NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
379353 |
1hwq   |
5007 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1hwq
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 323
_Distance_constraint_stats_list.Viol_count 1043
_Distance_constraint_stats_list.Viol_total 2385.824
_Distance_constraint_stats_list.Viol_max 0.962
_Distance_constraint_stats_list.Viol_rms 0.0595
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0185
_Distance_constraint_stats_list.Viol_average_violations_only 0.1144
_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 0.126 0.021 19 0 "[ . 1 . 2]"
1 2 G 0.759 0.092 19 0 "[ . 1 . 2]"
1 3 U 2.921 0.154 10 0 "[ . 1 . 2]"
1 4 G 3.113 0.190 13 0 "[ . 1 . 2]"
1 5 C 4.666 0.322 13 0 "[ . 1 . 2]"
1 6 G 6.197 0.494 6 0 "[ . 1 . 2]"
1 7 A 10.075 0.494 6 0 "[ . 1 . 2]"
1 8 A 5.634 0.171 7 0 "[ . 1 . 2]"
1 9 G 3.619 0.344 20 0 "[ . 1 . 2]"
1 10 G 6.378 0.344 20 0 "[ . 1 . 2]"
1 11 G 5.581 0.213 4 0 "[ . 1 . 2]"
1 12 C 6.516 0.408 4 0 "[ . 1 . 2]"
1 13 G 14.896 0.484 6 0 "[ . 1 . 2]"
1 14 U 17.820 0.962 15 1 "[ . 1 + 2]"
1 15 C 16.122 0.440 4 0 "[ . 1 . 2]"
1 16 G 0.738 0.085 16 0 "[ . 1 . 2]"
1 17 U 13.811 0.962 15 1 "[ . 1 + 2]"
1 18 C 21.971 0.653 18 3 "[ . - 1 .* + 2]"
1 19 G 21.588 0.653 18 3 "[ . - 1 .* + 2]"
1 20 C 1.460 0.102 11 0 "[ . 1 . 2]"
1 21 C 1.413 0.102 11 0 "[ . 1 . 2]"
1 22 C 7.073 0.358 12 0 "[ . 1 . 2]"
1 23 C 4.389 0.171 7 0 "[ . 1 . 2]"
1 24 G 2.565 0.131 5 0 "[ . 1 . 2]"
1 25 A 5.699 0.201 8 0 "[ . 1 . 2]"
1 26 G 4.849 0.201 8 0 "[ . 1 . 2]"
1 27 C 2.926 0.267 13 0 "[ . 1 . 2]"
1 28 G 2.016 0.126 14 0 "[ . 1 . 2]"
1 29 C 2.781 0.126 14 0 "[ . 1 . 2]"
1 30 C 5.141 0.277 14 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 1 G H8 3.980 . 4.780 3.820 3.710 3.853 . 0 0 "[ . 1 . 2]" 1
2 1 1 G H1' 1 2 G H8 4.300 . 5.100 4.989 4.788 5.121 0.021 19 0 "[ . 1 . 2]" 1
3 1 1 G H2' 1 1 G H3' 3.500 . 4.300 2.405 2.393 2.414 . 0 0 "[ . 1 . 2]" 1
4 1 1 G H2' 1 1 G H8 3.600 . 4.400 3.635 3.372 3.984 . 0 0 "[ . 1 . 2]" 1
5 1 1 G H2' 1 2 G H1' 4.350 . 5.150 4.092 3.879 4.409 . 0 0 "[ . 1 . 2]" 1
6 1 1 G H2' 1 2 G H8 2.800 . 3.600 2.263 2.019 2.427 . 0 0 "[ . 1 . 2]" 1
7 1 1 G H3' 1 1 G H8 3.300 . 4.100 2.451 2.243 3.069 . 0 0 "[ . 1 . 2]" 1
8 1 1 G H3' 1 2 G H8 3.500 . 4.300 3.238 3.001 3.520 . 0 0 "[ . 1 . 2]" 1
9 1 1 G H4' 1 1 G H8 4.500 . 5.500 4.144 4.023 4.415 . 0 0 "[ . 1 . 2]" 1
10 1 1 G H8 1 2 G H8 4.400 . 5.200 4.652 4.366 5.215 0.015 9 0 "[ . 1 . 2]" 1
11 1 2 G H1 1 3 U H3 4.000 . 5.000 3.893 3.674 4.209 . 0 0 "[ . 1 . 2]" 1
12 1 2 G H1 1 28 G H1 4.000 . 5.000 3.862 3.606 4.203 . 0 0 "[ . 1 . 2]" 1
13 1 2 G H1 1 29 C H41 2.800 . 3.800 1.410 1.393 1.421 . 0 0 "[ . 1 . 2]" 1
14 1 2 G H1 1 29 C H42 2.800 . 3.800 2.945 2.916 2.967 . 0 0 "[ . 1 . 2]" 1
15 1 2 G H1' 1 2 G H8 3.790 . 4.590 3.818 3.787 3.850 . 0 0 "[ . 1 . 2]" 1
16 1 2 G H1' 1 3 U H1' 4.790 . 5.590 5.579 5.191 5.682 0.092 19 0 "[ . 1 . 2]" 1
17 1 2 G H1' 1 3 U H5 5.500 . 6.300 5.343 5.185 5.532 . 0 0 "[ . 1 . 2]" 1
18 1 2 G H1' 1 3 U H6 4.410 . 5.210 4.928 4.657 5.163 . 0 0 "[ . 1 . 2]" 1
19 1 2 G H2' 1 2 G H8 3.520 . 4.320 3.626 3.432 3.778 . 0 0 "[ . 1 . 2]" 1
20 1 2 G H2' 1 3 U H6 3.140 . 3.940 2.148 1.894 2.362 . 0 0 "[ . 1 . 2]" 1
21 1 2 G H8 1 3 U H5 4.200 . 5.000 3.238 3.072 3.398 . 0 0 "[ . 1 . 2]" 1
22 1 2 G H8 1 3 U H6 4.600 . 5.400 4.640 4.479 4.841 . 0 0 "[ . 1 . 2]" 1
23 1 3 U H1' 1 3 U H5 4.700 . 5.700 5.374 5.336 5.393 . 0 0 "[ . 1 . 2]" 1
