NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
601815 |
2n7x   |
25826 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n7x
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 587
_Distance_constraint_stats_list.Viol_count 1578
_Distance_constraint_stats_list.Viol_total 3986.085
_Distance_constraint_stats_list.Viol_max 0.829
_Distance_constraint_stats_list.Viol_rms 0.0600
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0170
_Distance_constraint_stats_list.Viol_average_violations_only 0.1263
_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 14.128 0.296 5 0 "[ . 1 . 2]"
1 2 G 17.047 0.401 17 0 "[ . 1 . 2]"
1 3 U 12.269 0.604 12 1 "[ . 1 + . 2]"
1 4 A 8.564 0.396 6 0 "[ . 1 . 2]"
1 5 G 8.693 0.224 14 0 "[ . 1 . 2]"
1 6 U 6.451 0.178 10 0 "[ . 1 . 2]"
1 7 U 8.843 0.237 3 0 "[ . 1 . 2]"
1 8 U 6.620 0.237 3 0 "[ . 1 . 2]"
1 9 U 5.475 0.225 11 0 "[ . 1 . 2]"
1 10 G 13.817 0.474 11 0 "[ . 1 . 2]"
1 11 G 33.234 0.539 14 2 "[ - . 1 +. 2]"
1 12 C 44.179 0.829 9 20 [********+*-*********]
1 13 A 35.468 0.829 9 20 [********+*-*********]
1 14 U 9.881 0.345 4 0 "[ . 1 . 2]"
1 15 G 5.204 0.618 8 1 "[ . + 1 . 2]"
1 16 A 10.738 0.255 6 0 "[ . 1 . 2]"
1 17 C 9.208 0.255 6 0 "[ . 1 . 2]"
1 18 U 5.914 0.225 1 0 "[ . 1 . 2]"
1 19 C 12.590 0.227 9 0 "[ . 1 . 2]"
1 20 U 20.077 0.235 6 0 "[ . 1 . 2]"
1 21 A 15.272 0.235 6 0 "[ . 1 . 2]"
1 22 C 12.417 0.252 8 0 "[ . 1 . 2]"
1 23 C 14.585 0.252 8 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 H2' . . 3.500 2.709 2.698 2.715 . 0 0 "[ . 1 . 2]" 1
2 1 1 G H1' 1 1 G H3' . . 4.500 3.806 3.771 3.821 . 0 0 "[ . 1 . 2]" 1
3 1 1 G H1' 1 1 G H4' . . 4.500 3.440 3.419 3.462 . 0 0 "[ . 1 . 2]" 1
4 1 1 G H1' 1 1 G H5' . . 4.500 4.650 4.638 4.657 0.157 20 0 "[ . 1 . 2]" 1
5 1 1 G H1' 1 1 G H5'' . . 4.500 4.613 4.606 4.623 0.123 13 0 "[ . 1 . 2]" 1
6 1 1 G H1' 1 1 G H8 . . 4.500 3.794 3.787 3.802 . 0 0 "[ . 1 . 2]" 1
7 1 1 G H1' 1 2 G H8 . . 4.500 4.634 4.500 4.661 0.161 5 0 "[ . 1 . 2]" 1
8 1 1 G H2' 1 1 G H3' . . 3.500 2.369 2.361 2.374 . 0 0 "[ . 1 . 2]" 1
9 1 1 G H2' 1 1 G H4' . . 4.500 3.837 3.829 3.847 . 0 0 "[ . 1 . 2]" 1
10 1 1 G H2' 1 1 G H8 . . 3.500 3.787 3.774 3.796 0.296 5 0 "[ . 1 . 2]" 1
11 1 1 G H2' 1 2 G H1' . . 5.500 4.498 4.354 4.584 . 0 0 "[ . 1 . 2]" 1
12 1 1 G H2' 1 2 G H5' . . 4.500 3.020 2.924 4.384 . 0 0 "[ . 1 . 2]" 1
13 1 1 G H2' 1 2 G H5'' . . 4.500 4.138 3.254 4.212 . 0 0 "[ . 1 . 2]" 1
14 1 1 G H2' 1 2 G H8 . . 3.500 2.213 2.079 2.239 . 0 0 "[ . 1 . 2]" 1
15 1 1 G H3' 1 1 G H4' . . 3.500 3.016 3.013 3.019 . 0 0 "[ . 1 . 2]" 1
16 1 1 G H3' 1 1 G H8 . . 3.500 2.669 2.573 2.713 . 0 0 "[ . 1 . 2]" 1
17 1 1 G H3' 1 2 G H8 . . 3.500 3.366 3.335 3.398 . 0 0 "[ . 1 . 2]" 1
18 1 1 G H4' 1 1 G H5'' . . 3.500 2.536 2.526 2.550 . 0 0 "[ . 1 . 2]" 1
19 1 1 G H4' 1 1 G H5' . . 4.500 3.021 3.019 3.026 . 0 0 "[ . 1 . 2]" 1
20 1 1 G H4' 1 1 G H8 . . 4.500 4.165 4.137 4.179 . 0 0 "[ . 1 . 2]" 1
21 1 1 G H5' 1 1 G H8 . . 4.500 2.311 2.255 2.349 . 0 0 "[ . 1 . 2]" 1
22 1 1 G H5'' 1 1 G H8 . . 4.500 3.320 3.280 3.359 . 0 0 "[ . 1 . 2]" 1
23 1 1 G H8 1 2 G H8 . . 4.500 4.522 4.508 4.549 0.049 8 0 "[ . 1 . 2]" 1
24 1 2 G H1' 1 2 G H2' . . 3.500 2.784 2.682 2.964 . 0 0 "[ . 1 . 2]" 1
25 1 2 G H1' 1 2 G H4' . . 4.500 3.215 3.176 3.664 . 0 0 "[ . 1 . 2]" 1
26 1 2 G H1' 1 2 G H5' . . 5.500 4.726 4.697 5.011 . 0 0 "[ . 1 . 2]" 1
27 1 2 G H1' 1 2 G H5'' . . 5.500 5.092 4.161 5.178 . 0 0 "[ . 1 . 2]" 1
28 1 2 G H1' 1 2 G H8 . . 4.500 3.779 3.746 3.789 . 0 0 "[ . 1 . 2]" 1
29 1 2 G H1 1 3 U H3 . . 5.500 3.423 3.341 3.569 . 0 0 "[ . 1 . 2]" 1
30 1 2 G H1' 1 3 U H6 . . 4.500 4.664 4.576 4.733 0.233 6 0 "[ . 1 . 2]" 1
31 1 2 G H1 1 3 U H6 . . 6.500 5.607 5.393 6.052 . 0 0 "[ . 1 . 2]" 1
32 1 2 G H1 1 21 A H2' . . 6.500 6.561 6.503 6.615 0.115 15 0 "[ . 1 . 2]" 1
33 1 2 G H1 1 22 C H1' . . 5.500 5.115 5.066 5.149 . 0 0 "[ . 1 . 2]" 1
34 1 2 G H1 1 22 C H2' . . 5.500 4.738 4.673 4.767 . 0 0 "[ . 1 . 2]" 1
35 1 2 G H1 1 22 C H41 . . 3.500 2.611 2.583 2.649 . 0 0 "[ . 1 . 2]" 1
36 1 2 G H1 1 22 C H42 . . 4.500 4.149 4.125 4.186 . 0 0 "[ . 1 . 2]" 1
37 1 2 G H1 1 22 C H5 . . 5.500 5.107 5.096 5.125 . 0 0 "[ . 1 . 2]" 1
38 1 2 G H1 1 22 C H6 . . 5.500 5.700 5.689 5.710 0.210 20 0 "[ . 1 . 2]" 1
39 1 2 G H1 1 23 C H1' . . 4.500 4.521 4.509 4.555 0.055 8 0 "[ . 1 . 2]" 1
40 1 2 G H1 1 23 C H2' . . 6.500 6.119 6.078 6.145 . 0 0 "[ . 1 . 2]" 1
41 1 2 G H1 1 23 C H42 . . 5.500 4.529 4.291 4.604 . 0 0 "[ . 1 . 2]" 1
42 1 2 G H1 1 23 C H5 . . 5.500 4.401 4.092 4.478 . 0 0 "[ . 1 . 2]" 1
43 1 2 G H1 1 23 C H6 . . 5.500 4.634 4.400 4.712 . 0 0 "[ . 1 . 2]" 1
44 1 2 G H2' 1 2 G H8 . . 3.500 3.742 3.549 3.901 0.401 17 0 "[ . 1 . 2]" 1
45 1 2 G H2' 1 3 U H5 . . 4.500 3.644 2.748 3.829 . 0 0 "[ . 1 . 2]" 1
46 1 2 G H2' 1 3 U H6 . . 3.500 2.078 1.981 2.152 . 0 0 "[ . 1 . 2]" 1
47 1 2 G H4' 1 2 G H5'' . . 4.500 2.450 2.410 3.024 . 0 0 "[ . 1 . 2]" 1
48 1 2 G H4' 1 2 G H8 . . 5.500 4.408 4.201 4.434 . 0 0 "[ . 1 . 2]" 1
49 1 2 G H5' 1 2 G H5'' . . 3.000 1.774 1.768 1.777 . 0 0 "[ . 1 . 2]" 1
50 1 2 G H5' 1 2 G H8 . . 4.500 4.033 4.016 4.047 . 0 0 "[ . 1 . 2]" 1
51 1 2 G H5'' 1 2 G H8 . . 4.500 4.393 2.323 4.531 0.031 4 0 "[ . 1 . 2]" 1
52 1 2 G H8 1 3 U H6 . . 5.500 4.912 4.772 5.194 . 0 0 "[ . 1 . 2]" 1
53 1 3 U H1' 1 3 U H2' . . 3.500 2.722 2.708 2.750 . 0 0 "[ . 1 . 2]" 1
54 1 3 U H1' 1 3 U H3 . . 5.500 4.642 4.538 4.671 . 0 0 "[ . 1 . 2]" 1
55 1 3 U H1' 1 3 U H4' . . 4.500 3.515 3.253 3.569 . 0 0 "[ . 1 . 2]" 1
56 1 3 U H1' 1 3 U H5'' . . 4.500 4.580 4.535 5.104 0.604 12 1 "[ . 1 + . 2]" 1
57 1 3 U H1' 1 3 U H5' . . 5.500 5.208 4.784 5.242 . 0 0 "[ . 1 . 2]" 1
58 1 3 U H1' 1 3 U H6 . . 4.500 3.576 3.553 3.709 . 0 0 "[ . 1 . 2]" 1
59 1 3 U H1' 1 4 A H8 . . 4.500 4.686 4.581 4.896 0.396 6 0 "[ . 1 . 2]" 1
60 1 3 U H2' 1 3 U H3' . . 3.500 2.424 2.382 2.451 . 0 0 "[ . 1 . 2]" 1
61 1 3 U H2' 1 4 A H1' . . 4.500 4.114 4.043 4.187 . 0 0 "[ . 1 . 2]" 1
62 1 3 U H2' 1 4 A H8 . . 3.000 2.221 2.038 2.581 . 0 0 "[ . 1 . 2]" 1
63 1 3 U H3' 1 3 U H5 . . 4.500 4.615 4.479 4.789 0.289 6 0 "[ . 1 . 2]" 1
64 1 3 U H3' 1 3 U H6 . . 3.500 2.992 2.580 3.132 . 0 0 "[ . 1 . 2]" 1
