NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
382845 |
1jp0   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1jp0
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 402
_Distance_constraint_stats_list.Viol_count 3299
_Distance_constraint_stats_list.Viol_total 10243.775
_Distance_constraint_stats_list.Viol_max 1.804
_Distance_constraint_stats_list.Viol_rms 0.0897
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0325
_Distance_constraint_stats_list.Viol_average_violations_only 0.1109
_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 8.632 0.403 21 0 "[ . 1 . 2 . ]"
1 2 G 22.575 0.403 21 0 "[ . 1 . 2 . ]"
1 3 C 24.320 0.326 27 0 "[ . 1 . 2 . ]"
1 4 G 37.131 0.328 23 0 "[ . 1 . 2 . ]"
1 5 G 28.269 0.328 23 0 "[ . 1 . 2 . ]"
1 6 U 26.033 0.505 13 1 "[ . 1 + . 2 . ]"
1 7 G 29.281 0.505 13 1 "[ . 1 + . 2 . ]"
1 8 C 66.469 1.804 22 28 [*********************+**-***]
1 9 U 66.700 1.804 22 28 [*********************+*****-]
1 10 G 41.584 0.451 24 0 "[ . 1 . 2 . ]"
1 11 A 57.820 0.342 9 0 "[ . 1 . 2 . ]"
1 12 G 53.871 0.396 15 0 "[ . 1 . 2 . ]"
1 13 A 42.450 0.451 24 0 "[ . 1 . 2 . ]"
1 14 U 21.520 0.343 17 0 "[ . 1 . 2 . ]"
1 15 G 23.524 0.343 17 0 "[ . 1 . 2 . ]"
1 16 C 21.879 0.258 22 0 "[ . 1 . 2 . ]"
1 17 C 10.923 0.248 11 0 "[ . 1 . 2 . ]"
1 18 C 26.210 0.248 11 0 "[ . 1 . 2 . ]"
1 19 G 8.610 0.147 8 0 "[ . 1 . 2 . ]"
1 20 U 38.775 0.260 20 0 "[ . 1 . 2 . ]"
1 21 C 30.060 0.276 21 0 "[ . 1 . 2 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 G H1 1 21 C N3 1.890 . 2.390 2.001 1.950 2.029 . 0 0 "[ . 1 . 2 . ]" 1
2 1 1 G H1' 1 1 G H4' 3.200 2.200 4.200 3.569 3.340 3.649 . 0 0 "[ . 1 . 2 . ]" 1
3 1 1 G H1' 1 1 G H8 3.200 2.200 4.200 3.758 3.621 3.784 . 0 0 "[ . 1 . 2 . ]" 1
4 1 1 G H1' 1 2 G H8 4.200 3.400 5.000 4.227 4.169 4.291 . 0 0 "[ . 1 . 2 . ]" 1
5 1 1 G H2' 1 1 G H8 4.200 3.400 5.000 3.933 3.871 4.118 . 0 0 "[ . 1 . 2 . ]" 1
6 1 1 G H2' 1 2 G H1' 3.200 2.200 4.200 3.826 3.709 4.603 0.403 21 0 "[ . 1 . 2 . ]" 1
7 1 1 G H2' 1 2 G H3' 3.200 2.200 4.200 4.336 4.266 4.371 0.171 8 0 "[ . 1 . 2 . ]" 1
8 1 1 G H2' 1 2 G H4' 3.200 2.400 4.000 3.753 3.639 4.184 0.184 21 0 "[ . 1 . 2 . ]" 1
9 1 1 G H2' 1 2 G H5' 3.200 2.200 4.200 3.780 2.004 3.870 0.196 21 0 "[ . 1 . 2 . ]" 1
10 1 1 G H2' 1 2 G H5'' 3.200 2.400 4.000 2.366 2.044 2.394 0.356 21 0 "[ . 1 . 2 . ]" 1
11 1 1 G H2' 1 2 G H8 2.400 . 3.000 1.977 1.774 2.131 0.026 21 0 "[ . 1 . 2 . ]" 1
12 1 1 G H21 1 21 C O2 2.080 . 2.580 1.631 1.576 1.663 0.004 21 0 "[ . 1 . 2 . ]" 1
13 1 1 G H3' 1 1 G H8 2.500 . 3.200 2.840 2.689 3.360 0.160 21 0 "[ . 1 . 2 . ]" 1
14 1 1 G H3' 1 2 G H5' 4.200 3.400 5.000 4.910 3.167 5.009 0.233 21 0 "[ . 1 . 2 . ]" 1
15 1 1 G H3' 1 2 G H5'' 4.200 3.400 5.000 3.655 3.295 3.699 0.105 21 0 "[ . 1 . 2 . ]" 1
16 1 1 G N1 1 21 C N3 2.910 2.410 3.410 2.925 2.899 2.942 . 0 0 "[ . 1 . 2 . ]" 1
17 1 1 G N2 1 21 C O2 3.080 2.580 3.580 2.561 2.523 2.573 0.057 26 0 "[ . 1 . 2 . ]" 1
18 1 1 G O6 1 21 C H41 1.710 . 2.210 2.282 2.236 2.304 0.094 3 0 "[ . 1 . 2 . ]" 1
19 1 1 G O6 1 21 C N4 2.710 2.210 3.210 3.180 3.120 3.215 0.005 21 0 "[ . 1 . 2 . ]" 1
20 1 2 G H1 1 3 C H1' 3.600 3.100 4.100 3.629 3.572 3.800 . 0 0 "[ . 1 . 2 . ]" 1
21 1 2 G H1 1 3 C H41 3.500 . 5.200 4.667 4.501 4.704 . 0 0 "[ . 1 . 2 . ]" 1
22 1 2 G H1 1 3 C H42 3.500 . 5.200 5.250 5.067 5.277 0.077 9 0 "[ . 1 . 2 . ]" 1
23 1 2 G H1 1 19 G H1 3.500 . 5.200 3.767 3.602 3.848 . 0 0 "[ . 1 . 2 . ]" 1
24 1 2 G H1 1 20 U H3 2.500 . 3.200 1.784 1.744 1.802 0.056 20 0 "[ . 1 . 2 . ]" 1
25 1 2 G H1 1 20 U O2 1.710 . 2.210 2.279 2.267 2.306 0.096 20 0 "[ . 1 . 2 . ]" 1
26 1 2 G H1 1 21 C H1' 3.500 . 5.200 2.418 2.197 2.531 . 0 0 "[ . 1 . 2 . ]" 1
27 1 2 G H1 1 21 C H41 3.500 . 5.200 5.243 5.219 5.282 0.082 21 0 "[ . 1 . 2 . ]" 1
28 1 2 G H1 1 21 C H6 3.500 . 5.200 4.425 4.244 4.479 . 0 0 "[ . 1 . 2 . ]" 1
29 1 2 G H1' 1 3 C H5' 4.200 3.400 5.000 4.900 4.524 5.039 0.039 2 0 "[ . 1 . 2 . ]" 1
30 1 2 G H1' 1 3 C H6 4.200 3.400 5.000 4.563 4.261 4.810 . 0 0 "[ . 1 . 2 . ]" 1
31 1 2 G H2' 1 2 G H8 4.200 3.400 5.000 4.351 4.225 4.382 . 0 0 "[ . 1 . 2 . ]" 1
32 1 2 G H2' 1 3 C H1' 4.200 3.400 5.000 3.758 3.554 4.075 . 0 0 "[ . 1 . 2 . ]" 1
33 1 2 G H2' 1 3 C H3' 4.200 3.400 5.000 4.537 4.165 4.686 . 0 0 "[ . 1 . 2 . ]" 1
34 1 2 G H2' 1 3 C H4' 3.200 2.200 4.200 3.767 3.565 4.071 . 0 0 "[ . 1 . 2 . ]" 1
35 1 2 G H2' 1 3 C H5 4.000 2.800 5.200 4.154 3.922 4.293 . 0 0 "[ . 1 . 2 . ]" 1
36 1 2 G H2' 1 3 C H5' 2.500 . 3.200 2.645 2.246 2.785 . 0 0 "[ . 1 . 2 . ]" 1
