NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
484818 |
2jsg   |
15362 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jsg
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 476
_Distance_constraint_stats_list.Viol_count 1391
_Distance_constraint_stats_list.Viol_total 4161.616
_Distance_constraint_stats_list.Viol_max 3.845
_Distance_constraint_stats_list.Viol_rms 0.3359
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0723
_Distance_constraint_stats_list.Viol_average_violations_only 0.2720
_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 C 90.596 3.845 10 11 [*********+*]
1 2 C 52.405 1.488 10 11 [*********+*]
1 3 U 11.954 0.407 4 0 "[ . 1 ]"
1 4 C 94.051 3.811 6 11 [***-*+*****]
1 5 C 43.719 1.602 7 11 [***-**+****]
1 6 C 0.006 0.002 7 0 "[ . 1 ]"
1 7 U 0.035 0.009 11 0 "[ . 1 ]"
1 8 U 0.056 0.007 2 0 "[ . 1 ]"
1 9 A 0.071 0.009 11 0 "[ . 1 ]"
1 10 C 0.047 0.009 11 0 "[ . 1 ]"
1 11 6MZ 25.689 1.527 9 10 [****.-**+**]
1 12 A 94.945 1.682 5 11 [***-+******]
1 13 G 156.598 3.811 6 11 [***-*+*****]
1 14 G 5.776 0.148 11 0 "[ . 1 ]"
1 15 A 7.244 0.148 11 0 "[ . 1 ]"
1 16 G 119.097 3.845 10 11 [*********+*]
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 C H1' 1 1 C H2' 2.805 2.705 2.905 2.787 2.786 2.791 . 0 0 "[ . 1 ]" 1
2 1 1 C H1' 1 1 C H3' 3.857 3.757 3.957 3.857 3.855 3.857 . 0 0 "[ . 1 ]" 1
3 1 1 C H1' 1 1 C H4' 3.398 3.298 3.498 3.430 3.406 3.434 . 0 0 "[ . 1 ]" 1
4 1 1 C H1' 1 1 C H5' 4.577 4.477 4.677 4.571 4.563 4.625 . 0 0 "[ . 1 ]" 1
5 1 1 C H1' 1 1 C HO2' 2.989 2.889 3.089 3.025 3.021 3.028 . 0 0 "[ . 1 ]" 1
6 1 1 C H1' 1 1 C H6 3.520 3.420 3.620 3.537 3.536 3.538 . 0 0 "[ . 1 ]" 1
7 1 1 C H1' 1 2 C H5' 4.676 4.576 4.776 4.778 4.776 4.780 0.004 8 0 "[ . 1 ]" 1
8 1 1 C H1' 1 2 C H6 4.297 4.197 4.397 4.462 4.460 4.464 0.067 11 0 "[ . 1 ]" 1
9 1 1 C H1' 1 2 C H5 4.979 4.879 5.079 5.075 5.067 5.081 0.002 10 0 "[ . 1 ]" 1
10 1 1 C H2' 1 1 C H3' 2.425 2.325 2.525 2.410 2.408 2.411 . 0 0 "[ . 1 ]" 1
11 1 1 C H2' 1 1 C H4' 3.813 3.713 3.913 3.816 3.807 3.819 . 0 0 "[ . 1 ]" 1
12 1 1 C H2' 1 1 C HO2' 2.192 2.092 2.292 2.124 2.123 2.125 . 0 0 "[ . 1 ]" 1
13 1 1 C H2' 1 1 C H6 3.999 3.899 4.099 3.920 3.911 3.922 . 0 0 "[ . 1 ]" 1
14 1 1 C H2' 1 2 C H1' 4.193 4.093 4.293 4.251 4.244 4.273 . 0 0 "[ . 1 ]" 1
15 1 1 C H2' 1 2 C H3' 4.263 4.163 4.363 4.322 4.318 4.329 . 0 0 "[ . 1 ]" 1
16 1 1 C H2' 1 2 C H4' 4.441 4.341 4.541 4.520 4.514 4.531 . 0 0 "[ . 1 ]" 1
17 1 1 C H2' 1 2 C H5' 2.890 2.790 2.990 2.948 2.942 2.961 . 0 0 "[ . 1 ]" 1
18 1 1 C H2' 1 2 C H5'' 4.268 4.168 4.368 4.364 4.362 4.366 . 0 0 "[ . 1 ]" 1
19 1 1 C H2' 1 2 C H6 1.583 . 1.683 1.749 1.747 1.751 0.068 11 0 "[ . 1 ]" 1
20 1 1 C H2' 1 2 C H5 3.089 2.989 3.189 3.143 3.132 3.154 . 0 0 "[ . 1 ]" 1
21 1 1 C H3' 1 1 C H4' 3.007 2.907 3.107 3.004 3.003 3.007 . 0 0 "[ . 1 ]" 1
22 1 1 C H3' 1 1 C H5' 3.687 3.587 3.787 3.670 3.664 3.719 . 0 0 "[ . 1 ]" 1
23 1 1 C H3' 1 1 C H5'' 3.085 2.985 3.185 3.077 2.982 3.091 0.003 10 0 "[ . 1 ]" 1
24 1 1 C H3' 1 1 C HO2' 3.993 3.893 4.093 3.879 3.878 3.881 0.015 9 0 "[ . 1 ]" 1
25 1 1 C H3' 1 1 C H6 2.988 2.888 3.088 2.874 2.873 2.877 0.015 5 0 "[ . 1 ]" 1
26 1 1 C H3' 1 1 C H5 4.769 4.669 4.869 4.640 4.639 4.648 0.030 6 0 "[ . 1 ]" 1
27 1 1 C H3' 1 2 C H5' 3.958 3.858 4.058 3.996 3.984 4.019 . 0 0 "[ . 1 ]" 1
28 1 1 C H3' 1 2 C H5'' 4.908 4.808 5.008 4.979 4.976 4.985 . 0 0 "[ . 1 ]" 1
29 1 1 C H3' 1 2 C H6 3.104 3.004 3.204 3.128 3.117 3.157 . 0 0 "[ . 1 ]" 1
30 1 1 C H3' 1 2 C H5 3.313 3.213 3.413 3.324 3.310 3.357 . 0 0 "[ . 1 ]" 1
31 1 1 C H4' 1 1 C H5' 2.534 2.434 2.634 2.527 2.462 2.536 . 0 0 "[ . 1 ]" 1
32 1 1 C H4' 1 1 C H5'' 2.370 2.270 2.470 2.333 2.326 2.383 . 0 0 "[ . 1 ]" 1
33 1 1 C H4' 1 1 C HO2' 3.778 3.678 3.878 3.739 3.726 3.743 . 0 0 "[ . 1 ]" 1
34 1 1 C H4' 1 1 C H6 4.053 3.953 4.153 3.988 3.984 4.006 . 0 0 "[ . 1 ]" 1
35 1 1 C H4' 1 2 C H5' 4.167 4.067 4.267 4.285 4.282 4.288 0.021 9 0 "[ . 1 ]" 1
36 1 1 C H5' 1 1 C H5'' 1.776 . 1.876 1.773 1.771 1.775 . 0 0 "[ . 1 ]" 1
37 1 1 C H5' 1 1 C H6 3.241 3.141 3.341 3.157 3.136 3.347 0.006 10 0 "[ . 1 ]" 1
38 1 1 C H5'' 1 1 C H6 4.055 3.955 4.155 3.944 3.935 3.949 0.020 10 0 "[ . 1 ]" 1
39 1 1 C HO2' 1 2 C H1' 4.151 4.051 4.251 4.262 4.259 4.265 0.014 4 0 "[ . 1 ]" 1
40 1 1 C HO2' 1 2 C H3' 4.845 4.745 4.945 4.863 4.848 4.873 . 0 0 "[ . 1 ]" 1
41 1 1 C HO2' 1 2 C H4' 3.522 3.422 3.622 3.634 3.633 3.636 0.014 7 0 "[ . 1 ]" 1
42 1 1 C HO2' 1 2 C H5' 1.994 . 2.094 1.978 1.972 1.982 . 0 0 "[ . 1 ]" 1
43 1 1 C HO2' 1 2 C H5'' 3.738 3.638 3.838 3.736 3.732 3.740 . 0 0 "[ . 1 ]" 1
44 1 1 C HO2' 1 2 C H6 3.221 3.121 3.321 3.270 3.258 3.280 . 0 0 "[ . 1 ]" 1
45 1 1 C H41 1 1 C H42 1.784 . 1.884 1.750 1.749 1.751 . 0 0 "[ . 1 ]" 1
46 1 1 C Q4 1 1 C H6 4.651 4.551 4.751 4.371 4.369 4.373 0.182 11 0 "[ . 1 ]" 1
47 1 1 C Q4 1 2 C H5 4.475 4.375 4.493 3.959 3.953 3.966 0.422 7 0 "[ . 1 ]" 1
48 1 1 C H5 1 1 C H6 2.457 2.357 2.557 2.441 2.439 2.441 . 0 0 "[ . 1 ]" 1
49 1 1 C H6 1 2 C H6 4.951 4.851 5.051 4.966 4.960 4.974 . 0 0 "[ . 1 ]" 1
50 1 1 C H6 1 2 C H5 4.001 3.901 4.101 4.017 4.010 4.026 . 0 0 "[ . 1 ]" 1
51 1 1 C H5 1 2 C Q4 4.046 3.946 4.146 3.852 3.849 3.855 0.097 4 0 "[ . 1 ]" 1