24 1 3 U H1' 1 3 U H6 3.580 . 4.380 3.658 3.610 3.690 . 0 0 "[ . 1 . 2]" 1
25 1 3 U H1' 1 4 G H1' 4.500 . 5.300 5.380 5.231 5.454 0.154 10 0 "[ . 1 . 2]" 1
26 1 3 U H1' 1 4 G H8 4.200 . 5.000 4.563 4.401 4.667 . 0 0 "[ . 1 . 2]" 1
27 1 3 U H3 1 4 G H1 5.000 . 6.000 4.122 3.881 4.535 . 0 0 "[ . 1 . 2]" 1
28 1 3 U H3 1 28 G H1 2.000 . 3.000 2.153 1.935 2.975 . 0 0 "[ . 1 . 2]" 1
29 1 3 U H3 1 29 C H41 3.500 . 4.500 3.655 3.483 3.735 . 0 0 "[ . 1 . 2]" 1
30 1 3 U H3 1 29 C H42 3.500 . 4.500 4.508 4.311 4.599 0.099 10 0 "[ . 1 . 2]" 1
31 1 3 U H6 1 4 G H8 4.760 . 5.560 4.414 4.021 4.598 . 0 0 "[ . 1 . 2]" 1
32 1 4 G H1 1 28 G H1 5.000 . 6.000 4.352 4.048 4.701 . 0 0 "[ . 1 . 2]" 1
33 1 4 G H1' 1 4 G H8 3.520 . 4.320 3.784 3.747 3.814 . 0 0 "[ . 1 . 2]" 1
34 1 4 G H1' 1 5 C H1' 4.480 . 5.280 5.042 4.663 5.301 0.021 5 0 "[ . 1 . 2]" 1
35 1 4 G H1' 1 5 C H5 4.570 . 5.370 5.421 5.222 5.560 0.190 13 0 "[ . 1 . 2]" 1
36 1 4 G H1' 1 5 C H6 3.990 . 4.790 4.677 4.526 4.830 0.040 14 0 "[ . 1 . 2]" 1
37 1 4 G H2' 1 4 G H8 3.680 . 4.480 3.765 3.600 3.882 . 0 0 "[ . 1 . 2]" 1
38 1 4 G H2' 1 5 C H6 2.600 . 3.400 2.022 1.849 2.403 . 0 0 "[ . 1 . 2]" 1
39 1 4 G H8 1 5 C H5 4.520 . 5.320 3.622 3.006 4.130 . 0 0 "[ . 1 . 2]" 1
40 1 4 G H8 1 5 C H6 4.290 . 5.090 4.565 3.836 4.908 . 0 0 "[ . 1 . 2]" 1
41 1 5 C H1' 1 5 C H5 4.540 . 5.340 5.308 5.230 5.357 0.017 2 0 "[ . 1 . 2]" 1
42 1 5 C H1' 1 5 C H6 3.670 . 4.470 3.583 3.495 3.637 . 0 0 "[ . 1 . 2]" 1
43 1 5 C H1' 1 6 G H1' 5.000 . 5.800 4.779 4.274 5.427 . 0 0 "[ . 1 . 2]" 1
44 1 5 C H1' 1 6 G H8 4.500 . 5.300 5.172 4.835 5.397 0.097 8 0 "[ . 1 . 2]" 1
45 1 5 C H2' 1 5 C H6 2.680 . 3.480 3.622 3.526 3.802 0.322 13 0 "[ . 1 . 2]" 1
46 1 5 C H2' 1 6 G H8 2.800 . 3.800 2.497 2.128 3.171 . 0 0 "[ . 1 . 2]" 1
47 1 5 C H3' 1 5 C H6 3.330 . 4.130 2.789 2.350 3.057 . 0 0 "[ . 1 . 2]" 1
48 1 5 C H3' 1 6 G H8 3.110 . 3.910 2.652 2.200 3.081 . 0 0 "[ . 1 . 2]" 1
49 1 5 C H5 1 6 G H8 4.940 . 5.740 5.377 3.949 5.807 0.067 6 0 "[ . 1 . 2]" 1
50 1 5 C H6 1 6 G H8 4.230 . 5.030 4.352 3.462 4.751 . 0 0 "[ . 1 . 2]" 1
51 1 6 G H1 1 24 G H1 5.000 . 6.000 4.396 3.358 5.296 . 0 0 "[ . 1 . 2]" 1
52 1 6 G H1 1 26 G H1 5.000 . 6.000 5.490 4.574 6.039 0.039 19 0 "[ . 1 . 2]" 1
53 1 6 G H1' 1 6 G H8 3.580 . 4.380 3.712 3.610 3.807 . 0 0 "[ . 1 . 2]" 1
54 1 6 G H1' 1 7 A H8 3.880 . 4.680 4.309 3.020 4.629 . 0 0 "[ . 1 . 2]" 1
55 1 6 G H2' 1 6 G H8 3.830 . 4.630 3.847 3.451 4.101 . 0 0 "[ . 1 . 2]" 1
56 1 6 G H2' 1 7 A H8 4.660 . 5.460 1.919 1.670 2.162 . 0 0 "[ . 1 . 2]" 1
57 1 6 G H22 1 26 G H1 5.000 2.040 6.000 3.814 3.392 4.127 . 0 0 "[ . 1 . 2]" 1
58 1 6 G H3' 1 6 G H8 3.110 . 3.910 2.803 2.090 3.257 . 0 0 "[ . 1 . 2]" 1
59 1 6 G H8 1 7 A H8 4.200 . 5.000 5.288 5.156 5.494 0.494 6 0 "[ . 1 . 2]" 1
60 1 7 A H1' 1 7 A H2' 2.800 . 3.800 2.855 2.777 2.874 . 0 0 "[ . 1 . 2]" 1
61 1 7 A H1' 1 7 A H8 3.330 . 4.130 3.747 3.625 3.897 . 0 0 "[ . 1 . 2]" 1
62 1 7 A H1' 1 8 A H8 4.300 . 5.300 4.832 4.143 5.302 0.002 20 0 "[ . 1 . 2]" 1
63 1 7 A H1' 1 25 A H1' 5.500 . 6.300 6.245 5.545 6.394 0.094 19 0 "[ . 1 . 2]" 1
64 1 7 A H1' 1 25 A H2 2.630 . 3.430 3.278 2.518 3.579 0.149 18 0 "[ . 1 . 2]" 1
65 1 7 A H2 1 8 A H1' 2.930 . 3.730 2.695 1.961 3.263 . 0 0 "[ . 1 . 2]" 1
66 1 7 A H2 1 8 A H8 5.000 . 6.000 5.513 4.620 6.005 0.005 8 0 "[ . 1 . 2]" 1
67 1 7 A H2 1 25 A H1' 3.080 . 3.880 2.357 1.934 2.699 . 0 0 "[ . 1 . 2]" 1