65 1 3 U H3 1 4 A H1' . . 5.500 5.105 4.745 5.217 . 0 0 "[ . 1 . 2]" 1
66 1 3 U H3 1 4 A H2 . . 5.500 5.537 5.442 5.601 0.101 6 0 "[ . 1 . 2]" 1
67 1 3 U H3 1 4 A H61 . . 6.500 4.505 4.375 4.771 . 0 0 "[ . 1 . 2]" 1
68 1 3 U H3' 1 4 A H8 . . 3.500 2.940 2.773 3.676 0.176 8 0 "[ . 1 . 2]" 1
69 1 3 U H3 1 4 A H8 . . 6.500 4.179 3.894 4.368 . 0 0 "[ . 1 . 2]" 1
70 1 3 U H3 1 20 U H3 . . 5.500 5.416 5.343 5.521 0.021 5 0 "[ . 1 . 2]" 1
71 1 3 U H3 1 21 A H2 . . 3.500 2.755 2.715 2.835 . 0 0 "[ . 1 . 2]" 1
72 1 3 U H3 1 21 A H2' . . 6.500 6.413 6.364 6.487 . 0 0 "[ . 1 . 2]" 1
73 1 3 U H3 1 21 A H61 . . 5.500 2.403 2.294 2.461 . 0 0 "[ . 1 . 2]" 1
74 1 3 U H3 1 21 A H62 . . 5.500 3.972 3.872 4.026 . 0 0 "[ . 1 . 2]" 1
75 1 3 U H3 1 22 C H1' . . 5.500 5.505 5.335 5.526 0.026 4 0 "[ . 1 . 2]" 1
76 1 3 U H3 1 22 C H41 . . 5.500 4.344 4.226 4.718 . 0 0 "[ . 1 . 2]" 1
77 1 3 U H3 1 22 C H5 . . 6.500 6.182 6.058 6.511 0.011 8 0 "[ . 1 . 2]" 1
78 1 3 U H4' 1 3 U H6 . . 5.500 3.942 3.914 4.082 . 0 0 "[ . 1 . 2]" 1
79 1 3 U H3 1 3 U H5 . . 5.500 4.186 4.181 4.191 . 0 0 "[ . 1 . 2]" 1
80 1 3 U H5 1 3 U H6 . . 3.500 2.433 2.427 2.436 . 0 0 "[ . 1 . 2]" 1
81 1 3 U H5'' 1 3 U H6 . . 4.500 2.194 2.054 4.017 . 0 0 "[ . 1 . 2]" 1
82 1 3 U H5' 1 3 U H6 . . 5.500 3.743 3.707 3.844 . 0 0 "[ . 1 . 2]" 1
83 1 3 U H3 1 3 U H6 . . 6.500 4.820 4.817 4.822 . 0 0 "[ . 1 . 2]" 1
84 1 3 U H6 1 4 A H8 . . 5.500 4.799 4.413 5.002 . 0 0 "[ . 1 . 2]" 1
85 1 4 A H62 1 20 U H3 . . 4.500 4.145 4.075 4.187 . 0 0 "[ . 1 . 2]" 1
86 1 4 A H1' 1 4 A H2' . . 3.500 2.759 2.704 2.799 . 0 0 "[ . 1 . 2]" 1
87 1 4 A H1' 1 4 A H2 . . 5.500 4.714 4.679 4.777 . 0 0 "[ . 1 . 2]" 1
88 1 4 A H1' 1 4 A H3' . . 4.500 3.820 3.805 3.829 . 0 0 "[ . 1 . 2]" 1
89 1 4 A H1' 1 4 A H4' . . 4.500 3.423 3.266 3.614 . 0 0 "[ . 1 . 2]" 1
90 1 4 A H1' 1 4 A Q5' . . 5.500 4.242 4.140 4.290 . 0 0 "[ . 1 . 2]" 1
91 1 4 A H1' 1 4 A H8 . . 4.500 3.770 3.736 3.791 . 0 0 "[ . 1 . 2]" 1
92 1 4 A H1' 1 5 G H1' . . 5.500 5.029 4.918 5.098 . 0 0 "[ . 1 . 2]" 1
93 1 4 A H1' 1 5 G H5'' . . 6.500 6.027 6.008 6.063 . 0 0 "[ . 1 . 2]" 1
94 1 4 A H1' 1 5 G H8 . . 4.500 4.559 4.540 4.575 0.075 16 0 "[ . 1 . 2]" 1
95 1 4 A H1' 1 21 A H2 . . 3.500 3.544 3.518 3.569 0.069 10 0 "[ . 1 . 2]" 1
96 1 4 A H2' 1 4 A H3' . . 3.500 2.320 2.291 2.372 . 0 0 "[ . 1 . 2]" 1
97 1 4 A H2' 1 4 A H4' . . 4.500 3.832 3.780 3.902 . 0 0 "[ . 1 . 2]" 1
98 1 4 A H2' 1 4 A Q5' . . 4.500 4.401 4.086 4.533 0.033 19 0 "[ . 1 . 2]" 1
99 1 4 A H2' 1 4 A H8 . . 4.500 3.974 3.866 4.143 . 0 0 "[ . 1 . 2]" 1
100 1 4 A H2 1 5 G H1' . . 3.500 2.813 2.619 2.978 . 0 0 "[ . 1 . 2]" 1
101 1 4 A H2' 1 5 G H1' . . 4.500 3.863 3.730 3.934 . 0 0 "[ . 1 . 2]" 1
102 1 4 A H2 1 5 G H1 . . 5.500 5.392 5.269 5.504 0.004 1 0 "[ . 1 . 2]" 1
103 1 4 A H2 1 5 G H2' . . 5.500 4.817 4.647 4.961 . 0 0 "[ . 1 . 2]" 1
104 1 4 A H2' 1 5 G H5' . . 4.500 4.538 4.517 4.579 0.079 10 0 "[ . 1 . 2]" 1
105 1 4 A H2' 1 5 G H5'' . . 4.500 3.306 3.274 3.360 . 0 0 "[ . 1 . 2]" 1
106 1 4 A H2' 1 5 G H8 . . 3.000 2.065 2.034 2.098 . 0 0 "[ . 1 . 2]" 1
107 1 4 A H2 1 5 G H8 . . 6.500 4.584 4.462 4.683 . 0 0 "[ . 1 . 2]" 1
108 1 4 A H2 1 6 U H6 . . 6.500 6.111 6.053 6.164 . 0 0 "[ . 1 . 2]" 1
109 1 4 A H2 1 20 U H3 . . 3.500 2.727 2.669 2.823 . 0 0 "[ . 1 . 2]" 1
110 1 4 A H2 1 21 A H1' . . 3.500 3.365 3.178 3.519 0.019 8 0 "[ . 1 . 2]" 1
111 1 4 A H2 1 21 A H2 . . 5.500 4.161 4.092 4.305 . 0 0 "[ . 1 . 2]" 1
112 1 4 A H3' 1 4 A H8 . . 3.000 3.031 3.015 3.052 0.052 8 0 "[ . 1 . 2]" 1
113 1 4 A H3' 1 5 G H8 . . 3.500 3.240 2.952 3.422 . 0 0 "[ . 1 . 2]" 1
114 1 4 A H4' 1 4 A H8 . . 4.500 4.275 4.094 4.400 . 0 0 "[ . 1 . 2]" 1
115 1 4 A Q5' 1 4 A H8 . . 4.500 2.960 1.956 3.592 . 0 0 "[ . 1 . 2]" 1
116 1 4 A H61 1 20 U H3 . . 3.500 2.592 2.521 2.636 . 0 0 "[ . 1 . 2]" 1
117 1 4 A H8 1 5 G H8 . . 5.500 4.718 4.599 4.860 . 0 0 "[ . 1 . 2]" 1
118 1 5 G H1 1 5 G H21 . . 3.500 2.134 2.123 2.143 . 0 0 "[ . 1 . 2]" 1
119 1 5 G H1 1 5 G H22 . . 3.500 3.407 3.399 3.417 . 0 0 "[ . 1 . 2]" 1
120 1 5 G H1' 1 5 G H2' . . 3.500 2.711 2.700 2.720 . 0 0 "[ . 1 . 2]" 1
121 1 5 G H1 1 5 G H2' . . 5.500 5.458 5.435 5.477 . 0 0 "[ . 1 . 2]" 1
122 1 5 G H1' 1 5 G H3' . . 4.500 3.816 3.802 3.838 . 0 0 "[ . 1 . 2]" 1
123 1 5 G H1' 1 5 G H4' . . 4.500 3.595 3.521 3.700 . 0 0 "[ . 1 . 2]" 1
124 1 5 G H1' 1 5 G H5' . . 5.500 5.245 5.237 5.252 . 0 0 "[ . 1 . 2]" 1
125 1 5 G H1' 1 5 G H5'' . . 5.500 4.498 4.399 4.552 . 0 0 "[ . 1 . 2]" 1
126 1 5 G H1' 1 5 G H8 . . 4.500 3.630 3.612 3.647 . 0 0 "[ . 1 . 2]" 1
127 1 5 G H1 1 6 U H1' . . 5.500 3.983 3.868 4.072 . 0 0 "[ . 1 . 2]" 1
128 1 5 G H1 1 6 U H3 . . 5.500 3.899 3.813 3.957 . 0 0 "[ . 1 . 2]" 1
129 1 5 G H1' 1 6 U H5 . . 5.500 5.166 5.143 5.192 . 0 0 "[ . 1 . 2]" 1
130 1 5 G H1' 1 6 U H6 . . 4.500 4.561 4.516 4.607 0.107 18 0 "[ . 1 . 2]" 1
131 1 5 G H1 1 18 U H3 . . 5.500 4.439 4.180 4.672 . 0 0 "[ . 1 . 2]" 1
132 1 5 G H1 1 19 C H1' . . 5.500 5.336 5.286 5.419 . 0 0 "[ . 1 . 2]" 1
133 1 5 G H1 1 19 C H2' . . 5.500 4.966 4.895 5.000 . 0 0 "[ . 1 . 2]" 1
134 1 5 G H1 1 19 C H41 . . 4.500 2.240 2.218 2.257 . 0 0 "[ . 1 . 2]" 1
135 1 5 G H1 1 19 C H42 . . 4.500 3.814 3.790 3.835 . 0 0 "[ . 1 . 2]" 1
136 1 5 G H1 1 19 C H5 . . 5.500 4.949 4.923 4.973 . 0 0 "[ . 1 . 2]" 1
137 1 5 G H1 1 19 C H6 . . 5.500 5.711 5.701 5.724 0.224 14 0 "[ . 1 . 2]" 1
138 1 5 G H1 1 20 U H1' . . 5.500 5.086 5.057 5.101 . 0 0 "[ . 1 . 2]" 1
139 1 5 G H1 1 20 U H3 . . 5.500 3.996 3.858 4.128 . 0 0 "[ . 1 . 2]" 1
140 1 5 G H1' 1 20 U H3 . . 5.500 5.164 5.049 5.249 . 0 0 "[ . 1 . 2]" 1
141 1 5 G H1 1 20 U H5 . . 5.500 3.874 3.764 3.963 . 0 0 "[ . 1 . 2]" 1
142 1 5 G H1 1 20 U H6 . . 5.500 4.498 4.442 4.556 . 0 0 "[ . 1 . 2]" 1
143 1 5 G H21 1 6 U H1' . . 5.500 2.774 2.689 2.874 . 0 0 "[ . 1 . 2]" 1
144 1 5 G H21 1 6 U H3 . . 6.500 5.101 5.047 5.155 . 0 0 "[ . 1 . 2]" 1
145 1 5 G H21 1 19 C H2' . . 6.500 3.722 3.630 3.770 . 0 0 "[ . 1 . 2]" 1
146 1 5 G H21 1 19 C H41 . . 5.500 4.237 4.222 4.247 . 0 0 "[ . 1 . 2]" 1
147 1 5 G H21 1 19 C H42 . . 5.500 5.555 5.547 5.566 0.066 14 0 "[ . 1 . 2]" 1
148 1 5 G H21 1 20 U H1' . . 5.500 3.318 3.259 3.347 . 0 0 "[ . 1 . 2]" 1
149 1 5 G H21 1 20 U H3 . . 6.500 4.382 4.317 4.461 . 0 0 "[ . 1 . 2]" 1