52 1 1 C H5 1 2 C H5 3.995 3.895 4.095 3.952 3.945 3.958 . 0 0 "[ . 1 ]" 1
53 1 2 C H1' 1 2 C H2' 2.805 2.705 2.905 2.791 2.790 2.793 . 0 0 "[ . 1 ]" 1
54 1 2 C H1' 1 2 C H3' 3.857 3.757 3.957 3.841 3.840 3.844 . 0 0 "[ . 1 ]" 1
55 1 2 C H1' 1 2 C H4' 3.398 3.298 3.498 3.374 3.371 3.377 . 0 0 "[ . 1 ]" 1
56 1 2 C H1' 1 2 C H5' 4.577 4.477 4.677 4.556 4.553 4.558 . 0 0 "[ . 1 ]" 1
57 1 2 C H1' 1 2 C HO2' 2.989 2.889 3.089 2.983 2.917 2.995 . 0 0 "[ . 1 ]" 1
58 1 2 C H1' 1 2 C H6 3.521 3.421 3.621 3.535 3.533 3.536 . 0 0 "[ . 1 ]" 1
59 1 2 C H1' 1 3 U H5' 4.677 4.577 4.777 4.774 4.770 4.778 0.001 8 0 "[ . 1 ]" 1
60 1 2 C H1' 1 3 U H6 4.282 4.182 4.382 4.423 4.420 4.430 0.048 4 0 "[ . 1 ]" 1
61 1 2 C H1' 1 3 U H5 4.941 4.841 5.041 5.107 5.099 5.113 0.072 11 0 "[ . 1 ]" 1
62 1 2 C H2' 1 2 C H3' 2.425 2.325 2.525 2.413 2.410 2.414 . 0 0 "[ . 1 ]" 1
63 1 2 C H2' 1 2 C H4' 3.813 3.713 3.913 3.789 3.787 3.792 . 0 0 "[ . 1 ]" 1
64 1 2 C H2' 1 2 C HO2' 2.193 2.093 2.293 2.125 2.123 2.131 . 0 0 "[ . 1 ]" 1
65 1 2 C H2' 1 2 C H6 4.000 3.900 4.100 3.913 3.910 3.915 . 0 0 "[ . 1 ]" 1
66 1 2 C H2' 1 3 U H1' 4.192 4.092 4.292 4.174 4.150 4.221 . 0 0 "[ . 1 ]" 1
67 1 2 C H2' 1 3 U H3' 4.263 4.163 4.363 4.352 4.337 4.356 . 0 0 "[ . 1 ]" 1
68 1 2 C H2' 1 3 U H4' 4.441 4.341 4.541 4.451 4.437 4.479 . 0 0 "[ . 1 ]" 1
69 1 2 C H2' 1 3 U H5' 2.891 2.791 2.991 3.004 2.998 3.009 0.018 11 0 "[ . 1 ]" 1
70 1 2 C H2' 1 3 U H5'' 4.268 4.168 4.368 4.341 4.338 4.343 . 0 0 "[ . 1 ]" 1
71 1 2 C H2' 1 3 U H6 1.566 . 1.666 1.720 1.716 1.727 0.061 4 0 "[ . 1 ]" 1
72 1 2 C H2' 1 3 U H5 3.030 2.930 3.130 3.119 3.112 3.123 . 0 0 "[ . 1 ]" 1
73 1 2 C H3' 1 2 C H4' 3.007 2.907 3.107 3.012 3.011 3.014 . 0 0 "[ . 1 ]" 1
74 1 2 C H3' 1 2 C H5' 3.686 3.586 3.786 3.686 3.685 3.691 . 0 0 "[ . 1 ]" 1
75 1 2 C H3' 1 2 C H5'' 3.085 2.985 3.185 3.132 3.126 3.136 . 0 0 "[ . 1 ]" 1
76 1 2 C H3' 1 2 C HO2' 3.993 3.893 4.093 3.899 3.893 3.928 0.000 11 0 "[ . 1 ]" 1
77 1 2 C H3' 1 2 C H6 2.989 2.889 3.089 2.861 2.858 2.869 0.031 10 0 "[ . 1 ]" 1
78 1 2 C H3' 1 2 C H5 4.769 4.669 4.869 4.642 4.639 4.648 0.030 10 0 "[ . 1 ]" 1
79 1 2 C H3' 1 3 U H5' 3.958 3.858 4.058 4.070 4.067 4.073 0.015 4 0 "[ . 1 ]" 1
80 1 2 C H3' 1 3 U H5'' 4.907 4.807 5.007 5.031 5.023 5.035 0.028 11 0 "[ . 1 ]" 1
81 1 2 C H3' 1 3 U H6 3.100 3.000 3.200 3.198 3.191 3.207 0.007 4 0 "[ . 1 ]" 1
82 1 2 C H3' 1 3 U H5 3.248 3.148 3.348 3.355 3.352 3.360 0.012 4 0 "[ . 1 ]" 1
83 1 2 C H4' 1 2 C H5' 2.534 2.434 2.634 2.532 2.529 2.534 . 0 0 "[ . 1 ]" 1
84 1 2 C H4' 1 2 C H5'' 2.370 2.270 2.470 2.330 2.327 2.334 . 0 0 "[ . 1 ]" 1
85 1 2 C H4' 1 2 C HO2' 3.778 3.678 3.878 3.694 3.686 3.716 . 0 0 "[ . 1 ]" 1
86 1 2 C H4' 1 2 C H6 4.053 3.953 4.153 4.028 4.025 4.032 . 0 0 "[ . 1 ]" 1
87 1 2 C H4' 1 3 U H5' 4.167 4.067 4.267 4.238 4.228 4.258 . 0 0 "[ . 1 ]" 1
88 1 2 C H5' 1 2 C H5'' 1.776 . 1.876 1.775 1.773 1.777 . 0 0 "[ . 1 ]" 1
89 1 2 C H5' 1 2 C H6 3.241 3.141 3.341 3.254 3.246 3.270 . 0 0 "[ . 1 ]" 1
90 1 2 C H5'' 1 2 C H6 4.056 3.956 4.156 4.054 4.045 4.062 . 0 0 "[ . 1 ]" 1
91 1 2 C HO2' 1 3 U H1' 4.151 4.051 4.251 4.108 4.084 4.148 . 0 0 "[ . 1 ]" 1
92 1 2 C HO2' 1 3 U H3' 4.845 4.745 4.945 4.818 4.802 4.884 . 0 0 "[ . 1 ]" 1
93 1 2 C HO2' 1 3 U H4' 3.521 3.421 3.621 3.476 3.445 3.580 . 0 0 "[ . 1 ]" 1
94 1 2 C HO2' 1 3 U H5' 1.994 . 2.094 2.009 1.991 2.093 . 0 0 "[ . 1 ]" 1
95 1 2 C HO2' 1 3 U H5'' 3.738 3.638 3.838 3.744 3.728 3.833 . 0 0 "[ . 1 ]" 1
96 1 2 C HO2' 1 3 U H6 3.200 3.100 3.300 3.232 3.224 3.261 . 0 0 "[ . 1 ]" 1
97 1 2 C H41 1 2 C H42 1.784 . 1.884 1.757 1.756 1.758 . 0 0 "[ . 1 ]" 1
98 1 2 C Q4 1 2 C H6 4.650 4.550 4.750 4.360 4.358 4.361 0.192 3 0 "[ . 1 ]" 1
99 1 2 C Q4 1 3 U H5 4.531 4.431 4.554 4.040 4.024 4.051 0.407 4 0 "[ . 1 ]" 1
100 1 2 C Q4 1 3 U H3 4.568 4.468 4.668 4.518 4.515 4.521 . 0 0 "[ . 1 ]" 1
101 1 2 C H5 1 2 C H6 2.456 2.356 2.556 2.438 2.437 2.439 . 0 0 "[ . 1 ]" 1
102 1 2 C H6 1 3 U H6 4.950 4.850 5.050 4.978 4.973 4.985 . 0 0 "[ . 1 ]" 1
103 1 2 C H6 1 3 U H5 3.980 3.880 4.080 4.086 4.081 4.089 0.009 11 0 "[ . 1 ]" 1
104 1 2 C H5 1 3 U H5 4.017 3.917 4.117 4.049 4.038 4.056 . 0 0 "[ . 1 ]" 1
105 1 3 U H1' 1 3 U H2' 2.805 2.705 2.905 2.789 2.788 2.790 . 0 0 "[ . 1 ]" 1
106 1 3 U H1' 1 3 U H3' 3.857 3.757 3.957 3.845 3.840 3.848 . 0 0 "[ . 1 ]" 1
107 1 3 U H1' 1 3 U H4' 3.397 3.297 3.497 3.373 3.372 3.374 . 0 0 "[ . 1 ]" 1
108 1 3 U H1' 1 3 U H5' 4.576 4.476 4.676 4.587 4.584 4.589 . 0 0 "[ . 1 ]" 1
109 1 3 U H1' 1 3 U HO2' 2.990 2.890 3.090 2.854 2.850 2.861 0.040 2 0 "[ . 1 ]" 1
110 1 3 U H1' 1 3 U H3 4.622 4.522 4.722 4.605 4.603 4.606 . 0 0 "[ . 1 ]" 1
111 1 3 U H1' 1 3 U H6 3.514 3.414 3.614 3.505 3.500 3.511 . 0 0 "[ . 1 ]" 1
112 1 3 U H1' 1 4 C H5' 4.677 4.577 4.777 4.566 4.563 4.575 0.014 5 0 "[ . 1 ]" 1
113 1 3 U H1' 1 4 C H6 4.320 4.220 4.420 4.491 4.486 4.493 0.073 10 0 "[ . 1 ]" 1
114 1 3 U H2' 1 3 U H3' 2.425 2.325 2.525 2.408 2.407 2.409 . 0 0 "[ . 1 ]" 1
115 1 3 U H2' 1 3 U H4' 3.813 3.713 3.913 3.789 3.785 3.791 . 0 0 "[ . 1 ]" 1
116 1 3 U H2' 1 3 U HO2' 2.193 2.093 2.293 2.124 2.120 2.125 . 0 0 "[ . 1 ]" 1
117 1 3 U H2' 1 3 U H3 4.540 4.440 4.640 4.463 4.459 4.469 . 0 0 "[ . 1 ]" 1
118 1 3 U H2' 1 3 U H6 4.005 3.905 4.105 3.949 3.943 3.951 . 0 0 "[ . 1 ]" 1