68 1 7 A H2 1 25 A H8 4.000 . 5.000 4.278 3.543 4.989 . 0 0 "[ . 1 . 2]" 1
69 1 7 A H2' 1 7 A H8 2.960 . 3.760 3.877 3.484 4.076 0.316 18 0 "[ . 1 . 2]" 1
70 1 7 A H2' 1 8 A H1' 4.800 . 5.800 3.012 2.302 3.847 . 0 0 "[ . 1 . 2]" 1
71 1 7 A H2' 1 8 A H8 3.140 . 3.940 2.560 1.822 3.422 . 0 0 "[ . 1 . 2]" 1
72 1 7 A H8 1 8 A H8 4.500 . 5.500 3.820 3.210 4.995 . 0 0 "[ . 1 . 2]" 1
73 1 7 A H8 1 24 G H1 5.000 . 6.000 6.004 5.871 6.090 0.090 8 0 "[ . 1 . 2]" 1
74 1 8 A H1' 1 8 A H2 4.660 . 5.460 5.152 4.999 5.294 . 0 0 "[ . 1 . 2]" 1
75 1 8 A H1' 1 8 A H2' 4.000 . 4.800 2.806 2.781 2.862 . 0 0 "[ . 1 . 2]" 1
76 1 8 A H1' 1 8 A H8 3.050 . 3.850 3.455 3.331 3.564 . 0 0 "[ . 1 . 2]" 1
77 1 8 A H1' 1 9 G H8 3.670 . 4.470 4.438 4.331 4.568 0.098 8 0 "[ . 1 . 2]" 1
78 1 8 A H1' 1 25 A H1' 4.800 . 5.600 4.913 3.599 5.650 0.050 13 0 "[ . 1 . 2]" 1
79 1 8 A H2 1 8 A H2' 4.500 . 5.500 4.090 3.893 4.361 . 0 0 "[ . 1 . 2]" 1
80 1 8 A H2 1 9 G H1' 3.140 . 3.940 2.070 1.883 2.408 . 0 0 "[ . 1 . 2]" 1
81 1 8 A H2 1 9 G H2' 4.170 . 4.970 4.644 4.331 4.989 0.019 8 0 "[ . 1 . 2]" 1
82 1 8 A H2 1 9 G H8 4.630 . 5.430 4.484 4.040 4.981 . 0 0 "[ . 1 . 2]" 1
83 1 8 A H2 1 10 G H8 5.220 . 6.020 6.081 5.265 6.166 0.146 14 0 "[ . 1 . 2]" 1
84 1 8 A H2 1 23 C H1' 4.880 . 5.680 5.788 5.753 5.851 0.171 7 0 "[ . 1 . 2]" 1
85 1 8 A H2 1 24 G H1' 4.040 . 4.840 4.745 4.376 4.889 0.049 14 0 "[ . 1 . 2]" 1
86 1 8 A H2' 1 8 A H8 3.640 . 4.440 4.413 4.298 4.484 0.044 13 0 "[ . 1 . 2]" 1
87 1 8 A H2' 1 9 G H1' 4.500 . 5.500 3.794 3.196 4.270 . 0 0 "[ . 1 . 2]" 1
88 1 8 A H2' 1 9 G H5' 3.500 . 4.500 2.869 2.148 4.577 0.077 3 0 "[ . 1 . 2]" 1
89 1 8 A H2' 1 9 G H8 2.960 . 3.760 1.936 1.786 2.421 . 0 0 "[ . 1 . 2]" 1
90 1 8 A H3' 1 9 G H8 4.200 . 5.200 2.182 1.895 2.682 . 0 0 "[ . 1 . 2]" 1
91 1 8 A H8 1 9 G H8 4.010 . 4.810 4.752 3.928 4.891 0.081 19 0 "[ . 1 . 2]" 1
92 1 9 G H1 1 10 G H1 4.500 . 5.500 3.804 3.472 4.301 . 0 0 "[ . 1 . 2]" 1
93 1 9 G H1' 1 9 G H2' 2.800 . 3.800 2.769 2.729 2.849 . 0 0 "[ . 1 . 2]" 1
94 1 9 G H1' 1 9 G H3' 3.500 . 4.500 3.848 3.772 3.946 . 0 0 "[ . 1 . 2]" 1
95 1 9 G H1' 1 9 G H5' 5.000 . 6.000 4.647 4.418 5.247 . 0 0 "[ . 1 . 2]" 1
96 1 9 G H1' 1 9 G H8 3.730 . 4.530 3.638 3.478 3.753 . 0 0 "[ . 1 . 2]" 1
97 1 9 G H1' 1 10 G H1' 5.000 . 6.000 5.754 4.576 6.295 0.295 2 0 "[ . 1 . 2]" 1
98 1 9 G H1' 1 10 G H8 3.550 . 4.350 4.311 3.388 4.476 0.126 17 0 "[ . 1 . 2]" 1
99 1 9 G H2' 1 9 G H8 3.950 . 4.750 4.134 3.798 4.411 . 0 0 "[ . 1 . 2]" 1
100 1 9 G H2' 1 10 G H8 2.740 . 3.540 1.785 1.600 2.492 . 0 0 "[ . 1 . 2]" 1
101 1 9 G H3' 1 9 G H5' 3.500 . 4.500 3.442 2.096 3.728 . 0 0 "[ . 1 . 2]" 1
102 1 9 G H3' 1 9 G H8 3.270 . 4.070 3.165 2.700 3.687 . 0 0 "[ . 1 . 2]" 1
103 1 9 G H3' 1 10 G H8 3.270 . 4.070 2.531 1.783 3.802 . 0 0 "[ . 1 . 2]" 1
104 1 9 G H4' 1 9 G H8 3.610 . 4.410 4.196 4.018 4.407 . 0 0 "[ . 1 . 2]" 1
105 1 9 G H4' 1 10 G H8 4.420 . 5.220 4.819 4.311 5.284 0.064 7 0 "[ . 1 . 2]" 1
106 1 9 G H5' 1 9 G H8 2.800 . 3.800 3.263 2.675 3.869 0.069 5 0 "[ . 1 . 2]" 1
107 1 9 G H8 1 10 G H8 4.170 . 4.970 4.692 3.655 5.314 0.344 20 0 "[ . 1 . 2]" 1
108 1 10 G H1 1 11 G H1 4.500 . 5.500 3.543 3.261 3.898 . 0 0 "[ . 1 . 2]" 1
109 1 10 G H1 1 20 C H42 4.000 . 5.000 4.191 3.428 4.880 . 0 0 "[ . 1 . 2]" 1
110 1 10 G H1' 1 10 G H2' 3.000 . 4.000 2.810 2.774 2.867 . 0 0 "[ . 1 . 2]" 1
111 1 10 G H1' 1 10 G H3' 5.000 . 6.000 3.841 3.787 3.939 . 0 0 "[ . 1 . 2]" 1
