NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
398599 |
1tob   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1tob
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 434
_Distance_constraint_stats_list.Viol_count 508
_Distance_constraint_stats_list.Viol_total 539.083
_Distance_constraint_stats_list.Viol_max 5.792
_Distance_constraint_stats_list.Viol_rms 0.2098
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0253
_Distance_constraint_stats_list.Viol_average_violations_only 0.1516
_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 0.000 0.000 . 0 "[ . ]"
1 2 G 0.131 0.027 4 0 "[ . ]"
1 3 C 0.304 0.039 2 0 "[ . ]"
1 4 A 1.498 0.069 2 0 "[ . ]"
1 5 C 2.223 0.092 5 0 "[ . ]"
1 6 G 0.459 0.040 5 0 "[ . ]"
1 7 A 0.277 0.040 5 0 "[ . ]"
1 8 G 4.300 1.655 1 3 "[+* -. ]"
1 9 G 10.164 3.953 4 5 "[ *+-**]"
1 10 U 0.607 0.035 7 0 "[ . ]"
1 11 U 0.703 0.037 3 0 "[ . ]"
1 12 U 12.590 0.926 3 6 "[*-+ ***]"
1 13 A 7.717 0.926 3 6 "[**+ -**]"
1 14 G 3.213 0.436 6 0 "[ . ]"
1 15 C 1.859 0.203 7 0 "[ . ]"
1 16 U 2.151 0.648 3 1 "[ + . ]"
1 17 A 0.906 0.087 6 0 "[ . ]"
1 18 C 4.845 2.071 5 2 "[ * + ]"
1 19 A 51.870 5.792 4 7 [***+***]
1 20 C 9.855 2.027 2 5 "[*+ -** ]"
1 21 U 10.075 2.448 7 4 "[* *.-+]"
1 22 C 0.091 0.025 4 0 "[ . ]"
1 23 G 1.308 0.091 2 0 "[ . ]"
1 24 U 0.971 0.091 2 0 "[ . ]"
1 25 G 0.201 0.027 4 0 "[ . ]"
1 26 C 0.019 0.007 5 0 "[ . ]"
1 27 C 0.000 0.000 . 0 "[ . ]"
2 1 TOA 15.696 5.792 4 5 "[ -*+.**]"
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 27 C N3 2.000 . 2.200 1.928 1.904 1.973 . 0 0 "[ . ]" 1
2 1 1 G H1' 1 1 G H2' 2.870 2.440 3.300 3.027 3.017 3.031 . 0 0 "[ . ]" 1
3 1 1 G H1' 1 1 G H3' 3.400 . 5.000 3.725 3.700 3.746 . 0 0 "[ . ]" 1
4 1 1 G H1' 1 1 G H4' 3.400 . 5.000 2.548 2.418 2.603 . 0 0 "[ . ]" 1
5 1 1 G H1' 1 1 G H5' 4.150 . 6.500 4.303 4.209 4.340 . 0 0 "[ . ]" 1
6 1 1 G H1' 1 1 G H5'' 4.150 . 6.500 4.827 4.716 4.876 . 0 0 "[ . ]" 1
7 1 1 G H1' 1 1 G H8 4.150 . 6.500 3.721 3.635 3.853 . 0 0 "[ . ]" 1
8 1 1 G H1' 1 2 G H8 3.400 . 5.000 4.711 4.575 4.804 . 0 0 "[ . ]" 1
9 1 1 G H2' 1 1 G H8 3.220 2.250 4.190 3.640 3.293 3.815 . 0 0 "[ . ]" 1
10 1 1 G H2' 1 2 G H8 3.400 . 5.000 2.838 2.451 3.424 . 0 0 "[ . ]" 1
11 1 1 G H21 1 27 C O2 2.000 . 2.200 1.844 1.800 1.920 . 0 0 "[ . ]" 1
12 1 1 G H3' 1 1 G H8 3.400 . 5.000 4.644 4.577 4.713 . 0 0 "[ . ]" 1
13 1 1 G H3' 1 2 G H8 4.150 . 6.500 4.684 4.303 5.205 . 0 0 "[ . ]" 1
14 1 1 G N1 1 27 C N3 2.950 2.750 3.150 2.910 2.883 2.948 . 0 0 "[ . ]" 1
15 1 1 G N2 1 27 C O2 2.910 2.740 3.080 2.837 2.797 2.908 . 0 0 "[ . ]" 1
16 1 1 G O6 1 27 C H41 2.000 . 2.200 1.820 1.802 1.844 . 0 0 "[ . ]" 1
17 1 1 G O6 1 27 C N4 2.910 2.740 3.080 2.811 2.796 2.831 . 0 0 "[ . ]" 1
18 1 2 G H1 1 25 G H1 4.920 3.690 6.150 3.674 3.663 3.686 0.027 4 0 "[ . ]" 1
19 1 2 G H1 1 26 C N3 2.000 . 2.200 1.920 1.863 1.990 . 0 0 "[ . ]" 1
20 1 2 G H1' 1 3 C H6 3.400 . 5.000 4.492 4.376 4.878 . 0 0 "[ . ]" 1
21 1 2 G H21 1 26 C O2 2.000 . 2.200 1.804 1.793 1.848 0.007 5 0 "[ . ]" 1
22 1 2 G N1 1 26 C N3 2.950 2.750 3.150 2.902 2.840 2.984 . 0 0 "[ . ]" 1
23 1 2 G N2 1 26 C O2 2.910 2.740 3.080 2.764 2.747 2.787 . 0 0 "[ . ]" 1
24 1 2 G O6 1 26 C H41 2.000 . 2.200 1.985 1.856 2.127 . 0 0 "[ . ]" 1
25 1 2 G O6 1 26 C N4 2.910 2.740 3.080 2.954 2.829 3.081 0.001 5 0 "[ . ]" 1
26 1 3 C H1' 1 3 C H6 3.400 . 5.000 3.711 3.703 3.726 . 0 0 "[ . ]" 1
27 1 3 C H1' 1 4 A H8 3.740 3.180 4.300 4.332 4.315 4.339 0.039 2 0 "[ . ]" 1
28 1 3 C H41 1 25 G H1 2.980 . 4.020 2.918 2.903 2.943 . 0 0 "[ . ]" 1
29 1 3 C H41 1 25 G O6 2.000 . 2.200 1.847 1.798 1.890 0.002 2 0 "[ . ]" 1
30 1 3 C H42 1 25 G H1 3.230 2.100 4.360 4.371 4.369 4.379 0.019 4 0 "[ . ]" 1
31 1 3 C H5 1 3 C H6 2.650 . 3.500 2.445 2.438 2.448 . 0 0 "[ . ]" 1
32 1 3 C H6 1 4 A H8 4.750 3.000 6.500 4.694 4.521 4.980 . 0 0 "[ . ]" 1
33 1 3 C N3 1 25 G H1 2.000 . 2.200 1.890 1.848 1.914 . 0 0 "[ . ]" 1
34 1 3 C N3 1 25 G N1 2.950 2.750 3.150 2.875 2.832 2.898 . 0 0 "[ . ]" 1
35 1 3 C N4 1 25 G O6 2.910 2.740 3.080 2.816 2.780 2.855 . 0 0 "[ . ]" 1
36 1 3 C O2 1 25 G H21 2.000 . 2.200 1.851 1.818 1.891 . 0 0 "[ . ]" 1
37 1 3 C O2 1 25 G N2 2.910 2.740 3.080 2.818 2.771 2.869 . 0 0 "[ . ]" 1
38 1 4 A H1' 1 4 A H2 3.710 2.230 5.190 4.576 4.476 4.613 . 0 0 "[ . ]" 1
39 1 4 A H1' 1 4 A H8 3.550 3.020 4.080 3.780 3.744 3.842 . 0 0 "[ . ]" 1