150 1 5 G H21 1 20 U H6 . . 6.500 3.450 3.321 3.539 . 0 0 "[ . 1 . 2]" 1
151 1 5 G H22 1 6 U H1' . . 5.500 2.839 2.740 2.947 . 0 0 "[ . 1 . 2]" 1
152 1 5 G H22 1 6 U H3 . . 6.500 6.093 6.035 6.130 . 0 0 "[ . 1 . 2]" 1
153 1 5 G H22 1 19 C H1' . . 6.500 5.627 5.533 5.854 . 0 0 "[ . 1 . 2]" 1
154 1 5 G H22 1 19 C H2' . . 5.500 4.934 4.821 4.986 . 0 0 "[ . 1 . 2]" 1
155 1 5 G H22 1 19 C H41 . . 6.500 5.629 5.597 5.650 . 0 0 "[ . 1 . 2]" 1
156 1 5 G H22 1 20 U H1' . . 5.500 2.545 2.398 2.665 . 0 0 "[ . 1 . 2]" 1
157 1 5 G H22 1 20 U H3 . . 5.500 4.531 4.476 4.589 . 0 0 "[ . 1 . 2]" 1
158 1 5 G H2' 1 5 G H3' . . 3.500 2.417 2.401 2.427 . 0 0 "[ . 1 . 2]" 1
159 1 5 G H2' 1 5 G H5'' . . 4.500 4.430 4.336 4.487 . 0 0 "[ . 1 . 2]" 1
160 1 5 G H2' 1 5 G H8 . . 4.500 4.407 4.366 4.458 . 0 0 "[ . 1 . 2]" 1
161 1 5 G H2' 1 6 U H5 . . 4.500 3.562 3.524 3.610 . 0 0 "[ . 1 . 2]" 1
162 1 5 G H2' 1 6 U H6 . . 3.500 2.067 2.031 2.125 . 0 0 "[ . 1 . 2]" 1
163 1 5 G H3' 1 5 G H5' . . 5.500 2.785 2.711 2.833 . 0 0 "[ . 1 . 2]" 1
164 1 5 G H3' 1 5 G H8 . . 3.500 3.461 3.388 3.552 0.052 9 0 "[ . 1 . 2]" 1
165 1 5 G H3' 1 6 U H5 . . 4.500 2.795 2.600 2.911 . 0 0 "[ . 1 . 2]" 1
166 1 5 G H3' 1 6 U H6 . . 4.500 2.879 2.708 3.008 . 0 0 "[ . 1 . 2]" 1
167 1 5 G H4' 1 5 G H8 . . 4.500 4.267 4.188 4.316 . 0 0 "[ . 1 . 2]" 1
168 1 5 G H5'' 1 5 G H8 . . 4.500 2.403 2.193 2.537 . 0 0 "[ . 1 . 2]" 1
169 1 5 G H5' 1 5 G H8 . . 5.500 4.087 3.894 4.207 . 0 0 "[ . 1 . 2]" 1
170 1 5 G H8 1 6 U H5 . . 5.500 3.897 3.773 3.966 . 0 0 "[ . 1 . 2]" 1
171 1 6 U H1' 1 6 U H2' . . 3.500 2.720 2.693 2.728 . 0 0 "[ . 1 . 2]" 1
172 1 6 U H1' 1 6 U H3' . . 4.500 3.773 3.670 3.791 . 0 0 "[ . 1 . 2]" 1
173 1 6 U H1' 1 6 U H3 . . 5.500 4.636 4.612 4.657 . 0 0 "[ . 1 . 2]" 1
174 1 6 U H1' 1 6 U H4' . . 4.500 3.472 3.423 3.491 . 0 0 "[ . 1 . 2]" 1
175 1 6 U H1' 1 6 U H6 . . 4.500 3.578 3.559 3.598 . 0 0 "[ . 1 . 2]" 1
176 1 6 U H1' 1 7 U H6 . . 4.500 4.650 4.624 4.678 0.178 10 0 "[ . 1 . 2]" 1
177 1 6 U H2' 1 6 U H6 . . 4.500 4.096 4.023 4.174 . 0 0 "[ . 1 . 2]" 1
178 1 6 U H2' 1 7 U H5 . . 4.500 3.862 3.750 3.944 . 0 0 "[ . 1 . 2]" 1
179 1 6 U H2' 1 7 U H5' . . 4.500 4.515 4.330 4.559 0.059 17 0 "[ . 1 . 2]" 1
180 1 6 U H2' 1 7 U H5'' . . 4.500 3.360 2.831 3.470 . 0 0 "[ . 1 . 2]" 1
181 1 6 U H2' 1 7 U H6 . . 3.500 2.188 2.080 2.265 . 0 0 "[ . 1 . 2]" 1
182 1 6 U H2' 1 6 U H3' . . 3.500 2.410 2.397 2.458 . 0 0 "[ . 1 . 2]" 1
183 1 6 U H3' 1 6 U H5 . . 4.500 4.521 4.355 4.545 0.045 12 0 "[ . 1 . 2]" 1
184 1 6 U H3' 1 6 U H6 . . 3.500 2.906 2.761 2.945 . 0 0 "[ . 1 . 2]" 1
185 1 6 U H3' 1 7 U H5 . . 4.500 4.522 4.209 4.591 0.091 4 0 "[ . 1 . 2]" 1
186 1 6 U H3' 1 7 U H6 . . 4.500 3.837 3.439 3.983 . 0 0 "[ . 1 . 2]" 1
187 1 6 U H3 1 7 U H6 . . 5.500 4.307 4.012 4.495 . 0 0 "[ . 1 . 2]" 1
188 1 6 U H3 1 18 U H3 . . 3.500 2.710 2.615 2.809 . 0 0 "[ . 1 . 2]" 1
189 1 6 U H3 1 19 C H1' . . 6.500 6.058 6.024 6.088 . 0 0 "[ . 1 . 2]" 1
190 1 6 U H3 1 19 C H41 . . 5.500 3.994 3.740 4.160 . 0 0 "[ . 1 . 2]" 1
191 1 6 U H3 1 19 C H42 . . 5.500 4.804 4.522 5.018 . 0 0 "[ . 1 . 2]" 1
192 1 6 U H3 1 19 C H5 . . 6.500 5.673 5.454 5.879 . 0 0 "[ . 1 . 2]" 1
193 1 6 U H4' 1 6 U H6 . . 4.500 3.957 3.940 4.013 . 0 0 "[ . 1 . 2]" 1
194 1 6 U H3 1 6 U H5 . . 5.500 4.186 4.181 4.193 . 0 0 "[ . 1 . 2]" 1
195 1 6 U H5 1 6 U H6 . . 3.500 2.427 2.425 2.431 . 0 0 "[ . 1 . 2]" 1
196 1 6 U H5'' 1 6 U H6 . . 4.500 3.945 3.913 4.043 . 0 0 "[ . 1 . 2]" 1
197 1 6 U H6 1 7 U H5 . . 6.500 5.708 5.200 5.965 . 0 0 "[ . 1 . 2]" 1
198 1 7 U H1' 1 7 U H2' . . 3.500 2.710 2.699 2.753 . 0 0 "[ . 1 . 2]" 1
199 1 7 U H1' 1 7 U H3' . . 4.500 3.848 3.822 3.869 . 0 0 "[ . 1 . 2]" 1
200 1 7 U H1' 1 7 U H4' . . 4.500 3.568 3.323 3.637 . 0 0 "[ . 1 . 2]" 1
201 1 7 U H1' 1 7 U H5'' . . 4.500 4.535 4.511 4.581 0.081 14 0 "[ . 1 . 2]" 1
202 1 7 U H1' 1 7 U H6 . . 3.500 3.509 3.492 3.567 0.067 14 0 "[ . 1 . 2]" 1
203 1 7 U H1' 1 8 U H6 . . 4.500 4.670 4.628 4.737 0.237 3 0 "[ . 1 . 2]" 1
204 1 7 U H2' 1 7 U H3' . . 3.500 2.376 2.343 2.422 . 0 0 "[ . 1 . 2]" 1
205 1 7 U H2' 1 7 U H6 . . 4.500 4.171 4.040 4.210 . 0 0 "[ . 1 . 2]" 1
206 1 7 U H2' 1 8 U H1' . . 4.500 3.887 3.758 4.074 . 0 0 "[ . 1 . 2]" 1
207 1 7 U H2' 1 8 U H5 . . 4.500 3.650 3.379 3.772 . 0 0 "[ . 1 . 2]" 1
208 1 7 U H2' 1 8 U H6 . . 3.500 2.021 1.971 2.052 . 0 0 "[ . 1 . 2]" 1
209 1 7 U H3' 1 7 U H4' . . 4.500 2.999 2.987 3.019 . 0 0 "[ . 1 . 2]" 1
210 1 7 U H3' 1 7 U H6 . . 3.500 3.297 3.093 3.393 . 0 0 "[ . 1 . 2]" 1
211 1 7 U H3' 1 8 U H5 . . 4.500 3.082 2.852 3.495 . 0 0 "[ . 1 . 2]" 1
212 1 7 U H5 1 7 U H6 . . 3.500 2.433 2.430 2.438 . 0 0 "[ . 1 . 2]" 1
213 1 8 U H1' 1 8 U H2' . . 3.500 2.728 2.704 2.755 . 0 0 "[ . 1 . 2]" 1
214 1 8 U H1' 1 8 U H3' . . 4.500 3.800 3.778 3.831 . 0 0 "[ . 1 . 2]" 1
215 1 8 U H1' 1 8 U H4' . . 4.500 3.398 3.298 3.579 . 0 0 "[ . 1 . 2]" 1
216 1 8 U H1' 1 8 U H6 . . 4.500 3.612 3.551 3.649 . 0 0 "[ . 1 . 2]" 1
217 1 8 U H1' 1 9 U H6 . . 4.500 4.659 4.611 4.725 0.225 11 0 "[ . 1 . 2]" 1
218 1 8 U H1' 1 16 A H2 . . 5.500 5.154 5.053 5.252 . 0 0 "[ . 1 . 2]" 1
219 1 8 U H2' 1 8 U H3' . . 3.500 2.418 2.381 2.438 . 0 0 "[ . 1 . 2]" 1
220 1 8 U H2' 1 8 U H4' . . 4.500 3.808 3.778 3.886 . 0 0 "[ . 1 . 2]" 1
221 1 8 U H2' 1 8 U H6 . . 4.500 4.013 3.839 4.140 . 0 0 "[ . 1 . 2]" 1
222 1 8 U H2' 1 9 U H1' . . 4.500 4.241 3.728 4.524 0.024 18 0 "[ . 1 . 2]" 1
223 1 8 U H2' 1 9 U H5 . . 4.500 3.830 3.762 4.129 . 0 0 "[ . 1 . 2]" 1
224 1 8 U H2' 1 9 U H6 . . 3.500 2.110 2.059 2.184 . 0 0 "[ . 1 . 2]" 1
225 1 8 U H3' 1 8 U H5 . . 5.500 4.594 4.526 4.694 . 0 0 "[ . 1 . 2]" 1
226 1 8 U H3' 1 8 U H6 . . 3.500 2.886 2.738 3.128 . 0 0 "[ . 1 . 2]" 1
227 1 8 U H3 1 9 U H1' . . 6.500 4.546 3.810 4.865 . 0 0 "[ . 1 . 2]" 1
228 1 8 U H3 1 9 U H3 . . 6.500 4.037 3.675 4.325 . 0 0 "[ . 1 . 2]" 1
229 1 8 U H3 1 9 U H5 . . 6.500 4.036 3.784 4.611 . 0 0 "[ . 1 . 2]" 1
230 1 8 U H3' 1 9 U H6 . . 4.500 3.224 2.925 3.411 . 0 0 "[ . 1 . 2]" 1
231 1 8 U H3 1 16 A H61 . . 5.500 2.216 2.100 2.329 . 0 0 "[ . 1 . 2]" 1
232 1 8 U H3 1 16 A H62 . . 5.500 3.792 3.679 3.912 . 0 0 "[ . 1 . 2]" 1