112 1 10 G H1' 1 10 G H8 3.580 . 4.380 3.698 3.496 3.840 . 0 0 "[ . 1 . 2]" 1
113 1 10 G H1' 1 11 G H8 3.670 . 4.470 4.518 4.446 4.659 0.189 2 0 "[ . 1 . 2]" 1
114 1 10 G H2' 1 10 G H8 3.920 . 4.720 3.930 3.262 4.362 . 0 0 "[ . 1 . 2]" 1
115 1 10 G H2' 1 11 G H8 2.830 . 3.630 1.772 1.694 1.982 . 0 0 "[ . 1 . 2]" 1
116 1 10 G H3' 1 10 G H8 3.500 . 4.500 3.024 2.627 3.690 . 0 0 "[ . 1 . 2]" 1
117 1 10 G H5' 1 10 G H8 4.000 . 5.000 3.681 2.772 5.021 0.021 2 0 "[ . 1 . 2]" 1
118 1 10 G H8 1 11 G H8 4.200 . 5.000 4.937 4.155 5.130 0.130 8 0 "[ . 1 . 2]" 1
119 1 11 G H1 1 12 C H41 5.000 . 6.000 3.456 3.229 3.692 . 0 0 "[ . 1 . 2]" 1
120 1 11 G H1 1 19 G H1 4.500 . 5.500 3.046 2.390 4.138 . 0 0 "[ . 1 . 2]" 1
121 1 11 G H1 1 20 C H41 2.800 . 3.800 1.428 1.406 1.452 . 0 0 "[ . 1 . 2]" 1
122 1 11 G H1 1 20 C H42 3.500 . 4.500 2.935 2.867 2.987 . 0 0 "[ . 1 . 2]" 1
123 1 11 G H1' 1 11 G H2' 3.500 . 4.500 2.768 2.753 2.805 . 0 0 "[ . 1 . 2]" 1
124 1 11 G H1' 1 11 G H3' 3.000 . 4.000 3.851 3.819 3.877 . 0 0 "[ . 1 . 2]" 1
125 1 11 G H1' 1 11 G H8 3.270 . 4.070 3.729 3.678 3.809 . 0 0 "[ . 1 . 2]" 1
126 1 11 G H1' 1 12 C H5 4.230 . 5.030 5.081 4.894 5.187 0.157 4 0 "[ . 1 . 2]" 1
127 1 11 G H1' 1 12 C H6 3.450 . 4.250 4.367 4.306 4.463 0.213 4 0 "[ . 1 . 2]" 1
128 1 11 G H2' 1 11 G H8 3.450 . 4.250 3.978 3.732 4.147 . 0 0 "[ . 1 . 2]" 1
129 1 11 G H2' 1 12 C H1' 3.500 . 4.500 4.141 3.917 4.537 0.037 4 0 "[ . 1 . 2]" 1
130 1 11 G H2' 1 12 C H5 3.500 . 4.500 3.137 2.926 3.292 . 0 0 "[ . 1 . 2]" 1
131 1 11 G H2' 1 12 C H6 3.500 . 4.500 1.715 1.636 1.831 . 0 0 "[ . 1 . 2]" 1
132 1 11 G H3' 1 12 C H5 3.500 . 4.500 3.398 2.841 3.826 . 0 0 "[ . 1 . 2]" 1
133 1 11 G H3' 1 12 C H6 3.500 . 4.500 3.199 2.815 3.583 . 0 0 "[ . 1 . 2]" 1
134 1 11 G H5' 1 11 G H8 3.500 . 4.500 3.335 2.942 3.711 . 0 0 "[ . 1 . 2]" 1
135 1 11 G H8 1 12 C H5 4.230 . 5.030 3.983 3.198 4.463 . 0 0 "[ . 1 . 2]" 1
136 1 11 G H8 1 12 C H6 4.510 . 5.310 4.976 4.467 5.372 0.062 10 0 "[ . 1 . 2]" 1
137 1 12 C H1' 1 12 C H5 4.850 . 5.650 5.312 5.250 5.374 . 0 0 "[ . 1 . 2]" 1
138 1 12 C H1' 1 13 G H8 4.500 . 5.500 5.103 4.145 5.703 0.203 20 0 "[ . 1 . 2]" 1
139 1 12 C H2' 1 13 G H8 3.300 . 4.300 2.608 1.733 3.297 . 0 0 "[ . 1 . 2]" 1
140 1 12 C H41 1 19 G H1 3.500 . 4.500 1.413 1.363 1.520 . 0 0 "[ . 1 . 2]" 1
141 1 12 C H41 1 20 C H41 4.000 . 5.000 3.147 2.276 3.694 . 0 0 "[ . 1 . 2]" 1
142 1 12 C H5 1 13 G H8 4.250 . 5.250 5.283 4.542 5.658 0.408 4 0 "[ . 1 . 2]" 1
143 1 13 G H1 1 19 G H1 3.500 . 4.500 4.541 3.865 4.791 0.291 1 0 "[ . 1 . 2]" 1
144 1 13 G H1' 1 13 G H8 3.330 . 4.130 3.697 3.273 3.862 . 0 0 "[ . 1 . 2]" 1
145 1 13 G H1' 1 14 U H6 3.790 . 4.590 3.363 1.723 4.782 0.192 20 0 "[ . 1 . 2]" 1
146 1 13 G H2' 1 13 G H8 3.140 . 3.940 3.812 3.223 4.336 0.396 1 0 "[ . 1 . 2]" 1
147 1 13 G H2' 1 14 U H5 4.300 . 5.300 4.179 2.053 5.576 0.276 3 0 "[ . 1 . 2]" 1
148 1 13 G H2' 1 14 U H6 3.390 . 4.190 3.106 1.705 4.286 0.096 1 0 "[ . 1 . 2]" 1
149 1 13 G H3' 1 13 G H8 4.300 . 5.300 2.904 2.168 4.083 . 0 0 "[ . 1 . 2]" 1
150 1 13 G H8 1 14 U H5 3.400 . 4.200 4.146 2.756 4.542 0.342 10 0 "[ . 1 . 2]" 1
151 1 13 G H8 1 14 U H6 3.500 . 4.300 4.332 3.140 4.784 0.484 6 0 "[ . 1 . 2]" 1
152 1 14 U H1' 1 14 U H2' 3.400 . 4.200 3.052 3.021 3.066 . 0 0 "[ . 1 . 2]" 1
153 1 14 U H1' 1 14 U H6 3.580 . 4.380 3.400 3.107 3.701 . 0 0 "[ . 1 . 2]" 1
154 1 14 U H1' 1 18 C H5 4.850 . 5.650 4.620 3.049 5.686 0.036 20 0 "[ . 1 . 2]" 1