40 1 4 A H1' 1 5 C H1' 4.340 3.690 4.990 4.449 4.243 4.569 . 0 0 "[ . ]" 1
41 1 4 A H1' 1 5 C H5 4.500 3.830 5.170 5.218 5.201 5.232 0.062 3 0 "[ . ]" 1
42 1 4 A H1' 1 5 C H6 3.790 3.220 4.360 4.375 4.349 4.392 0.032 5 0 "[ . ]" 1
43 1 4 A H2 1 4 A H2' 4.150 . 6.500 5.087 4.964 5.428 . 0 0 "[ . ]" 1
44 1 4 A H2 1 5 C H1' 3.040 2.130 3.950 3.785 3.645 3.954 0.004 4 0 "[ . ]" 1
45 1 4 A H2 1 23 G H1 4.450 3.340 5.560 4.140 3.949 4.483 . 0 0 "[ . ]" 1
46 1 4 A H2 1 24 U H1' 4.570 3.200 5.940 5.657 5.369 5.932 . 0 0 "[ . ]" 1
47 1 4 A H2 1 24 U H3 2.930 2.200 3.660 2.662 2.498 2.888 . 0 0 "[ . ]" 1
48 1 4 A H2 1 25 G H1 4.930 3.700 6.160 4.198 4.022 4.333 . 0 0 "[ . ]" 1
49 1 4 A H2 1 25 G H1' 3.040 2.130 3.950 3.916 3.879 3.958 0.008 4 0 "[ . ]" 1
50 1 4 A H2' 1 4 A H8 2.650 . 3.500 3.554 3.535 3.569 0.069 2 0 "[ . ]" 1
51 1 4 A H2' 1 5 C H1' 2.650 . 3.500 3.558 3.546 3.569 0.069 6 0 "[ . ]" 1
52 1 4 A H2' 1 5 C H5 2.650 . 3.500 3.173 3.126 3.308 . 0 0 "[ . ]" 1
53 1 4 A H2' 1 5 C H6 2.650 . 3.500 1.968 1.928 1.990 . 0 0 "[ . ]" 1
54 1 4 A H61 1 24 U H3 3.300 2.150 4.450 2.783 2.642 2.847 . 0 0 "[ . ]" 1
55 1 4 A H61 1 24 U O4 2.000 . 2.200 1.820 1.789 1.865 0.011 4 0 "[ . ]" 1
56 1 4 A H62 1 23 G H1 4.020 2.610 5.430 4.202 4.008 4.464 . 0 0 "[ . ]" 1
57 1 4 A H62 1 24 U H3 3.310 2.150 4.470 4.274 4.158 4.360 . 0 0 "[ . ]" 1
58 1 4 A H62 1 25 G H1 3.790 2.460 5.120 3.817 3.560 4.100 . 0 0 "[ . ]" 1
59 1 4 A H8 1 5 C H5 3.940 3.350 4.530 3.630 3.447 3.775 . 0 0 "[ . ]" 1
60 1 4 A H8 1 5 C H6 4.630 3.940 5.320 4.767 4.531 4.878 . 0 0 "[ . ]" 1
61 1 4 A N1 1 24 U H3 2.000 . 2.200 1.975 1.894 2.090 . 0 0 "[ . ]" 1
62 1 4 A N1 1 24 U N3 2.950 2.750 3.150 2.963 2.873 3.074 . 0 0 "[ . ]" 1
63 1 4 A N6 1 24 U O4 2.910 2.740 3.080 2.813 2.787 2.869 . 0 0 "[ . ]" 1
64 1 5 C H1' 1 5 C H2' 2.650 . 3.500 2.637 2.602 2.659 . 0 0 "[ . ]" 1
65 1 5 C H1' 1 5 C H3' 2.650 . 3.500 3.534 3.523 3.542 0.042 6 0 "[ . ]" 1
66 1 5 C H1' 1 5 C H4' 2.650 . 3.500 3.462 3.445 3.479 . 0 0 "[ . ]" 1
67 1 5 C H1' 1 5 C H6 3.310 2.810 3.810 3.403 3.367 3.415 . 0 0 "[ . ]" 1
68 1 5 C H1' 1 6 G H1' 4.060 3.450 4.670 4.676 4.625 4.689 0.019 3 0 "[ . ]" 1
69 1 5 C H1' 1 6 G H8 3.400 . 5.000 4.652 4.243 5.034 0.034 5 0 "[ . ]" 1
70 1 5 C H2' 1 5 C H6 2.650 . 3.500 3.550 3.542 3.563 0.063 3 0 "[ . ]" 1
71 1 5 C H2' 1 6 G H8 2.650 . 3.500 2.391 1.891 3.335 . 0 0 "[ . ]" 1
72 1 5 C H3' 1 5 C H5 3.400 . 5.000 4.003 3.926 4.140 . 0 0 "[ . ]" 1
73 1 5 C H3' 1 5 C H6 2.650 . 3.500 2.114 2.061 2.174 . 0 0 "[ . ]" 1
74 1 5 C H3' 1 6 G H8 2.650 . 3.500 2.374 2.013 2.869 . 0 0 "[ . ]" 1
75 1 5 C H4' 1 5 C H6 2.650 . 3.500 3.583 3.577 3.592 0.092 5 0 "[ . ]" 1
76 1 5 C H41 1 23 G H1 2.700 . 3.650 2.869 2.754 2.969 . 0 0 "[ . ]" 1
77 1 5 C H41 1 23 G O6 2.000 . 2.200 1.881 1.825 2.012 . 0 0 "[ . ]" 1
78 1 5 C H41 1 24 U H3 3.890 2.530 5.250 4.922 4.558 5.199 . 0 0 "[ . ]" 1
79 1 5 C H42 1 23 G H1 3.240 2.110 4.370 4.338 4.268 4.379 0.009 4 0 "[ . ]" 1
80 1 5 C H5 1 5 C H6 2.400 2.040 2.760 2.502 2.475 2.541 . 0 0 "[ . ]" 1
81 1 5 C H5 1 23 G H1 4.460 3.350 5.570 5.222 5.141 5.281 . 0 0 "[ . ]" 1
82 1 5 C H6 1 6 G H8 4.750 3.000 6.500 3.796 3.140 4.560 . 0 0 "[ . ]" 1
83 1 5 C N3 1 23 G H1 2.000 . 2.200 1.935 1.840 2.022 . 0 0 "[ . ]" 1
84 1 5 C N3 1 23 G N1 2.950 2.750 3.150 2.924 2.823 3.021 . 0 0 "[ . ]" 1
85 1 5 C N4 1 23 G O6 2.910 2.740 3.080 2.867 2.808 2.988 . 0 0 "[ . ]" 1
86 1 5 C O2 1 23 G H21 2.000 . 2.200 1.864 1.791 2.045 0.009 5 0 "[ . ]" 1
87 1 5 C O2 1 23 G N2 2.910 2.740 3.080 2.860 2.778 3.051 . 0 0 "[ . ]" 1
88 1 6 G H1 1 6 G H21 3.040 . 4.100 2.243 2.221 2.276 . 0 0 "[ . ]" 1
89 1 6 G H1 1 6 G H22 2.960 . 4.000 3.515 3.495 3.532 . 0 0 "[ . ]" 1
90 1 6 G H1 1 7 A H2 4.310 3.230 5.390 3.872 3.451 4.625 . 0 0 "[ . ]" 1
91 1 6 G H1 1 21 U H3 5.390 4.040 6.500 4.404 4.070 4.757 . 0 0 "[ . ]" 1
92 1 6 G H1 1 22 C H41 3.060 . 4.130 2.944 2.853 3.074 . 0 0 "[ . ]" 1
93 1 6 G H1 1 22 C H42 3.340 2.170 4.510 4.398 4.314 4.516 0.006 6 0 "[ . ]" 1
94 1 6 G H1 1 22 C N3 2.000 . 2.200 1.909 1.869 1.965 . 0 0 "[ . ]" 1
95 1 6 G H1 1 23 G H1 5.260 3.950 6.500 4.230 3.913 5.090 0.037 2 0 "[ . ]" 1
96 1 6 G H1' 1 6 G H3' 2.650 . 3.500 3.513 3.439 3.535 0.035 6 0 "[ . ]" 1
97 1 6 G H1' 1 6 G H8 3.520 2.990 4.050 3.638 3.570 3.753 . 0 0 "[ . ]" 1
