 1 11 12A HA 1 11 12A HG1 3.200 2.600 3.800 3.257 2.943 3.535 . 0 0 "[ . 1 ]" 1
456 1 11 12A HB 1 11 12A HG1 2.600 2.100 3.100 2.519 2.127 2.859 . 0 0 "[ . 1 ]" 1
457 1 11 12A HG1 1 12 A H2 3.000 2.400 3.600 4.742 4.346 5.152 1.552 5 11 [-***+******] 1
458 1 12 A H1' 1 12 A H8 3.000 2.400 3.600 3.679 3.668 3.697 0.097 10 0 "[ . 1 ]" 1
459 1 11 12A H2' 1 12 A H2' 4.400 3.500 5.300 4.870 4.843 4.892 . 0 0 "[ . 1 ]" 1
460 1 12 A H2' 1 12 A H8 4.000 3.200 4.800 4.126 4.069 4.161 . 0 0 "[ . 1 ]" 1
461 1 11 12A H8 1 12 A H3' 4.000 . 6.800 6.954 6.938 6.967 0.167 2 0 "[ . 1 ]" 1
462 1 12 A H3' 1 12 A H8 3.700 3.000 4.400 3.120 3.039 3.221 . 0 0 "[ . 1 ]" 1
463 1 12 A H2 1 13 U H1' 2.800 2.200 3.400 3.052 2.695 3.409 0.009 9 0 "[ . 1 ]" 1
464 1 12 A H8 1 13 U H5 4.200 3.400 5.000 3.973 3.519 4.337 . 0 0 "[ . 1 ]" 1
465 1 12 A H1' 1 13 U H6 4.000 . 6.800 4.765 4.682 4.937 . 0 0 "[ . 1 ]" 1
466 1 11 12A H1' 1 12 A H2' 4.000 . 6.800 7.055 7.038 7.071 0.271 1 0 "[ . 1 ]" 1
467 1 12 A H1' 1 12 A H2' 2.400 . 3.000 2.769 2.760 2.788 . 0 0 "[ . 1 ]" 1
468 1 12 A H2' 1 13 U H6 3.000 2.400 3.600 2.319 2.273 2.384 0.127 6 0 "[ . 1 ]" 1
469 1 11 12A H2' 1 12 A H3' 4.000 3.200 4.800 3.772 3.739 3.805 . 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 26
_Distance_constraint_stats_list.Viol_count 2
_Distance_constraint_stats_list.Viol_total 0.171
_Distance_constraint_stats_list.Viol_max 0.013
_Distance_constraint_stats_list.Viol_rms 0.0008
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0078
_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 0.000 0.000 . 0 "[ . 1 ]"
1 2 C 0.000 0.000 . 0 "[ . 1 ]"
1 3 A 0.000 0.000 . 0 "[ . 1 ]"
1 4 G 0.016 0.013 9 0 "[ . 1 ]"
1 5 A 0.000 0.000 . 0 "[ . 1 ]"
1 13 U 0.000 0.000 . 0 "[ . 1 ]"
1 14 C 0.016 0.013 9 0 "[ . 1 ]"
1 15 U 0.000 0.000 . 0 "[ . 1 ]"
1 16 G 0.000 0.000 . 0 "[ . 1 ]"
1 17 C 0.000 0.000 . 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 17 C N3 2.910 2.010 3.810 2.891 2.735 3.735 . 0 0 "[ . 1 ]" 2
2 1 1 G O6 1 17 C N4 2.710 . 3.610 3.052 2.843 3.588 . 0 0 "[ . 1 ]" 2
3 1 1 G N2 1 17 C O2 3.080 2.180 3.980 2.681 2.432 3.919 . 0 0 "[ . 1 ]" 2
4 1 1 G H1 1 17 C N3 1.890 . 2.790 1.893 1.732 2.767 . 0 0 "[ . 1 ]" 2
5 1 1 G O6 1 17 C H41 1.710 . 2.610 2.067 1.854 2.605 . 0 0 "[ . 1 ]" 2
6 1 1 G H22 1 17 C O2 2.080 . 2.980 1.695 1.421 2.936 . 0 0 "[ . 1 ]" 2
7 1 2 C N3 1 16 G N1 2.910 2.010 3.810 2.738 2.662 3.000 . 0 0 "[ . 1 ]" 2
8 1 2 C N4 1 16 G O6 2.710 . 3.610 2.841 2.776 2.960 . 0 0 "[ . 1 ]" 2
9 1 2 C O2 1 16 G N2 3.080 2.180 3.980 2.552 2.407 3.149 . 0 0 "[ . 1 ]" 2
10 1 2 C N3 1 16 G H1 1.890 . 2.790 1.740 1.662 2.024 . 0 0 "[ . 1 ]" 2
11 1 2 C H41 1 16 G O6 1.710 . 2.610 1.852 1.789 1.962 . 0 0 "[ . 1 ]" 2
12 1 2 C O2 1 16 G H22 2.080 . 2.980 1.579 1.394 2.227 . 0 0 "[ . 1 ]" 2
13 1 3 A N1 1 15 U N3 2.950 2.050 3.850 2.629 2.527 2.908 . 0 0 "[ . 1 ]" 2
14 1 3 A N6 1 15 U O4 2.830 . 3.730 2.660 2.535 2.894 . 0 0 "[ . 1 ]" 2
15 1 3 A N1 1 15 U H3 1.930 . 2.830 1.642 1.534 1.907 . 0 0 "[ . 1 ]" 2
16 1 3 A H61 1 15 U O4 1.820 . 2.720 1.699 1.542 1.893 . 0 0 "[ . 1 ]" 2
17 1 4 G N1 1 14 C N3 2.910 2.010 3.810 2.777 2.611 3.413 . 0 0 "[ . 1 ]" 2
18 1 4 G O6 1 14 C N4 2.710 . 3.610 2.763 2.603 2.925 . 0 0 "[ . 1 ]" 2
19 1 4 G N2 1 14 C O2 3.080 2.180 3.980 2.680 2.423 3.983 0.003 9 0 "[ . 1 ]" 2
20 1 4 G H1 1 14 C N3 1.890 . 2.790 1.798 1.671 2.455 . 0 0 "[ . 1 ]" 2
21 1 4 G O6 1 14 C H41 1.710 . 2.610 1.803 1.707 1.975 . 0 0 "[ . 1 ]" 2
22 1 4 G H22 1 14 C O2 2.080 . 2.980 1.678 1.410 2.993 0.013 9 0 "[ . 1 ]" 2
23 1 5 A N1 1 13 U N3 2.950 2.050 3.850 2.819 2.545 3.515 . 0 0 "[ . 1 ]" 2
24 1 5 A N6 1 13 U O4 2.830 . 3.730 2.594 2.406 3.284 . 0 0 "[ . 1 ]" 2
25 1 5 A N1 1 13 U H3 1.930 . 2.830 1.822 1.545 2.540 . 0 0 "[ . 1 ]" 2
26 1 5 A H61 1 13 U O4 1.820 . 2.720 1.591 1.405 2.281 . 0 0 "[ . 1 ]" 2
stop_
save_
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