155 1 14 U H1' 1 18 C H6 5.500 . 6.300 6.357 4.861 6.578 0.278 7 0 "[ . 1 . 2]" 1
156 1 14 U H2' 1 14 U H6 2.770 . 3.570 2.343 1.695 4.027 0.457 20 0 "[ . 1 . 2]" 1
157 1 14 U H5 1 18 C H5 5.000 . 6.000 6.126 5.255 6.432 0.432 4 0 "[ . 1 . 2]" 1
158 1 14 U H6 1 17 U H5 3.500 . 5.500 5.190 2.663 6.462 0.962 15 1 "[ . 1 + 2]" 1
159 1 14 U H6 1 18 C H5 5.500 . 6.300 5.867 5.297 6.520 0.220 20 0 "[ . 1 . 2]" 1
160 1 15 C H1' 1 15 C H2' 3.500 . 4.500 2.781 2.754 2.822 . 0 0 "[ . 1 . 2]" 1
161 1 15 C H1' 1 15 C H3' 4.600 . 5.600 3.849 3.779 3.957 . 0 0 "[ . 1 . 2]" 1
162 1 15 C H1' 1 15 C H5 4.380 . 5.180 4.760 4.501 5.018 . 0 0 "[ . 1 . 2]" 1
163 1 15 C H1' 1 15 C H6 3.480 . 4.280 2.683 2.281 3.060 . 0 0 "[ . 1 . 2]" 1
164 1 15 C H1' 1 16 G H2' 4.800 . 5.800 5.433 3.691 5.884 0.084 5 0 "[ . 1 . 2]" 1
165 1 15 C H1' 1 16 G H8 4.400 . 5.400 4.248 2.301 5.335 . 0 0 "[ . 1 . 2]" 1
166 1 15 C H1' 1 17 U H1' 4.200 . 5.000 3.972 2.500 5.168 0.168 15 0 "[ . 1 . 2]" 1
167 1 15 C H1' 1 17 U H3' 4.700 . 5.700 5.733 5.432 5.977 0.277 20 0 "[ . 1 . 2]" 1
168 1 15 C H1' 1 17 U H5 5.500 . 6.500 4.424 3.083 6.810 0.310 15 0 "[ . 1 . 2]" 1
169 1 15 C H1' 1 17 U H6 5.220 . 6.020 3.928 3.003 5.407 . 0 0 "[ . 1 . 2]" 1
170 1 15 C H1' 1 19 G H1' 4.700 . 5.700 5.859 5.165 6.140 0.440 4 0 "[ . 1 . 2]" 1
171 1 15 C H2' 1 15 C H5 4.000 . 5.000 4.363 4.103 4.812 . 0 0 "[ . 1 . 2]" 1
172 1 15 C H2' 1 15 C H6 2.650 . 3.450 2.408 1.879 3.189 . 0 0 "[ . 1 . 2]" 1
173 1 15 C H2' 1 16 G H2' 4.400 . 5.400 4.122 3.221 5.092 . 0 0 "[ . 1 . 2]" 1
174 1 15 C H2' 1 16 G H8 2.870 . 3.670 3.337 2.257 3.701 0.031 12 0 "[ . 1 . 2]" 1
175 1 15 C H3' 1 15 C H5 4.400 . 5.400 5.464 4.961 5.811 0.411 13 0 "[ . 1 . 2]" 1
176 1 15 C H3' 1 16 G H8 3.500 . 4.500 4.172 3.360 4.585 0.085 16 0 "[ . 1 . 2]" 1
177 1 15 C H5 1 17 U H3' 4.700 . 5.700 4.451 2.301 5.761 0.061 4 0 "[ . 1 . 2]" 1
178 1 15 C H5 1 17 U H5 4.400 . 5.400 3.759 2.494 5.340 . 0 0 "[ . 1 . 2]" 1
179 1 15 C H5 1 17 U H6 5.500 . 6.300 2.883 2.116 3.630 . 0 0 "[ . 1 . 2]" 1
180 1 15 C H5 1 19 G H1' 4.420 . 5.420 5.331 3.980 5.748 0.328 15 0 "[ . 1 . 2]" 1
181 1 15 C H5 1 19 G H8 5.000 . 6.000 5.157 3.562 6.219 0.219 20 0 "[ . 1 . 2]" 1
182 1 15 C H6 1 16 G H8 4.600 . 5.600 5.309 4.675 5.645 0.045 4 0 "[ . 1 . 2]" 1
183 1 15 C H6 1 17 U H1' 3.950 . 4.750 3.907 3.253 4.934 0.184 15 0 "[ . 1 . 2]" 1
184 1 15 C H6 1 17 U H3' 3.520 . 4.320 3.911 3.170 4.411 0.091 13 0 "[ . 1 . 2]" 1
185 1 15 C H6 1 17 U H4' 3.500 . 4.500 3.938 2.376 4.586 0.086 16 0 "[ . 1 . 2]" 1
186 1 15 C H6 1 17 U H5 3.500 . 5.500 3.870 3.386 5.011 . 0 0 "[ . 1 . 2]" 1
187 1 15 C H6 1 19 G H1' 4.720 . 5.520 5.350 4.461 5.791 0.271 12 0 "[ . 1 . 2]" 1
188 1 16 G H1' 1 16 G H8 3.520 . 4.320 3.790 3.519 3.884 . 0 0 "[ . 1 . 2]" 1
189 1 16 G H2' 1 16 G H8 2.960 . 3.760 2.640 1.908 3.666 . 0 0 "[ . 1 . 2]" 1
190 1 17 U H1' 1 17 U H2' 3.500 . 4.500 3.056 3.040 3.069 . 0 0 "[ . 1 . 2]" 1
191 1 17 U H1' 1 17 U H3' 4.400 . 5.400 3.886 3.831 3.925 . 0 0 "[ . 1 . 2]" 1
192 1 17 U H1' 1 17 U H4' 4.500 . 5.500 3.294 3.029 3.661 . 0 0 "[ . 1 . 2]" 1
193 1 17 U H1' 1 17 U H5 4.400 . 5.400 5.295 5.141 5.410 0.010 5 0 "[ . 1 . 2]" 1
194 1 17 U H1' 1 17 U H6 3.140 . 3.940 3.548 3.314 3.702 . 0 0 "[ . 1 . 2]" 1
195 1 17 U H1' 1 19 G H1' 5.000 . 6.000 5.312 4.161 6.232 0.232 7 0 "[ . 1 . 2]" 1
196 1 17 U H1' 1 19 G H8 5.500 . 6.300 4.502 2.803 6.479 0.179 18 0 "[ . 1 . 2]" 1