98 1 6 G H1' 1 7 A H8 3.430 2.060 4.800 4.695 4.515 4.840 0.040 5 0 "[ . ]" 1
99 1 6 G H2' 1 7 A H1' 2.650 . 3.500 2.953 2.052 3.506 0.006 2 0 "[ . ]" 1
100 1 6 G H21 1 22 C O2 2.000 . 2.200 1.881 1.790 2.126 0.010 1 0 "[ . ]" 1
101 1 6 G H3' 1 6 G H8 2.650 . 3.500 3.146 2.816 3.290 . 0 0 "[ . ]" 1
102 1 6 G H8 1 7 A H8 4.750 3.000 6.500 4.407 4.026 4.724 . 0 0 "[ . ]" 1
103 1 6 G N1 1 22 C N3 2.950 2.750 3.150 2.889 2.857 2.944 . 0 0 "[ . ]" 1
104 1 6 G N2 1 22 C O2 2.910 2.740 3.080 2.857 2.767 3.087 0.007 4 0 "[ . ]" 1
105 1 6 G O6 1 22 C H41 2.000 . 2.200 1.855 1.828 1.889 . 0 0 "[ . ]" 1
106 1 6 G O6 1 22 C N4 2.910 2.740 3.080 2.818 2.783 2.843 . 0 0 "[ . ]" 1
107 1 7 A H1' 1 7 A H2 4.470 3.130 5.810 5.157 4.889 5.713 . 0 0 "[ . ]" 1
108 1 7 A H1' 1 7 A H8 3.530 3.000 4.060 3.518 3.147 3.707 . 0 0 "[ . ]" 1
109 1 7 A H1' 1 8 G H8 3.840 3.260 4.420 4.413 4.267 4.442 0.022 4 0 "[ . ]" 1
110 1 7 A H2 1 7 A H2' 3.760 2.630 4.890 4.435 3.876 4.922 0.032 3 0 "[ . ]" 1
111 1 7 A H2 1 8 G H1' 3.570 2.500 4.640 3.596 2.756 4.157 . 0 0 "[ . ]" 1
112 1 7 A H2 1 21 U H1' 4.180 2.930 5.430 5.146 4.858 5.446 0.016 1 0 "[ . ]" 1
113 1 7 A H2 1 21 U H3 3.030 2.270 3.790 2.785 2.546 3.166 . 0 0 "[ . ]" 1
114 1 7 A H2 1 22 C H1' 3.250 2.270 4.230 3.657 3.413 4.234 0.004 1 0 "[ . ]" 1
115 1 7 A H2' 1 8 G H8 2.650 . 3.500 2.121 1.907 2.494 . 0 0 "[ . ]" 1
116 1 7 A H61 1 21 U O4 2.000 . 2.200 1.935 1.795 2.100 0.005 3 0 "[ . ]" 1
117 1 7 A N1 1 21 U H3 2.000 . 2.200 1.909 1.794 2.080 0.006 7 0 "[ . ]" 1
118 1 7 A N1 1 21 U N3 2.950 2.750 3.150 2.901 2.800 3.071 . 0 0 "[ . ]" 1
119 1 7 A N6 1 21 U O4 2.910 2.740 3.080 2.929 2.798 3.089 0.009 4 0 "[ . ]" 1
120 1 8 G H1 1 19 A H2 5.500 4.500 6.500 4.629 2.845 7.064 1.655 1 3 "[+* -. ]" 1
121 1 8 G H1 1 20 C Q4 3.080 2.040 4.160 2.856 2.732 2.987 . 0 0 "[ . ]" 1
122 1 8 G H1 1 20 C N3 2.000 . 2.200 1.846 1.779 1.898 0.021 2 0 "[ . ]" 1
123 1 8 G H1 1 21 U H3 4.680 3.510 5.850 3.903 3.496 4.794 0.014 3 0 "[ . ]" 1
124 1 8 G H1 1 21 U H5 4.150 . 6.500 4.746 3.768 6.152 . 0 0 "[ . ]" 1
125 1 8 G H1' 1 8 G H8 3.690 3.140 4.240 3.717 3.479 3.918 . 0 0 "[ . ]" 1
126 1 8 G H1' 1 9 G H8 3.870 2.320 5.420 4.538 3.111 5.432 0.012 1 0 "[ . ]" 1
127 1 8 G H2' 1 9 G H8 2.650 . 3.500 2.867 1.982 3.522 0.022 6 0 "[ . ]" 1
128 1 8 G H21 1 20 C O2 2.000 . 2.200 1.877 1.776 2.150 0.024 7 0 "[ . ]" 1
129 1 8 G H8 1 9 G H8 4.750 3.000 6.500 5.241 4.178 6.512 0.012 2 0 "[ . ]" 1
130 1 8 G N1 1 20 C N3 2.950 2.750 3.150 2.836 2.758 2.905 . 0 0 "[ . ]" 1
131 1 8 G N2 1 20 C O2 2.910 2.740 3.080 2.831 2.712 3.045 0.028 6 0 "[ . ]" 1
132 1 8 G O6 1 20 C Q4 2.000 . 2.200 2.024 1.789 2.197 0.011 1 0 "[ . ]" 1
133 1 8 G O6 1 20 C N4 2.910 2.740 3.080 2.874 2.723 3.084 0.017 4 0 "[ . ]" 1
134 1 9 G H1 1 10 U H3 4.030 3.020 5.040 3.186 3.002 3.476 0.018 1 0 "[ . ]" 1
135 1 9 G H1 1 10 U H5 4.150 . 6.500 5.190 4.901 5.395 . 0 0 "[ . ]" 1
136 1 9 G H1 1 10 U H6 4.120 3.090 5.150 5.157 5.075 5.185 0.035 5 0 "[ . ]" 1
137 1 9 G H1 1 17 A H2 3.760 2.820 4.700 4.212 3.827 4.695 . 0 0 "[ . ]" 1
138 1 9 G H1 1 18 C H41 3.080 . 4.160 2.839 2.797 2.928 . 0 0 "[ . ]" 1
139 1 9 G H1 1 18 C H42 3.170 2.060 4.280 4.289 4.272 4.306 0.026 1 0 "[ . ]" 1
140 1 9 G H1 1 18 C H5 5.300 3.980 6.500 5.169 5.078 5.232 . 0 0 "[ . ]" 1
141 1 9 G H1 1 18 C N3 2.000 . 2.200 1.915 1.820 1.959 . 0 0 "[ . ]" 1
142 1 9 G H1 1 19 A H2 5.000 4.500 5.500 6.803 5.001 9.453 3.953 4 5 "[ *+-**]" 1
143 1 9 G H1' 1 9 G H2' 2.650 . 3.500 2.659 2.627 2.691 . 0 0 "[ . ]" 1
144 1 9 G H1' 1 9 G H3' 3.400 . 5.000 3.595 3.565 3.639 . 0 0 "[ . ]" 1
145 1 9 G H1' 1 9 G H4' 2.650 . 3.500 3.456 3.297 3.541 0.041 5 0 "[ . ]" 1
146 1 9 G H1' 1 9 G H8 3.710 3.150 4.270 3.744 3.450 3.941 . 0 0 "[ . ]" 1
147 1 9 G H1' 1 10 U H6 3.400 . 5.000 4.819 4.478 5.014 0.014 5 0 "[ . ]" 1
148 1 9 G H2' 1 9 G H8 3.400 . 5.000 4.129 3.434 4.557 . 0 0 "[ . ]" 1
149 1 9 G H21 1 18 C O2 2.000 . 2.200 1.863 1.793 2.020 0.007 2 0 "[ . ]" 1
150 1 9 G H3' 1 9 G H8 2.650 . 3.500 2.715 2.046 3.456 . 0 0 "[ . ]" 1
151 1 9 G H3' 1 10 U H5 3.400 . 5.000 4.201 3.464 4.917 . 0 0 "[ . ]" 1
152 1 9 G H8 1 10 U H5 3.800 3.230 4.370 4.323 4.193 4.393 0.023 1 0 "[ . ]" 1
153 1 9 G H8 1 10 U H6 4.700 4.000 5.400 4.310 3.968 4.953 0.032 5 0 "[ . ]" 1
154 1 9 G N1 1 18 C N3 2.950 2.750 3.150 2.881 2.812 2.948 . 0 0 "[ . ]" 1