37 1 2 G H2' 1 3 C H5'' 4.200 3.200 5.200 4.086 3.786 4.180 . 0 0 "[ . 1 . 2 . ]" 1
38 1 2 G H2' 1 3 C H6 2.400 . 3.000 2.196 1.891 2.393 . 0 0 "[ . 1 . 2 . ]" 1
39 1 2 G H21 1 3 C H6 3.500 . 5.200 5.184 5.063 5.247 0.047 20 0 "[ . 1 . 2 . ]" 1
40 1 2 G H21 1 20 U H1' 4.200 3.400 5.000 5.013 4.871 5.055 0.055 8 0 "[ . 1 . 2 . ]" 1
41 1 2 G H21 1 20 U H3 4.200 3.400 5.000 3.720 3.672 3.759 . 0 0 "[ . 1 . 2 . ]" 1
42 1 2 G H22 1 21 C H2' 3.500 . 5.200 3.592 3.489 3.822 . 0 0 "[ . 1 . 2 . ]" 1
43 1 2 G H22 1 21 C H3' 3.500 . 5.200 5.439 5.421 5.476 0.276 21 0 "[ . 1 . 2 . ]" 1
44 1 2 G H3' 1 2 G H5' 3.500 . 5.200 2.614 2.444 2.653 . 0 0 "[ . 1 . 2 . ]" 1
45 1 2 G H3' 1 2 G H8 2.500 . 3.200 3.244 3.038 3.280 0.080 26 0 "[ . 1 . 2 . ]" 1
46 1 2 G H3' 1 3 C H5 3.500 2.500 4.500 3.069 2.793 3.201 . 0 0 "[ . 1 . 2 . ]" 1
47 1 2 G H3' 1 3 C H6 2.500 . 3.200 2.471 2.399 2.678 . 0 0 "[ . 1 . 2 . ]" 1
48 1 2 G H4' 1 2 G H5' 3.000 . 4.200 2.544 2.513 2.992 . 0 0 "[ . 1 . 2 . ]" 1
49 1 2 G H4' 1 3 C H6 4.000 2.800 5.200 5.163 5.093 5.237 0.037 20 0 "[ . 1 . 2 . ]" 1
50 1 2 G H5' 1 3 C H5 4.200 3.400 5.000 4.840 4.418 5.003 0.003 20 0 "[ . 1 . 2 . ]" 1
51 1 2 G H5' 1 3 C H6 4.200 3.400 5.000 5.009 4.764 5.047 0.047 26 0 "[ . 1 . 2 . ]" 1
52 1 2 G H8 1 3 C H5 4.000 2.800 5.200 4.051 3.687 4.434 . 0 0 "[ . 1 . 2 . ]" 1
53 1 2 G H8 1 3 C H6 4.200 3.400 5.000 4.688 4.518 4.946 . 0 0 "[ . 1 . 2 . ]" 1
54 1 2 G N1 1 20 U O2 2.710 2.210 3.210 3.271 3.246 3.307 0.097 20 0 "[ . 1 . 2 . ]" 1
55 1 2 G O6 1 20 U H3 1.710 . 2.210 2.076 1.986 2.131 . 0 0 "[ . 1 . 2 . ]" 1
56 1 2 G O6 1 20 U N3 2.710 2.210 3.210 2.955 2.843 3.053 . 0 0 "[ . 1 . 2 . ]" 1
57 1 3 C H1' 1 3 C H6 3.200 2.200 4.200 3.428 3.385 3.485 . 0 0 "[ . 1 . 2 . ]" 1
58 1 3 C H1' 1 4 G H5'' 4.200 3.400 5.000 5.140 5.024 5.297 0.297 22 0 "[ . 1 . 2 . ]" 1
59 1 3 C H1' 1 4 G H8 4.200 3.400 5.000 4.390 4.157 4.611 . 0 0 "[ . 1 . 2 . ]" 1
60 1 3 C H1' 1 20 U H3 3.500 . 5.200 5.296 5.259 5.355 0.155 26 0 "[ . 1 . 2 . ]" 1
61 1 3 C H2' 1 3 C H5 4.000 2.800 6.000 5.558 5.467 5.604 . 0 0 "[ . 1 . 2 . ]" 1
62 1 3 C H2' 1 3 C H6 4.200 3.400 5.000 4.127 4.000 4.209 . 0 0 "[ . 1 . 2 . ]" 1
63 1 3 C H2' 1 4 G H1' 4.200 3.400 5.000 4.632 3.620 5.050 0.050 14 0 "[ . 1 . 2 . ]" 1
64 1 3 C H2' 1 4 G H4' 3.400 2.600 4.200 4.245 3.625 4.476 0.276 6 0 "[ . 1 . 2 . ]" 1
65 1 3 C H2' 1 4 G H5' 2.500 . 3.200 2.299 1.685 3.434 0.234 14 0 "[ . 1 . 2 . ]" 1
66 1 3 C H2' 1 4 G H5'' 3.400 2.600 4.200 3.201 2.384 3.905 0.216 14 0 "[ . 1 . 2 . ]" 1
67 1 3 C H2' 1 4 G H8 2.500 . 3.200 1.934 1.783 2.419 0.017 28 0 "[ . 1 . 2 . ]" 1
68 1 3 C H3' 1 3 C H5' 3.500 . 5.200 3.741 3.696 3.770 . 0 0 "[ . 1 . 2 . ]" 1
69 1 3 C H3' 1 3 C H6 2.500 . 3.200 3.264 3.141 3.338 0.138 13 0 "[ . 1 . 2 . ]" 1
70 1 3 C H3' 1 4 G H5' 2.500 . 3.200 3.313 3.119 3.526 0.326 27 0 "[ . 1 . 2 . ]" 1
71 1 3 C H3' 1 4 G H5'' 4.200 3.400 5.000 4.176 3.265 4.862 0.135 18 0 "[ . 1 . 2 . ]" 1
72 1 3 C H3' 1 4 G H8 4.200 3.400 5.000 3.516 3.303 3.997 0.097 22 0 "[ . 1 . 2 . ]" 1
73 1 3 C H4' 1 3 C H5' 3.000 . 4.200 2.407 2.366 2.496 . 0 0 "[ . 1 . 2 . ]" 1
74 1 3 C H41 1 19 G H1 2.500 . 3.200 2.315 1.917 2.566 . 0 0 "[ . 1 . 2 . ]" 1
75 1 3 C H41 1 19 G O6 1.710 . 2.210 1.961 1.820 2.222 0.012 20 0 "[ . 1 . 2 . ]" 1
76 1 3 C H41 1 20 U H3 3.500 . 5.200 4.133 3.666 4.222 . 0 0 "[ . 1 . 2 . ]" 1
77 1 3 C H42 1 19 G H1 3.200 2.200 4.200 3.835 3.509 4.073 . 0 0 "[ . 1 . 2 . ]" 1
78 1 3 C H42 1 20 U H3 3.500 . 5.200 5.065 4.577 5.167 . 0 0 "[ . 1 . 2 . ]" 1
79 1 3 C N3 1 19 G H1 1.890 . 2.390 1.836 1.755 1.970 . 0 0 "[ . 1 . 2 . ]" 1
80 1 3 C N3 1 19 G N1 2.910 2.410 3.410 2.835 2.763 2.933 . 0 0 "[ . 1 . 2 . ]" 1
81 1 3 C N4 1 19 G O6 2.710 2.210 3.210 2.962 2.824 3.222 0.012 20 0 "[ . 1 . 2 . ]" 1
82 1 3 C O2 1 19 G H21 2.080 . 2.580 1.602 1.542 1.891 0.038 21 0 "[ . 1 . 2 . ]" 1
83 1 3 C O2 1 19 G N2 3.080 2.580 3.580 2.586 2.531 2.845 0.049 21 0 "[ . 1 . 2 . ]" 1
84 1 4 G H1 1 17 C H41 3.200 2.200 4.200 3.354 3.127 3.602 . 0 0 "[ . 1 . 2 . ]" 1
85 1 4 G H1 1 17 C H42 3.200 2.200 4.200 3.634 3.281 4.097 . 0 0 "[ . 1 . 2 . ]" 1
86 1 4 G H1 1 18 C H41 2.500 . 3.200 3.010 2.971 3.061 . 0 0 "[ . 1 . 2 . ]" 1
87 1 4 G H1 1 18 C H42 3.200 2.200 4.200 4.338 4.301 4.403 0.203 11 0 "[ . 1 . 2 . ]" 1
88 1 4 G H1 1 18 C H6 3.500 . 5.200 5.345 5.324 5.405 0.205 11 0 "[ . 1 . 2 . ]" 1
89 1 4 G H1 1 18 C N3 1.890 . 2.390 1.659 1.630 1.732 . 0 0 "[ . 1 . 2 . ]" 1
90 1 4 G H1 1 19 G H1' 3.300 2.500 4.100 3.645 3.518 3.838 . 0 0 "[ . 1 . 2 . ]" 1