233 1 8 U H3 1 17 C H1' . . 6.500 4.520 4.268 4.876 . 0 0 "[ . 1 . 2]" 1
234 1 8 U H4' 1 8 U H6 . . 4.500 4.023 3.913 4.069 . 0 0 "[ . 1 . 2]" 1
235 1 8 U H5 1 8 U H6 . . 3.500 2.444 2.441 2.448 . 0 0 "[ . 1 . 2]" 1
236 1 8 U H6 1 9 U H5 . . 5.500 4.436 4.152 4.889 . 0 0 "[ . 1 . 2]" 1
237 1 9 U H1' 1 9 U H2' . . 3.500 2.747 2.696 2.777 . 0 0 "[ . 1 . 2]" 1
238 1 9 U H1' 1 9 U H3' . . 5.500 3.814 3.775 3.844 . 0 0 "[ . 1 . 2]" 1
239 1 9 U H1' 1 9 U H4' . . 4.500 3.334 3.276 3.573 . 0 0 "[ . 1 . 2]" 1
240 1 9 U H1' 1 9 U H5' . . 5.500 4.817 4.734 5.264 . 0 0 "[ . 1 . 2]" 1
241 1 9 U H1' 1 9 U H5'' . . 5.500 5.134 4.559 5.217 . 0 0 "[ . 1 . 2]" 1
242 1 9 U H1' 1 9 U H6 . . 4.500 3.612 3.507 3.647 . 0 0 "[ . 1 . 2]" 1
243 1 9 U H1' 1 16 A H2 . . 3.500 2.581 2.286 2.726 . 0 0 "[ . 1 . 2]" 1
244 1 9 U H2' 1 9 U H6 . . 4.500 3.910 3.793 4.186 . 0 0 "[ . 1 . 2]" 1
245 1 9 U H2' 1 10 G H8 . . 3.500 2.773 1.918 3.533 0.033 10 0 "[ . 1 . 2]" 1
246 1 9 U H2' 1 16 A H2 . . 5.500 4.974 4.479 5.076 . 0 0 "[ . 1 . 2]" 1
247 1 9 U H3' 1 9 U H5 . . 4.500 4.608 4.471 4.691 0.191 9 0 "[ . 1 . 2]" 1
248 1 9 U H3' 1 9 U H5' . . 4.500 3.644 2.838 3.775 . 0 0 "[ . 1 . 2]" 1
249 1 9 U H3' 1 9 U H6 . . 3.500 2.852 2.666 3.128 . 0 0 "[ . 1 . 2]" 1
250 1 9 U H3' 1 10 G H8 . . 4.500 2.554 2.232 3.292 . 0 0 "[ . 1 . 2]" 1
251 1 9 U H3 1 15 G H1 . . 4.500 2.510 2.202 2.832 . 0 0 "[ . 1 . 2]" 1
252 1 9 U H3 1 15 G H21 . . 5.500 4.605 4.244 5.002 . 0 0 "[ . 1 . 2]" 1
253 1 9 U H4' 1 9 U H5' . . 3.500 2.433 2.336 2.468 . 0 0 "[ . 1 . 2]" 1
254 1 9 U H4' 1 9 U H5'' . . 3.500 2.477 2.393 3.038 . 0 0 "[ . 1 . 2]" 1
255 1 9 U H4' 1 9 U H6 . . 5.500 4.040 3.886 4.068 . 0 0 "[ . 1 . 2]" 1
256 1 9 U H4' 1 10 G H8 . . 5.500 5.150 4.934 5.297 . 0 0 "[ . 1 . 2]" 1
257 1 9 U H5'' 1 9 U H6 . . 4.500 3.868 2.199 4.076 . 0 0 "[ . 1 . 2]" 1
258 1 9 U H5' 1 9 U H6 . . 5.500 3.642 3.477 3.827 . 0 0 "[ . 1 . 2]" 1
259 1 9 U H5 1 10 G H8 . . 6.500 5.550 4.566 6.019 . 0 0 "[ . 1 . 2]" 1
260 1 9 U H5 1 9 U H6 . . 3.500 2.431 2.427 2.436 . 0 0 "[ . 1 . 2]" 1
261 1 9 U H6 1 10 G H8 . . 5.500 4.699 3.907 5.144 . 0 0 "[ . 1 . 2]" 1
262 1 10 G H1' 1 10 G H2' . . 3.500 3.004 2.978 3.029 . 0 0 "[ . 1 . 2]" 1
263 1 10 G H1' 1 10 G H3' . . 4.500 3.933 3.872 3.981 . 0 0 "[ . 1 . 2]" 1
264 1 10 G H1' 1 10 G H4' . . 3.500 3.642 3.503 3.712 0.212 19 0 "[ . 1 . 2]" 1
265 1 10 G H1' 1 10 G H5'' . . 4.500 4.262 4.149 4.854 0.354 11 0 "[ . 1 . 2]" 1
266 1 10 G H1' 1 10 G H5' . . 5.500 4.989 4.871 5.102 . 0 0 "[ . 1 . 2]" 1
267 1 10 G H1' 1 10 G H8 . . 4.500 3.830 3.741 3.895 . 0 0 "[ . 1 . 2]" 1
268 1 10 G H1' 1 11 G H5' . . 4.500 4.363 4.053 4.550 0.050 14 0 "[ . 1 . 2]" 1
269 1 10 G H1' 1 11 G H8 . . 4.500 4.685 4.586 4.741 0.241 7 0 "[ . 1 . 2]" 1
270 1 10 G H1' 1 15 G H1 . . 5.500 5.123 4.066 5.557 0.057 8 0 "[ . 1 . 2]" 1
271 1 10 G H2' 1 10 G H8 . . 3.500 3.244 2.744 3.519 0.019 14 0 "[ . 1 . 2]" 1
272 1 10 G H2' 1 11 G H8 . . 4.500 3.754 2.857 4.059 . 0 0 "[ . 1 . 2]" 1
273 1 10 G H2' 1 12 C H5 . . 4.500 4.640 4.286 4.734 0.234 4 0 "[ . 1 . 2]" 1
274 1 10 G H3' 1 10 G H4' . . 4.500 2.682 2.662 2.709 . 0 0 "[ . 1 . 2]" 1
275 1 10 G H3' 1 10 G H8 . . 4.500 4.613 4.449 4.772 0.272 4 0 "[ . 1 . 2]" 1
276 1 10 G H4' 1 10 G H8 . . 5.000 4.210 4.090 4.481 . 0 0 "[ . 1 . 2]" 1
277 1 10 G H4' 1 10 G H5' . . 4.500 2.476 2.333 2.639 . 0 0 "[ . 1 . 2]" 1
278 1 10 G H5'' 1 10 G H8 . . 3.500 2.506 2.139 3.974 0.474 11 0 "[ . 1 . 2]" 1
279 1 10 G H5' 1 10 G H8 . . 4.500 3.863 3.616 3.990 . 0 0 "[ . 1 . 2]" 1
280 1 10 G H8 1 12 C H5 . . 6.500 5.994 5.662 6.195 . 0 0 "[ . 1 . 2]" 1
281 1 11 G H1' 1 11 G H2' . . 3.500 3.046 3.031 3.049 . 0 0 "[ . 1 . 2]" 1
282 1 11 G H1' 1 11 G H3' . . 4.500 3.831 3.819 3.895 . 0 0 "[ . 1 . 2]" 1
283 1 11 G H1' 1 11 G H4' . . 4.500 3.329 3.287 3.445 . 0 0 "[ . 1 . 2]" 1
284 1 11 G H1' 1 11 G H5' . . 5.500 4.841 4.811 4.876 . 0 0 "[ . 1 . 2]" 1
285 1 11 G H1' 1 11 G H5'' . . 5.500 4.964 4.947 5.002 . 0 0 "[ . 1 . 2]" 1
286 1 11 G H1' 1 11 G H8 . . 4.500 3.858 3.830 3.867 . 0 0 "[ . 1 . 2]" 1
287 1 11 G H1' 1 12 C H2' . . 4.500 3.471 3.175 4.886 0.386 14 0 "[ . 1 . 2]" 1
288 1 11 G H1' 1 12 C H6 . . 5.000 3.576 3.277 3.884 . 0 0 "[ . 1 . 2]" 1
289 1 11 G H1' 1 13 A H8 . . 6.500 6.614 5.709 6.739 0.239 11 0 "[ . 1 . 2]" 1
290 1 11 G H2' 1 11 G H8 . . 3.500 2.920 2.841 3.099 . 0 0 "[ . 1 . 2]" 1
291 1 11 G H2' 1 12 C H5' . . 5.500 5.517 5.405 5.678 0.178 14 0 "[ . 1 . 2]" 1
292 1 11 G H2' 1 12 C H5'' . . 5.500 4.538 4.336 4.612 . 0 0 "[ . 1 . 2]" 1
293 1 11 G H2' 1 12 C H5 . . 5.500 5.443 5.316 5.539 0.039 11 0 "[ . 1 . 2]" 1
294 1 11 G H2' 1 12 C H6 . . 4.500 4.962 4.884 5.039 0.539 14 2 "[ - . 1 +. 2]" 1
295 1 11 G H3' 1 11 G H4' . . 3.500 2.732 2.705 2.744 . 0 0 "[ . 1 . 2]" 1
296 1 11 G H3' 1 11 G H5' . . 3.500 3.537 3.515 3.559 0.059 3 0 "[ . 1 . 2]" 1
297 1 11 G H3' 1 11 G H5'' . . 3.500 2.262 2.221 2.318 . 0 0 "[ . 1 . 2]" 1
298 1 11 G H3' 1 11 G H8 . . 4.500 4.642 4.590 4.727 0.227 6 0 "[ . 1 . 2]" 1
299 1 11 G H3' 1 12 C H5 . . 5.000 5.270 5.159 5.354 0.354 8 0 "[ . 1 . 2]" 1
300 1 11 G H3' 1 12 C H5' . . 5.500 4.853 4.777 5.019 . 0 0 "[ . 1 . 2]" 1
301 1 11 G H3' 1 12 C H5'' . . 5.500 4.108 3.857 4.208 . 0 0 "[ . 1 . 2]" 1
302 1 11 G H3' 1 12 C H6 . . 4.500 4.726 4.702 4.793 0.293 19 0 "[ . 1 . 2]" 1
303 1 11 G H4' 1 11 G H5' . . 3.500 2.367 2.343 2.408 . 0 0 "[ . 1 . 2]" 1
304 1 11 G H4' 1 11 G H5'' . . 3.500 2.512 2.465 2.542 . 0 0 "[ . 1 . 2]" 1
305 1 11 G H4' 1 11 G H8 . . 4.500 4.570 4.445 4.609 0.109 15 0 "[ . 1 . 2]" 1
306 1 11 G H4' 1 12 C H5'' . . 4.500 2.369 2.264 2.546 . 0 0 "[ . 1 . 2]" 1
307 1 11 G H4' 1 12 C H5' . . 5.500 3.727 3.650 3.866 . 0 0 "[ . 1 . 2]" 1
308 1 11 G H4' 1 12 C H5 . . 6.000 3.336 3.073 3.609 . 0 0 "[ . 1 . 2]" 1
309 1 11 G H4' 1 12 C H6 . . 5.000 2.218 2.160 2.400 . 0 0 "[ . 1 . 2]" 1
310 1 11 G H5'' 1 11 G H8 . . 4.500 4.534 4.353 4.594 0.094 9 0 "[ . 1 . 2]" 1
311 1 11 G H5' 1 11 G H8 . . 5.000 3.942 3.711 4.039 . 0 0 "[ . 1 . 2]" 1
312 1 11 G H8 1 12 C H5 . . 5.000 4.207 3.982 4.342 . 0 0 "[ . 1 . 2]" 1
313 1 11 G H8 1 12 C H6 . . 6.000 4.433 3.932 4.619 . 0 0 "[ . 1 . 2]" 1
314 1 12 C H1' 1 12 C H2' . . 3.500 3.042 2.873 3.085 . 0 0 "[ . 1 . 2]" 1