119 1 3 U H2' 1 4 C H1' 4.192 4.092 4.292 4.130 4.126 4.135 . 0 0 "[ . 1 ]" 1
120 1 3 U H2' 1 4 C H3' 4.263 4.163 4.363 4.320 4.316 4.324 . 0 0 "[ . 1 ]" 1
121 1 3 U H2' 1 4 C H4' 4.442 4.342 4.542 4.314 4.311 4.317 0.031 11 0 "[ . 1 ]" 1
122 1 3 U H2' 1 4 C H5' 2.891 2.791 2.991 2.885 2.880 2.888 . 0 0 "[ . 1 ]" 1
123 1 3 U H2' 1 4 C H5'' 4.268 4.168 4.368 4.186 4.181 4.189 . 0 0 "[ . 1 ]" 1
124 1 3 U H2' 1 4 C H6 1.673 . 1.773 1.784 1.780 1.785 0.012 10 0 "[ . 1 ]" 1
125 1 3 U H3' 1 3 U H4' 3.007 2.907 3.107 3.013 3.012 3.015 . 0 0 "[ . 1 ]" 1
126 1 3 U H3' 1 3 U H5' 3.686 3.586 3.786 3.728 3.722 3.731 . 0 0 "[ . 1 ]" 1
127 1 3 U H3' 1 3 U H5'' 3.085 2.985 3.185 3.064 3.059 3.079 . 0 0 "[ . 1 ]" 1
128 1 3 U H3' 1 3 U HO2' 3.993 3.893 4.093 3.940 3.937 3.942 . 0 0 "[ . 1 ]" 1
129 1 3 U H3' 1 3 U H6 2.992 2.892 3.092 2.941 2.915 2.948 . 0 0 "[ . 1 ]" 1
130 1 3 U H3' 1 3 U H5 4.723 4.623 4.823 4.697 4.663 4.707 . 0 0 "[ . 1 ]" 1
131 1 3 U H3' 1 4 C H5' 3.958 3.858 4.058 4.086 4.076 4.090 0.032 11 0 "[ . 1 ]" 1
132 1 3 U H3' 1 4 C H5'' 4.908 4.808 5.008 5.012 5.010 5.014 0.006 11 0 "[ . 1 ]" 1
133 1 3 U H3' 1 4 C H6 3.024 2.924 3.124 3.176 3.171 3.180 0.056 10 0 "[ . 1 ]" 1
134 1 3 U H4' 1 3 U H5' 2.533 2.433 2.633 2.485 2.480 2.494 . 0 0 "[ . 1 ]" 1
135 1 3 U H4' 1 3 U H5'' 2.370 2.270 2.470 2.367 2.360 2.369 . 0 0 "[ . 1 ]" 1
136 1 3 U H4' 1 3 U HO2' 3.778 3.678 3.878 3.722 3.711 3.726 . 0 0 "[ . 1 ]" 1
137 1 3 U H4' 1 3 U H6 4.039 3.939 4.139 4.025 4.023 4.027 . 0 0 "[ . 1 ]" 1
138 1 3 U H4' 1 4 C H5' 4.167 4.067 4.267 4.202 4.184 4.213 . 0 0 "[ . 1 ]" 1
139 1 3 U H5' 1 3 U H5'' 1.776 . 1.876 1.774 1.773 1.775 . 0 0 "[ . 1 ]" 1
140 1 3 U H5' 1 3 U H6 3.223 3.123 3.323 3.334 3.327 3.337 0.014 7 0 "[ . 1 ]" 1
141 1 3 U H5'' 1 3 U H6 4.044 3.944 4.144 4.037 4.033 4.044 . 0 0 "[ . 1 ]" 1
142 1 3 U HO2' 1 4 C H1' 4.151 4.051 4.251 4.172 4.164 4.185 . 0 0 "[ . 1 ]" 1
143 1 3 U HO2' 1 4 C H3' 4.845 4.745 4.945 4.807 4.805 4.809 . 0 0 "[ . 1 ]" 1
144 1 3 U HO2' 1 4 C H4' 3.521 3.421 3.621 3.356 3.351 3.363 0.070 10 0 "[ . 1 ]" 1
145 1 3 U HO2' 1 4 C H5' 1.995 . 2.095 1.914 1.905 1.922 . 0 0 "[ . 1 ]" 1
146 1 3 U HO2' 1 4 C H5'' 3.738 3.638 3.838 3.649 3.642 3.657 . 0 0 "[ . 1 ]" 1
147 1 3 U HO2' 1 4 C H6 3.220 3.120 3.320 3.357 3.355 3.358 0.038 11 0 "[ . 1 ]" 1
148 1 3 U H3 1 3 U H6 4.817 4.717 4.917 4.772 4.771 4.773 . 0 0 "[ . 1 ]" 1
149 1 3 U H3 1 3 U H5 4.231 4.131 4.331 4.205 4.204 4.206 . 0 0 "[ . 1 ]" 1
150 1 3 U H3 1 4 C H6 4.402 4.302 4.502 4.623 4.619 4.626 0.124 3 0 "[ . 1 ]" 1
151 1 3 U H5 1 3 U H6 2.416 2.316 2.516 2.402 2.400 2.403 . 0 0 "[ . 1 ]" 1
152 1 3 U H6 1 4 C H6 4.950 4.850 5.050 5.038 5.025 5.047 . 0 0 "[ . 1 ]" 1
153 1 4 C H1' 1 4 C H2' 2.805 2.705 2.905 2.791 2.790 2.793 . 0 0 "[ . 1 ]" 1
154 1 4 C H1' 1 4 C H3' 3.857 3.757 3.957 3.859 3.856 3.861 . 0 0 "[ . 1 ]" 1
155 1 4 C H1' 1 4 C H4' 3.398 3.298 3.498 3.412 3.410 3.414 . 0 0 "[ . 1 ]" 1
156 1 4 C H1' 1 4 C H5' 4.577 4.477 4.677 4.627 4.623 4.629 . 0 0 "[ . 1 ]" 1
157 1 4 C H1' 1 4 C HO2' 2.989 2.889 3.089 2.911 2.903 2.948 . 0 0 "[ . 1 ]" 1
158 1 4 C H1' 1 4 C H6 3.520 3.420 3.620 3.529 3.527 3.532 . 0 0 "[ . 1 ]" 1
159 1 4 C H1' 1 5 C H5' 4.676 4.576 4.776 4.634 4.587 4.679 . 0 0 "[ . 1 ]" 1
160 1 4 C H1' 1 5 C H6 4.297 4.197 4.397 4.463 4.461 4.465 0.068 6 0 "[ . 1 ]" 1
161 1 4 C H1' 1 5 C H5 4.979 4.879 5.079 5.099 5.097 5.103 0.024 4 0 "[ . 1 ]" 1
162 1 4 C H2' 1 4 C H3' 2.425 2.325 2.525 2.411 2.410 2.412 . 0 0 "[ . 1 ]" 1
163 1 4 C H2' 1 4 C H4' 3.813 3.713 3.913 3.810 3.808 3.812 . 0 0 "[ . 1 ]" 1
164 1 4 C H2' 1 4 C HO2' 2.192 2.092 2.292 2.128 2.125 2.130 . 0 0 "[ . 1 ]" 1
165 1 4 C H2' 1 4 C H6 3.999 3.899 4.099 3.941 3.937 3.943 . 0 0 "[ . 1 ]" 1
166 1 4 C H2' 1 5 C H1' 4.193 4.093 4.293 4.317 4.313 4.323 0.030 3 0 "[ . 1 ]" 1
167 1 4 C H2' 1 5 C H3' 4.263 4.163 4.363 4.289 4.265 4.312 . 0 0 "[ . 1 ]" 1
168 1 4 C H2' 1 5 C H4' 4.441 4.341 4.541 4.500 4.488 4.512 . 0 0 "[ . 1 ]" 1
169 1 4 C H2' 1 5 C H5' 2.890 2.790 2.990 2.887 2.840 2.929 . 0 0 "[ . 1 ]" 1
170 1 4 C H2' 1 5 C H5'' 4.268 4.168 4.368 4.277 4.254 4.297 . 0 0 "[ . 1 ]" 1
171 1 4 C H2' 1 5 C H6 1.583 . 1.683 1.759 1.757 1.761 0.078 4 0 "[ . 1 ]" 1
172 1 4 C H2' 1 5 C H5 3.089 2.989 3.189 3.134 3.130 3.143 . 0 0 "[ . 1 ]" 1
173 1 4 C H3' 1 4 C H4' 3.007 2.907 3.107 3.006 3.004 3.007 . 0 0 "[ . 1 ]" 1
174 1 4 C H3' 1 4 C H5' 3.687 3.587 3.787 3.723 3.721 3.725 . 0 0 "[ . 1 ]" 1
175 1 4 C H3' 1 4 C H5'' 3.085 2.985 3.185 2.975 2.972 2.979 0.013 11 0 "[ . 1 ]" 1
176 1 4 C H3' 1 4 C HO2' 3.993 3.893 4.093 3.927 3.911 3.931 . 0 0 "[ . 1 ]" 1
177 1 4 C H3' 1 4 C H6 2.988 2.888 3.088 2.926 2.923 2.929 . 0 0 "[ . 1 ]" 1
178 1 4 C H3' 1 4 C H5 4.769 4.669 4.869 4.636 4.634 4.638 0.035 4 0 "[ . 1 ]" 1
179 1 4 C H3' 1 5 C H5' 3.958 3.858 4.058 4.022 3.979 4.057 . 0 0 "[ . 1 ]" 1
180 1 4 C H3' 1 5 C H5'' 4.908 4.808 5.008 4.971 4.951 4.987 . 0 0 "[ . 1 ]" 1
181 1 4 C H3' 1 5 C H6 3.104 3.004 3.204 3.218 3.213 3.221 0.017 9 0 "[ . 1 ]" 1
182 1 4 C H3' 1 5 C H5 3.313 3.213 3.413 3.403 3.397 3.414 0.001 4 0 "[ . 1 ]" 1
183 1 4 C H4' 1 4 C H5' 2.534 2.434 2.634 2.466 2.464 2.468 . 0 0 "[ . 1 ]" 1