91 1 4 G H1 1 19 G H2' 3.500 . 5.200 5.286 5.251 5.325 0.125 22 0 "[ . 1 . 2 . ]" 1
92 1 4 G H1 1 19 G H8 3.500 . 5.200 3.937 3.761 4.062 . 0 0 "[ . 1 . 2 . ]" 1
93 1 4 G H1' 1 4 G H4' 4.000 2.800 5.200 3.540 3.058 3.855 . 0 0 "[ . 1 . 2 . ]" 1
94 1 4 G H1' 1 4 G H8 4.200 3.400 5.000 3.632 3.524 3.739 . 0 0 "[ . 1 . 2 . ]" 1
95 1 4 G H1' 1 5 G H8 4.200 3.400 5.000 4.791 4.415 5.108 0.108 11 0 "[ . 1 . 2 . ]" 1
96 1 4 G H2' 1 4 G H8 4.200 3.400 5.000 4.190 3.926 4.478 . 0 0 "[ . 1 . 2 . ]" 1
97 1 4 G H2' 1 5 G H1' 4.200 3.400 5.000 5.056 4.408 5.277 0.277 25 0 "[ . 1 . 2 . ]" 1
98 1 4 G H2' 1 5 G H8 2.400 . 3.000 2.205 1.865 2.502 . 0 0 "[ . 1 . 2 . ]" 1
99 1 4 G H21 1 18 C O2 2.080 . 2.580 1.540 1.507 1.571 0.073 11 0 "[ . 1 . 2 . ]" 1
100 1 4 G H3' 1 4 G H5' 3.500 . 5.200 3.144 2.572 3.646 . 0 0 "[ . 1 . 2 . ]" 1
101 1 4 G H3' 1 4 G H8 2.800 . 3.600 3.284 2.737 3.698 0.098 21 0 "[ . 1 . 2 . ]" 1
102 1 4 G H3' 1 5 G H2' 4.000 2.800 5.200 5.320 5.217 5.528 0.328 23 0 "[ . 1 . 2 . ]" 1
103 1 4 G H3' 1 5 G H8 3.200 2.400 4.000 2.704 2.292 3.195 0.108 23 0 "[ . 1 . 2 . ]" 1
104 1 4 G H4' 1 4 G H5' 3.000 . 4.200 2.699 2.432 2.894 . 0 0 "[ . 1 . 2 . ]" 1
105 1 4 G H4' 1 4 G H8 4.000 2.800 5.200 4.149 3.938 4.568 . 0 0 "[ . 1 . 2 . ]" 1
106 1 4 G H8 1 19 G H1 3.500 . 5.200 4.276 3.842 4.697 . 0 0 "[ . 1 . 2 . ]" 1
107 1 4 G N1 1 18 C N3 2.910 2.410 3.410 2.636 2.603 2.724 . 0 0 "[ . 1 . 2 . ]" 1
108 1 4 G N2 1 18 C O2 3.080 2.580 3.580 2.489 2.465 2.525 0.115 6 0 "[ . 1 . 2 . ]" 1
109 1 4 G O6 1 18 C H41 1.710 . 2.210 1.810 1.713 2.028 . 0 0 "[ . 1 . 2 . ]" 1
110 1 4 G O6 1 18 C N4 2.710 2.210 3.210 2.744 2.649 2.944 . 0 0 "[ . 1 . 2 . ]" 1
111 1 5 G H1 1 7 G H1 3.300 2.600 4.000 3.922 3.772 4.070 0.070 23 0 "[ . 1 . 2 . ]" 1
112 1 5 G H1 1 16 C H41 4.200 3.400 5.000 3.876 3.583 4.275 . 0 0 "[ . 1 . 2 . ]" 1
113 1 5 G H1 1 17 C H41 2.500 . 3.200 2.534 1.759 2.945 0.041 22 0 "[ . 1 . 2 . ]" 1
114 1 5 G H1 1 17 C H42 3.200 2.200 4.200 3.939 3.307 4.249 0.049 26 0 "[ . 1 . 2 . ]" 1
115 1 5 G H1 1 17 C N3 1.890 . 2.390 1.783 1.614 2.053 . 0 0 "[ . 1 . 2 . ]" 1
116 1 5 G H1 1 18 C H1' 3.300 2.500 4.100 4.275 4.185 4.330 0.230 21 0 "[ . 1 . 2 . ]" 1
117 1 5 G H1' 1 5 G H8 3.200 2.200 4.200 3.850 3.802 3.907 . 0 0 "[ . 1 . 2 . ]" 1
118 1 5 G H1' 1 6 U H2' 2.500 . 3.200 2.872 1.825 3.430 0.230 20 0 "[ . 1 . 2 . ]" 1
119 1 5 G H1' 1 6 U H3' 2.500 . 3.200 3.099 2.770 3.439 0.239 13 0 "[ . 1 . 2 . ]" 1
120 1 5 G H1' 1 7 G H3' 4.200 3.200 5.200 4.658 3.676 5.259 0.059 14 0 "[ . 1 . 2 . ]" 1
121 1 5 G H2' 1 5 G H8 4.200 3.000 5.000 3.087 2.842 3.419 0.158 11 0 "[ . 1 . 2 . ]" 1
122 1 5 G H2' 1 6 U H5 4.200 3.200 5.200 5.287 5.151 5.384 0.184 21 0 "[ . 1 . 2 . ]" 1
123 1 5 G H2' 1 6 U H6 4.200 3.200 5.200 4.484 4.214 4.807 . 0 0 "[ . 1 . 2 . ]" 1
124 1 5 G H2' 1 7 G H1' 4.000 2.800 6.000 5.914 5.526 6.145 0.145 9 0 "[ . 1 . 2 . ]" 1
125 1 5 G H2' 1 7 G H8 2.500 . 3.200 2.447 2.103 2.848 . 0 0 "[ . 1 . 2 . ]" 1
126 1 5 G H21 1 16 C H41 4.200 3.400 5.000 5.093 5.044 5.173 0.173 13 0 "[ . 1 . 2 . ]" 1
127 1 5 G H21 1 17 C O2 2.080 . 2.580 1.920 1.544 2.605 0.036 21 0 "[ . 1 . 2 . ]" 1
128 1 5 G H3' 1 5 G H5' 3.500 . 5.200 3.473 2.903 3.774 . 0 0 "[ . 1 . 2 . ]" 1
129 1 5 G H3' 1 5 G H8 2.500 . 3.200 2.309 1.782 3.234 0.034 11 0 "[ . 1 . 2 . ]" 1
130 1 5 G H4' 1 5 G H5' 3.500 . 4.700 2.629 2.253 2.971 . 0 0 "[ . 1 . 2 . ]" 1
131 1 5 G H5' 1 6 U H2' 3.500 . 5.200 5.301 5.050 5.448 0.248 21 0 "[ . 1 . 2 . ]" 1
132 1 5 G H5' 1 7 G H8 4.000 2.800 6.000 6.053 5.679 6.243 0.243 6 0 "[ . 1 . 2 . ]" 1
133 1 5 G N1 1 17 C N3 2.910 2.410 3.410 2.726 2.562 3.031 . 0 0 "[ . 1 . 2 . ]" 1
134 1 5 G N2 1 17 C O2 3.080 2.580 3.580 2.913 2.555 3.591 0.025 21 0 "[ . 1 . 2 . ]" 1
135 1 5 G O6 1 17 C H41 1.710 . 2.210 1.636 1.596 1.698 . 0 0 "[ . 1 . 2 . ]" 1
136 1 5 G O6 1 17 C N4 2.710 2.210 3.210 2.482 2.348 2.643 . 0 0 "[ . 1 . 2 . ]" 1
137 1 6 U H1' 1 6 U H4' 3.200 2.200 4.200 3.233 2.670 3.914 . 0 0 "[ . 1 . 2 . ]" 1
138 1 6 U H1' 1 6 U H5 4.200 3.200 5.200 5.366 5.253 5.385 0.185 11 0 "[ . 1 . 2 . ]" 1
139 1 6 U H1' 1 6 U H6 4.200 3.200 5.200 3.682 3.524 3.703 . 0 0 "[ . 1 . 2 . ]" 1
140 1 6 U H2' 1 6 U H5 4.200 3.200 5.200 4.192 4.083 5.313 0.113 13 0 "[ . 1 . 2 . ]" 1
141 1 6 U H2' 1 6 U H6 3.200 2.200 4.200 2.152 1.984 3.784 0.216 10 0 "[ . 1 . 2 . ]" 1
142 1 6 U H2' 1 7 G H4' 3.200 2.200 4.200 4.345 4.127 4.705 0.505 13 1 "[ . 1 + . 2 . ]" 1
143 1 6 U H2' 1 7 G H8 4.200 3.200 5.200 3.968 3.369 4.732 . 0 0 "[ . 1 . 2 . ]" 1