315 1 12 C H1' 1 12 C H3' . . 4.500 3.892 3.836 3.926 . 0 0 "[ . 1 . 2]" 1
316 1 12 C H1' 1 12 C H4' . . 4.500 3.420 3.149 3.509 . 0 0 "[ . 1 . 2]" 1
317 1 12 C H1' 1 12 C H6 . . 4.000 3.757 3.729 3.767 . 0 0 "[ . 1 . 2]" 1
318 1 12 C H1' 1 13 A H2 . . 6.500 7.211 7.006 7.329 0.829 9 20 [********+*-*********] 1
319 1 12 C H1' 1 13 A H8 . . 5.500 2.623 2.269 4.513 . 0 0 "[ . 1 . 2]" 1
320 1 12 C H2' 1 12 C H5 . . 6.000 4.249 4.180 4.391 . 0 0 "[ . 1 . 2]" 1
321 1 12 C H2' 1 12 C H6 . . 3.500 2.130 1.888 2.570 . 0 0 "[ . 1 . 2]" 1
322 1 12 C H2' 1 13 A H8 . . 5.000 4.477 4.246 4.707 . 0 0 "[ . 1 . 2]" 1
323 1 12 C H2' 1 12 C H3' . . 3.500 2.316 2.242 2.352 . 0 0 "[ . 1 . 2]" 1
324 1 12 C H3' 1 12 C H4' . . 4.500 2.751 2.720 3.008 . 0 0 "[ . 1 . 2]" 1
325 1 12 C H3' 1 12 C H5' . . 4.500 2.611 2.525 3.275 . 0 0 "[ . 1 . 2]" 1
326 1 12 C H3' 1 12 C H5'' . . 4.500 2.409 2.129 2.509 . 0 0 "[ . 1 . 2]" 1
327 1 12 C H3' 1 12 C H6 . . 4.000 3.811 2.147 3.999 . 0 0 "[ . 1 . 2]" 1
328 1 12 C H3' 1 13 A H8 . . 4.500 3.908 3.765 4.281 . 0 0 "[ . 1 . 2]" 1
329 1 12 C H4' 1 12 C H5' . . 3.500 2.390 2.363 2.411 . 0 0 "[ . 1 . 2]" 1
330 1 12 C H4' 1 12 C H5'' . . 3.500 2.996 2.936 3.014 . 0 0 "[ . 1 . 2]" 1
331 1 12 C H4' 1 12 C H6 . . 5.000 4.486 4.297 4.740 . 0 0 "[ . 1 . 2]" 1
332 1 12 C H4' 1 13 A H3' . . 5.500 5.642 5.129 5.815 0.315 14 0 "[ . 1 . 2]" 1
333 1 12 C H4' 1 13 A H8 . . 4.500 2.116 1.941 2.281 . 0 0 "[ . 1 . 2]" 1
334 1 12 C H5' 1 12 C H6 . . 4.500 4.261 3.985 4.656 0.156 14 0 "[ . 1 . 2]" 1
335 1 12 C H5'' 1 12 C H6 . . 5.000 2.566 2.259 3.179 . 0 0 "[ . 1 . 2]" 1
336 1 12 C H5'' 1 13 A H8 . . 4.500 4.656 4.505 4.745 0.245 19 0 "[ . 1 . 2]" 1
337 1 12 C H5' 1 13 A H8 . . 5.500 4.414 3.660 4.608 . 0 0 "[ . 1 . 2]" 1
338 1 12 C H5 1 12 C H6 . . 3.500 2.426 2.421 2.430 . 0 0 "[ . 1 . 2]" 1
339 1 12 C H6 1 13 A H8 . . 6.500 5.333 5.135 5.917 . 0 0 "[ . 1 . 2]" 1
340 1 13 A H1' 1 13 A H2' . . 4.500 3.041 3.029 3.051 . 0 0 "[ . 1 . 2]" 1
341 1 13 A H1' 1 13 A H3' . . 4.500 3.796 3.744 3.888 . 0 0 "[ . 1 . 2]" 1
342 1 13 A H1' 1 13 A H4' . . 4.500 3.357 3.118 3.651 . 0 0 "[ . 1 . 2]" 1
343 1 13 A H1' 1 13 A H5' . . 4.500 4.598 4.103 4.821 0.321 4 0 "[ . 1 . 2]" 1
344 1 13 A H1' 1 13 A H5'' . . 5.500 4.914 4.791 5.064 . 0 0 "[ . 1 . 2]" 1
345 1 13 A H1' 1 13 A H8 . . 4.500 3.877 3.824 3.914 . 0 0 "[ . 1 . 2]" 1
346 1 13 A H1' 1 14 U H6 . . 5.500 2.798 2.123 3.663 . 0 0 "[ . 1 . 2]" 1
347 1 13 A H1' 1 15 G H1' . . 5.500 4.756 3.646 5.201 . 0 0 "[ . 1 . 2]" 1
348 1 13 A H1' 1 15 G H8 . . 5.500 4.004 3.008 4.951 . 0 0 "[ . 1 . 2]" 1
349 1 13 A H2' 1 13 A H5' . . 4.500 3.664 2.631 4.203 . 0 0 "[ . 1 . 2]" 1
350 1 13 A H2' 1 13 A H5'' . . 4.500 3.479 3.082 4.021 . 0 0 "[ . 1 . 2]" 1
351 1 13 A H2' 1 13 A H8 . . 3.500 2.150 1.973 2.452 . 0 0 "[ . 1 . 2]" 1
352 1 13 A H2 1 14 U H1' . . 5.500 5.502 5.323 5.594 0.094 14 0 "[ . 1 . 2]" 1
353 1 13 A H2 1 14 U H4' . . 6.500 6.035 5.773 6.110 . 0 0 "[ . 1 . 2]" 1
354 1 13 A H2' 1 14 U H5 . . 5.500 5.205 5.108 5.247 . 0 0 "[ . 1 . 2]" 1
355 1 13 A H2 1 14 U H5' . . 6.500 5.831 5.546 6.603 0.103 11 0 "[ . 1 . 2]" 1
356 1 13 A H2 1 14 U H5'' . . 6.500 5.084 4.948 5.183 . 0 0 "[ . 1 . 2]" 1
357 1 13 A H2' 1 14 U H6 . . 5.500 4.870 4.691 4.971 . 0 0 "[ . 1 . 2]" 1
358 1 13 A H2 1 15 G H1' . . 6.500 3.648 2.566 5.069 . 0 0 "[ . 1 . 2]" 1
359 1 13 A H3' 1 13 A H4' . . 3.500 2.717 2.655 2.765 . 0 0 "[ . 1 . 2]" 1
360 1 13 A H3' 1 13 A H5' . . 4.500 3.415 3.240 3.666 . 0 0 "[ . 1 . 2]" 1
361 1 13 A H3' 1 13 A H5'' . . 4.500 2.625 2.136 3.521 . 0 0 "[ . 1 . 2]" 1
362 1 13 A H3' 1 13 A H8 . . 4.500 4.363 4.214 4.468 . 0 0 "[ . 1 . 2]" 1
363 1 13 A H3' 1 14 U H5 . . 5.500 5.109 4.582 5.640 0.140 10 0 "[ . 1 . 2]" 1
364 1 13 A H3' 1 14 U H6 . . 5.500 4.978 4.596 5.295 . 0 0 "[ . 1 . 2]" 1
365 1 13 A H4' 1 13 A H5' . . 3.500 2.404 2.064 2.966 . 0 0 "[ . 1 . 2]" 1
366 1 13 A H4' 1 13 A H5'' . . 3.500 2.551 2.241 2.842 . 0 0 "[ . 1 . 2]" 1
367 1 13 A H4' 1 13 A H8 . . 5.000 4.946 4.557 5.044 0.044 13 0 "[ . 1 . 2]" 1
368 1 13 A H4' 1 14 U H6 . . 5.000 2.928 2.112 3.758 . 0 0 "[ . 1 . 2]" 1
369 1 13 A H5'' 1 13 A H8 . . 4.500 4.483 3.999 4.599 0.099 7 0 "[ . 1 . 2]" 1
370 1 13 A H5' 1 13 A H8 . . 5.500 4.185 2.251 5.123 . 0 0 "[ . 1 . 2]" 1
371 1 13 A H5' 1 14 U H5 . . 6.500 3.034 2.155 4.394 . 0 0 "[ . 1 . 2]" 1
372 1 13 A H5'' 1 14 U H5 . . 6.500 3.841 2.076 4.674 . 0 0 "[ . 1 . 2]" 1
373 1 13 A H8 1 14 U H3' . . 6.500 6.786 6.620 6.845 0.345 4 0 "[ . 1 . 2]" 1
374 1 13 A H8 1 14 U H5 . . 6.500 5.447 4.687 5.937 . 0 0 "[ . 1 . 2]" 1
375 1 13 A H8 1 14 U H6 . . 5.500 5.361 4.613 5.652 0.152 8 0 "[ . 1 . 2]" 1
376 1 13 A H8 1 15 G H1' . . 6.500 5.833 5.012 6.132 . 0 0 "[ . 1 . 2]" 1
377 1 14 U H1' 1 14 U H2' . . 3.500 3.083 3.027 3.107 . 0 0 "[ . 1 . 2]" 1
378 1 14 U H1' 1 14 U H3' . . 4.500 3.853 3.817 3.989 . 0 0 "[ . 1 . 2]" 1
379 1 14 U H1' 1 14 U H4' . . 4.500 3.511 3.401 3.794 . 0 0 "[ . 1 . 2]" 1
380 1 14 U H1' 1 14 U H5' . . 5.500 5.048 4.858 5.117 . 0 0 "[ . 1 . 2]" 1
381 1 14 U H1' 1 14 U H5'' . . 5.500 4.346 4.197 4.936 . 0 0 "[ . 1 . 2]" 1
382 1 14 U H1' 1 14 U H6 . . 3.500 3.598 3.411 3.723 0.223 8 0 "[ . 1 . 2]" 1
383 1 14 U H1' 1 15 G H8 . . 6.500 6.002 5.760 6.164 . 0 0 "[ . 1 . 2]" 1
384 1 14 U H2' 1 14 U H5' . . 4.500 3.630 3.381 3.958 . 0 0 "[ . 1 . 2]" 1
385 1 14 U H2' 1 14 U H5 . . 5.000 4.326 4.193 4.504 . 0 0 "[ . 1 . 2]" 1
386 1 14 U H2' 1 14 U H6 . . 3.500 2.085 1.851 2.607 . 0 0 "[ . 1 . 2]" 1
387 1 14 U H2' 1 15 G H8 . . 4.500 4.158 4.051 4.267 . 0 0 "[ . 1 . 2]" 1
388 1 14 U H2' 1 14 U H3' . . 3.500 2.248 2.185 2.339 . 0 0 "[ . 1 . 2]" 1
389 1 14 U H3' 1 14 U H4' . . 3.500 2.697 2.645 2.729 . 0 0 "[ . 1 . 2]" 1
390 1 14 U H3' 1 14 U H5' . . 4.500 2.652 2.466 3.593 . 0 0 "[ . 1 . 2]" 1
391 1 14 U H3' 1 14 U H5 . . 6.500 6.460 6.297 6.511 0.011 13 0 "[ . 1 . 2]" 1
392 1 14 U H3' 1 14 U H6 . . 4.500 4.110 4.019 4.194 . 0 0 "[ . 1 . 2]" 1
393 1 14 U H3' 1 15 G H8 . . 4.000 2.302 2.126 2.464 . 0 0 "[ . 1 . 2]" 1
394 1 14 U H4' 1 15 G H8 . . 4.000 3.694 2.886 4.108 0.108 9 0 "[ . 1 . 2]" 1
395 1 14 U H4' 1 14 U H5' . . 3.500 2.370 2.251 2.438 . 0 0 "[ . 1 . 2]" 1