184 1 4 C H4' 1 4 C H5'' 2.370 2.270 2.470 2.395 2.390 2.396 . 0 0 "[ . 1 ]" 1
185 1 4 C H4' 1 4 C HO2' 3.778 3.678 3.878 3.750 3.740 3.756 . 0 0 "[ . 1 ]" 1
186 1 4 C H4' 1 4 C H6 4.053 3.953 4.153 4.022 4.020 4.027 . 0 0 "[ . 1 ]" 1
187 1 4 C H4' 1 5 C H5' 4.167 4.067 4.267 4.225 4.186 4.259 . 0 0 "[ . 1 ]" 1
188 1 4 C H5' 1 4 C H5'' 1.776 . 1.876 1.774 1.773 1.775 . 0 0 "[ . 1 ]" 1
189 1 4 C H5' 1 4 C H6 3.241 3.141 3.341 3.350 3.347 3.352 0.011 10 0 "[ . 1 ]" 1
190 1 4 C H5'' 1 4 C H6 4.055 3.955 4.155 3.948 3.945 3.955 0.010 3 0 "[ . 1 ]" 1
191 1 4 C HO2' 1 5 C H1' 4.151 4.051 4.251 4.256 4.254 4.259 0.008 9 0 "[ . 1 ]" 1
192 1 4 C HO2' 1 5 C H3' 4.845 4.745 4.945 4.840 4.823 4.859 . 0 0 "[ . 1 ]" 1
193 1 4 C HO2' 1 5 C H4' 3.522 3.422 3.622 3.608 3.597 3.621 . 0 0 "[ . 1 ]" 1
194 1 4 C HO2' 1 5 C H5' 1.994 . 2.094 1.948 1.915 1.985 . 0 0 "[ . 1 ]" 1
195 1 4 C HO2' 1 5 C H5'' 3.738 3.638 3.838 3.705 3.674 3.741 . 0 0 "[ . 1 ]" 1
196 1 4 C HO2' 1 5 C H6 3.221 3.121 3.321 3.280 3.272 3.284 . 0 0 "[ . 1 ]" 1
197 1 4 C H41 1 4 C H42 1.784 . 1.884 1.749 1.747 1.750 . 0 0 "[ . 1 ]" 1
198 1 4 C Q4 1 4 C H6 4.651 4.551 4.751 4.365 4.363 4.366 0.188 3 0 "[ . 1 ]" 1
199 1 4 C Q4 1 5 C H5 4.475 4.375 4.493 3.886 3.875 3.892 0.500 4 1 "[ +. 1 ]" 1
200 1 4 C H5 1 4 C H6 2.457 2.357 2.557 2.438 2.436 2.439 . 0 0 "[ . 1 ]" 1
201 1 4 C H6 1 5 C H6 4.951 4.851 5.051 5.056 5.052 5.058 0.007 11 0 "[ . 1 ]" 1
202 1 4 C H6 1 5 C H5 4.001 3.901 4.101 4.134 4.129 4.137 0.036 11 0 "[ . 1 ]" 1
203 1 4 C H5 1 5 C Q4 4.046 3.946 4.146 3.963 3.958 3.967 . 0 0 "[ . 1 ]" 1
204 1 4 C H5 1 5 C H5 3.995 3.895 4.095 3.999 3.991 4.003 . 0 0 "[ . 1 ]" 1
205 1 12 A H1' 1 12 A H2' 2.805 2.705 2.905 2.775 2.771 2.785 . 0 0 "[ . 1 ]" 1
206 1 12 A H1' 1 12 A H3' 3.857 3.757 3.957 3.863 3.849 3.870 . 0 0 "[ . 1 ]" 1
207 1 12 A H1' 1 12 A H4' 3.398 3.298 3.498 3.529 3.489 3.556 0.058 2 0 "[ . 1 ]" 1
208 1 12 A H1' 1 12 A Q5' 4.577 4.477 4.677 4.243 4.085 4.482 0.392 4 0 "[ . 1 ]" 1
209 1 12 A H1' 1 12 A HO2' 2.565 2.465 2.665 2.623 1.988 3.249 0.584 7 1 "[ . + 1 ]" 1
210 1 12 A H1' 1 12 A H8 3.727 3.627 3.827 3.589 3.493 3.712 0.134 5 0 "[ . 1 ]" 1
211 1 12 A H1' 1 13 G H5' 4.677 4.577 4.777 4.751 4.407 5.113 0.336 7 0 "[ . 1 ]" 1
212 1 12 A H1' 1 13 G H8 4.319 4.219 4.419 4.830 4.642 4.931 0.512 4 1 "[ +. 1 ]" 1
213 1 12 A H2' 1 12 A H3' 2.425 2.325 2.525 2.410 2.407 2.416 . 0 0 "[ . 1 ]" 1
214 1 12 A H2' 1 12 A H4' 3.813 3.713 3.913 3.853 3.831 3.865 . 0 0 "[ . 1 ]" 1
215 1 12 A H2' 1 12 A HO2' 2.947 2.847 3.047 2.425 2.128 2.861 0.719 6 6 "[ **+ **-]" 1
216 1 12 A H2' 1 12 A H8 4.149 4.049 4.249 4.296 4.051 4.442 0.193 5 0 "[ . 1 ]" 1
217 1 12 A H2' 1 13 G H1' 4.192 4.092 4.292 3.840 3.354 4.164 0.738 9 2 "[ -. +1 ]" 1
218 1 12 A H2' 1 13 G H3' 4.263 4.163 4.363 4.420 4.068 4.604 0.241 2 0 "[ . 1 ]" 1
219 1 12 A H2' 1 13 G H4' 4.442 4.342 4.542 4.009 3.457 4.311 0.885 9 2 "[ -. +1 ]" 1
220 1 12 A H2' 1 13 G H5' 2.891 2.791 2.991 2.705 2.391 3.069 0.400 8 0 "[ . 1 ]" 1
221 1 12 A H2' 1 13 G H5'' 4.268 4.168 4.368 4.169 3.864 4.491 0.304 9 0 "[ . 1 ]" 1
222 1 12 A H2' 1 13 G H8 1.673 . 1.773 2.291 2.194 2.321 0.548 2 10 "[*+ *****-**]" 1
223 1 12 A H3' 1 12 A H4' 3.008 2.908 3.108 2.996 2.992 3.003 . 0 0 "[ . 1 ]" 1
224 1 12 A H3' 1 12 A HO2' 3.597 3.497 3.697 3.849 3.345 4.082 0.385 1 0 "[ . 1 ]" 1
225 1 12 A H3' 1 12 A H8 3.196 3.096 3.296 3.414 3.032 3.696 0.400 5 0 "[ . 1 ]" 1
226 1 12 A H3' 1 13 G H5' 3.959 3.859 4.059 3.802 3.668 3.943 0.191 1 0 "[ . 1 ]" 1
227 1 12 A H3' 1 13 G H5'' 4.908 4.808 5.008 4.848 4.652 4.975 0.156 8 0 "[ . 1 ]" 1
228 1 12 A H3' 1 13 G H8 3.023 2.923 3.123 2.635 2.335 2.860 0.588 8 2 "[ . +-1 ]" 1
229 1 12 A H4' 1 12 A Q5' . 2.434 2.470 2.349 2.131 2.524 0.303 5 0 "[ . 1 ]" 1
230 1 12 A H4' 1 12 A HO2' 2.044 . 2.144 3.276 2.236 3.826 1.682 5 8 "[* -*+* ***]" 1
231 1 12 A H4' 1 12 A H8 4.409 4.309 4.509 4.296 4.223 4.389 0.086 9 0 "[ . 1 ]" 1
232 1 12 A H4' 1 13 G H5' 4.167 4.067 4.267 4.418 4.008 4.704 0.437 8 0 "[ . 1 ]" 1
233 1 12 A H5' 1 12 A H5'' 1.776 . 1.876 1.774 1.773 1.775 . 0 0 "[ . 1 ]" 1
234 1 12 A Q5' 1 12 A HO2' 4.410 4.310 4.410 4.740 3.967 5.153 0.743 5 7 "[- *+* ***]" 1
235 1 12 A HO2' 1 13 G H5' 2.941 2.841 3.041 2.717 2.095 3.505 0.746 9 3 "[ -.* +1 ]" 1
236 1 12 A HO2' 1 13 G H5'' 4.602 4.502 4.702 4.410 3.759 5.081 0.743 9 3 "[ *.- +1 ]" 1
237 1 12 A HO2' 1 13 G H8 4.547 4.447 4.647 4.516 4.117 4.936 0.330 6 0 "[ . 1 ]" 1
238 1 12 A H8 1 13 G H8 4.797 4.697 4.897 4.913 4.254 5.297 0.443 8 0 "[ . 1 ]" 1
239 1 13 G H1' 1 13 G H2' 2.805 2.705 2.905 2.794 2.790 2.797 . 0 0 "[ . 1 ]" 1
240 1 13 G H1' 1 13 G H3' 3.857 3.757 3.957 3.844 3.841 3.846 . 0 0 "[ . 1 ]" 1
241 1 13 G H1' 1 13 G H4' 3.397 3.297 3.497 3.392 3.384 3.406 . 0 0 "[ . 1 ]" 1
242 1 13 G H1' 1 13 G H5' 4.577 4.477 4.677 4.620 4.599 4.643 . 0 0 "[ . 1 ]" 1
243 1 13 G H1' 1 13 G HO2' 2.565 2.465 2.665 2.580 2.503 2.644 . 0 0 "[ . 1 ]" 1
244 1 13 G H1' 1 13 G Q2 4.775 4.675 4.875 4.590 4.577 4.603 0.098 7 0 "[ . 1 ]" 1
245 1 13 G H1' 1 13 G H8 3.727 3.627 3.827 3.681 3.676 3.686 . 0 0 "[ . 1 ]" 1
246 1 13 G H2' 1 13 G H3' 2.425 2.325 2.525 2.417 2.416 2.418 . 0 0 "[ . 1 ]" 1
247 1 13 G H2' 1 13 G H4' 3.813 3.713 3.913 3.794 3.791 3.799 . 0 0 "[ . 1 ]" 1