144 1 6 U H3' 1 6 U H6 2.500 . 3.200 3.069 2.446 3.326 0.126 19 0 "[ . 1 . 2 . ]" 1
145 1 6 U H3' 1 7 G H2' 4.200 3.200 5.200 5.379 5.233 5.492 0.292 18 0 "[ . 1 . 2 . ]" 1
146 1 6 U H4' 1 6 U H6 4.200 3.200 5.200 4.445 3.812 4.864 . 0 0 "[ . 1 . 2 . ]" 1
147 1 7 G H1 1 8 C H1' 3.500 . 5.200 5.280 5.079 5.435 0.235 2 0 "[ . 1 . 2 . ]" 1
148 1 7 G H1 1 8 C H41 3.500 . 5.200 3.569 3.290 3.718 . 0 0 "[ . 1 . 2 . ]" 1
149 1 7 G H1 1 8 C H42 3.200 2.200 4.200 4.243 3.797 4.381 0.181 18 0 "[ . 1 . 2 . ]" 1
150 1 7 G H1 1 15 G H1 3.500 . 5.200 3.471 3.119 3.868 . 0 0 "[ . 1 . 2 . ]" 1
151 1 7 G H1 1 16 C H41 3.300 2.500 4.100 2.459 2.385 2.788 0.115 13 0 "[ . 1 . 2 . ]" 1
152 1 7 G H1 1 16 C H42 4.200 3.400 5.000 4.040 3.871 4.349 . 0 0 "[ . 1 . 2 . ]" 1
153 1 7 G H1 1 16 C N3 1.890 . 2.390 2.151 1.725 2.384 . 0 0 "[ . 1 . 2 . ]" 1
154 1 7 G H1 1 17 C H1' 4.200 3.400 5.000 4.744 3.975 5.088 0.088 6 0 "[ . 1 . 2 . ]" 1
155 1 7 G H1 1 17 C H41 4.200 3.400 5.000 4.204 3.811 4.442 . 0 0 "[ . 1 . 2 . ]" 1
156 1 7 G H1 1 17 C H42 4.000 2.800 5.000 5.044 4.756 5.100 0.100 18 0 "[ . 1 . 2 . ]" 1
157 1 7 G H1' 1 7 G H4' 3.200 2.200 4.200 3.313 3.087 3.616 . 0 0 "[ . 1 . 2 . ]" 1
158 1 7 G H1' 1 7 G H8 4.200 3.400 5.000 3.728 3.583 3.889 . 0 0 "[ . 1 . 2 . ]" 1
159 1 7 G H1' 1 8 C H5 4.200 3.400 5.000 5.086 5.014 5.241 0.241 22 0 "[ . 1 . 2 . ]" 1
160 1 7 G H1' 1 8 C H6 4.200 3.400 5.000 4.262 3.927 4.517 . 0 0 "[ . 1 . 2 . ]" 1
161 1 7 G H2' 1 7 G H5' 3.500 . 5.200 4.503 4.313 4.730 . 0 0 "[ . 1 . 2 . ]" 1
162 1 7 G H2' 1 7 G H8 4.200 3.400 5.000 3.792 3.326 4.199 0.074 9 0 "[ . 1 . 2 . ]" 1
163 1 7 G H2' 1 8 C H1' 4.200 3.400 5.000 4.005 3.392 4.479 0.008 22 0 "[ . 1 . 2 . ]" 1
164 1 7 G H2' 1 8 C H2' 4.200 3.400 5.000 5.067 4.795 5.183 0.183 13 0 "[ . 1 . 2 . ]" 1
165 1 7 G H2' 1 8 C H5 4.200 3.400 5.000 3.501 3.251 3.884 0.149 13 0 "[ . 1 . 2 . ]" 1
166 1 7 G H2' 1 8 C H6 2.500 . 3.200 1.795 1.740 1.875 0.060 23 0 "[ . 1 . 2 . ]" 1
167 1 7 G H21 1 16 C O2 2.080 . 2.580 2.392 1.579 2.629 0.049 22 0 "[ . 1 . 2 . ]" 1
168 1 7 G H3' 1 7 G H5' 3.500 . 5.200 2.347 2.202 2.736 . 0 0 "[ . 1 . 2 . ]" 1
169 1 7 G H3' 1 7 G H8 2.500 . 3.200 2.913 1.989 3.431 0.231 22 0 "[ . 1 . 2 . ]" 1
170 1 7 G H3' 1 8 C H5 4.200 3.400 5.000 3.910 3.322 4.556 0.078 3 0 "[ . 1 . 2 . ]" 1
171 1 7 G H3' 1 8 C H6 3.200 2.200 4.200 3.204 2.583 3.762 . 0 0 "[ . 1 . 2 . ]" 1
172 1 7 G H4' 1 7 G H5' 3.000 . 4.200 2.886 2.633 3.006 . 0 0 "[ . 1 . 2 . ]" 1
173 1 7 G H4' 1 7 G H8 4.200 3.400 5.000 4.364 4.061 4.563 . 0 0 "[ . 1 . 2 . ]" 1
174 1 7 G N1 1 16 C N3 2.910 2.410 3.410 3.149 2.718 3.386 . 0 0 "[ . 1 . 2 . ]" 1
175 1 7 G N2 1 16 C O2 3.080 2.580 3.580 3.399 2.589 3.629 0.049 22 0 "[ . 1 . 2 . ]" 1
176 1 7 G O6 1 16 C H41 1.710 . 2.210 1.808 1.675 2.215 0.005 20 0 "[ . 1 . 2 . ]" 1
177 1 7 G O6 1 16 C N4 2.710 2.210 3.210 2.771 2.588 3.185 . 0 0 "[ . 1 . 2 . ]" 1
178 1 8 C H1' 1 8 C H6 3.200 2.200 4.200 3.529 3.404 3.578 . 0 0 "[ . 1 . 2 . ]" 1
179 1 8 C H1' 1 9 U H6 4.200 3.200 5.200 5.345 5.082 5.435 0.235 26 0 "[ . 1 . 2 . ]" 1
180 1 8 C H2' 1 8 C H6 4.200 3.400 5.000 3.754 3.610 4.069 . 0 0 "[ . 1 . 2 . ]" 1
181 1 8 C H2' 1 9 U H2' 3.500 2.500 4.500 4.104 3.923 4.542 0.042 3 0 "[ . 1 . 2 . ]" 1
182 1 8 C H2' 1 9 U H3' 3.500 . 5.200 4.381 4.212 4.626 . 0 0 "[ . 1 . 2 . ]" 1
183 1 8 C H2' 1 9 U H5 4.200 3.200 5.200 4.921 4.448 5.447 0.247 22 0 "[ . 1 . 2 . ]" 1
184 1 8 C H2' 1 9 U H6 2.800 . 3.800 2.913 2.643 3.686 . 0 0 "[ . 1 . 2 . ]" 1
185 1 8 C H3' 1 8 C H6 2.500 . 3.200 3.166 2.941 3.330 0.130 22 0 "[ . 1 . 2 . ]" 1
186 1 8 C H3' 1 9 U H2' 4.200 3.200 5.200 5.429 5.265 5.529 0.329 9 0 "[ . 1 . 2 . ]" 1
187 1 8 C H3' 1 9 U H5 3.600 2.600 4.600 4.351 3.849 4.658 0.058 28 0 "[ . 1 . 2 . ]" 1
188 1 8 C H3' 1 9 U H6 4.200 3.400 5.000 3.234 3.112 3.999 0.288 1 0 "[ . 1 . 2 . ]" 1
189 1 8 C H4' 1 8 C H6 4.200 3.200 5.200 4.216 3.646 4.307 . 0 0 "[ . 1 . 2 . ]" 1
190 1 8 C H41 1 9 U H1' 4.200 3.400 5.000 4.218 3.818 4.807 . 0 0 "[ . 1 . 2 . ]" 1
191 1 8 C H41 1 15 G H1 3.200 2.200 4.200 2.839 2.674 2.983 . 0 0 "[ . 1 . 2 . ]" 1
192 1 8 C H41 1 15 G H21 4.200 3.400 5.000 4.971 4.804 5.037 0.037 6 0 "[ . 1 . 2 . ]" 1
193 1 8 C H41 1 15 G O6 1.710 . 2.210 1.773 1.634 2.157 . 0 0 "[ . 1 . 2 . ]" 1
194 1 8 C H42 1 9 U H1' 4.200 3.200 5.200 5.166 4.636 5.424 0.224 22 0 "[ . 1 . 2 . ]" 1
195 1 8 C H42 1 15 G H1 4.200 3.400 5.000 4.328 4.113 4.572 . 0 0 "[ . 1 . 2 . ]" 1
196 1 8 C H5 1 9 U H6 4.400 3.600 14.400 4.767 3.524 5.584 0.076 28 0 "[ . 1 . 2 . ]" 1