396 1 14 U H4' 1 14 U H5'' . . 3.500 2.990 2.605 3.028 . 0 0 "[ . 1 . 2]" 1
397 1 14 U H5 1 14 U H6 . . 3.500 2.430 2.425 2.434 . 0 0 "[ . 1 . 2]" 1
398 1 14 U H5' 1 14 U H6 . . 5.500 4.719 3.783 5.179 . 0 0 "[ . 1 . 2]" 1
399 1 14 U H5'' 1 14 U H6 . . 5.500 3.169 2.222 4.580 . 0 0 "[ . 1 . 2]" 1
400 1 15 G H1' 1 15 G H2' . . 3.500 2.710 2.691 2.731 . 0 0 "[ . 1 . 2]" 1
401 1 15 G H1' 1 15 G H3' . . 4.500 3.810 3.789 3.858 . 0 0 "[ . 1 . 2]" 1
402 1 15 G H1' 1 15 G H4' . . 5.500 3.635 3.415 3.744 . 0 0 "[ . 1 . 2]" 1
403 1 15 G H1' 1 15 G H5'' . . 4.500 4.482 4.349 5.118 0.618 8 1 "[ . + 1 . 2]" 1
404 1 15 G H1' 1 15 G H5' . . 5.500 5.214 4.885 5.316 . 0 0 "[ . 1 . 2]" 1
405 1 15 G H1' 1 15 G H8 . . 4.500 3.604 3.543 3.659 . 0 0 "[ . 1 . 2]" 1
406 1 15 G H1 1 16 A H1' . . 5.500 4.314 4.078 4.546 . 0 0 "[ . 1 . 2]" 1
407 1 15 G H1 1 16 A H2 . . 5.500 4.265 3.990 4.586 . 0 0 "[ . 1 . 2]" 1
408 1 15 G H1' 1 16 A H8 . . 4.500 4.616 4.573 4.673 0.173 16 0 "[ . 1 . 2]" 1
409 1 15 G H2' 1 15 G H3' . . 3.500 2.414 2.394 2.442 . 0 0 "[ . 1 . 2]" 1
410 1 15 G H2' 1 15 G H4' . . 4.500 3.902 3.824 3.978 . 0 0 "[ . 1 . 2]" 1
411 1 15 G H2' 1 15 G H8 . . 4.500 4.445 4.313 4.521 0.021 7 0 "[ . 1 . 2]" 1
412 1 15 G H2' 1 16 A H1' . . 4.500 4.045 3.981 4.110 . 0 0 "[ . 1 . 2]" 1
413 1 15 G H2' 1 16 A H8 . . 3.000 2.127 2.038 2.235 . 0 0 "[ . 1 . 2]" 1
414 1 15 G H3' 1 15 G H5' . . 4.500 2.709 2.196 3.715 . 0 0 "[ . 1 . 2]" 1
415 1 15 G H3' 1 15 G H5'' . . 4.500 2.537 2.184 3.051 . 0 0 "[ . 1 . 2]" 1
416 1 15 G H3' 1 15 G H8 . . 3.500 3.489 3.276 3.628 0.128 7 0 "[ . 1 . 2]" 1
417 1 15 G H3' 1 16 A H8 . . 3.500 2.302 2.021 2.524 . 0 0 "[ . 1 . 2]" 1
418 1 15 G H4' 1 15 G H5' . . 3.500 2.534 2.360 2.802 . 0 0 "[ . 1 . 2]" 1
419 1 15 G H4' 1 15 G H5'' . . 3.500 2.997 2.472 3.045 . 0 0 "[ . 1 . 2]" 1
420 1 15 G H5' 1 15 G H8 . . 4.000 3.936 3.510 4.047 0.047 11 0 "[ . 1 . 2]" 1
421 1 15 G H5'' 1 15 G H8 . . 4.000 2.386 2.098 4.180 0.180 8 0 "[ . 1 . 2]" 1
422 1 16 A H1' 1 16 A H2' . . 3.500 2.713 2.699 2.724 . 0 0 "[ . 1 . 2]" 1
423 1 16 A H1' 1 16 A H2 . . 5.500 4.868 4.799 4.910 . 0 0 "[ . 1 . 2]" 1
424 1 16 A H1' 1 16 A H3' . . 4.500 3.819 3.784 3.841 . 0 0 "[ . 1 . 2]" 1
425 1 16 A H1' 1 16 A H4' . . 3.500 3.489 3.446 3.520 0.020 18 0 "[ . 1 . 2]" 1
426 1 16 A H1' 1 16 A H5' . . 4.500 4.600 4.590 4.611 0.111 10 0 "[ . 1 . 2]" 1
427 1 16 A H1' 1 16 A H8 . . 4.500 3.687 3.664 3.718 . 0 0 "[ . 1 . 2]" 1
428 1 16 A H1' 1 17 C H6 . . 4.500 4.604 4.578 4.632 0.132 15 0 "[ . 1 . 2]" 1
429 1 16 A H2' 1 16 A H3' . . 3.500 2.329 2.318 2.345 . 0 0 "[ . 1 . 2]" 1
430 1 16 A H2' 1 16 A H5' . . 5.500 5.213 5.186 5.245 . 0 0 "[ . 1 . 2]" 1
431 1 16 A H2' 1 16 A H8 . . 4.500 4.152 4.106 4.181 . 0 0 "[ . 1 . 2]" 1
432 1 16 A H2 1 17 C H1' . . 3.500 2.819 2.497 3.093 . 0 0 "[ . 1 . 2]" 1
433 1 16 A H2' 1 17 C H1' . . 4.500 3.801 3.637 3.972 . 0 0 "[ . 1 . 2]" 1
434 1 16 A H2' 1 17 C H3' . . 5.500 4.528 4.456 4.577 . 0 0 "[ . 1 . 2]" 1
435 1 16 A H2' 1 17 C H4' . . 4.500 3.988 3.915 4.050 . 0 0 "[ . 1 . 2]" 1
436 1 16 A H2' 1 17 C H5 . . 4.500 4.024 3.974 4.057 . 0 0 "[ . 1 . 2]" 1
437 1 16 A H2' 1 17 C H5' . . 4.500 3.073 2.920 3.259 . 0 0 "[ . 1 . 2]" 1
438 1 16 A H2' 1 17 C H6 . . 3.500 2.090 2.058 2.146 . 0 0 "[ . 1 . 2]" 1
439 1 16 A H3' 1 16 A H8 . . 3.500 3.265 3.113 3.354 . 0 0 "[ . 1 . 2]" 1
440 1 16 A H3' 1 17 C H1' . . 5.500 5.713 5.676 5.755 0.255 6 0 "[ . 1 . 2]" 1
441 1 16 A H3' 1 17 C H6 . . 4.500 2.531 2.459 2.624 . 0 0 "[ . 1 . 2]" 1
442 1 16 A H4' 1 17 C H6 . . 5.500 5.209 5.161 5.231 . 0 0 "[ . 1 . 2]" 1
443 1 17 C H1' 1 17 C H2' . . 3.500 2.800 2.781 2.814 . 0 0 "[ . 1 . 2]" 1
444 1 17 C H1' 1 17 C H3' . . 4.500 3.827 3.795 3.845 . 0 0 "[ . 1 . 2]" 1
445 1 17 C H1' 1 17 C H4' . . 3.500 3.214 3.165 3.267 . 0 0 "[ . 1 . 2]" 1
446 1 17 C H1' 1 17 C H5'' . . 5.500 5.134 5.116 5.154 . 0 0 "[ . 1 . 2]" 1
447 1 17 C H1' 1 17 C H6 . . 4.500 3.542 3.527 3.560 . 0 0 "[ . 1 . 2]" 1
448 1 17 C H1' 1 18 U H6 . . 4.500 4.634 4.591 4.694 0.194 17 0 "[ . 1 . 2]" 1
449 1 17 C H2' 1 17 C H6 . . 4.500 4.043 4.007 4.071 . 0 0 "[ . 1 . 2]" 1
450 1 17 C H2' 1 18 U H5 . . 4.500 3.307 3.046 3.564 . 0 0 "[ . 1 . 2]" 1
451 1 17 C H2' 1 18 U H6 . . 3.500 2.092 2.020 2.201 . 0 0 "[ . 1 . 2]" 1
452 1 17 C H2' 1 17 C H3' . . 3.500 2.365 2.354 2.382 . 0 0 "[ . 1 . 2]" 1
453 1 17 C H3' 1 17 C H5'' . . 4.500 2.848 2.769 2.949 . 0 0 "[ . 1 . 2]" 1
454 1 17 C H3' 1 17 C H6 . . 3.500 3.282 3.145 3.368 . 0 0 "[ . 1 . 2]" 1
455 1 17 C H3' 1 18 U H5 . . 4.500 4.324 4.147 4.586 0.086 18 0 "[ . 1 . 2]" 1
456 1 17 C H3' 1 18 U H6 . . 4.500 3.876 3.702 4.048 . 0 0 "[ . 1 . 2]" 1
457 1 17 C H4' 1 17 C H6 . . 5.500 4.214 4.174 4.244 . 0 0 "[ . 1 . 2]" 1
458 1 17 C H5 1 17 C H6 . . 3.500 2.437 2.435 2.440 . 0 0 "[ . 1 . 2]" 1
459 1 17 C H5'' 1 17 C H6 . . 4.500 4.386 4.250 4.470 . 0 0 "[ . 1 . 2]" 1
460 1 17 C H5' 1 17 C H6 . . 5.500 3.776 3.706 3.832 . 0 0 "[ . 1 . 2]" 1
461 1 18 U H1' 1 18 U H2' . . 3.500 2.746 2.711 2.782 . 0 0 "[ . 1 . 2]" 1
462 1 18 U H1' 1 18 U H3' . . 4.500 3.820 3.786 3.881 . 0 0 "[ . 1 . 2]" 1
463 1 18 U H1' 1 18 U Q5' . . 4.500 4.351 4.257 4.431 . 0 0 "[ . 1 . 2]" 1
464 1 18 U H1' 1 18 U H6 . . 4.500 3.543 3.464 3.601 . 0 0 "[ . 1 . 2]" 1
465 1 18 U H1' 1 19 C H6 . . 4.500 4.652 4.633 4.725 0.225 1 0 "[ . 1 . 2]" 1
466 1 18 U H2' 1 18 U H6 . . 4.500 4.084 3.939 4.250 . 0 0 "[ . 1 . 2]" 1
467 1 18 U H2' 1 19 C H1' . . 4.500 3.854 3.681 3.919 . 0 0 "[ . 1 . 2]" 1
468 1 18 U H2' 1 19 C H5 . . 4.500 3.913 3.858 3.957 . 0 0 "[ . 1 . 2]" 1
469 1 18 U H2' 1 19 C H6 . . 3.500 2.065 2.000 2.139 . 0 0 "[ . 1 . 2]" 1
470 1 7 U H6 1 18 U H3 . . 5.500 4.146 3.964 4.400 . 0 0 "[ . 1 . 2]" 1
471 1 18 U H3' 1 18 U Q5' . . 4.500 2.549 2.175 2.902 . 0 0 "[ . 1 . 2]" 1
472 1 18 U H3' 1 18 U H6 . . 3.500 3.177 2.963 3.464 . 0 0 "[ . 1 . 2]" 1
473 1 18 U H3 1 19 C H41 . . 6.500 4.650 4.498 4.835 . 0 0 "[ . 1 . 2]" 1
474 1 18 U H3 1 19 C H42 . . 6.500 4.900 4.703 5.060 . 0 0 "[ . 1 . 2]" 1
475 1 18 U H3' 1 19 C H5 . . 4.500 3.290 2.660 3.795 . 0 0 "[ . 1 . 2]" 1
476 1 18 U H3' 1 19 C H6 . . 4.500 2.750 2.178 3.196 . 0 0 "[ . 1 . 2]" 1