248 1 13 G H2' 1 13 G HO2' 2.947 2.847 3.047 2.857 2.852 2.860 . 0 0 "[ . 1 ]" 1
249 1 13 G H2' 1 13 G Q2 4.701 4.601 4.801 4.517 4.503 4.531 0.098 4 0 "[ . 1 ]" 1
250 1 13 G H2' 1 13 G H8 4.150 4.050 4.250 4.082 4.071 4.094 . 0 0 "[ . 1 ]" 1
251 1 13 G H3' 1 13 G H4' 3.007 2.907 3.107 3.011 3.010 3.013 . 0 0 "[ . 1 ]" 1
252 1 13 G H3' 1 13 G H5' 3.687 3.587 3.787 3.718 3.701 3.732 . 0 0 "[ . 1 ]" 1
253 1 13 G H3' 1 13 G H5'' 3.085 2.985 3.185 3.004 2.968 3.047 0.017 9 0 "[ . 1 ]" 1
254 1 13 G H3' 1 13 G HO2' 3.596 3.496 3.696 3.540 3.512 3.573 . 0 0 "[ . 1 ]" 1
255 1 13 G H3' 1 13 G H8 3.196 3.096 3.296 3.080 3.073 3.095 0.023 3 0 "[ . 1 ]" 1
256 1 13 G H4' 1 13 G H5' 2.534 2.434 2.634 2.470 2.448 2.496 . 0 0 "[ . 1 ]" 1
257 1 13 G H4' 1 13 G H5'' 2.370 2.270 2.470 2.386 2.362 2.406 . 0 0 "[ . 1 ]" 1
258 1 13 G H4' 1 13 G HO2' 2.043 . 2.143 2.054 2.025 2.086 . 0 0 "[ . 1 ]" 1
259 1 13 G H4' 1 13 G H8 4.410 4.310 4.510 4.310 4.301 4.318 0.009 6 0 "[ . 1 ]" 1
260 1 13 G H5' 1 13 G H5'' 1.776 . 1.876 1.775 1.773 1.776 . 0 0 "[ . 1 ]" 1
261 1 13 G H5' 1 13 G HO2' 4.409 4.309 4.509 4.393 4.370 4.406 . 0 0 "[ . 1 ]" 1
262 1 13 G H5' 1 13 G H8 3.564 3.464 3.664 3.618 3.538 3.670 0.006 7 0 "[ . 1 ]" 1
263 1 13 G H5'' 1 13 G HO2' 4.309 4.209 4.409 4.287 4.251 4.328 . 0 0 "[ . 1 ]" 1
264 1 13 G H5'' 1 13 G H8 4.368 4.268 4.468 4.240 4.224 4.259 0.044 9 0 "[ . 1 ]" 1
265 1 13 G H21 1 13 G H22 1.784 . 1.884 1.756 1.754 1.758 . 0 0 "[ . 1 ]" 1
266 1 5 C H1' 1 13 G Q2 . 4.393 4.473 4.310 4.305 4.317 0.088 7 0 "[ . 1 ]" 1
267 1 4 C H1' 1 13 G Q2 4.317 4.217 4.417 8.222 8.216 8.228 3.811 6 11 [*****+-****] 1
268 1 4 C H2' 1 13 G Q2 4.667 4.567 4.767 7.006 6.992 7.018 2.251 6 11 [*****+-****] 1
269 1 4 C Q4 1 13 G Q2 4.566 4.466 4.666 5.768 5.761 5.776 1.110 6 11 [*****+*-***] 1
270 1 5 C H6 1 13 G Q2 4.961 4.861 5.061 6.034 6.020 6.049 0.988 6 11 [*****+-****] 1
271 1 5 C Q4 1 13 G H1 . 3.985 3.988 2.402 2.383 2.424 1.602 7 11 [***-**+****] 1
272 1 5 C H5 1 13 G H1 4.398 4.298 4.498 5.101 5.092 5.116 0.618 4 11 [***+**-****] 1
273 1 13 G H1' 1 14 G H5' 4.677 4.577 4.777 4.721 4.699 4.734 . 0 0 "[ . 1 ]" 1
274 1 13 G H1' 1 14 G H8 4.319 4.219 4.419 4.454 4.438 4.459 0.040 4 0 "[ . 1 ]" 1
275 1 13 G H2' 1 14 G H1' 4.192 4.092 4.292 4.203 4.195 4.212 . 0 0 "[ . 1 ]" 1
276 1 13 G H2' 1 14 G H3' 4.263 4.163 4.363 4.315 4.284 4.333 . 0 0 "[ . 1 ]" 1
277 1 13 G H2' 1 14 G H4' 4.442 4.342 4.542 4.402 4.380 4.414 . 0 0 "[ . 1 ]" 1
278 1 13 G H2' 1 14 G H5' 2.891 2.791 2.991 2.841 2.805 2.876 . 0 0 "[ . 1 ]" 1
279 1 13 G H2' 1 14 G H5'' 4.268 4.168 4.368 4.263 4.240 4.273 . 0 0 "[ . 1 ]" 1
280 1 13 G H2' 1 14 G H8 1.673 . 1.773 1.820 1.816 1.827 0.054 4 0 "[ . 1 ]" 1
281 1 13 G H3' 1 14 G H5' 3.959 3.859 4.059 3.968 3.941 4.001 . 0 0 "[ . 1 ]" 1
282 1 13 G H3' 1 14 G H5'' 4.908 4.808 5.008 4.948 4.930 4.967 . 0 0 "[ . 1 ]" 1
283 1 13 G H3' 1 14 G H8 3.023 2.923 3.123 3.016 2.986 3.052 . 0 0 "[ . 1 ]" 1
284 1 13 G H4' 1 14 G H5' 4.167 4.067 4.267 4.276 4.270 4.280 0.013 2 0 "[ . 1 ]" 1
285 1 13 G HO2' 1 14 G H5' 2.941 2.841 3.041 2.974 2.920 3.036 . 0 0 "[ . 1 ]" 1
286 1 13 G HO2' 1 14 G H5'' 4.602 4.502 4.702 4.620 4.557 4.692 . 0 0 "[ . 1 ]" 1
287 1 13 G HO2' 1 14 G H8 4.547 4.447 4.647 4.583 4.557 4.604 . 0 0 "[ . 1 ]" 1
288 1 14 G H1' 1 14 G H2' 2.805 2.705 2.905 2.793 2.790 2.795 . 0 0 "[ . 1 ]" 1
289 1 14 G H1' 1 14 G H3' 3.857 3.757 3.957 3.845 3.842 3.847 . 0 0 "[ . 1 ]" 1
290 1 14 G H1' 1 14 G H4' 3.397 3.297 3.497 3.375 3.365 3.386 . 0 0 "[ . 1 ]" 1
291 1 14 G H1' 1 14 G H5' 4.577 4.477 4.677 4.568 4.557 4.576 . 0 0 "[ . 1 ]" 1
292 1 14 G H1' 1 14 G HO2' 2.564 2.464 2.664 2.448 2.445 2.453 0.019 7 0 "[ . 1 ]" 1
293 1 14 G H1' 1 14 G H8 3.700 3.600 3.800 3.683 3.680 3.686 . 0 0 "[ . 1 ]" 1
294 1 14 G H1' 1 15 A H5' 4.677 4.577 4.777 4.630 4.624 4.639 . 0 0 "[ . 1 ]" 1
295 1 14 G H1' 1 15 A H8 4.320 4.220 4.420 4.522 4.520 4.527 0.107 4 0 "[ . 1 ]" 1
296 1 14 G H2' 1 14 G H3' 2.425 2.325 2.525 2.411 2.410 2.412 . 0 0 "[ . 1 ]" 1
297 1 14 G H2' 1 14 G H4' 3.813 3.713 3.913 3.791 3.787 3.797 . 0 0 "[ . 1 ]" 1
298 1 14 G H2' 1 14 G HO2' 2.946 2.846 3.046 2.861 2.860 2.862 . 0 0 "[ . 1 ]" 1
299 1 14 G H2' 1 14 G H8 4.125 4.025 4.225 4.071 4.063 4.076 . 0 0 "[ . 1 ]" 1
300 1 14 G H2' 1 15 A H1' 4.192 4.092 4.292 4.071 4.064 4.082 0.028 10 0 "[ . 1 ]" 1
301 1 14 G H2' 1 15 A H3' 4.263 4.163 4.363 4.297 4.292 4.304 . 0 0 "[ . 1 ]" 1
302 1 14 G H2' 1 15 A H4' 4.442 4.342 4.542 4.380 4.368 4.399 . 0 0 "[ . 1 ]" 1
303 1 14 G H2' 1 15 A H5' 2.891 2.791 2.991 3.000 2.997 3.001 0.010 5 0 "[ . 1 ]" 1
304 1 14 G H2' 1 15 A H5'' 4.268 4.168 4.368 4.298 4.289 4.311 . 0 0 "[ . 1 ]" 1
305 1 14 G H2' 1 15 A H8 1.674 . 1.774 1.820 1.817 1.822 0.048 5 0 "[ . 1 ]" 1
306 1 14 G H3' 1 14 G H4' 3.007 2.907 3.107 3.012 3.011 3.013 . 0 0 "[ . 1 ]" 1
307 1 14 G H3' 1 14 G H5' 3.686 3.586 3.786 3.694 3.687 3.703 . 0 0 "[ . 1 ]" 1
308 1 14 G H3' 1 14 G H5'' 3.085 2.985 3.185 3.105 3.093 3.124 . 0 0 "[ . 1 ]" 1
309 1 14 G H3' 1 14 G HO2' 3.596 3.496 3.696 3.595 3.591 3.597 . 0 0 "[ . 1 ]" 1
310 1 14 G H3' 1 14 G H8 3.163 3.063 3.263 3.095 3.088 3.098 . 0 0 "[ . 1 ]" 1