197 1 8 C H6 1 9 U H2' 4.200 3.400 5.400 6.709 6.558 7.204 1.804 22 28 [*********************+**-***] 1
198 1 8 C H6 1 9 U H5 4.400 3.600 14.400 4.454 3.887 5.026 . 0 0 "[ . 1 . 2 . ]" 1
199 1 8 C H6 1 9 U H6 4.200 3.200 5.200 4.267 3.808 4.748 . 0 0 "[ . 1 . 2 . ]" 1
200 1 8 C N3 1 15 G H1 1.890 . 2.390 1.993 1.724 2.395 0.005 12 0 "[ . 1 . 2 . ]" 1
201 1 8 C N3 1 15 G N1 2.910 2.410 3.410 2.970 2.726 3.381 . 0 0 "[ . 1 . 2 . ]" 1
202 1 8 C N4 1 15 G O6 2.710 2.210 3.210 2.767 2.618 3.164 . 0 0 "[ . 1 . 2 . ]" 1
203 1 8 C O2 1 15 G H21 2.080 . 2.580 2.047 1.557 2.602 0.023 19 0 "[ . 1 . 2 . ]" 1
204 1 8 C O2 1 15 G N2 3.080 2.580 3.580 3.049 2.568 3.599 0.019 28 0 "[ . 1 . 2 . ]" 1
205 1 9 U H1' 1 9 U H4' 3.600 2.600 4.600 3.513 3.446 3.678 . 0 0 "[ . 1 . 2 . ]" 1
206 1 9 U H1' 1 9 U H6 3.600 2.600 4.600 3.523 2.250 3.668 0.350 28 0 "[ . 1 . 2 . ]" 1
207 1 9 U H1' 1 15 G H1 3.600 2.600 4.600 2.735 2.511 3.701 0.089 13 0 "[ . 1 . 2 . ]" 1
208 1 9 U H2' 1 9 U H5 4.200 3.200 5.200 4.747 4.539 5.280 0.080 22 0 "[ . 1 . 2 . ]" 1
209 1 9 U H2' 1 9 U H5' 3.500 . 5.200 2.933 2.258 4.870 . 0 0 "[ . 1 . 2 . ]" 1
210 1 9 U H2' 1 9 U H6 3.600 2.600 4.600 2.876 2.566 3.571 0.034 14 0 "[ . 1 . 2 . ]" 1
211 1 9 U H2' 1 10 G H2' 3.200 2.200 4.200 2.828 2.198 4.268 0.068 22 0 "[ . 1 . 2 . ]" 1
212 1 9 U H2' 1 10 G H4' 3.500 . 5.200 5.210 4.863 5.364 0.164 22 0 "[ . 1 . 2 . ]" 1
213 1 9 U H2' 1 10 G H8 3.600 2.600 4.600 3.281 2.590 3.948 0.010 28 0 "[ . 1 . 2 . ]" 1
214 1 9 U H2' 1 14 U H5 4.600 3.800 5.400 4.832 3.728 5.429 0.072 22 0 "[ . 1 . 2 . ]" 1
215 1 9 U H3' 1 9 U H6 3.600 2.600 4.600 4.616 4.405 5.103 0.503 28 1 "[ . 1 . 2 . +]" 1
216 1 9 U H3' 1 10 G H2' 3.500 2.500 4.500 2.426 2.297 3.100 0.203 13 0 "[ . 1 . 2 . ]" 1
217 1 9 U H3' 1 10 G H4' 3.500 . 5.200 3.817 3.439 5.017 . 0 0 "[ . 1 . 2 . ]" 1
218 1 9 U H3' 1 10 G H5' 2.800 . 3.800 3.046 2.326 3.909 0.109 22 0 "[ . 1 . 2 . ]" 1
219 1 9 U H3' 1 10 G H8 3.600 2.600 4.600 4.241 3.394 4.640 0.040 7 0 "[ . 1 . 2 . ]" 1
220 1 9 U H4' 1 10 G H2' 3.200 2.200 4.200 4.249 3.433 4.368 0.168 1 0 "[ . 1 . 2 . ]" 1
221 1 9 U H4' 1 10 G H5' 4.200 3.400 5.000 4.885 4.318 5.195 0.195 27 0 "[ . 1 . 2 . ]" 1
222 1 9 U H5' 1 10 G H1' 3.500 . 5.200 5.060 4.369 5.377 0.177 22 0 "[ . 1 . 2 . ]" 1
223 1 10 G H1' 1 10 G Q2 3.500 . 5.200 5.180 4.952 5.369 0.169 15 0 "[ . 1 . 2 . ]" 1
224 1 10 G H1' 1 11 A H1' 3.500 . 5.200 4.315 4.154 4.431 . 0 0 "[ . 1 . 2 . ]" 1
225 1 10 G H1' 1 11 A H2' 3.500 . 5.200 5.487 5.383 5.542 0.342 9 0 "[ . 1 . 2 . ]" 1
226 1 10 G H1' 1 11 A H3' 3.500 . 5.200 4.758 4.625 4.942 . 0 0 "[ . 1 . 2 . ]" 1
227 1 10 G H1' 1 11 A H8 4.400 3.600 14.400 3.905 3.592 4.199 0.008 23 0 "[ . 1 . 2 . ]" 1
228 1 10 G H2' 1 10 G H5' 4.200 3.400 5.000 4.423 3.978 4.737 . 0 0 "[ . 1 . 2 . ]" 1
229 1 10 G H3' 1 11 A H1' 3.500 2.500 4.500 4.548 4.409 4.657 0.157 26 0 "[ . 1 . 2 . ]" 1
230 1 10 G H3' 1 12 G H4' 3.600 . 5.300 4.596 4.188 4.902 . 0 0 "[ . 1 . 2 . ]" 1
231 1 10 G H4' 1 10 G H5' 2.800 . 3.800 2.598 2.221 2.859 . 0 0 "[ . 1 . 2 . ]" 1
232 1 10 G H4' 1 10 G H5'' 2.800 . 3.800 2.436 2.180 2.999 . 0 0 "[ . 1 . 2 . ]" 1
233 1 10 G H4' 1 11 A H1' 3.500 2.200 4.500 2.099 2.028 2.145 0.172 2 0 "[ . 1 . 2 . ]" 1
234 1 10 G H4' 1 11 A H3' 4.200 3.200 5.200 4.296 4.176 4.463 . 0 0 "[ . 1 . 2 . ]" 1
235 1 10 G H4' 1 11 A H4' 4.200 3.200 5.200 4.591 4.392 4.777 . 0 0 "[ . 1 . 2 . ]" 1
236 1 10 G H4' 1 11 A H5' 4.000 2.800 5.200 5.385 5.242 5.515 0.315 17 0 "[ . 1 . 2 . ]" 1
237 1 10 G H4' 1 11 A H5'' 4.000 2.800 5.200 4.016 3.859 4.286 . 0 0 "[ . 1 . 2 . ]" 1
238 1 10 G H4' 1 11 A H8 4.200 3.200 5.200 3.122 3.034 3.386 0.166 9 0 "[ . 1 . 2 . ]" 1
239 1 10 G H4' 1 12 G H2' 3.500 . 5.200 4.493 4.027 5.203 0.003 2 0 "[ . 1 . 2 . ]" 1
240 1 10 G H4' 1 13 A H1' 3.800 2.100 5.800 6.070 5.783 6.251 0.451 24 0 "[ . 1 . 2 . ]" 1
241 1 10 G H4' 1 13 A H2' 3.200 2.200 4.200 3.844 2.965 4.380 0.180 7 0 "[ . 1 . 2 . ]" 1
242 1 10 G H5' 1 11 A H1' 4.200 3.200 5.200 3.654 3.077 4.239 0.123 12 0 "[ . 1 . 2 . ]" 1
243 1 10 G H5' 1 13 A H2' 3.500 . 5.200 4.768 3.346 5.305 0.105 22 0 "[ . 1 . 2 . ]" 1
244 1 10 G H5'' 1 13 A H2' 3.500 . 5.200 5.032 3.851 5.589 0.389 19 0 "[ . 1 . 2 . ]" 1
245 1 10 G H8 1 11 A Q6 3.500 . 5.200 4.340 3.476 4.885 . 0 0 "[ . 1 . 2 . ]" 1
246 1 10 G H8 1 13 A H1' 4.200 3.200 5.200 5.173 4.834 5.286 0.086 22 0 "[ . 1 . 2 . ]" 1
247 1 10 G H8 1 13 A H2' 4.200 3.200 5.200 4.172 3.106 4.811 0.094 2 0 "[ . 1 . 2 . ]" 1