155 1 9 G N2 1 18 C O2 2.910 2.740 3.080 2.855 2.778 3.024 . 0 0 "[ . ]" 1
156 1 9 G O6 1 18 C H41 2.000 . 2.200 1.880 1.781 2.093 0.019 2 0 "[ . ]" 1
157 1 9 G O6 1 18 C N4 2.910 2.740 3.080 2.827 2.756 2.951 . 0 0 "[ . ]" 1
158 1 10 U H1' 1 10 U H3 4.150 . 6.500 4.757 4.495 4.885 . 0 0 "[ . ]" 1
159 1 10 U H1' 1 10 U H5 4.150 . 6.500 5.277 5.180 5.427 . 0 0 "[ . ]" 1
160 1 10 U H1' 1 10 U H6 4.150 . 6.500 3.450 3.241 3.724 . 0 0 "[ . ]" 1
161 1 10 U H1' 1 11 U H1' 4.150 . 6.500 6.319 5.342 6.511 0.011 3 0 "[ . ]" 1
162 1 10 U H1' 1 11 U H6 4.150 . 6.500 5.191 4.111 5.872 . 0 0 "[ . ]" 1
163 1 10 U H3 1 10 U H6 5.450 4.090 6.500 4.786 4.769 4.800 . 0 0 "[ . ]" 1
164 1 10 U H3 1 11 U H1' 4.060 3.050 5.070 3.547 3.103 3.940 . 0 0 "[ . ]" 1
165 1 10 U H3 1 11 U H3 4.720 3.540 5.900 3.605 3.515 3.797 0.025 1 0 "[ . ]" 1
166 1 10 U H3 1 11 U H5 5.320 3.990 6.650 4.877 4.570 5.135 . 0 0 "[ . ]" 1
167 1 10 U H3 1 16 U H3 4.150 . 6.500 4.400 3.879 4.835 . 0 0 "[ . ]" 1
168 1 10 U H3 1 17 A H2 3.160 2.370 3.950 3.120 2.841 3.509 . 0 0 "[ . ]" 1
169 1 10 U H3 1 17 A H61 3.450 2.240 4.660 2.466 2.233 2.716 0.007 6 0 "[ . ]" 1
170 1 10 U H3 1 17 A H62 3.560 2.310 4.810 3.894 3.592 4.171 . 0 0 "[ . ]" 1
171 1 10 U H3 1 17 A N1 2.000 . 2.200 1.968 1.853 2.155 . 0 0 "[ . ]" 1
172 1 10 U H3 1 18 C H41 4.760 3.100 6.420 3.864 3.349 4.340 . 0 0 "[ . ]" 1
173 1 10 U H3 1 18 C H42 5.090 3.310 6.870 4.809 4.037 5.292 . 0 0 "[ . ]" 1
174 1 10 U H5 1 10 U H6 2.430 2.070 2.790 2.406 2.351 2.455 . 0 0 "[ . ]" 1
175 1 10 U H5 1 11 U H3 5.480 4.110 6.850 4.904 4.443 5.280 . 0 0 "[ . ]" 1
176 1 10 U H5 1 11 U H5 3.400 . 5.000 4.210 3.713 4.672 . 0 0 "[ . ]" 1
177 1 10 U H6 1 11 U H3 4.150 . 6.500 6.386 5.935 6.525 0.025 1 0 "[ . ]" 1
178 1 10 U H6 1 11 U H5 4.750 3.000 6.500 4.270 3.807 4.897 . 0 0 "[ . ]" 1
179 1 10 U H6 1 11 U H6 4.750 3.000 6.500 5.125 4.768 5.523 . 0 0 "[ . ]" 1
180 1 10 U N3 1 17 A N1 2.950 2.750 3.150 2.951 2.840 3.154 0.004 6 0 "[ . ]" 1
181 1 10 U O4 1 17 A H61 2.000 . 2.200 1.896 1.775 2.197 0.025 3 0 "[ . ]" 1
182 1 10 U O4 1 17 A N6 2.910 2.740 3.080 2.746 2.705 2.779 0.035 7 0 "[ . ]" 1
183 1 11 U H1' 1 11 U H2' 2.650 2.250 3.050 2.621 2.550 2.729 . 0 0 "[ . ]" 1
184 1 11 U H1' 1 11 U H3 5.150 3.860 6.440 4.460 4.424 4.489 . 0 0 "[ . ]" 1
185 1 11 U H1' 1 11 U H4' 2.650 . 3.500 3.272 2.935 3.449 . 0 0 "[ . ]" 1
186 1 11 U H1' 1 11 U H6 3.380 2.870 3.890 3.740 3.720 3.752 . 0 0 "[ . ]" 1
187 1 11 U H1' 1 12 U H3 4.150 . 6.500 6.520 6.502 6.537 0.037 3 0 "[ . ]" 1
188 1 11 U H1' 1 12 U H6 3.530 2.650 4.410 4.427 4.419 4.439 0.029 3 0 "[ . ]" 1
189 1 11 U H1' 1 17 A H2 2.650 . 3.450 2.836 2.618 3.321 . 0 0 "[ . ]" 1
190 1 11 U H2' 1 11 U H3 4.150 . 6.500 4.813 4.579 5.019 . 0 0 "[ . ]" 1
191 1 11 U H2' 1 11 U H3' 2.650 . 3.500 2.365 2.312 2.418 . 0 0 "[ . ]" 1
192 1 11 U H2' 1 11 U H6 3.350 2.850 3.850 3.570 3.300 3.851 0.001 3 0 "[ . ]" 1
193 1 11 U H2' 1 12 U H1' 3.580 3.040 4.120 4.108 3.930 4.150 0.030 1 0 "[ . ]" 1
194 1 11 U H2' 1 12 U H5 3.400 . 5.000 3.408 3.152 3.664 . 0 0 "[ . ]" 1
195 1 11 U H2' 1 12 U H6 2.360 2.010 2.710 2.036 1.986 2.136 0.024 2 0 "[ . ]" 1
196 1 11 U H3 1 11 U H5 5.140 3.860 6.420 4.221 4.215 4.228 . 0 0 "[ . ]" 1
197 1 11 U H3 1 11 U H6 4.150 . 6.500 4.796 4.785 4.805 . 0 0 "[ . ]" 1
198 1 11 U H3 1 12 U H1' 4.150 . 6.500 5.644 5.388 5.810 . 0 0 "[ . ]" 1
199 1 11 U H3 1 12 U H3 4.450 3.340 5.560 3.436 3.322 3.597 0.018 1 0 "[ . ]" 1
200 1 11 U H3 1 12 U H5 5.150 3.860 6.440 4.090 3.848 4.341 0.012 7 0 "[ . ]" 1
201 1 11 U H3 1 12 U H6 4.150 . 6.500 5.046 4.885 5.310 . 0 0 "[ . ]" 1
202 1 11 U H3 1 16 U H3 3.000 2.250 3.750 3.144 2.943 3.290 . 0 0 "[ . ]" 1
203 1 11 U H3 1 16 U H5 5.420 4.070 6.500 4.558 4.331 4.816 . 0 0 "[ . ]" 1
204 1 11 U H3 1 17 A H2 5.380 4.040 6.500 5.605 5.095 6.092 . 0 0 "[ . ]" 1
205 1 11 U H3 1 17 A H61 4.000 2.600 5.400 3.308 2.592 4.262 0.008 3 0 "[ . ]" 1
206 1 11 U H3 1 17 A H62 3.970 2.580 5.360 3.618 2.852 4.340 . 0 0 "[ . ]" 1
207 1 11 U H3' 1 11 U H6 2.650 . 3.500 2.272 2.166 2.498 . 0 0 "[ . ]" 1
208 1 11 U H3' 1 12 U H5 3.400 . 5.000 3.990 3.550 4.783 . 0 0 "[ . ]" 1
209 1 11 U H4' 1 11 U H6 3.400 . 5.000 4.144 4.015 4.325 . 0 0 "[ . ]" 1
210 1 11 U H5 1 11 U H6 2.650 . 3.500 2.412 2.402 2.421 . 0 0 "[ . ]" 1