311 1 14 G H3' 1 15 A H5' 3.959 3.859 4.059 4.063 4.054 4.067 0.008 2 0 "[ . 1 ]" 1
312 1 14 G H3' 1 15 A H5'' 4.908 4.808 5.008 5.054 5.050 5.057 0.049 7 0 "[ . 1 ]" 1
313 1 14 G H3' 1 15 A H8 3.024 2.924 3.124 3.149 3.141 3.156 0.032 7 0 "[ . 1 ]" 1
314 1 14 G H4' 1 14 G H5' 2.534 2.434 2.634 2.520 2.510 2.528 . 0 0 "[ . 1 ]" 1
315 1 14 G H4' 1 14 G H5'' 2.370 2.270 2.470 2.339 2.333 2.347 . 0 0 "[ . 1 ]" 1
316 1 14 G H4' 1 14 G HO2' 2.043 . 2.143 2.108 2.098 2.119 . 0 0 "[ . 1 ]" 1
317 1 14 G H4' 1 14 G H8 4.363 4.263 4.463 4.321 4.314 4.331 . 0 0 "[ . 1 ]" 1
318 1 14 G H4' 1 15 A H5' 4.168 4.068 4.268 4.077 4.070 4.086 . 0 0 "[ . 1 ]" 1
319 1 14 G H5' 1 14 G H5'' 1.776 . 1.876 1.774 1.773 1.776 . 0 0 "[ . 1 ]" 1
320 1 14 G H5' 1 14 G HO2' 4.410 4.310 4.510 4.436 4.430 4.443 . 0 0 "[ . 1 ]" 1
321 1 14 G H5' 1 14 G H8 3.522 3.422 3.622 3.525 3.496 3.556 . 0 0 "[ . 1 ]" 1
322 1 14 G H5'' 1 14 G HO2' 4.309 4.209 4.409 4.342 4.331 4.351 . 0 0 "[ . 1 ]" 1
323 1 14 G H5'' 1 14 G H8 4.325 4.225 4.425 4.316 4.297 4.337 . 0 0 "[ . 1 ]" 1
324 1 14 G HO2' 1 15 A H5' 2.942 2.842 3.042 2.817 2.813 2.821 0.029 7 0 "[ . 1 ]" 1
325 1 14 G HO2' 1 15 A H5'' 4.602 4.502 4.702 4.547 4.545 4.549 . 0 0 "[ . 1 ]" 1
326 1 14 G HO2' 1 15 A H8 4.547 4.447 4.647 4.536 4.532 4.541 . 0 0 "[ . 1 ]" 1
327 1 14 G H8 1 15 A H8 4.786 4.686 4.886 5.027 5.010 5.034 0.148 11 0 "[ . 1 ]" 1
328 1 15 A H1' 1 15 A H2' 2.805 2.705 2.905 2.792 2.791 2.793 . 0 0 "[ . 1 ]" 1
329 1 15 A H1' 1 15 A H3' 3.857 3.757 3.957 3.852 3.850 3.853 . 0 0 "[ . 1 ]" 1
330 1 15 A H1' 1 15 A H4' 3.398 3.298 3.498 3.414 3.411 3.417 . 0 0 "[ . 1 ]" 1
331 1 15 A H1' 1 15 A H5' 4.577 4.477 4.677 4.618 4.609 4.623 . 0 0 "[ . 1 ]" 1
332 1 15 A H1' 1 15 A HO2' 2.565 2.465 2.665 2.556 2.483 2.608 . 0 0 "[ . 1 ]" 1
333 1 15 A H1' 1 15 A H8 3.727 3.627 3.827 3.715 3.713 3.718 . 0 0 "[ . 1 ]" 1
334 1 15 A H1' 1 16 G H5' 4.677 4.577 4.777 4.617 4.607 4.627 . 0 0 "[ . 1 ]" 1
335 1 15 A H1' 1 16 G H8 4.319 4.219 4.419 4.448 4.443 4.451 0.032 10 0 "[ . 1 ]" 1
336 1 15 A H2' 1 15 A H3' 2.425 2.325 2.525 2.414 2.413 2.416 . 0 0 "[ . 1 ]" 1
337 1 15 A H2' 1 15 A H4' 3.813 3.713 3.913 3.805 3.804 3.807 . 0 0 "[ . 1 ]" 1
338 1 15 A H2' 1 15 A HO2' 2.947 2.847 3.047 2.860 2.858 2.861 . 0 0 "[ . 1 ]" 1
339 1 15 A H2' 1 15 A H8 4.149 4.049 4.249 4.053 4.049 4.059 0.000 4 0 "[ . 1 ]" 1
340 1 15 A H2' 1 16 G H1' 4.192 4.092 4.292 4.276 4.267 4.284 . 0 0 "[ . 1 ]" 1
341 1 15 A H2' 1 16 G H3' 4.263 4.163 4.363 4.260 4.247 4.271 . 0 0 "[ . 1 ]" 1
342 1 15 A H2' 1 16 G H4' 4.442 4.342 4.542 4.383 4.374 4.392 . 0 0 "[ . 1 ]" 1
343 1 15 A H2' 1 16 G H5' 2.891 2.791 2.991 2.801 2.788 2.818 0.003 4 0 "[ . 1 ]" 1
344 1 15 A H2' 1 16 G H5'' 4.268 4.168 4.368 4.187 4.179 4.196 . 0 0 "[ . 1 ]" 1
345 1 15 A H2' 1 16 G H8 1.673 . 1.773 1.846 1.841 1.854 0.081 4 0 "[ . 1 ]" 1
346 1 15 A H3' 1 15 A H4' 3.008 2.908 3.108 3.009 3.008 3.009 . 0 0 "[ . 1 ]" 1
347 1 15 A H3' 1 15 A H5' 3.687 3.587 3.787 3.717 3.713 3.720 . 0 0 "[ . 1 ]" 1
348 1 15 A H3' 1 15 A H5'' 3.086 2.986 3.186 3.006 2.999 3.018 . 0 0 "[ . 1 ]" 1
349 1 15 A H3' 1 15 A HO2' 3.597 3.497 3.697 3.556 3.533 3.590 . 0 0 "[ . 1 ]" 1
350 1 15 A H3' 1 15 A H8 3.196 3.096 3.296 3.042 3.036 3.046 0.060 4 0 "[ . 1 ]" 1
351 1 15 A H3' 1 16 G H5' 3.959 3.859 4.059 4.007 3.985 4.023 . 0 0 "[ . 1 ]" 1
352 1 15 A H3' 1 16 G H5'' 4.908 4.808 5.008 4.942 4.935 4.951 . 0 0 "[ . 1 ]" 1
353 1 15 A H3' 1 16 G H8 3.023 2.923 3.123 3.134 3.129 3.139 0.016 2 0 "[ . 1 ]" 1
354 1 15 A H4' 1 15 A H5' 2.534 2.434 2.634 2.473 2.469 2.481 . 0 0 "[ . 1 ]" 1
355 1 15 A H4' 1 15 A H5'' 2.370 2.270 2.470 2.380 2.374 2.383 . 0 0 "[ . 1 ]" 1
356 1 15 A H4' 1 15 A HO2' 2.044 . 2.144 2.091 2.071 2.124 . 0 0 "[ . 1 ]" 1
357 1 15 A H4' 1 15 A H8 4.409 4.309 4.509 4.315 4.312 4.317 . 0 0 "[ . 1 ]" 1
358 1 15 A H4' 1 16 G H5' 4.167 4.067 4.267 4.276 4.273 4.279 0.012 2 0 "[ . 1 ]" 1
359 1 15 A H5' 1 15 A H5'' 1.776 . 1.876 1.773 1.772 1.774 . 0 0 "[ . 1 ]" 1
360 1 15 A H5' 1 15 A HO2' 4.410 4.310 4.510 4.414 4.404 4.424 . 0 0 "[ . 1 ]" 1
361 1 15 A H5' 1 15 A H8 3.564 3.464 3.664 3.603 3.590 3.615 . 0 0 "[ . 1 ]" 1
362 1 15 A H5'' 1 15 A HO2' 4.310 4.210 4.410 4.325 4.295 4.370 . 0 0 "[ . 1 ]" 1
363 1 15 A H5'' 1 15 A H8 4.368 4.268 4.468 4.204 4.202 4.211 0.066 6 0 "[ . 1 ]" 1
364 1 15 A HO2' 1 16 G H5' 2.941 2.841 3.041 2.907 2.876 2.959 . 0 0 "[ . 1 ]" 1
365 1 15 A HO2' 1 16 G H5'' 4.602 4.502 4.702 4.539 4.501 4.602 0.001 11 0 "[ . 1 ]" 1
366 1 15 A HO2' 1 16 G H8 4.547 4.447 4.647 4.636 4.617 4.646 . 0 0 "[ . 1 ]" 1
367 1 15 A H8 1 16 G H8 4.797 4.697 4.897 4.773 4.740 4.796 . 0 0 "[ . 1 ]" 1
368 1 16 G H1' 1 16 G H2' 2.805 2.705 2.905 2.805 2.804 2.808 . 0 0 "[ . 1 ]" 1
369 1 16 G H1' 1 16 G H3' 3.857 3.757 3.957 3.852 3.849 3.856 . 0 0 "[ . 1 ]" 1
370 1 16 G H1' 1 16 G H4' 3.397 3.297 3.497 3.354 3.343 3.362 . 0 0 "[ . 1 ]" 1
371 1 16 G H1' 1 16 G H5' 4.577 4.477 4.677 4.569 4.562 4.574 . 0 0 "[ . 1 ]" 1
372 1 16 G H1' 1 16 G HO2' 2.565 2.465 2.665 2.516 2.468 2.575 . 0 0 "[ . 1 ]" 1
373 1 16 G H1' 1 16 G Q2 4.775 4.675 4.875 4.545 4.542 4.547 0.133 8 0 "[ . 1 ]" 1
374 1 16 G H1' 1 16 G H8 3.727 3.627 3.827 3.689 3.688 3.691 . 0 0 "[ . 1 ]" 1