248 1 10 G H8 1 14 U H5 3.500 . 5.200 3.515 2.300 4.995 . 0 0 "[ . 1 . 2 . ]" 1
249 1 11 A H1' 1 11 A H8 2.400 . 2.900 2.613 2.554 2.659 . 0 0 "[ . 1 . 2 . ]" 1
250 1 11 A H1' 1 12 G H2' 2.800 . 3.800 3.222 2.752 3.966 0.166 26 0 "[ . 1 . 2 . ]" 1
251 1 11 A H1' 1 12 G H4' 4.000 2.800 5.200 5.222 4.685 5.479 0.279 14 0 "[ . 1 . 2 . ]" 1
252 1 11 A H1' 1 12 G H5' 3.800 2.800 4.800 4.288 3.732 4.935 0.135 2 0 "[ . 1 . 2 . ]" 1
253 1 11 A H1' 1 12 G H8 2.800 . 3.800 3.126 2.495 3.615 . 0 0 "[ . 1 . 2 . ]" 1
254 1 11 A H2 1 11 A H3' 3.500 2.700 4.300 3.912 3.673 4.214 . 0 0 "[ . 1 . 2 . ]" 1
255 1 11 A H2 1 11 A H5' 3.500 2.500 4.500 3.564 3.326 3.912 . 0 0 "[ . 1 . 2 . ]" 1
256 1 11 A H2' 1 11 A H8 2.800 . 3.800 2.984 2.621 3.286 . 0 0 "[ . 1 . 2 . ]" 1
257 1 11 A H2' 1 12 G H3' 4.200 3.200 5.000 3.154 2.908 3.886 0.292 19 0 "[ . 1 . 2 . ]" 1
258 1 11 A H2' 1 12 G H4' 3.600 . 5.300 4.226 4.059 4.494 . 0 0 "[ . 1 . 2 . ]" 1
259 1 11 A H2' 1 12 G H8 3.500 . 5.200 2.585 1.832 3.154 . 0 0 "[ . 1 . 2 . ]" 1
260 1 11 A H3' 1 11 A H5' 3.500 2.800 4.200 2.906 2.822 3.052 . 0 0 "[ . 1 . 2 . ]" 1
261 1 11 A H3' 1 11 A H5'' 2.500 . 3.200 2.485 2.375 2.568 . 0 0 "[ . 1 . 2 . ]" 1
262 1 11 A H3' 1 11 A H8 3.200 2.200 4.200 4.215 3.990 4.310 0.110 26 0 "[ . 1 . 2 . ]" 1
263 1 11 A H3' 1 12 G H4' 3.600 . 5.300 4.603 4.193 4.910 . 0 0 "[ . 1 . 2 . ]" 1
264 1 11 A H3' 1 12 G H5' 3.500 2.500 4.500 2.744 2.192 3.010 0.308 18 0 "[ . 1 . 2 . ]" 1
265 1 11 A H4' 1 12 G H5' 4.200 3.400 5.000 4.580 4.429 5.207 0.207 2 0 "[ . 1 . 2 . ]" 1
266 1 11 A H5' 1 12 G H5' 4.200 3.200 5.200 5.294 4.882 5.416 0.216 17 0 "[ . 1 . 2 . ]" 1
267 1 11 A H5'' 1 12 G H5' 4.200 3.200 5.200 5.154 4.042 5.338 0.138 23 0 "[ . 1 . 2 . ]" 1
268 1 11 A Q6 1 12 G H2' 3.500 . 5.200 5.318 5.164 5.527 0.327 15 0 "[ . 1 . 2 . ]" 1
269 1 11 A Q6 1 12 G H3' 3.500 . 5.200 3.960 3.453 4.305 . 0 0 "[ . 1 . 2 . ]" 1
270 1 11 A H62 1 11 A H8 4.200 3.200 5.200 4.762 4.621 4.851 . 0 0 "[ . 1 . 2 . ]" 1
271 1 11 A H8 1 12 G H1' 4.200 3.200 5.200 4.389 3.925 5.229 0.029 2 0 "[ . 1 . 2 . ]" 1
272 1 11 A H8 1 12 G H2' 2.800 . 3.800 2.009 1.780 2.243 0.020 1 0 "[ . 1 . 2 . ]" 1
273 1 11 A H8 1 12 G H3' 4.400 3.600 14.400 3.340 3.281 3.405 0.319 26 0 "[ . 1 . 2 . ]" 1
274 1 11 A H8 1 12 G H4' 4.200 3.200 5.200 5.451 5.380 5.512 0.312 7 0 "[ . 1 . 2 . ]" 1
275 1 11 A H8 1 12 G H5' 4.200 3.200 5.200 4.134 3.147 4.575 0.053 26 0 "[ . 1 . 2 . ]" 1
276 1 11 A H8 1 12 G H8 4.200 3.200 5.200 3.025 2.914 3.174 0.286 28 0 "[ . 1 . 2 . ]" 1
277 1 11 A H8 1 13 A H1' 4.200 3.200 5.200 4.136 3.669 4.528 . 0 0 "[ . 1 . 2 . ]" 1
278 1 12 G H1' 1 12 G H8 3.200 2.200 4.200 3.313 3.059 3.805 . 0 0 "[ . 1 . 2 . ]" 1
279 1 12 G H1' 1 13 A H2 3.600 . 5.300 5.139 2.952 5.610 0.310 19 0 "[ . 1 . 2 . ]" 1
280 1 12 G H2' 1 12 G H8 2.800 . 3.800 2.260 1.951 2.541 . 0 0 "[ . 1 . 2 . ]" 1
281 1 12 G H2' 1 13 A H2' 4.200 3.200 5.000 3.226 2.942 3.979 0.258 7 0 "[ . 1 . 2 . ]" 1
282 1 12 G H2' 1 13 A H5' 4.200 3.400 5.000 4.862 3.744 5.202 0.202 10 0 "[ . 1 . 2 . ]" 1
283 1 12 G H3' 1 12 G H8 3.500 2.500 4.500 4.628 4.096 4.866 0.366 10 0 "[ . 1 . 2 . ]" 1
284 1 12 G H3' 1 13 A H2' 4.200 3.400 5.400 4.196 3.639 4.813 . 0 0 "[ . 1 . 2 . ]" 1
285 1 12 G H3' 1 13 A H5' 4.200 3.400 5.000 4.511 3.004 5.195 0.396 15 0 "[ . 1 . 2 . ]" 1
286 1 12 G H4' 1 12 G H5' 2.800 . 3.800 2.956 2.400 3.031 . 0 0 "[ . 1 . 2 . ]" 1
287 1 12 G H4' 1 12 G H5'' 2.800 . 3.800 2.583 2.440 2.991 . 0 0 "[ . 1 . 2 . ]" 1
288 1 12 G H5' 1 12 G H8 3.500 2.500 4.500 3.633 2.821 4.571 0.071 2 0 "[ . 1 . 2 . ]" 1
289 1 12 G H8 1 13 A H1' 4.200 3.200 5.200 5.281 5.146 5.376 0.176 26 0 "[ . 1 . 2 . ]" 1
290 1 12 G H8 1 13 A H2' 4.400 3.600 14.400 3.955 3.496 4.681 0.104 25 0 "[ . 1 . 2 . ]" 1
291 1 13 A H1' 1 13 A H8 4.400 3.600 14.400 3.547 3.385 3.849 0.215 1 0 "[ . 1 . 2 . ]" 1
292 1 13 A H2 1 14 U H1' 4.200 3.200 5.200 5.302 5.005 5.488 0.288 19 0 "[ . 1 . 2 . ]" 1
293 1 13 A H2' 1 13 A H8 4.200 3.400 5.000 3.843 3.067 4.361 0.333 26 0 "[ . 1 . 2 . ]" 1
294 1 13 A H3' 1 14 U H5 4.200 3.200 5.200 4.637 4.112 5.299 0.099 27 0 "[ . 1 . 2 . ]" 1
295 1 13 A H4' 1 14 U H1' 4.200 3.200 5.200 5.272 4.603 5.411 0.211 27 0 "[ . 1 . 2 . ]" 1
296 1 13 A H4' 1 14 U H5 4.200 3.200 5.200 5.330 5.148 5.488 0.288 26 0 "[ . 1 . 2 . ]" 1
297 1 13 A H4' 1 14 U H6 4.200 3.200 5.200 4.142 3.730 4.537 . 0 0 "[ . 1 . 2 . ]" 1
298 1 13 A H8 1 14 U H1' 3.600 2.600 4.600 4.494 3.864 4.686 0.086 3 0 "[ . 1 . 2 . ]" 1
299 1 14 U H1' 1 14 U H6 4.200 3.200 5.200 3.653 3.552 3.711 . 0 0 "[ . 1 . 2 . ]" 1