211 1 11 U H5 1 12 U H5 4.150 . 6.500 3.863 3.629 4.226 . 0 0 "[ . ]" 1
212 1 11 U H6 1 12 U H5 3.580 3.040 4.120 4.038 3.867 4.139 0.019 2 0 "[ . ]" 1
213 1 12 U H1' 1 12 U H2' 3.210 2.410 3.500 2.659 2.609 2.701 . 0 0 "[ . ]" 1
214 1 12 U H1' 1 12 U H3 5.040 3.780 6.300 4.569 4.541 4.604 . 0 0 "[ . ]" 1
215 1 12 U H1' 1 12 U H3' 2.650 . 3.500 3.513 3.505 3.525 0.025 6 0 "[ . ]" 1
216 1 12 U H1' 1 12 U H4' 2.650 . 3.500 3.377 3.282 3.470 . 0 0 "[ . ]" 1
217 1 12 U H1' 1 12 U H6 3.350 2.850 3.850 3.610 3.559 3.663 . 0 0 "[ . ]" 1
218 1 12 U H1' 1 13 A H8 4.150 . 6.500 4.925 4.780 5.161 . 0 0 "[ . ]" 1
219 1 12 U H1' 1 14 G H8 4.150 . 6.500 3.959 3.729 4.157 . 0 0 "[ . ]" 1
220 1 12 U H1' 1 16 U H1' 2.650 . 3.500 3.511 3.506 3.519 0.019 4 0 "[ . ]" 1
221 1 12 U H1' 1 16 U H3 4.100 3.080 5.120 3.430 3.248 3.603 . 0 0 "[ . ]" 1
222 1 12 U H2' 1 12 U H3' 3.740 2.800 4.680 2.279 2.203 2.343 0.597 6 4 "[ - *+*]" 1
223 1 12 U H2' 1 12 U H4' 4.220 3.170 5.270 3.709 3.673 3.760 . 0 0 "[ . ]" 1
224 1 12 U H2' 1 12 U H6 2.650 . 3.500 3.546 3.531 3.568 0.068 6 0 "[ . ]" 1
225 1 12 U H2' 1 13 A H8 4.360 3.270 5.000 2.527 2.344 2.819 0.926 3 6 "[**+ -**]" 1
226 1 12 U H2' 1 14 G H8 . 2.850 3.500 2.764 2.542 2.940 0.308 4 0 "[ . ]" 1
227 1 12 U H2' 1 16 U H1' 3.840 2.880 4.800 5.070 4.841 5.448 0.648 3 1 "[ + . ]" 1
228 1 12 U H3 1 12 U H5 4.780 3.580 5.980 4.216 4.207 4.227 . 0 0 "[ . ]" 1
229 1 12 U H3 1 13 A H1' 4.150 . 6.500 5.499 5.023 6.000 . 0 0 "[ . ]" 1
230 1 12 U H3 1 13 A H3' 4.130 3.100 5.160 4.423 3.658 5.041 . 0 0 "[ . ]" 1
231 1 12 U H3 1 14 G H2' 4.220 3.160 5.280 4.147 3.598 4.730 . 0 0 "[ . ]" 1
232 1 12 U H3 1 14 G H3' 3.110 2.330 3.890 2.872 2.652 3.168 . 0 0 "[ . ]" 1
233 1 12 U H3 1 14 G H4' 4.150 . 6.500 5.564 5.133 6.068 . 0 0 "[ . ]" 1
234 1 12 U H3 1 14 G H5' 4.220 . 7.060 5.116 3.969 6.649 . 0 0 "[ . ]" 1
235 1 12 U H3 1 14 G H5'' 4.220 . 7.060 5.530 4.597 6.152 . 0 0 "[ . ]" 1
236 1 12 U H3 1 14 G H8 3.910 2.930 4.890 3.674 3.390 3.958 . 0 0 "[ . ]" 1
237 1 12 U H3 1 16 U H3 5.110 3.830 6.390 3.994 3.824 4.148 0.006 7 0 "[ . ]" 1
238 1 12 U H3 1 16 U H5 4.140 3.110 5.170 3.435 3.251 3.709 . 0 0 "[ . ]" 1
239 1 12 U H3 1 16 U H6 4.890 3.670 6.110 4.718 4.462 4.943 . 0 0 "[ . ]" 1
240 1 12 U H3' 1 12 U H6 2.650 . 3.500 2.047 1.963 2.192 . 0 0 "[ . ]" 1
241 1 12 U H3' 1 13 A H8 3.490 2.970 4.010 3.316 3.158 3.516 . 0 0 "[ . ]" 1
242 1 12 U H4' 1 12 U H6 3.400 . 5.000 3.960 3.865 4.049 . 0 0 "[ . ]" 1
243 1 12 U H4' 1 13 A H8 3.840 3.260 4.420 4.436 4.426 4.456 0.036 6 0 "[ . ]" 1
244 1 12 U H5 1 12 U H6 2.650 . 3.500 2.437 2.425 2.461 . 0 0 "[ . ]" 1
245 1 12 U H5 1 16 U H3 5.100 3.830 6.370 5.381 5.166 5.507 . 0 0 "[ . ]" 1
246 1 12 U H6 1 13 A H8 5.250 3.000 7.500 5.258 5.124 5.395 . 0 0 "[ . ]" 1
247 1 12 U H6 1 14 G H8 4.750 3.000 6.500 5.643 5.471 5.946 . 0 0 "[ . ]" 1
248 1 13 A H1' 1 13 A H2' 2.650 . 3.500 3.047 3.038 3.060 . 0 0 "[ . ]" 1
249 1 13 A H1' 1 13 A H4' 2.650 . 3.500 3.422 3.341 3.507 0.007 6 0 "[ . ]" 1
250 1 13 A H1' 1 13 A H8 3.520 2.990 4.050 3.963 3.952 3.973 . 0 0 "[ . ]" 1
251 1 13 A H1' 1 14 G H8 3.760 3.200 4.320 3.381 3.213 3.521 . 0 0 "[ . ]" 1
252 1 13 A H2 1 14 G H1' 3.360 2.350 4.370 3.421 3.242 3.669 . 0 0 "[ . ]" 1
253 1 13 A H3' 1 13 A H8 3.400 . 5.000 4.613 4.226 4.828 . 0 0 "[ . ]" 1
254 1 13 A H3' 1 14 G H8 3.400 . 5.000 4.734 4.598 4.989 . 0 0 "[ . ]" 1
255 1 13 A Q6 1 14 G H1 5.260 3.950 6.500 3.608 3.514 3.833 0.436 6 0 "[ . ]" 1
256 1 13 A Q6 1 14 G Q2 4.150 . 6.500 4.199 3.771 4.553 . 0 0 "[ . ]" 1
257 1 13 A H8 1 14 G H8 4.590 3.900 5.280 4.184 3.897 4.373 0.003 6 0 "[ . ]" 1
258 1 14 G H1 1 16 U H4' 4.760 3.570 5.950 3.864 3.560 4.341 0.010 2 0 "[ . ]" 1
259 1 14 G H1' 1 14 G H2' 2.650 . 3.500 2.732 2.637 2.870 . 0 0 "[ . ]" 1
260 1 14 G H1' 1 14 G H3' 3.350 2.850 3.850 3.621 3.566 3.742 . 0 0 "[ . ]" 1
261 1 14 G H1' 1 14 G H4' 3.400 . 5.000 3.093 2.738 3.486 . 0 0 "[ . ]" 1
262 1 14 G H1' 1 14 G H8 3.590 3.050 4.130 3.956 3.911 3.998 . 0 0 "[ . ]" 1
263 1 14 G H1' 1 16 U H6 4.110 3.490 4.730 4.467 4.125 4.668 . 0 0 "[ . ]" 1
264 1 14 G H2' 1 14 G H3' 2.650 . 3.500 2.359 2.290 2.404 . 0 0 "[ . ]" 1
265 1 14 G H2' 1 14 G H8 3.120 2.650 3.590 3.375 3.086 3.597 0.007 5 0 "[ . ]" 1
266 1 14 G H2' 1 16 U H6 2.650 . 3.500 2.221 1.935 2.707 . 0 0 "[ . ]" 1