197 1 17 U H2' 1 17 U H3' 3.600 . 4.600 2.346 2.288 2.404 . 0 0 "[ . 1 . 2]" 1
198 1 17 U H2' 1 17 U H5 3.500 . 4.500 4.145 3.889 4.693 0.193 15 0 "[ . 1 . 2]" 1
199 1 17 U H2' 1 17 U H6 2.520 . 3.320 1.850 1.661 2.950 . 0 0 "[ . 1 . 2]" 1
200 1 17 U H3' 1 17 U H6 3.080 . 3.880 3.987 3.604 4.199 0.319 15 0 "[ . 1 . 2]" 1
201 1 17 U H3' 1 18 C H3' 4.000 . 5.000 4.794 3.489 5.248 0.248 20 0 "[ . 1 . 2]" 1
202 1 17 U H4' 1 17 U H6 4.110 . 4.910 4.922 3.686 5.222 0.312 11 0 "[ . 1 . 2]" 1
203 1 17 U H5 1 17 U H6 3.700 . 5.700 2.406 2.359 2.420 . 0 0 "[ . 1 . 2]" 1
204 1 17 U H5 1 19 G H1' 4.400 . 5.400 3.017 1.849 5.405 0.005 15 0 "[ . 1 . 2]" 1
205 1 17 U H5 1 19 G H8 4.800 . 5.800 5.018 4.057 6.043 0.243 20 0 "[ . 1 . 2]" 1
206 1 17 U H6 1 19 G H1' 4.480 . 5.280 3.463 2.312 5.437 0.157 15 0 "[ . 1 . 2]" 1
207 1 17 U H6 1 19 G H2' 4.400 . 5.400 5.232 4.528 5.647 0.247 13 0 "[ . 1 . 2]" 1
208 1 18 C H1' 1 18 C H2' 2.900 . 3.700 3.046 3.014 3.064 . 0 0 "[ . 1 . 2]" 1
209 1 18 C H1' 1 18 C H3' 3.500 . 4.500 3.943 3.880 4.049 . 0 0 "[ . 1 . 2]" 1
210 1 18 C H1' 1 18 C H4' 4.300 . 5.300 3.392 2.889 3.836 . 0 0 "[ . 1 . 2]" 1
211 1 18 C H1' 1 19 G H4' 4.300 . 5.300 4.644 2.784 5.510 0.210 20 0 "[ . 1 . 2]" 1
212 1 18 C H2' 1 18 C H4' 4.200 . 5.200 3.870 3.834 3.929 . 0 0 "[ . 1 . 2]" 1
213 1 18 C H2' 1 18 C H5 3.390 . 4.190 4.087 3.933 4.323 0.133 16 0 "[ . 1 . 2]" 1
214 1 18 C H2' 1 18 C H6 2.590 . 3.390 1.883 1.648 2.610 . 0 0 "[ . 1 . 2]" 1
215 1 18 C H2' 1 19 G H4' 4.200 . 5.200 4.207 3.429 5.515 0.315 8 0 "[ . 1 . 2]" 1
216 1 18 C H3' 1 18 C H4' 4.000 . 5.000 2.695 2.611 2.827 . 0 0 "[ . 1 . 2]" 1
217 1 18 C H3' 1 18 C H6 4.600 . 5.600 4.155 3.563 4.702 . 0 0 "[ . 1 . 2]" 1
218 1 18 C H3' 1 19 G H4' 4.000 . 5.000 4.685 4.056 5.653 0.653 18 3 "[ . - 1 .* + 2]" 1
219 1 18 C H3' 1 19 G H8 3.500 . 4.500 3.125 1.893 4.615 0.115 8 0 "[ . 1 . 2]" 1
220 1 18 C H4' 1 18 C H5 6.000 . 7.000 7.211 6.794 7.347 0.347 6 0 "[ . 1 . 2]" 1
221 1 18 C H4' 1 18 C H5' 3.200 . 4.200 2.823 2.322 3.003 . 0 0 "[ . 1 . 2]" 1
222 1 18 C H4' 1 18 C H6 4.200 . 5.200 5.185 4.531 5.309 0.109 18 0 "[ . 1 . 2]" 1
223 1 18 C H4' 1 19 G H8 4.200 . 5.200 5.344 4.161 5.657 0.457 6 0 "[ . 1 . 2]" 1
224 1 18 C H6 1 19 G H4' 4.000 . 5.000 4.596 3.730 5.257 0.257 20 0 "[ . 1 . 2]" 1
225 1 19 G H1 1 20 C H42 4.000 . 5.000 3.713 3.381 4.017 . 0 0 "[ . 1 . 2]" 1
226 1 19 G H1' 1 19 G H2' 2.990 . 3.790 3.028 3.004 3.050 . 0 0 "[ . 1 . 2]" 1
227 1 19 G H1' 1 19 G H8 3.170 . 3.970 3.663 3.436 3.801 . 0 0 "[ . 1 . 2]" 1
228 1 19 G H2' 1 19 G H8 3.140 . 3.940 3.671 3.325 3.952 0.012 20 0 "[ . 1 . 2]" 1
229 1 19 G H4' 1 19 G H8 4.400 . 5.400 4.643 4.388 4.770 . 0 0 "[ . 1 . 2]" 1
230 1 20 C H1' 1 20 C H2' 2.800 . 3.800 2.845 2.799 2.866 . 0 0 "[ . 1 . 2]" 1
231 1 20 C H1' 1 21 C H5 4.760 . 5.560 5.435 5.294 5.586 0.026 12 0 "[ . 1 . 2]" 1
232 1 20 C H1' 1 21 C H6 4.300 . 5.100 4.591 4.241 5.116 0.016 2 0 "[ . 1 . 2]" 1
233 1 20 C H2' 1 20 C H3' 3.500 . 4.500 2.405 2.392 2.427 . 0 0 "[ . 1 . 2]" 1
234 1 20 C H2' 1 20 C H5 4.600 . 5.600 5.134 4.946 5.336 . 0 0 "[ . 1 . 2]" 1
235 1 20 C H2' 1 20 C H6 3.270 . 4.070 3.591 3.270 3.921 . 0 0 "[ . 1 . 2]" 1
236 1 20 C H3' 1 20 C H5 3.800 . 4.800 4.714 4.509 4.824 0.024 6 0 "[ . 1 . 2]" 1
237 1 20 C H3' 1 20 C H6 3.800 . 4.800 2.684 2.437 2.917 . 0 0 "[ . 1 . 2]" 1
238 1 20 C H41 1 20 C H42 2.800 . 3.800 1.656 1.644 1.663 . 0 0 "[ . 1 . 2]" 1