300 1 14 U H1' 1 15 G H1' 4.200 3.200 5.000 3.801 3.578 3.941 . 0 0 "[ . 1 . 2 . ]" 1
301 1 14 U H1' 1 15 G H2' 5.000 4.000 6.000 6.257 6.155 6.343 0.343 17 0 "[ . 1 . 2 . ]" 1
302 1 14 U H2' 1 15 G H1' 2.500 . 3.200 2.818 2.268 3.061 . 0 0 "[ . 1 . 2 . ]" 1
303 1 14 U H2' 1 15 G H3' 3.200 2.400 4.000 4.015 3.888 4.229 0.229 12 0 "[ . 1 . 2 . ]" 1
304 1 14 U H2' 1 15 G H4' 3.200 2.400 4.000 2.763 2.236 3.168 0.164 12 0 "[ . 1 . 2 . ]" 1
305 1 14 U H2' 1 15 G H5' 2.500 . 3.200 2.886 2.527 3.231 0.031 27 0 "[ . 1 . 2 . ]" 1
306 1 14 U H2' 1 15 G H8 3.600 2.600 4.600 2.828 2.521 3.889 0.079 28 0 "[ . 1 . 2 . ]" 1
307 1 14 U H3' 1 14 U H5 3.600 2.600 4.600 4.159 3.919 4.465 . 0 0 "[ . 1 . 2 . ]" 1
308 1 14 U H3' 1 14 U H6 2.800 . 3.800 2.183 1.850 2.682 . 0 0 "[ . 1 . 2 . ]" 1
309 1 14 U H3' 1 15 G H8 3.600 2.600 4.600 2.836 2.527 3.151 0.073 3 0 "[ . 1 . 2 . ]" 1
310 1 14 U H5 1 15 G H1' 4.200 3.200 5.200 4.557 3.294 5.416 0.216 26 0 "[ . 1 . 2 . ]" 1
311 1 14 U H6 1 15 G H8 4.200 3.400 5.000 4.348 3.637 5.009 0.009 19 0 "[ . 1 . 2 . ]" 1
312 1 15 G H1 1 16 C H1' 3.500 . 5.200 4.865 4.137 5.242 0.042 15 0 "[ . 1 . 2 . ]" 1
313 1 15 G H1 1 16 C H5 3.500 . 5.200 5.255 5.180 5.303 0.103 3 0 "[ . 1 . 2 . ]" 1
314 1 15 G H1' 1 15 G H8 3.200 2.200 4.200 3.729 3.694 3.780 . 0 0 "[ . 1 . 2 . ]" 1
315 1 15 G H1' 1 16 C H6 4.200 3.400 5.000 4.648 4.533 4.746 . 0 0 "[ . 1 . 2 . ]" 1
316 1 15 G H2' 1 15 G H8 4.200 3.400 5.000 4.017 3.886 4.133 . 0 0 "[ . 1 . 2 . ]" 1
317 1 15 G H2' 1 16 C H1' 4.200 3.200 5.000 3.112 3.024 3.235 0.176 19 0 "[ . 1 . 2 . ]" 1
318 1 15 G H2' 1 16 C H4' 2.800 . 3.800 3.289 2.596 3.770 . 0 0 "[ . 1 . 2 . ]" 1
319 1 15 G H2' 1 16 C H6 2.500 . 3.200 2.580 2.339 2.848 . 0 0 "[ . 1 . 2 . ]" 1
320 1 15 G H3' 1 15 G H5' 2.800 . 3.800 3.671 3.649 3.737 . 0 0 "[ . 1 . 2 . ]" 1
321 1 15 G H3' 1 15 G H8 2.500 . 3.200 2.897 2.596 3.059 . 0 0 "[ . 1 . 2 . ]" 1
322 1 15 G H3' 1 16 C H1' 4.200 3.400 5.000 5.087 5.005 5.179 0.179 15 0 "[ . 1 . 2 . ]" 1
323 1 15 G H3' 1 16 C H5 4.200 3.400 5.000 4.103 3.390 4.338 0.010 3 0 "[ . 1 . 2 . ]" 1
324 1 15 G H3' 1 16 C H6 3.200 2.200 4.200 2.590 2.300 2.695 . 0 0 "[ . 1 . 2 . ]" 1
325 1 15 G H4' 1 15 G H8 4.200 3.200 5.000 3.949 3.848 4.238 . 0 0 "[ . 1 . 2 . ]" 1
326 1 15 G H4' 1 16 C H6 4.000 2.800 5.200 5.375 5.136 5.458 0.258 22 0 "[ . 1 . 2 . ]" 1
327 1 15 G H5' 1 15 G H8 4.200 3.400 5.000 3.494 3.382 4.088 0.018 22 0 "[ . 1 . 2 . ]" 1
328 1 15 G H8 1 16 C H5 4.200 3.200 5.000 3.683 3.410 4.021 . 0 0 "[ . 1 . 2 . ]" 1
329 1 15 G H8 1 16 C H6 3.200 2.200 4.200 3.791 3.557 4.187 . 0 0 "[ . 1 . 2 . ]" 1
330 1 16 C H1' 1 16 C H6 3.200 2.200 4.200 3.433 3.396 3.469 . 0 0 "[ . 1 . 2 . ]" 1
331 1 16 C H2' 1 16 C H6 4.200 3.400 5.000 4.147 3.936 4.266 . 0 0 "[ . 1 . 2 . ]" 1
332 1 16 C H2' 1 17 C H1' 3.200 2.200 4.200 3.833 2.374 4.263 0.063 28 0 "[ . 1 . 2 . ]" 1
333 1 16 C H2' 1 17 C H6 2.500 . 3.200 3.194 2.893 3.319 0.119 26 0 "[ . 1 . 2 . ]" 1
334 1 16 C H3' 1 16 C H6 2.500 . 3.200 3.302 3.165 3.397 0.197 20 0 "[ . 1 . 2 . ]" 1
335 1 16 C H3' 1 17 C H5 4.200 3.400 5.000 3.823 3.308 4.899 0.092 28 0 "[ . 1 . 2 . ]" 1
336 1 16 C H3' 1 17 C H6 3.600 3.000 4.200 3.077 2.889 3.716 0.111 7 0 "[ . 1 . 2 . ]" 1
337 1 16 C H5 1 17 C H42 3.500 . 5.200 3.951 2.737 5.211 0.011 22 0 "[ . 1 . 2 . ]" 1
338 1 17 C H2' 1 17 C H6 4.200 3.400 5.000 3.643 3.372 3.915 0.028 13 0 "[ . 1 . 2 . ]" 1
339 1 17 C H2' 1 18 C H1' 3.200 2.200 4.200 2.559 2.263 2.944 . 0 0 "[ . 1 . 2 . ]" 1
340 1 17 C H2' 1 18 C H2' 4.200 3.400 5.200 4.814 4.500 5.202 0.002 3 0 "[ . 1 . 2 . ]" 1
341 1 17 C H2' 1 18 C H3' 4.200 3.400 5.000 4.587 3.840 5.016 0.016 25 0 "[ . 1 . 2 . ]" 1
342 1 17 C H2' 1 18 C H6 2.500 . 3.200 2.830 2.089 3.267 0.067 6 0 "[ . 1 . 2 . ]" 1
343 1 17 C H3' 1 17 C H5' 3.500 . 5.200 2.837 2.108 3.713 . 0 0 "[ . 1 . 2 . ]" 1
344 1 17 C H3' 1 17 C H6 2.500 . 3.200 2.647 2.009 3.255 0.055 14 0 "[ . 1 . 2 . ]" 1
345 1 17 C H3' 1 18 C H1' 4.200 3.400 5.000 4.340 3.740 4.907 . 0 0 "[ . 1 . 2 . ]" 1
346 1 17 C H3' 1 18 C H5 3.500 2.700 4.300 3.336 2.672 4.127 0.028 23 0 "[ . 1 . 2 . ]" 1
347 1 17 C H3' 1 18 C H6 2.500 . 3.300 2.085 1.772 2.481 . 0 0 "[ . 1 . 2 . ]" 1
348 1 17 C H4' 1 17 C H5' 3.000 . 4.200 2.656 2.226 2.879 . 0 0 "[ . 1 . 2 . ]" 1
349 1 17 C H6 1 18 C H1' 4.200 3.400 5.200 5.244 5.162 5.308 0.108 9 0 "[ . 1 . 2 . ]" 1
350 1 17 C H6 1 18 C H41 4.200 3.600 4.800 4.942 4.877 5.048 0.248 11 0 "[ . 1 . 2 . ]" 1