267 1 14 G H3' 1 14 G H4' 3.400 . 5.000 3.034 3.017 3.048 . 0 0 "[ . ]" 1
268 1 14 G H3' 1 14 G H8 2.530 2.150 2.910 2.297 2.129 2.746 0.021 4 0 "[ . ]" 1
269 1 14 G H3' 1 16 U H5 3.910 3.320 4.500 3.922 3.373 4.507 0.007 4 0 "[ . ]" 1
270 1 14 G H8 1 16 U H6 4.750 3.000 6.500 4.648 4.369 4.966 . 0 0 "[ . ]" 1
271 1 15 C H1' 1 15 C H2' 2.650 . 3.500 2.977 2.717 3.110 . 0 0 "[ . ]" 1
272 1 15 C H1' 1 15 C H3' 3.460 2.940 3.980 3.848 3.608 3.997 0.017 3 0 "[ . ]" 1
273 1 15 C H1' 1 15 C H4' 2.650 . 3.500 3.459 3.368 3.534 0.034 3 0 "[ . ]" 1
274 1 15 C H1' 1 15 C H5' 3.880 3.000 4.760 4.233 4.010 4.808 0.048 3 0 "[ . ]" 1
275 1 15 C H1' 1 15 C H5'' 3.880 3.000 4.760 4.417 4.016 4.590 . 0 0 "[ . ]" 1
276 1 15 C H1' 1 15 C H6 2.590 2.200 2.980 3.128 3.092 3.183 0.203 7 0 "[ . ]" 1
277 1 15 C H1' 1 16 U H5 4.150 . 6.500 4.052 3.144 4.497 . 0 0 "[ . ]" 1
278 1 15 C H1' 1 16 U H5' 3.400 . 6.780 5.043 4.611 6.415 . 0 0 "[ . ]" 1
279 1 15 C H1' 1 16 U H6 3.930 3.340 4.520 4.355 3.967 4.548 0.028 2 0 "[ . ]" 1
280 1 15 C H1' 2 1 TOA H2 4.320 2.590 6.050 5.989 5.714 6.075 0.025 2 0 "[ . ]" 1
281 1 15 C H1' 2 1 TOA H61 3.020 . 6.010 2.981 2.007 3.812 . 0 0 "[ . ]" 1
282 1 15 C H1' 2 1 TOA H62 3.820 . 6.170 2.956 2.041 4.389 . 0 0 "[ . ]" 1
283 1 15 C H2' 1 15 C H5 3.400 . 5.000 4.892 4.524 5.062 0.062 6 0 "[ . ]" 1
284 1 15 C H2' 1 15 C H6 2.650 . 3.500 3.287 2.641 3.572 0.072 5 0 "[ . ]" 1
285 1 15 C H3' 1 15 C H4' 2.650 . 3.500 2.755 2.646 2.996 . 0 0 "[ . ]" 1
286 1 15 C H3' 1 15 C H5 4.150 . 6.500 5.839 4.121 6.551 0.051 1 0 "[ . ]" 1
287 1 15 C H3' 1 15 C H6 3.400 . 5.000 3.875 2.442 4.574 . 0 0 "[ . ]" 1
288 1 15 C H4' 1 15 C H6 3.400 . 5.000 3.625 3.386 3.751 . 0 0 "[ . ]" 1
289 1 15 C H4' 1 16 U H5 2.650 . 3.500 2.128 1.941 2.488 . 0 0 "[ . ]" 1
290 1 15 C H4' 1 16 U H6 2.650 . 3.500 2.433 1.957 3.107 . 0 0 "[ . ]" 1
291 1 15 C H41 1 15 C H5 3.120 2.030 4.210 3.721 3.692 3.771 . 0 0 "[ . ]" 1
292 1 15 C H42 1 15 C H5 3.460 2.250 4.670 2.476 2.406 2.543 . 0 0 "[ . ]" 1
293 1 15 C H5 1 15 C H5' 3.970 3.060 4.880 4.161 3.662 4.932 0.052 3 0 "[ . ]" 1
294 1 15 C H5 1 15 C H5'' 3.970 3.060 4.880 4.427 3.357 4.901 0.021 6 0 "[ . ]" 1
295 1 15 C H5 1 15 C H6 2.400 2.040 2.760 2.486 2.398 2.572 . 0 0 "[ . ]" 1
296 1 15 C H5 2 1 TOA H1 3.650 3.100 4.200 3.323 3.061 4.034 0.039 3 0 "[ . ]" 1
297 1 15 C H5 2 1 TOA H2 3.740 2.240 5.240 3.680 2.424 4.353 . 0 0 "[ . ]" 1
298 1 15 C H5 2 1 TOA H4 4.560 3.880 5.240 4.649 3.873 5.252 0.012 7 0 "[ . ]" 1
299 1 15 C H5 2 1 TOA H5 4.300 2.580 6.020 5.499 4.894 6.043 0.023 5 0 "[ . ]" 1
300 1 15 C H5 2 1 TOA H61 3.940 . 7.300 5.388 4.295 6.245 . 0 0 "[ . ]" 1
301 1 15 C H5 2 1 TOA H62 4.390 . 6.830 5.115 4.093 6.506 . 0 0 "[ . ]" 1
302 1 15 C H6 1 16 U H5 5.250 3.000 7.500 4.155 3.621 4.560 . 0 0 "[ . ]" 1
303 1 15 C H6 1 16 U H6 5.250 3.000 7.500 5.623 5.206 6.131 . 0 0 "[ . ]" 1
304 1 15 C H6 2 1 TOA H4 4.150 . 6.500 4.612 3.925 5.073 . 0 0 "[ . ]" 1
305 1 15 C H6 2 1 TOA H62 4.200 . 6.610 3.710 2.617 5.335 . 0 0 "[ . ]" 1
306 1 16 U H1' 1 16 U H2' 4.150 . 6.500 2.611 2.527 2.674 . 0 0 "[ . ]" 1
307 1 16 U H1' 1 16 U H3 4.540 3.400 5.680 4.674 4.610 4.742 . 0 0 "[ . ]" 1
308 1 16 U H1' 1 16 U H6 3.400 . 5.000 3.582 3.491 3.664 . 0 0 "[ . ]" 1
309 1 16 U H1' 1 17 A H8 3.150 . 4.500 4.496 4.418 4.529 0.029 2 0 "[ . ]" 1
310 1 16 U H3 1 16 U H5 5.090 3.820 6.360 4.183 4.173 4.197 . 0 0 "[ . ]" 1
311 1 16 U H3 1 17 A H1' 4.480 3.360 5.600 4.516 3.863 5.115 . 0 0 "[ . ]" 1
312 1 16 U H3 1 17 A H2 4.150 . 6.500 4.418 4.197 4.828 . 0 0 "[ . ]" 1
313 1 16 U H3 1 17 A H61 5.790 3.760 7.820 4.285 3.919 4.870 . 0 0 "[ . ]" 1
314 1 16 U H3 1 17 A H8 4.920 3.690 6.150 4.563 4.120 4.926 . 0 0 "[ . ]" 1
315 1 16 U H3' 1 16 U H6 2.650 . 3.500 2.700 2.384 3.186 . 0 0 "[ . ]" 1
316 1 16 U H3' 1 17 A H8 2.650 . 3.500 2.188 1.834 2.692 . 0 0 "[ . ]" 1
317 1 16 U H4' 1 16 U H6 3.400 . 5.000 4.049 3.900 4.302 . 0 0 "[ . ]" 1
318 1 16 U H5 1 16 U H6 2.450 2.080 2.820 2.402 2.367 2.421 . 0 0 "[ . ]" 1
319 1 16 U H5 1 17 A H8 4.750 3.000 6.500 4.916 4.653 5.229 . 0 0 "[ . ]" 1
320 1 16 U H5' 1 16 U H6 2.650 . 5.280 3.090 1.935 4.232 . 0 0 "[ . ]" 1
321 1 16 U H6 1 17 A H8 4.750 3.000 6.500 4.129 3.852 4.329 . 0 0 "[ . ]" 1
322 1 17 A H1' 1 17 A H4' 2.650 . 3.500 3.437 3.274 3.521 0.021 7 0 "[ . ]" 1