239 1 20 C H5 1 21 C H5 4.000 . 5.000 3.214 2.821 3.526 . 0 0 "[ . 1 . 2]" 1
240 1 20 C H5 1 21 C H6 4.000 . 5.000 5.066 4.975 5.102 0.102 11 0 "[ . 1 . 2]" 1
241 1 20 C H6 1 21 C H5 4.000 . 5.000 3.591 2.960 4.132 . 0 0 "[ . 1 . 2]" 1
242 1 21 C H6 1 22 C H5 4.540 . 5.340 4.560 3.792 5.268 . 0 0 "[ . 1 . 2]" 1
243 1 22 C H1' 1 22 C H2' 3.000 . 4.000 2.805 2.777 2.853 . 0 0 "[ . 1 . 2]" 1
244 1 22 C H1' 1 23 C H5 5.000 . 6.000 5.894 5.399 6.083 0.083 18 0 "[ . 1 . 2]" 1
245 1 22 C H1' 1 23 C H6 3.730 . 4.530 4.594 4.538 4.654 0.124 7 0 "[ . 1 . 2]" 1
246 1 22 C H2' 1 22 C H5 3.700 . 4.700 4.977 4.855 5.058 0.358 12 0 "[ . 1 . 2]" 1
247 1 22 C H2' 1 22 C H6 3.500 . 4.500 3.552 3.332 3.714 . 0 0 "[ . 1 . 2]" 1
248 1 22 C H2' 1 23 C H5 4.000 . 5.000 3.597 2.949 4.187 . 0 0 "[ . 1 . 2]" 1
249 1 22 C H2' 1 23 C H6 3.900 . 4.900 1.861 1.788 2.142 . 0 0 "[ . 1 . 2]" 1
250 1 22 C H5 1 23 C H5 4.000 . 5.000 4.047 2.743 4.914 . 0 0 "[ . 1 . 2]" 1
251 1 22 C H6 1 23 C H5 3.760 . 4.560 4.018 3.544 4.509 . 0 0 "[ . 1 . 2]" 1
252 1 23 C H1' 1 23 C H2' 2.800 . 3.800 2.795 2.778 2.826 . 0 0 "[ . 1 . 2]" 1
253 1 23 C H1' 1 24 G H8 4.170 . 4.970 4.911 4.604 5.027 0.057 19 0 "[ . 1 . 2]" 1
254 1 23 C H2' 1 23 C H3' 3.500 . 4.500 2.398 2.380 2.415 . 0 0 "[ . 1 . 2]" 1
255 1 23 C H2' 1 23 C H6 3.500 . 4.500 3.877 3.649 4.079 . 0 0 "[ . 1 . 2]" 1
256 1 23 C H2' 1 24 G H2' 3.500 . 4.500 4.348 3.911 4.605 0.105 15 0 "[ . 1 . 2]" 1
257 1 23 C H2' 1 24 G H3' 5.000 . 6.000 4.962 4.536 5.443 . 0 0 "[ . 1 . 2]" 1
258 1 23 C H2' 1 24 G H8 2.800 . 3.800 2.290 2.001 2.829 . 0 0 "[ . 1 . 2]" 1
259 1 23 C H3' 1 23 C H6 3.800 . 4.800 2.886 2.562 3.320 . 0 0 "[ . 1 . 2]" 1
260 1 23 C H5 1 24 G H8 5.310 . 6.110 5.502 4.274 6.079 . 0 0 "[ . 1 . 2]" 1
261 1 23 C H6 1 24 G H8 4.200 . 5.000 4.581 3.899 5.022 0.022 1 0 "[ . 1 . 2]" 1
262 1 24 G H1 1 24 G H21 5.000 . 6.000 2.190 2.162 2.213 . 0 0 "[ . 1 . 2]" 1
263 1 24 G H1 1 24 G H22 5.000 . 6.000 3.448 3.425 3.460 . 0 0 "[ . 1 . 2]" 1
264 1 24 G H1' 1 24 G H2' 3.300 . 4.300 3.042 3.018 3.056 . 0 0 "[ . 1 . 2]" 1
265 1 24 G H1' 1 24 G H3' 4.200 . 5.200 3.966 3.913 4.019 . 0 0 "[ . 1 . 2]" 1
266 1 24 G H1' 1 24 G H8 3.580 . 4.380 3.799 3.727 3.862 . 0 0 "[ . 1 . 2]" 1
267 1 24 G H1' 1 25 A H8 3.900 . 4.900 4.515 3.657 4.925 0.025 10 0 "[ . 1 . 2]" 1
268 1 24 G H2' 1 24 G H3' 3.500 . 4.500 2.389 2.360 2.406 . 0 0 "[ . 1 . 2]" 1
269 1 24 G H2' 1 24 G H8 2.800 . 3.600 3.097 2.684 3.443 . 0 0 "[ . 1 . 2]" 1
270 1 24 G H2' 1 25 A H8 3.950 . 4.750 4.696 4.076 4.881 0.131 5 0 "[ . 1 . 2]" 1
271 1 24 G H3' 1 24 G H8 3.500 . 4.500 4.491 4.256 4.609 0.109 8 0 "[ . 1 . 2]" 1
272 1 25 A H1' 1 25 A H2 4.970 . 5.770 4.892 4.713 5.124 . 0 0 "[ . 1 . 2]" 1
273 1 25 A H1' 1 25 A H2' 3.600 . 4.600 2.812 2.772 2.863 . 0 0 "[ . 1 . 2]" 1
274 1 25 A H1' 1 26 G H8 4.500 . 5.500 4.454 4.167 4.573 . 0 0 "[ . 1 . 2]" 1
275 1 25 A H2 1 26 G H1' 3.170 . 3.970 2.359 1.995 2.710 . 0 0 "[ . 1 . 2]" 1
276 1 25 A H2 1 26 G H2' 3.790 . 4.590 4.676 4.385 4.761 0.171 3 0 "[ . 1 . 2]" 1
277 1 25 A H2 1 26 G H8 5.070 . 5.870 5.619 4.977 5.953 0.083 8 0 "[ . 1 . 2]" 1
278 1 25 A H2' 1 25 A H8 4.800 . 5.800 4.174 3.902 4.417 . 0 0 "[ . 1 . 2]" 1
279 1 25 A H2' 1 26 G H1' 4.500 . 5.500 3.090 2.783 3.623 . 0 0 "[ . 1 . 2]" 1
280 1 25 A H2' 1 26 G H2' 4.500 . 5.500 4.796 4.587 5.053 . 0 0 "[ . 1 . 2]" 1
281 1 25 A H2' 1 26 G H3' 4.200 . 5.200 4.293 4.088 4.511 . 0 0 "[ . 1 . 2]" 1