375 1 16 G H2' 1 16 G H3' 2.425 2.325 2.525 2.413 2.412 2.414 . 0 0 "[ . 1 ]" 1
376 1 16 G H2' 1 16 G H4' 3.813 3.713 3.913 3.793 3.789 3.797 . 0 0 "[ . 1 ]" 1
377 1 16 G H2' 1 16 G HO2' 2.947 2.847 3.047 2.861 2.859 2.862 . 0 0 "[ . 1 ]" 1
378 1 16 G H2' 1 16 G Q2 4.701 4.601 4.801 4.567 4.564 4.571 0.037 11 0 "[ . 1 ]" 1
379 1 16 G H2' 1 16 G H8 4.150 4.050 4.250 4.041 4.037 4.045 0.013 8 0 "[ . 1 ]" 1
380 1 16 G H3' 1 16 G H4' 3.007 2.907 3.107 3.013 3.012 3.015 . 0 0 "[ . 1 ]" 1
381 1 16 G H3' 1 16 G H5' 3.687 3.587 3.787 3.698 3.694 3.700 . 0 0 "[ . 1 ]" 1
382 1 16 G H3' 1 16 G H5'' 3.085 2.985 3.185 3.094 3.083 3.109 . 0 0 "[ . 1 ]" 1
383 1 16 G H3' 1 16 G HO2' 3.596 3.496 3.696 3.563 3.536 3.586 . 0 0 "[ . 1 ]" 1
384 1 16 G H3' 1 16 G H8 3.196 3.096 3.296 3.084 3.081 3.086 0.015 9 0 "[ . 1 ]" 1
385 1 16 G H4' 1 16 G H5' 2.534 2.434 2.634 2.513 2.508 2.519 . 0 0 "[ . 1 ]" 1
386 1 16 G H4' 1 16 G H5'' 2.370 2.270 2.470 2.346 2.341 2.351 . 0 0 "[ . 1 ]" 1
387 1 16 G H4' 1 16 G HO2' 2.043 . 2.143 2.080 2.049 2.108 . 0 0 "[ . 1 ]" 1
388 1 16 G H4' 1 16 G H8 4.410 4.310 4.510 4.336 4.330 4.347 . 0 0 "[ . 1 ]" 1
389 1 16 G H5' 1 16 G H5'' 1.776 . 1.876 1.775 1.773 1.776 . 0 0 "[ . 1 ]" 1
390 1 16 G H5' 1 16 G HO2' 4.409 4.309 4.509 4.436 4.429 4.448 . 0 0 "[ . 1 ]" 1
391 1 16 G H5' 1 16 G H8 3.564 3.464 3.664 3.586 3.579 3.597 . 0 0 "[ . 1 ]" 1
392 1 16 G H5'' 1 16 G HO2' 4.309 4.209 4.409 4.302 4.259 4.338 . 0 0 "[ . 1 ]" 1
393 1 16 G H5'' 1 16 G H8 4.368 4.268 4.468 4.344 4.324 4.374 . 0 0 "[ . 1 ]" 1
394 1 16 G H21 1 16 G H22 1.784 . 1.884 1.757 1.756 1.758 . 0 0 "[ . 1 ]" 1
395 1 2 C H1' 1 16 G Q2 . 4.393 4.473 4.310 4.297 4.315 0.096 4 0 "[ . 1 ]" 1
396 1 1 C H1' 1 16 G Q2 4.317 4.217 4.417 8.258 8.251 8.262 3.845 10 11 [******-**+*] 1
397 1 1 C H2' 1 16 G Q2 4.667 4.567 4.767 7.009 6.993 7.020 2.253 10 11 [***-*****+*] 1
398 1 1 C Q4 1 16 G Q2 4.566 4.466 4.666 5.883 5.872 5.891 1.225 9 11 [********+-*] 1
399 1 2 C H6 1 16 G Q2 4.961 4.861 5.061 6.080 6.065 6.086 1.025 5 11 [***-+******] 1
400 1 2 C Q4 1 16 G H1 . 3.985 3.988 2.509 2.497 2.517 1.488 10 11 [**-******+*] 1
401 1 2 C H5 1 16 G H1 4.398 4.298 4.498 5.140 5.134 5.145 0.647 9 11 [********+-*] 1
402 1 5 C H1' 1 6 C H2' 7.030 5.630 8.430 7.547 7.003 7.862 . 0 0 "[ . 1 ]" 1
403 1 5 C H1' 1 6 C H6 5.530 4.430 6.630 5.262 5.151 5.545 . 0 0 "[ . 1 ]" 1
404 1 5 C H5 1 6 C H6 5.910 4.710 7.110 6.490 5.989 6.838 . 0 0 "[ . 1 ]" 1
405 1 6 C H5 1 6 C H6 2.440 . 2.940 2.440 2.438 2.441 . 0 0 "[ . 1 ]" 1
406 1 6 C H2' 1 6 C H6 3.720 3.020 4.420 3.792 3.628 3.899 . 0 0 "[ . 1 ]" 1
407 1 6 C H2' 1 6 C H5 5.230 4.230 6.230 5.297 5.185 5.373 . 0 0 "[ . 1 ]" 1
408 1 6 C H1' 1 6 C H6 3.600 2.900 4.300 3.588 3.554 3.635 . 0 0 "[ . 1 ]" 1
409 1 6 C H3' 1 6 C H6 2.590 . 3.290 2.626 2.380 2.781 . 0 0 "[ . 1 ]" 1
410 1 5 C H5 1 6 C H5 5.590 4.490 6.690 5.815 5.182 6.388 . 0 0 "[ . 1 ]" 1
411 1 5 C H2' 1 6 C H6 2.780 2.180 3.380 2.472 2.345 2.732 . 0 0 "[ . 1 ]" 1
412 1 5 C H3' 1 6 C H6 3.300 2.600 4.000 3.412 3.041 3.725 . 0 0 "[ . 1 ]" 1
413 1 6 C H6 1 7 U H5 3.520 2.820 4.220 3.570 3.017 3.906 . 0 0 "[ . 1 ]" 1
414 1 5 C H2' 1 6 C H5 4.730 3.830 5.630 4.046 3.828 4.601 0.002 7 0 "[ . 1 ]" 1
415 1 5 C H4' 1 6 C H6 5.850 4.650 7.050 5.577 5.447 5.762 . 0 0 "[ . 1 ]" 1
416 1 6 C H1' 1 6 C H2' 2.790 2.290 3.290 2.778 2.775 2.782 . 0 0 "[ . 1 ]" 1
417 1 7 U H5 1 7 U H6 2.440 . 2.940 2.407 2.406 2.408 . 0 0 "[ . 1 ]" 1
418 1 7 U H1' 1 7 U H2' 2.790 2.190 3.390 2.781 2.777 2.787 . 0 0 "[ . 1 ]" 1
419 1 7 U H2' 1 7 U H6 4.040 3.240 4.840 3.759 3.673 3.865 . 0 0 "[ . 1 ]" 1
420 1 7 U H1' 1 7 U H6 3.480 2.780 4.180 3.599 3.568 3.621 . 0 0 "[ . 1 ]" 1
421 1 7 U H3' 1 7 U H6 3.110 2.510 3.710 2.592 2.501 2.737 0.009 9 0 "[ . 1 ]" 1
422 1 6 C H1' 1 7 U H6 5.540 4.440 6.640 5.097 5.079 5.107 . 0 0 "[ . 1 ]" 1
423 1 6 C H2' 1 7 U H6 2.830 2.230 3.430 2.332 2.318 2.339 . 0 0 "[ . 1 ]" 1
424 1 6 C H2' 1 7 U H5 2.710 2.210 3.210 2.818 2.430 3.090 . 0 0 "[ . 1 ]" 1
425 1 6 C H3' 1 7 U H5 2.340 . 2.840 2.573 2.386 2.842 0.002 7 0 "[ . 1 ]" 1
426 1 7 U H4' 1 7 U H6 4.000 3.200 4.800 3.844 3.834 3.862 . 0 0 "[ . 1 ]" 1
427 1 7 U H3' 1 7 U H5 4.790 3.890 5.690 4.423 4.376 4.503 . 0 0 "[ . 1 ]" 1
428 1 8 U H2' 1 8 U H6 4.520 3.620 5.420 4.248 4.202 4.301 . 0 0 "[ . 1 ]" 1
429 1 8 U H3' 1 8 U H6 3.910 3.110 4.710 3.450 3.350 3.544 . 0 0 "[ . 1 ]" 1
430 1 8 U H5'' 1 8 U H6 2.320 . 2.820 2.344 2.312 2.458 . 0 0 "[ . 1 ]" 1
431 1 8 U H5' 1 8 U H6 3.950 3.150 4.750 3.540 3.147 3.931 0.003 4 0 "[ . 1 ]" 1
432 1 8 U H1' 1 8 U H6 3.160 2.560 3.760 3.363 3.329 3.396 . 0 0 "[ . 1 ]" 1
433 1 8 U H6 1 9 A H1' 7.110 5.710 8.510 7.563 7.113 8.137 . 0 0 "[ . 1 ]" 1
434 1 8 U H1' 1 8 U H2' 2.740 2.240 3.240 2.785 2.778 2.792 . 0 0 "[ . 1 ]" 1
435 1 9 A H1' 1 9 A H2' 3.060 2.460 3.660 3.068 3.057 3.077 . 0 0 "[ . 1 ]" 1
436 1 9 A H2' 1 9 A H8 3.600 2.900 4.300 3.423 3.093 3.807 . 0 0 "[ . 1 ]" 1
437 1 9 A H1' 1 9 A H8 3.670 2.970 4.370 3.733 3.607 3.822 . 0 0 "[ . 1 ]" 1
438 1 9 A H3' 1 9 A H8 5.130 4.130 6.130 4.963 4.758 5.190 . 0 0 "[ . 1 ]" 1
439 1 9 A H4' 1 9 A H8 4.510 3.610 5.410 4.421 4.283 4.598 . 0 0 "[ . 1 ]" 1
440 1 9 A H1' 1 9 A H4' 3.310 2.610 4.010 3.482 3.331 3.603 . 0 0 "[ . 1 ]" 1