477 1 18 U H4' 1 18 U H6 . . 5.500 4.089 3.889 4.216 . 0 0 "[ . 1 . 2]" 1
478 1 18 U H5 1 18 U H6 . . 3.500 2.434 2.431 2.437 . 0 0 "[ . 1 . 2]" 1
479 1 18 U H6 1 19 C H5 . . 5.500 4.285 3.971 4.699 . 0 0 "[ . 1 . 2]" 1
480 1 19 C H1' 1 19 C H2' . . 3.500 2.730 2.720 2.737 . 0 0 "[ . 1 . 2]" 1
481 1 19 C H1' 1 19 C H3' . . 4.500 3.778 3.756 3.828 . 0 0 "[ . 1 . 2]" 1
482 1 19 C H1' 1 19 C H4' . . 3.500 3.372 3.315 3.525 0.025 1 0 "[ . 1 . 2]" 1
483 1 19 C H1' 1 19 C H5' . . 5.500 4.814 4.727 5.255 . 0 0 "[ . 1 . 2]" 1
484 1 19 C H1' 1 19 C H6 . . 4.500 3.595 3.530 3.612 . 0 0 "[ . 1 . 2]" 1
485 1 19 C H1' 1 20 U H6 . . 4.500 4.694 4.668 4.727 0.227 9 0 "[ . 1 . 2]" 1
486 1 19 C H2' 1 19 C H3' . . 3.500 2.427 2.387 2.445 . 0 0 "[ . 1 . 2]" 1
487 1 19 C H2' 1 19 C H5 . . 5.500 5.406 5.377 5.491 . 0 0 "[ . 1 . 2]" 1
488 1 19 C H2' 1 19 C H6 . . 4.500 4.033 4.000 4.139 . 0 0 "[ . 1 . 2]" 1
489 1 19 C H2' 1 20 U H5 . . 4.500 3.755 3.653 3.803 . 0 0 "[ . 1 . 2]" 1
490 1 19 C H2' 1 20 U H6 . . 3.500 2.162 2.134 2.194 . 0 0 "[ . 1 . 2]" 1
491 1 19 C H3' 1 19 C H6 . . 3.500 2.858 2.751 3.145 . 0 0 "[ . 1 . 2]" 1
492 1 19 C H3' 1 20 U H5 . . 4.500 3.936 3.583 4.027 . 0 0 "[ . 1 . 2]" 1
493 1 19 C H3' 1 20 U H6 . . 3.500 3.489 3.230 3.537 0.037 15 0 "[ . 1 . 2]" 1
494 1 19 C H41 1 20 U H3 . . 6.500 4.819 4.632 4.958 . 0 0 "[ . 1 . 2]" 1
495 1 19 C H41 1 20 U H5 . . 6.500 3.943 3.796 4.091 . 0 0 "[ . 1 . 2]" 1
496 1 19 C H42 1 20 U H5 . . 6.500 4.169 4.005 4.348 . 0 0 "[ . 1 . 2]" 1
497 1 19 C H4' 1 19 C H6 . . 5.500 4.038 3.974 4.061 . 0 0 "[ . 1 . 2]" 1
498 1 19 C H41 1 19 C H5 . . 5.500 3.685 3.669 3.693 . 0 0 "[ . 1 . 2]" 1
499 1 19 C H42 1 19 C H5 . . 5.500 2.426 2.402 2.442 . 0 0 "[ . 1 . 2]" 1
500 1 19 C H5 1 19 C H6 . . 3.500 2.436 2.432 2.439 . 0 0 "[ . 1 . 2]" 1
501 1 19 C H5' 1 19 C H6 . . 4.500 3.599 3.370 3.938 . 0 0 "[ . 1 . 2]" 1
502 1 19 C H5'' 1 19 C H6 . . 4.500 3.875 2.386 4.057 . 0 0 "[ . 1 . 2]" 1
503 1 19 C H5 1 20 U H5 . . 6.500 4.195 4.011 4.342 . 0 0 "[ . 1 . 2]" 1
504 1 19 C H6 1 20 U H5 . . 5.500 4.648 4.498 4.771 . 0 0 "[ . 1 . 2]" 1
505 1 20 U H1' 1 20 U H2' . . 3.500 2.765 2.755 2.771 . 0 0 "[ . 1 . 2]" 1
506 1 20 U H1' 1 20 U H3' . . 4.500 3.795 3.790 3.804 . 0 0 "[ . 1 . 2]" 1
507 1 20 U H1' 1 20 U H4' . . 3.500 3.278 3.263 3.315 . 0 0 "[ . 1 . 2]" 1
508 1 20 U H1' 1 20 U H5' . . 4.500 4.665 4.648 4.679 0.179 19 0 "[ . 1 . 2]" 1
509 1 20 U H1' 1 20 U H5'' . . 5.500 5.168 5.158 5.183 . 0 0 "[ . 1 . 2]" 1
510 1 20 U H1' 1 20 U H6 . . 3.500 3.606 3.598 3.618 0.118 10 0 "[ . 1 . 2]" 1
511 1 20 U H1' 1 21 A H1' . . 5.500 5.100 5.014 5.161 . 0 0 "[ . 1 . 2]" 1
512 1 20 U H1' 1 21 A H8 . . 4.500 4.712 4.692 4.735 0.235 6 0 "[ . 1 . 2]" 1
513 1 20 U H2' 1 20 U H3 . . 6.500 4.424 4.403 4.453 . 0 0 "[ . 1 . 2]" 1
514 1 20 U H2' 1 20 U H6 . . 4.500 3.898 3.843 3.945 . 0 0 "[ . 1 . 2]" 1
515 1 20 U H2' 1 21 A H1' . . 5.500 4.046 3.941 4.121 . 0 0 "[ . 1 . 2]" 1
516 1 20 U H2' 1 21 A H5' . . 4.500 4.180 4.037 4.279 . 0 0 "[ . 1 . 2]" 1
517 1 20 U H2' 1 21 A H8 . . 3.500 2.315 2.253 2.414 . 0 0 "[ . 1 . 2]" 1
518 1 20 U H3' 1 20 U H5 . . 4.500 4.619 4.607 4.632 0.132 4 0 "[ . 1 . 2]" 1
519 1 20 U H3' 1 20 U H6 . . 3.500 2.833 2.800 2.866 . 0 0 "[ . 1 . 2]" 1
520 1 20 U H3 1 21 A H1' . . 5.500 4.322 4.251 4.415 . 0 0 "[ . 1 . 2]" 1
521 1 20 U H3 1 21 A H2' . . 5.500 5.691 5.663 5.721 0.221 8 0 "[ . 1 . 2]" 1
522 1 20 U H3' 1 21 A H8 . . 4.500 3.619 3.526 3.765 . 0 0 "[ . 1 . 2]" 1
523 1 20 U H5 1 20 U H6 . . 3.500 2.438 2.437 2.440 . 0 0 "[ . 1 . 2]" 1
524 1 20 U H5' 1 20 U H6 . . 4.500 3.535 3.391 3.573 . 0 0 "[ . 1 . 2]" 1
525 1 20 U H5'' 1 20 U H6 . . 4.500 4.126 4.105 4.144 . 0 0 "[ . 1 . 2]" 1
526 1 20 U H6 1 21 A H8 . . 5.500 4.855 4.757 4.904 . 0 0 "[ . 1 . 2]" 1
527 1 21 A H1' 1 21 A H2' . . 3.500 2.627 2.601 2.637 . 0 0 "[ . 1 . 2]" 1
528 1 21 A H1' 1 21 A H3' . . 4.500 3.798 3.693 3.822 . 0 0 "[ . 1 . 2]" 1
529 1 21 A H1' 1 21 A H4' . . 3.500 3.558 3.534 3.576 0.076 11 0 "[ . 1 . 2]" 1
530 1 21 A H1' 1 21 A H5'' . . 4.500 4.521 4.504 4.550 0.050 16 0 "[ . 1 . 2]" 1
531 1 21 A H1' 1 21 A H5' . . 5.500 5.264 5.241 5.289 . 0 0 "[ . 1 . 2]" 1
532 1 21 A H1' 1 21 A H8 . . 4.500 3.721 3.700 3.745 . 0 0 "[ . 1 . 2]" 1
533 1 21 A H1' 1 22 C H1' . . 5.500 5.261 5.227 5.275 . 0 0 "[ . 1 . 2]" 1
534 1 21 A H1' 1 22 C H5 . . 5.500 5.590 5.569 5.607 0.107 20 0 "[ . 1 . 2]" 1
535 1 21 A H1' 1 22 C H6 . . 4.500 4.586 4.564 4.628 0.128 8 0 "[ . 1 . 2]" 1
536 1 21 A H2' 1 21 A H8 . . 4.500 4.149 4.084 4.238 . 0 0 "[ . 1 . 2]" 1
537 1 21 A H2 1 22 C H1' . . 3.500 3.287 3.239 3.357 . 0 0 "[ . 1 . 2]" 1
538 1 21 A H2' 1 22 C H5 . . 4.500 3.648 3.617 3.728 . 0 0 "[ . 1 . 2]" 1
539 1 21 A H2' 1 22 C H6 . . 3.500 2.007 1.971 2.079 . 0 0 "[ . 1 . 2]" 1
540 1 21 A H2' 1 21 A H3' . . 3.500 2.430 2.415 2.461 . 0 0 "[ . 1 . 2]" 1
541 1 21 A H3' 1 21 A H5' . . 4.500 2.736 2.649 2.911 . 0 0 "[ . 1 . 2]" 1
542 1 21 A H3' 1 21 A H8 . . 3.500 3.107 2.938 3.171 . 0 0 "[ . 1 . 2]" 1
543 1 21 A H3' 1 22 C H5 . . 4.500 3.118 2.954 3.229 . 0 0 "[ . 1 . 2]" 1
544 1 21 A H3' 1 22 C H6 . . 4.500 2.618 2.416 2.712 . 0 0 "[ . 1 . 2]" 1
545 1 21 A H4' 1 21 A H8 . . 5.500 4.167 4.149 4.186 . 0 0 "[ . 1 . 2]" 1
546 1 21 A H5' 1 21 A H8 . . 4.500 3.849 3.778 3.940 . 0 0 "[ . 1 . 2]" 1
547 1 21 A H8 1 22 C H5 . . 5.500 4.293 3.917 4.427 . 0 0 "[ . 1 . 2]" 1
548 1 21 A H8 1 22 C H6 . . 5.500 4.970 4.727 5.063 . 0 0 "[ . 1 . 2]" 1
549 1 22 C H1' 1 22 C H2' . . 3.500 2.764 2.759 2.769 . 0 0 "[ . 1 . 2]" 1
550 1 22 C H1' 1 22 C H3' . . 4.500 3.827 3.806 3.835 . 0 0 "[ . 1 . 2]" 1
551 1 22 C H1' 1 22 C H4' . . 3.500 3.329 3.314 3.370 . 0 0 "[ . 1 . 2]" 1
552 1 22 C H1' 1 22 C H5' . . 5.500 4.801 4.739 5.210 . 0 0 "[ . 1 . 2]" 1
553 1 22 C H1' 1 22 C H6 . . 4.500 3.571 3.564 3.576 . 0 0 "[ . 1 . 2]" 1
554 1 22 C H1' 1 23 C H6 . . 4.500 4.728 4.715 4.752 0.252 8 0 "[ . 1 . 2]" 1
555 1 22 C H2' 1 22 C H3' . . 3.500 2.414 2.398 2.429 . 0 0 "[ . 1 . 2]" 1
556 1 22 C H2' 1 22 C H6 . . 4.500 4.018 4.009 4.029 . 0 0 "[ . 1 . 2]" 1
557 1 22 C H2' 1 23 C H1' . . 4.500 4.393 4.310 4.516 0.016 8 0 "[ . 1 . 2]" 1
558 1 22 C H2' 1 23 C H5 . . 5.500 3.683 3.644 3.746 . 0 0 "[ . 1 . 2]" 1