282 1 25 A H2' 1 26 G H8 3.700 . 4.700 1.893 1.815 1.995 . 0 0 "[ . 1 . 2]" 1
283 1 25 A H3' 1 26 G H8 4.500 . 5.500 1.957 1.708 2.148 . 0 0 "[ . 1 . 2]" 1
284 1 25 A H8 1 26 G H1 5.000 2.040 6.000 6.082 6.028 6.201 0.201 8 0 "[ . 1 . 2]" 1
285 1 25 A H8 1 26 G H8 4.000 . 5.000 4.413 3.487 5.042 0.042 12 0 "[ . 1 . 2]" 1
286 1 26 G H1' 1 26 G H8 4.400 . 5.400 3.613 3.472 3.731 . 0 0 "[ . 1 . 2]" 1
287 1 26 G H1' 1 27 C H6 3.790 . 4.590 4.629 4.427 4.739 0.149 20 0 "[ . 1 . 2]" 1
288 1 26 G H2' 1 26 G H8 4.000 . 5.000 4.179 3.940 4.422 . 0 0 "[ . 1 . 2]" 1
289 1 26 G H2' 1 27 C H1' 4.500 . 5.500 4.980 4.180 5.250 . 0 0 "[ . 1 . 2]" 1
290 1 26 G H2' 1 27 C H5 3.450 . 4.250 2.105 1.800 2.998 . 0 0 "[ . 1 . 2]" 1
291 1 26 G H2' 1 27 C H6 2.990 . 3.790 2.099 1.873 2.338 . 0 0 "[ . 1 . 2]" 1
292 1 26 G H3' 1 26 G H8 4.000 . 5.000 3.281 2.971 3.888 . 0 0 "[ . 1 . 2]" 1
293 1 26 G H3' 1 27 C H5 4.000 . 5.000 2.619 1.787 3.194 . 0 0 "[ . 1 . 2]" 1
294 1 26 G H3' 1 27 C H6 4.300 . 5.300 3.468 2.064 3.747 . 0 0 "[ . 1 . 2]" 1
295 1 27 C H1' 1 27 C H2' 4.200 . 5.200 2.798 2.778 2.867 . 0 0 "[ . 1 . 2]" 1
296 1 27 C H1' 1 27 C H5 4.800 . 5.800 5.354 5.255 5.383 . 0 0 "[ . 1 . 2]" 1
297 1 27 C H1' 1 28 G H8 4.180 . 4.980 4.500 4.202 4.627 . 0 0 "[ . 1 . 2]" 1
298 1 27 C H2' 1 27 C H5 4.000 . 5.000 5.099 4.988 5.267 0.267 13 0 "[ . 1 . 2]" 1
299 1 27 C H2' 1 27 C H6 3.500 . 4.500 3.579 3.352 3.916 . 0 0 "[ . 1 . 2]" 1
300 1 27 C H2' 1 28 G H8 3.300 . 4.300 1.849 1.788 1.940 . 0 0 "[ . 1 . 2]" 1
301 1 27 C H5 1 28 G H8 5.000 . 6.000 5.121 4.639 5.840 . 0 0 "[ . 1 . 2]" 1
302 1 27 C H6 1 28 G H8 4.690 . 5.490 4.298 3.905 5.108 . 0 0 "[ . 1 . 2]" 1
303 1 28 G H1 1 29 C H41 5.000 . 6.000 3.860 3.651 4.069 . 0 0 "[ . 1 . 2]" 1
304 1 28 G H1 1 29 C H42 5.000 . 6.000 4.540 4.288 4.741 . 0 0 "[ . 1 . 2]" 1
305 1 28 G H1' 1 28 G H2' 3.500 . 4.500 2.811 2.784 2.842 . 0 0 "[ . 1 . 2]" 1
306 1 28 G H1' 1 28 G H3' 4.000 . 5.000 3.872 3.849 3.887 . 0 0 "[ . 1 . 2]" 1
307 1 28 G H1' 1 28 G H8 3.450 . 4.250 3.757 3.712 3.786 . 0 0 "[ . 1 . 2]" 1
308 1 28 G H1' 1 29 C H5 3.500 . 4.500 4.601 4.581 4.626 0.126 14 0 "[ . 1 . 2]" 1
309 1 28 G H1' 1 29 C H6 4.400 . 5.400 4.611 4.481 4.774 . 0 0 "[ . 1 . 2]" 1
310 1 28 G H2' 1 28 G H3' 3.500 . 4.500 2.401 2.395 2.413 . 0 0 "[ . 1 . 2]" 1
311 1 28 G H2' 1 28 G H8 3.300 . 4.300 3.835 3.691 3.962 . 0 0 "[ . 1 . 2]" 1
312 1 28 G H2' 1 29 C H6 3.700 . 4.700 1.841 1.735 1.956 . 0 0 "[ . 1 . 2]" 1
313 1 28 G H3' 1 28 G H8 4.300 . 5.300 2.925 2.741 3.136 . 0 0 "[ . 1 . 2]" 1
314 1 28 G H3' 1 29 C H6 4.300 . 5.300 3.166 2.981 3.313 . 0 0 "[ . 1 . 2]" 1
315 1 28 G H8 1 29 C H5 4.110 . 4.910 3.232 2.822 3.577 . 0 0 "[ . 1 . 2]" 1
316 1 28 G H8 1 29 C H6 4.300 . 5.300 4.916 4.567 5.225 . 0 0 "[ . 1 . 2]" 1
317 1 29 C H1' 1 29 C H6 4.300 . 5.300 3.595 3.561 3.632 . 0 0 "[ . 1 . 2]" 1
318 1 29 C H1' 1 30 C H6 4.500 . 5.500 5.493 5.335 5.526 0.026 16 0 "[ . 1 . 2]" 1
319 1 29 C H41 1 29 C H42 2.800 . 3.800 1.648 1.637 1.654 . 0 0 "[ . 1 . 2]" 1
320 1 30 C H1' 1 30 C H5 4.850 . 5.650 5.382 5.369 5.390 . 0 0 "[ . 1 . 2]" 1
321 1 30 C H1' 1 30 C H6 3.810 . 4.610 3.669 3.646 3.682 . 0 0 "[ . 1 . 2]" 1
322 1 30 C H2' 1 30 C H5 3.500 . 4.500 4.749 4.729 4.777 0.277 14 0 "[ . 1 . 2]" 1
323 1 30 C H2' 1 30 C H6 2.680 . 3.480 3.233 3.183 3.305 . 0 0 "[ . 1 . 2]" 1
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