323 1 17 A H1' 1 17 A H8 3.400 2.890 3.910 3.782 3.690 3.901 . 0 0 "[ . ]" 1
324 1 17 A H1' 1 18 C H6 3.820 3.250 4.390 4.386 4.232 4.417 0.027 3 0 "[ . ]" 1
325 1 17 A H2 1 17 A H3' 4.150 . 6.500 6.567 6.552 6.587 0.087 6 0 "[ . ]" 1
326 1 17 A H2 1 18 C H1' 3.200 . 4.480 3.901 3.184 4.453 . 0 0 "[ . ]" 1
327 1 17 A H2 1 18 C H6 5.250 3.000 7.500 4.167 3.818 4.491 . 0 0 "[ . ]" 1
328 1 17 A H2' 1 18 C H6 2.650 . 3.500 2.501 2.210 3.027 . 0 0 "[ . ]" 1
329 1 17 A H3' 1 18 C H6 3.400 . 5.000 3.672 3.188 4.058 . 0 0 "[ . ]" 1
330 1 17 A H61 1 18 C H41 4.150 . 6.500 2.882 2.398 3.338 . 0 0 "[ . ]" 1
331 1 17 A H61 2 1 TOA HO6 4.150 . 6.500 4.891 3.463 6.064 . 0 0 "[ . ]" 1
332 1 17 A H62 1 18 C H41 4.150 . 6.500 3.677 3.291 4.223 . 0 0 "[ . ]" 1
333 1 17 A H62 1 18 C H42 4.150 . 6.500 3.310 2.952 3.920 . 0 0 "[ . ]" 1
334 1 17 A H62 2 1 TOA HO6 4.150 . 6.500 3.500 2.482 4.605 . 0 0 "[ . ]" 1
335 1 17 A H8 1 18 C H6 4.750 3.000 6.500 5.371 4.978 5.741 . 0 0 "[ . ]" 1
336 1 18 C H1' 1 18 C H2' 2.650 . 3.500 2.983 2.966 2.994 . 0 0 "[ . ]" 1
337 1 18 C H1' 1 18 C H3' 2.650 . 3.500 3.547 3.531 3.569 0.069 7 0 "[ . ]" 1
338 1 18 C H1' 1 18 C H4' 2.650 . 3.500 2.818 2.428 3.229 . 0 0 "[ . ]" 1
339 1 18 C H1' 1 18 C H6 3.790 2.270 5.310 3.716 3.652 3.767 . 0 0 "[ . ]" 1
340 1 18 C H1' 1 19 A H8 5.500 4.500 6.500 5.290 4.486 6.510 0.014 7 0 "[ . ]" 1
341 1 18 C H2' 1 18 C H6 2.650 . 3.500 2.197 1.982 2.354 . 0 0 "[ . ]" 1
342 1 18 C H2' 1 19 A H8 3.400 . 5.000 4.278 3.680 4.758 . 0 0 "[ . ]" 1
343 1 18 C H41 1 18 C H5 3.540 2.300 4.780 3.686 3.643 3.731 . 0 0 "[ . ]" 1
344 1 18 C H41 2 1 TOA H3 3.780 2.840 4.720 3.410 2.993 3.843 . 0 0 "[ . ]" 1
345 1 18 C H41 2 1 TOA HO4 4.150 . 6.500 3.869 2.764 4.679 . 0 0 "[ . ]" 1
346 1 18 C H42 2 1 TOA H3 3.470 2.600 4.340 3.575 2.596 4.269 0.004 2 0 "[ . ]" 1
347 1 18 C H42 2 1 TOA H4 4.140 3.110 5.170 4.247 3.884 5.114 . 0 0 "[ . ]" 1
348 1 18 C H42 2 1 TOA HO4 4.150 . 6.500 2.549 2.029 3.508 . 0 0 "[ . ]" 1
349 1 18 C H5 1 18 C H6 2.670 2.270 3.070 2.435 2.409 2.453 . 0 0 "[ . ]" 1
350 1 18 C H5 1 19 A H2 54.500 4.500 104.500 7.304 2.429 10.395 2.071 5 2 "[ - + ]" 1
351 1 18 C H6 1 19 A H2 54.500 4.500 104.500 7.671 3.722 10.581 0.778 5 1 "[ + ]" 1
352 1 18 C H6 1 19 A H8 5.500 4.500 6.500 5.369 4.498 6.513 0.013 6 0 "[ . ]" 1
353 1 19 A H1' 1 19 A H2 4.870 3.410 6.330 4.526 4.390 4.856 . 0 0 "[ . ]" 1
354 1 19 A H1' 1 19 A H2' 3.400 . 5.000 3.033 2.978 3.083 . 0 0 "[ . ]" 1
355 1 19 A H1' 1 19 A H3' 3.400 . 5.000 3.668 3.559 3.795 . 0 0 "[ . ]" 1
356 1 19 A H1' 1 19 A H4' 3.160 2.690 3.630 3.021 2.648 3.507 0.042 3 0 "[ . ]" 1
357 1 19 A H1' 1 19 A H8 3.850 3.270 4.430 3.870 3.577 3.976 . 0 0 "[ . ]" 1
358 1 19 A H1' 1 20 C H1' 3.970 3.370 4.570 4.500 4.291 4.593 0.023 5 0 "[ . ]" 1
359 1 19 A H1' 1 20 C Q4 5.300 3.440 7.160 4.796 3.809 5.331 . 0 0 "[ . ]" 1
360 1 19 A H1' 1 20 C H5 2.650 . 3.500 3.268 3.061 3.505 0.005 7 0 "[ . ]" 1
361 1 19 A H1' 1 20 C H6 3.810 2.290 5.330 2.469 2.242 3.343 0.048 6 0 "[ . ]" 1
362 1 19 A H2 1 20 C H1' 3.890 2.720 5.060 4.971 4.426 5.091 0.031 2 0 "[ . ]" 1
363 1 19 A H2 1 20 C Q4 5.250 4.500 6.000 4.242 2.473 6.671 2.027 2 5 "[*+ -** ]" 1
364 1 19 A H2 1 20 C H5 54.500 4.500 104.500 5.113 3.198 7.709 1.302 5 1 "[ + ]" 1
365 1 19 A H2 1 20 C H6 54.500 4.500 104.500 5.319 4.006 7.247 0.494 5 0 "[ . ]" 1
366 1 19 A H2 1 21 U H5 54.500 4.500 104.500 4.764 2.052 8.294 2.448 7 3 "[- .*+]" 1
367 1 19 A H2 1 21 U H6 54.500 4.500 104.500 5.123 2.685 8.940 1.815 7 3 "[ *.-+]" 1
368 1 19 A H2 2 1 TOA H3 5.750 5.000 6.500 8.196 4.301 12.292 5.792 4 5 "[ -*+.**]" 1
369 1 19 A H2' 1 19 A H4' 3.400 . 5.000 3.661 3.569 3.760 . 0 0 "[ . ]" 1
370 1 19 A H2' 1 19 A H8 2.650 . 3.500 2.677 2.161 3.092 . 0 0 "[ . ]" 1
371 1 19 A H2' 1 20 C H6 4.150 . 6.500 4.940 4.423 5.419 . 0 0 "[ . ]" 1
372 1 19 A H3' 1 19 A H4' 2.650 . 3.500 2.782 2.655 2.904 . 0 0 "[ . ]" 1
373 1 19 A H3' 1 19 A H8 3.400 . 5.000 4.722 4.384 4.997 . 0 0 "[ . ]" 1
374 1 19 A H4' 1 19 A H8 4.480 3.810 5.150 4.906 4.480 5.222 0.072 3 0 "[ . ]" 1
375 1 19 A H4' 1 20 C H5 3.400 . 5.000 4.505 2.257 5.028 0.028 5 0 "[ . ]" 1
376 1 19 A H4' 1 20 C H6 3.400 . 5.000 3.211 1.924 3.987 . 0 0 "[ . ]" 1
377 1 19 A H8 1 20 C H5 5.500 4.500 6.500 5.395 4.508 6.514 0.014 5 0 "[ . ]" 1
378 1 19 A H8 1 20 C H6 5.500 4.500 6.500 5.756 5.205 6.500 0.000 2 0 "[ . ]" 1