559 1 22 C H2' 1 23 C H6 . . 3.500 2.111 2.080 2.166 . 0 0 "[ . 1 . 2]" 1
560 1 22 C H3' 1 22 C H5 . . 5.500 4.748 4.714 4.772 . 0 0 "[ . 1 . 2]" 1
561 1 22 C H3' 1 22 C H6 . . 3.500 3.032 2.990 3.060 . 0 0 "[ . 1 . 2]" 1
562 1 22 C H3' 1 23 C H5 . . 5.500 3.541 3.462 3.759 . 0 0 "[ . 1 . 2]" 1
563 1 22 C H3' 1 23 C H6 . . 4.500 3.069 2.987 3.219 . 0 0 "[ . 1 . 2]" 1
564 1 22 C H4' 1 22 C H6 . . 4.500 4.089 4.060 4.100 . 0 0 "[ . 1 . 2]" 1
565 1 22 C H5 1 22 C H6 . . 3.500 2.430 2.426 2.433 . 0 0 "[ . 1 . 2]" 1
566 1 22 C H5' 1 22 C H6 . . 4.500 3.646 3.582 4.059 . 0 0 "[ . 1 . 2]" 1
567 1 22 C H5'' 1 22 C H6 . . 4.500 3.961 2.452 4.147 . 0 0 "[ . 1 . 2]" 1
568 1 22 C H6 1 23 C H5 . . 6.500 4.037 3.984 4.186 . 0 0 "[ . 1 . 2]" 1
569 1 23 C H1' 1 23 C H2' . . 3.500 2.748 2.742 2.758 . 0 0 "[ . 1 . 2]" 1
570 1 23 C H1' 1 23 C H3' . . 4.500 3.801 3.799 3.805 . 0 0 "[ . 1 . 2]" 1
571 1 23 C H1' 1 23 C H4' . . 3.500 3.228 3.201 3.238 . 0 0 "[ . 1 . 2]" 1
572 1 23 C H1' 1 23 C H5' . . 4.500 4.601 4.590 4.609 0.109 10 0 "[ . 1 . 2]" 1
573 1 23 C H1' 1 23 C H5'' . . 5.500 5.164 5.152 5.170 . 0 0 "[ . 1 . 2]" 1
574 1 23 C H1' 1 23 C H6 . . 4.500 3.633 3.630 3.636 . 0 0 "[ . 1 . 2]" 1
575 1 23 C H2' 1 23 C H3' . . 3.500 2.351 2.346 2.357 . 0 0 "[ . 1 . 2]" 1
576 1 23 C H2' 1 23 C H5 . . 5.500 5.066 5.059 5.075 . 0 0 "[ . 1 . 2]" 1
577 1 23 C H2' 1 23 C H6 . . 3.500 3.672 3.666 3.686 0.186 20 0 "[ . 1 . 2]" 1
578 1 23 C H3' 1 23 C H5 . . 4.500 4.583 4.573 4.591 0.091 12 0 "[ . 1 . 2]" 1
579 1 23 C H3' 1 23 C H6 . . 3.500 2.719 2.700 2.738 . 0 0 "[ . 1 . 2]" 1
580 1 23 C H4' 1 23 C H6 . . 4.500 4.089 4.083 4.101 . 0 0 "[ . 1 . 2]" 1
581 1 23 C H3' 1 23 C H5' . . 3.500 3.623 3.615 3.630 0.130 10 0 "[ . 1 . 2]" 1
582 1 23 C H3' 1 23 C H5'' . . 3.500 3.090 3.071 3.123 . 0 0 "[ . 1 . 2]" 1
583 1 23 C H4' 1 23 C H5' . . 3.500 2.499 2.488 2.514 . 0 0 "[ . 1 . 2]" 1
584 1 23 C H4' 1 23 C H5'' . . 3.500 2.356 2.344 2.363 . 0 0 "[ . 1 . 2]" 1
585 1 23 C H5 1 23 C H6 . . 3.500 2.437 2.435 2.439 . 0 0 "[ . 1 . 2]" 1
586 1 23 C H5' 1 23 C H6 . . 4.500 3.493 3.466 3.525 . 0 0 "[ . 1 . 2]" 1
587 1 23 C H5'' 1 23 C H6 . . 5.500 4.222 4.203 4.274 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 38
_Distance_constraint_stats_list.Viol_count 182
_Distance_constraint_stats_list.Viol_total 103.049
_Distance_constraint_stats_list.Viol_max 0.080
_Distance_constraint_stats_list.Viol_rms 0.0149
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0068
_Distance_constraint_stats_list.Viol_average_violations_only 0.0283
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 G 1.624 0.080 18 0 "[ . 1 . 2]"
1 2 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 U 0.228 0.054 9 0 "[ . 1 . 2]"
1 4 A 0.886 0.049 8 0 "[ . 1 . 2]"
1 5 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 U 0.823 0.062 10 0 "[ . 1 . 2]"
1 8 U 1.350 0.064 9 0 "[ . 1 . 2]"
1 9 U 0.242 0.037 13 0 "[ . 1 . 2]"
1 15 G 0.242 0.037 13 0 "[ . 1 . 2]"
1 16 A 1.350 0.064 9 0 "[ . 1 . 2]"
1 18 U 0.823 0.062 10 0 "[ . 1 . 2]"
1 19 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 U 0.886 0.049 8 0 "[ . 1 . 2]"
1 21 A 0.228 0.054 9 0 "[ . 1 . 2]"
1 22 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 C 1.624 0.080 18 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 H21 1 23 C O2 . . 2.000 1.948 1.876 1.988 . 0 0 "[ . 1 . 2]" 2
2 1 1 G N2 1 23 C O2 . . 3.000 2.844 2.809 2.863 . 0 0 "[ . 1 . 2]" 2
3 1 1 G H1 1 23 C N3 . . 2.000 1.937 1.925 1.993 . 0 0 "[ . 1 . 2]" 2
4 1 1 G N1 1 23 C N3 . . 3.000 2.930 2.921 2.972 . 0 0 "[ . 1 . 2]" 2
5 1 1 G O6 1 23 C H41 . . 2.000 2.059 2.033 2.080 0.080 18 0 "[ . 1 . 2]" 2
6 1 1 G O6 1 23 C N4 . . 3.000 3.022 3.003 3.028 0.028 18 0 "[ . 1 . 2]" 2
7 1 2 G H21 1 22 C O2 . . 2.000 1.895 1.874 1.924 . 0 0 "[ . 1 . 2]" 2
8 1 2 G N2 1 22 C O2 . . 3.000 2.881 2.831 2.911 . 0 0 "[ . 1 . 2]" 2
9 1 2 G H1 1 22 C N3 . . 2.000 1.878 1.875 1.885 . 0 0 "[ . 1 . 2]" 2
10 1 2 G N1 1 22 C N3 . . 3.000 2.876 2.872 2.880 . 0 0 "[ . 1 . 2]" 2
11 1 2 G O6 1 22 C H41 . . 2.000 1.876 1.848 1.948 . 0 0 "[ . 1 . 2]" 2
12 1 2 G O6 1 22 C N4 . . 3.000 2.871 2.847 2.939 . 0 0 "[ . 1 . 2]" 2
13 1 3 U H3 1 21 A N1 . . 2.000 1.895 1.886 1.903 . 0 0 "[ . 1 . 2]" 2
14 1 3 U N3 1 21 A N1 . . 3.000 2.898 2.892 2.902 . 0 0 "[ . 1 . 2]" 2
15 1 3 U O4 1 21 A H61 . . 2.000 1.967 1.911 2.054 0.054 9 0 "[ . 1 . 2]" 2
16 1 3 U O4 1 21 A N6 . . 3.000 2.937 2.899 2.989 . 0 0 "[ . 1 . 2]" 2
17 1 4 A N1 1 20 U H3 . . 2.000 2.021 2.003 2.049 0.049 8 0 "[ . 1 . 2]" 2
18 1 4 A N1 1 20 U N3 . . 3.000 2.961 2.956 2.969 . 0 0 "[ . 1 . 2]" 2
19 1 4 A H61 1 20 U O4 . . 2.000 2.015 1.990 2.037 0.037 14 0 "[ . 1 . 2]" 2
20 1 4 A N6 1 20 U O4 . . 3.000 3.006 2.985 3.029 0.029 14 0 "[ . 1 . 2]" 2
21 1 5 G H21 1 19 C O2 . . 2.000 1.828 1.812 1.866 . 0 0 "[ . 1 . 2]" 2
22 1 5 G N2 1 19 C O2 . . 3.000 2.767 2.741 2.825 . 0 0 "[ . 1 . 2]" 2
23 1 5 G H1 1 19 C N3 . . 2.000 1.867 1.854 1.879 . 0 0 "[ . 1 . 2]" 2
24 1 5 G N1 1 19 C N3 . . 3.000 2.870 2.862 2.877 . 0 0 "[ . 1 . 2]" 2
25 1 5 G O6 1 19 C H41 . . 2.000 1.922 1.869 1.984 . 0 0 "[ . 1 . 2]" 2
26 1 5 G O6 1 19 C N4 . . 3.000 2.911 2.855 2.959 . 0 0 "[ . 1 . 2]" 2
27 1 8 U H3 1 16 A N1 . . 2.000 1.900 1.876 1.926 . 0 0 "[ . 1 . 2]" 2
28 1 8 U N3 1 16 A N1 . . 3.000 2.901 2.872 2.922 . 0 0 "[ . 1 . 2]" 2
29 1 8 U O4 1 16 A H61 . . 2.000 2.034 2.007 2.063 0.063 12 0 "[ . 1 . 2]" 2
30 1 8 U O4 1 16 A N6 . . 3.000 3.034 3.012 3.064 0.064 9 0 "[ . 1 . 2]" 2
31 1 6 U H3 1 18 U O4 . . 2.000 1.838 1.798 1.907 . 0 0 "[ . 1 . 2]" 2
32 1 6 U N3 1 18 U O4 . . 3.000 2.799 2.756 2.872 . 0 0 "[ . 1 . 2]" 2
33 1 6 U O2 1 18 U H3 . . 2.000 2.015 1.901 2.062 0.062 10 0 "[ . 1 . 2]" 2
34 1 6 U O2 1 18 U N3 . . 3.000 3.003 2.903 3.040 0.040 10 0 "[ . 1 . 2]" 2
35 1 9 U O2 1 15 G H1 . . 2.000 1.927 1.795 2.037 0.037 13 0 "[ . 1 . 2]" 2
36 1 9 U O2 1 15 G N1 . . 3.000 2.923 2.789 3.032 0.032 18 0 "[ . 1 . 2]" 2
37 1 9 U H3 1 15 G O6 . . 2.000 1.902 1.808 2.031 0.031 12 0 "[ . 1 . 2]" 2
38 1 9 U N3 1 15 G O6 . . 3.000 2.880 2.804 2.966 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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