351 1 18 C H1' 1 19 G H8 4.200 3.400 5.000 4.746 4.489 5.017 0.017 12 0 "[ . 1 . 2 . ]" 1
352 1 18 C H2' 1 18 C H6 4.200 3.400 5.000 4.044 3.726 4.181 . 0 0 "[ . 1 . 2 . ]" 1
353 1 18 C H2' 1 19 G H1' 4.200 3.400 5.000 3.350 3.291 3.395 0.109 22 0 "[ . 1 . 2 . ]" 1
354 1 18 C H2' 1 19 G H8 2.500 . 3.200 2.528 2.144 2.871 . 0 0 "[ . 1 . 2 . ]" 1
355 1 18 C H3' 1 18 C H5 3.200 2.200 4.200 4.294 4.228 4.325 0.125 20 0 "[ . 1 . 2 . ]" 1
356 1 18 C H3' 1 18 C H6 2.500 . 3.200 2.722 2.436 2.897 . 0 0 "[ . 1 . 2 . ]" 1
357 1 18 C H3' 1 19 G H8 2.600 . 3.400 2.679 2.120 3.385 . 0 0 "[ . 1 . 2 . ]" 1
358 1 18 C H41 1 19 G H8 4.400 3.600 5.200 5.052 4.779 5.222 0.022 9 0 "[ . 1 . 2 . ]" 1
359 1 18 C H6 1 19 G H8 4.200 3.400 5.000 4.335 4.003 4.713 . 0 0 "[ . 1 . 2 . ]" 1
360 1 19 G H1 1 20 U H3 3.500 . 5.200 3.340 2.920 3.515 . 0 0 "[ . 1 . 2 . ]" 1
361 1 19 G H1' 1 19 G H4' 3.200 2.500 3.900 3.443 3.314 3.540 . 0 0 "[ . 1 . 2 . ]" 1
362 1 19 G H1' 1 19 G H8 3.200 2.200 4.200 3.503 3.444 3.555 . 0 0 "[ . 1 . 2 . ]" 1
363 1 19 G H1' 1 20 U H6 4.200 3.400 5.000 4.986 4.848 5.084 0.084 8 0 "[ . 1 . 2 . ]" 1
364 1 19 G H2' 1 19 G H8 4.200 3.400 5.000 4.412 4.339 4.490 . 0 0 "[ . 1 . 2 . ]" 1
365 1 19 G H2' 1 20 U H5 4.200 3.200 5.200 4.200 4.007 5.166 . 0 0 "[ . 1 . 2 . ]" 1
366 1 19 G H2' 1 20 U H6 2.500 . 3.200 2.397 2.179 3.099 . 0 0 "[ . 1 . 2 . ]" 1
367 1 19 G H3' 1 19 G H5' 3.500 . 5.200 3.727 3.669 3.763 . 0 0 "[ . 1 . 2 . ]" 1
368 1 19 G H3' 1 19 G H8 3.200 2.500 3.900 3.549 3.372 3.894 . 0 0 "[ . 1 . 2 . ]" 1
369 1 19 G H3' 1 20 U H1' 4.200 3.400 5.000 5.065 4.033 5.147 0.147 8 0 "[ . 1 . 2 . ]" 1
370 1 19 G H3' 1 20 U H5 4.200 3.400 5.000 3.435 3.358 4.448 0.042 14 0 "[ . 1 . 2 . ]" 1
371 1 19 G H3' 1 20 U H6 2.600 . 3.400 2.494 2.344 2.641 . 0 0 "[ . 1 . 2 . ]" 1
372 1 19 G H4' 1 19 G H8 4.200 3.200 5.200 4.460 4.395 4.553 . 0 0 "[ . 1 . 2 . ]" 1
373 1 19 G H4' 1 20 U H6 4.200 3.200 5.200 5.064 4.959 5.288 0.088 20 0 "[ . 1 . 2 . ]" 1
374 1 19 G H8 1 20 U H5 4.200 3.200 5.200 5.104 4.542 5.220 0.020 3 0 "[ . 1 . 2 . ]" 1
375 1 20 U H1' 1 20 U H4' 3.200 2.500 3.900 3.374 3.335 3.705 . 0 0 "[ . 1 . 2 . ]" 1
376 1 20 U H1' 1 20 U H6 3.200 2.200 4.200 3.373 3.354 3.401 . 0 0 "[ . 1 . 2 . ]" 1
377 1 20 U H2' 1 20 U H3 3.500 . 5.200 4.169 4.137 4.312 . 0 0 "[ . 1 . 2 . ]" 1
378 1 20 U H2' 1 20 U H5 4.200 3.200 5.200 5.445 5.424 5.460 0.260 20 0 "[ . 1 . 2 . ]" 1
379 1 20 U H2' 1 20 U H6 4.200 3.400 5.000 4.118 4.099 4.153 . 0 0 "[ . 1 . 2 . ]" 1
380 1 20 U H2' 1 21 C H1' 4.200 3.200 5.000 3.004 2.987 3.087 0.213 26 0 "[ . 1 . 2 . ]" 1
381 1 20 U H2' 1 21 C H3' 3.200 2.200 4.200 4.268 4.208 4.300 0.100 17 0 "[ . 1 . 2 . ]" 1
382 1 20 U H2' 1 21 C H5 4.200 3.400 5.000 4.029 3.970 4.191 . 0 0 "[ . 1 . 2 . ]" 1
383 1 20 U H2' 1 21 C H6 2.500 . 3.200 1.967 1.923 2.035 . 0 0 "[ . 1 . 2 . ]" 1
384 1 20 U H3 1 20 U H3' 3.500 . 5.200 5.335 5.251 5.363 0.163 26 0 "[ . 1 . 2 . ]" 1
385 1 20 U H3 1 21 C H41 3.500 . 5.200 4.244 4.182 4.400 . 0 0 "[ . 1 . 2 . ]" 1
386 1 20 U H3 1 21 C H42 3.500 . 5.200 4.429 4.367 4.582 . 0 0 "[ . 1 . 2 . ]" 1
387 1 20 U H3 1 21 C H6 3.500 . 5.200 4.055 3.948 4.099 . 0 0 "[ . 1 . 2 . ]" 1
388 1 20 U H3' 1 20 U H5 4.200 3.400 5.000 4.751 4.545 4.812 . 0 0 "[ . 1 . 2 . ]" 1
389 1 20 U H3' 1 20 U H6 2.500 . 3.200 3.235 3.218 3.274 0.074 8 0 "[ . 1 . 2 . ]" 1
390 1 20 U H3' 1 21 C H1' 4.200 3.400 5.000 5.148 5.103 5.168 0.168 24 0 "[ . 1 . 2 . ]" 1
391 1 20 U H3' 1 21 C H3' 4.000 2.800 5.200 5.197 5.150 5.218 0.018 1 0 "[ . 1 . 2 . ]" 1
392 1 20 U H3' 1 21 C H5 4.200 3.400 5.000 3.345 3.275 3.367 0.125 20 0 "[ . 1 . 2 . ]" 1
393 1 20 U H3' 1 21 C H5' 3.200 2.500 3.900 3.897 3.796 3.931 0.031 20 0 "[ . 1 . 2 . ]" 1
394 1 20 U H4' 1 20 U H6 4.000 2.800 5.200 4.123 3.819 4.166 . 0 0 "[ . 1 . 2 . ]" 1
395 1 20 U H5 1 21 C H41 3.500 . 5.200 5.293 5.261 5.340 0.140 20 0 "[ . 1 . 2 . ]" 1
396 1 21 C H1' 1 21 C H4' 3.200 2.500 3.900 3.296 3.260 3.368 . 0 0 "[ . 1 . 2 . ]" 1
397 1 21 C H1' 1 21 C H6 4.000 2.800 5.200 3.351 3.323 3.366 . 0 0 "[ . 1 . 2 . ]" 1
398 1 21 C H2' 1 21 C H6 4.200 3.400 5.000 4.233 4.209 4.273 . 0 0 "[ . 1 . 2 . ]" 1
399 1 21 C H3' 1 21 C H5' 3.500 . 5.200 3.764 3.750 3.779 . 0 0 "[ . 1 . 2 . ]" 1
400 1 21 C H3' 1 21 C H6 2.500 . 3.200 3.331 3.314 3.365 0.165 21 0 "[ . 1 . 2 . ]" 1
401 1 21 C H4' 1 21 C H5' 3.000 . 4.200 2.385 2.336 2.408 . 0 0 "[ . 1 . 2 . ]" 1
402 1 21 C H4' 1 21 C H6 4.000 2.800 5.200 4.217 4.171 4.236 . 0 0 "[ . 1 . 2 . ]" 1
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