379 1 20 C H1' 1 20 C H2' 2.650 . 3.500 2.935 2.647 3.058 . 0 0 "[ . ]" 1
380 1 20 C H1' 1 20 C H6 4.150 . 6.500 3.596 2.790 3.777 . 0 0 "[ . ]" 1
381 1 20 C H1' 1 21 U H6 4.150 . 6.500 4.704 3.124 6.431 . 0 0 "[ . ]" 1
382 1 20 C H2' 1 21 U H5 4.150 . 6.500 5.724 4.592 6.506 0.006 4 0 "[ . ]" 1
383 1 20 C H3' 1 20 C H6 4.150 . 6.500 4.042 2.594 4.588 . 0 0 "[ . ]" 1
384 1 20 C Q4 1 20 C H5 3.930 2.550 5.310 2.454 2.351 2.499 0.199 4 0 "[ . ]" 1
385 1 20 C Q4 1 21 U H3 4.150 . 6.500 4.144 3.498 5.025 . 0 0 "[ . ]" 1
386 1 20 C Q4 1 21 U H5 4.150 . 6.500 4.049 2.550 5.998 . 0 0 "[ . ]" 1
387 1 20 C H5 1 20 C H6 2.490 2.120 2.860 2.416 2.350 2.463 . 0 0 "[ . ]" 1
388 1 20 C H5 1 21 U H5 4.150 . 6.500 5.053 3.560 6.530 0.030 6 0 "[ . ]" 1
389 1 20 C H5' 1 20 C H6 3.400 . 6.780 4.005 2.311 4.822 . 0 0 "[ . ]" 1
390 1 20 C H6 1 21 U H5 4.150 . 6.500 5.539 4.699 6.233 . 0 0 "[ . ]" 1
391 1 20 C H6 1 21 U H6 4.750 3.000 6.500 5.692 4.646 6.510 0.010 7 0 "[ . ]" 1
392 1 21 U H1' 1 21 U H6 4.150 . 6.500 3.725 3.553 3.782 . 0 0 "[ . ]" 1
393 1 21 U H1' 1 22 C H6 3.400 . 5.000 4.105 3.329 4.646 . 0 0 "[ . ]" 1
394 1 21 U H3 1 21 U H5 4.040 3.030 5.050 4.208 4.186 4.222 . 0 0 "[ . ]" 1
395 1 21 U H3 1 22 C H2' 4.150 . 6.500 6.045 5.388 6.525 0.025 4 0 "[ . ]" 1
396 1 21 U H3 1 22 C H41 4.540 2.950 6.130 4.046 3.461 4.383 . 0 0 "[ . ]" 1
397 1 21 U H3 1 22 C H42 4.650 3.020 6.280 4.182 3.284 4.845 . 0 0 "[ . ]" 1
398 1 21 U H3 1 22 C H6 5.300 3.980 6.620 4.455 4.016 5.126 . 0 0 "[ . ]" 1
399 1 21 U H5 1 21 U H6 2.650 . 3.500 2.412 2.402 2.419 . 0 0 "[ . ]" 1
400 1 21 U H5 1 22 C H6 5.250 3.000 7.500 5.921 4.635 7.289 . 0 0 "[ . ]" 1
401 1 21 U H6 1 22 C H6 5.250 3.000 7.500 5.207 4.175 6.081 . 0 0 "[ . ]" 1
402 1 22 C H1' 1 22 C H6 4.150 . 6.500 3.778 3.761 3.793 . 0 0 "[ . ]" 1
403 1 22 C H1' 1 23 G H8 3.460 2.940 3.980 3.184 2.932 3.504 0.008 6 0 "[ . ]" 1
404 1 22 C H2' 1 23 G H8 2.650 . 3.500 3.331 3.078 3.513 0.013 4 0 "[ . ]" 1
405 1 22 C H5 1 22 C H6 2.650 . 3.500 2.438 2.429 2.445 . 0 0 "[ . ]" 1
406 1 22 C H5 1 23 G H8 4.750 3.000 6.500 5.323 4.990 6.074 . 0 0 "[ . ]" 1
407 1 22 C H6 1 23 G H8 4.750 3.000 6.500 4.260 3.928 4.745 . 0 0 "[ . ]" 1
408 1 23 G H1 1 23 G H22 2.870 . 3.870 3.520 3.509 3.532 . 0 0 "[ . ]" 1
409 1 23 G H1 1 24 U H3 3.910 2.930 4.890 3.218 2.980 3.426 . 0 0 "[ . ]" 1
410 1 23 G H1 1 24 U H5 4.150 . 6.500 5.408 5.145 5.818 . 0 0 "[ . ]" 1
411 1 23 G H1' 1 23 G H3' 2.650 . 3.500 3.512 3.462 3.535 0.035 3 0 "[ . ]" 1
412 1 23 G H1' 1 23 G H8 3.360 2.860 3.860 3.875 3.863 3.898 0.038 4 0 "[ . ]" 1
413 1 23 G H1' 1 24 U H5 4.150 3.530 4.770 4.354 4.178 4.747 . 0 0 "[ . ]" 1
414 1 23 G H1' 1 24 U H6 2.650 . 3.500 3.567 3.554 3.591 0.091 2 0 "[ . ]" 1
415 1 23 G H3' 1 23 G H8 2.650 . 3.500 3.004 1.943 3.506 0.006 1 0 "[ . ]" 1
416 1 23 G H3' 1 24 U H5 2.650 . 3.500 3.507 3.435 3.534 0.034 1 0 "[ . ]" 1
417 1 23 G H3' 1 24 U H6 2.650 . 3.500 3.553 3.510 3.574 0.074 7 0 "[ . ]" 1
418 1 23 G H8 1 24 U H5 3.770 3.200 4.340 3.825 3.305 4.172 . 0 0 "[ . ]" 1
419 1 23 G H8 1 24 U H6 4.750 3.000 6.500 5.050 4.251 5.392 . 0 0 "[ . ]" 1
420 1 24 U H1' 1 24 U H5 4.150 . 6.500 5.384 5.361 5.413 . 0 0 "[ . ]" 1
421 1 24 U H3 1 24 U H5 4.150 . 6.500 4.200 4.178 4.221 . 0 0 "[ . ]" 1
422 1 24 U H3 1 25 G H8 4.150 . 6.500 4.400 4.233 4.539 . 0 0 "[ . ]" 1
423 1 24 U H5 1 24 U H6 2.470 2.100 2.840 2.390 2.373 2.409 . 0 0 "[ . ]" 1
424 1 25 G H1 1 25 G H21 2.940 . 3.970 2.257 2.251 2.266 . 0 0 "[ . ]" 1
425 1 25 G H1 1 25 G H22 2.890 . 3.900 3.527 3.523 3.535 . 0 0 "[ . ]" 1
426 2 1 TOA H1 2 1 TOA H3 3.150 2.680 3.620 3.665 3.658 3.673 0.053 6 0 "[ . ]" 1
427 2 1 TOA H1 2 1 TOA H4 3.510 2.980 4.040 4.056 4.047 4.071 0.031 4 0 "[ . ]" 1
428 2 1 TOA H1 2 1 TOA H62 4.880 2.370 7.390 4.846 4.589 5.435 . 0 0 "[ . ]" 1
429 2 1 TOA H2 2 1 TOA H4 2.310 . 3.230 2.490 2.453 2.532 . 0 0 "[ . ]" 1
430 2 1 TOA H3 2 1 TOA H4 2.450 . 3.430 3.046 3.038 3.055 . 0 0 "[ . ]" 1
431 2 1 TOA H4 2 1 TOA H5 2.350 . 3.290 3.046 3.018 3.061 . 0 0 "[ . ]" 1
432 2 1 TOA H4 2 1 TOA H61 2.560 . 3.580 3.100 2.505 3.644 0.064 1 0 "[ . ]" 1
433 2 1 TOA H4 2 1 TOA H62 2.560 . 4.720 3.036 2.520 3.744 . 0 0 "[ . ]" 1
434 2 1 TOA H5 2 1 TOA H62 2.130 . 4.230 2.711 2.452 3.040 . 0 0 "[ . ]" 1
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