441 1 9 A H2 1 11 6MZ H1' 6.560 5.260 7.860 7.121 6.424 7.723 . 0 0 "[ . 1 ]" 1
442 1 7 U H1' 1 9 A H8 5.110 4.110 6.110 5.335 4.717 5.955 . 0 0 "[ . 1 ]" 1
443 1 7 U H2' 1 9 A H8 3.680 2.980 4.380 4.313 4.050 4.389 0.009 11 0 "[ . 1 ]" 1
444 1 9 A H2 1 10 C H1' 4.260 3.360 5.160 4.765 3.991 5.161 0.001 10 0 "[ . 1 ]" 1
445 1 8 U H1' 1 9 A H8 6.100 4.900 7.300 6.212 5.972 6.596 . 0 0 "[ . 1 ]" 1
446 1 8 U H2' 1 9 A H8 4.690 3.790 5.590 4.244 3.849 4.995 . 0 0 "[ . 1 ]" 1
447 1 8 U H5'' 1 9 A H8 4.140 3.340 4.940 4.699 3.885 4.947 0.007 2 0 "[ . 1 ]" 1
448 1 8 U H6 1 9 A H8 4.880 3.880 5.880 5.060 4.845 5.359 . 0 0 "[ . 1 ]" 1
449 1 8 U H5' 1 9 A H8 3.810 3.010 4.610 3.453 3.018 3.869 . 0 0 "[ . 1 ]" 1
450 1 8 U H3' 1 9 A H8 3.070 2.470 3.670 2.524 2.463 2.840 0.007 2 0 "[ . 1 ]" 1
451 1 10 C H1' 1 10 C H2' 2.820 2.220 3.420 2.809 2.805 2.819 . 0 0 "[ . 1 ]" 1
452 1 10 C H5 1 10 C H6 2.440 . 2.940 2.439 2.437 2.440 . 0 0 "[ . 1 ]" 1
453 1 10 C H2' 1 10 C H6 3.410 2.710 4.110 3.592 3.486 3.746 . 0 0 "[ . 1 ]" 1
454 1 10 C H1' 1 10 C H6 3.660 2.960 4.360 3.628 3.588 3.655 . 0 0 "[ . 1 ]" 1
455 1 10 C H3' 1 10 C H6 2.340 . 2.840 2.498 2.353 2.688 . 0 0 "[ . 1 ]" 1
456 1 10 C H4' 1 10 C H6 4.020 3.220 4.820 3.976 3.957 4.013 . 0 0 "[ . 1 ]" 1
457 1 7 U H1' 1 10 C H6 7.290 5.890 8.690 7.358 6.541 8.276 . 0 0 "[ . 1 ]" 1
458 1 9 A H2' 1 10 C H6 2.330 . 2.830 2.460 2.340 2.653 . 0 0 "[ . 1 ]" 1
459 1 9 A H3' 1 10 C H6 3.640 2.940 4.340 3.836 3.643 4.085 . 0 0 "[ . 1 ]" 1
460 1 9 A H4' 1 10 C H6 5.800 4.600 7.000 5.902 5.784 6.142 . 0 0 "[ . 1 ]" 1
461 1 10 C H6 1 11 6MZ H1' 5.010 4.010 6.010 5.866 5.431 6.019 0.009 11 0 "[ . 1 ]" 1
462 1 10 C H6 1 11 6MZ H4' 6.720 5.420 8.020 7.330 6.775 7.568 . 0 0 "[ . 1 ]" 1
463 1 9 A H2' 1 10 C H5 2.470 . 2.970 2.503 2.328 2.960 . 0 0 "[ . 1 ]" 1
464 1 9 A H8 1 10 C H5 4.260 3.460 5.060 4.098 3.460 4.839 . 0 0 "[ . 1 ]" 1
465 1 10 C H5 1 11 6MZ H8 5.290 4.290 6.290 6.019 5.605 6.298 0.008 6 0 "[ . 1 ]" 1
466 1 11 6MZ H1' 1 11 6MZ H8 3.790 2.990 4.300 3.831 3.791 3.863 . 0 0 "[ . 1 ]" 1
467 1 11 6MZ H3' 1 11 6MZ H8 . 2.730 3.160 2.464 2.336 2.753 0.394 3 0 "[ . 1 ]" 1
468 1 11 6MZ H2' 1 11 6MZ H8 3.810 3.360 4.610 3.625 3.389 3.785 . 0 0 "[ . 1 ]" 1
469 1 11 6MZ H4' 1 11 6MZ H8 4.160 3.430 4.960 4.161 4.067 4.285 . 0 0 "[ . 1 ]" 1
470 1 11 6MZ H1' 1 11 6MZ H4' 3.520 2.820 4.220 3.513 3.422 3.584 . 0 0 "[ . 1 ]" 1
471 1 11 6MZ H1' 1 11 6MZ H3' 3.870 3.070 4.670 3.874 3.861 3.881 . 0 0 "[ . 1 ]" 1
472 1 11 6MZ H1' 1 11 6MZ H2' 2.780 2.280 3.280 2.782 2.765 2.802 . 0 0 "[ . 1 ]" 1
473 1 11 6MZ H1' 1 11 6MZ H2 3.720 3.020 4.420 4.579 4.518 4.645 0.225 2 0 "[ . 1 ]" 1
474 1 11 6MZ H2' 1 12 A H8 2.410 . 2.910 3.493 2.329 4.437 1.527 9 6 "[ ***. -+* ]" 1
475 1 11 6MZ H3' 1 12 A H8 2.340 . 2.840 3.537 2.580 4.299 1.459 9 7 "[- **. **+* ]" 1
476 1 11 6MZ H2 1 12 A H1' 2.560 2.060 3.060 3.594 3.311 4.365 1.305 10 4 "[ * .- +*]" 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 16
_Distance_constraint_stats_list.Viol_count 176
_Distance_constraint_stats_list.Viol_total 5769.958
_Distance_constraint_stats_list.Viol_max 3.961
_Distance_constraint_stats_list.Viol_rms 0.7346
_Distance_constraint_stats_list.Viol_average_all_restraints 2.9804
_Distance_constraint_stats_list.Viol_average_violations_only 2.9804
_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 C 197.375 3.961 10 11 [********-+*]
1 2 C 32.517 2.967 4 11 [***+******-]
1 3 U 67.624 3.197 7 11 [**-***+****]
1 4 C 191.195 3.920 6 11 [**-**+*****]
1 5 C 35.831 3.899 8 11 [******-+***]
1 12 A 35.831 3.899 8 11 [******-+***]
1 13 G 191.195 3.920 6 11 [**-**+*****]
1 14 G 67.624 3.197 7 11 [**-***+****]
1 15 A 32.517 2.967 4 11 [***+******-]
1 16 G 197.375 3.961 10 11 [********-+*]
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 C N3 1 16 G N1 2.910 2.810 3.010 5.931 5.926 5.939 2.929 4 11 [***+******-] 2
2 1 1 C N4 1 16 G O6 2.710 2.610 2.810 4.695 4.682 4.711 1.901 4 11 [***+****-**] 2
3 1 1 C O2 1 16 G N2 3.080 2.980 3.180 7.135 7.129 7.141 3.961 10 11 [******-**+*] 2
4 1 1 C N3 1 16 G H1 1.890 . 1.990 5.202 5.198 5.207 3.217 10 11 [*********+-] 2
5 1 1 C Q4 1 16 G O6 1.710 . 1.810 3.892 3.880 3.906 2.096 4 11 [***+****-**] 2
6 1 1 C O2 1 16 G Q2 2.080 . 2.180 6.068 6.062 6.073 3.893 10 11 [***-*****+*] 2
7 1 2 C N3 1 15 A N1 2.910 2.810 3.010 5.966 5.956 5.977 2.967 4 11 [***+******-] 2
8 1 3 U N3 1 14 G N1 2.950 2.850 3.050 6.011 5.989 6.021 2.971 7 11 [**-***+****] 2
9 1 3 U H3 1 14 G N1 1.930 . 2.030 5.217 5.197 5.227 3.197 7 11 [**-***+****] 2
10 1 4 C N3 1 13 G N1 2.910 2.810 3.010 5.856 5.830 5.867 2.857 11 11 [**-*******+] 2
11 1 4 C N4 1 13 G O6 2.710 2.610 2.810 4.536 4.478 4.566 1.756 7 11 [**-***+****] 2
12 1 4 C O2 1 13 G N2 3.080 2.980 3.180 7.095 7.090 7.100 3.920 6 11 [*****+-****] 2
13 1 4 C N3 1 13 G H1 1.890 . 1.990 5.154 5.136 5.162 3.172 11 11 [**-*******+] 2
14 1 4 C Q4 1 13 G O6 1.710 . 1.810 3.686 3.632 3.717 1.907 7 11 [**-***+****] 2
15 1 4 C O2 1 13 G Q2 2.080 . 2.180 6.035 6.028 6.041 3.861 6 11 [*****+-****] 2
16 1 5 C N3 1 12 A N1 2.910 2.810 3.010 6.267 5.718 6.909 3.899 8 11 [******-+***] 2
stop_
save_
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