NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
407669 |
1yg4   |
6509 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1yg4
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 577
_Distance_constraint_stats_list.Viol_count 121
_Distance_constraint_stats_list.Viol_total 13.229
_Distance_constraint_stats_list.Viol_max 0.369
_Distance_constraint_stats_list.Viol_rms 0.0591
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0229
_Distance_constraint_stats_list.Viol_average_violations_only 0.1093
_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 A 0.738 0.276 1 0 "[ ]"
1 2 G 1.128 0.275 1 0 "[ ]"
1 3 U 0.496 0.249 1 0 "[ ]"
1 4 G 0.291 0.075 1 0 "[ ]"
1 5 G 0.566 0.236 1 0 "[ ]"
1 6 CH 0.789 0.296 1 0 "[ ]"
1 7 G 0.086 0.086 1 0 "[ ]"
1 8 C 0.818 0.369 1 0 "[ ]"
1 9 C 0.663 0.353 1 0 "[ ]"
1 10 G 1.599 0.347 1 0 "[ ]"
1 11 A 0.220 0.098 1 0 "[ ]"
1 12 C 1.371 0.253 1 0 "[ ]"
1 13 C 1.082 0.290 1 0 "[ ]"
1 14 A 0.574 0.212 1 0 "[ ]"
1 15 C 1.077 0.249 1 0 "[ ]"
1 16 U 0.768 0.236 1 0 "[ ]"
1 17 U 0.480 0.114 1 0 "[ ]"
1 18 A 0.115 0.053 1 0 "[ ]"
1 19 A 0.681 0.236 1 0 "[ ]"
1 20 A 0.724 0.184 1 0 "[ ]"
1 21 A 0.458 0.162 1 0 "[ ]"
1 22 A 0.155 0.087 1 0 "[ ]"
1 23 C 0.271 0.138 1 0 "[ ]"
1 24 A 0.288 0.137 1 0 "[ ]"
1 25 C 0.937 0.215 1 0 "[ ]"
1 26 C 0.748 0.214 1 0 "[ ]"
1 27 G 0.804 0.353 1 0 "[ ]"
1 28 G 0.198 0.198 1 0 "[ ]"
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 2 G H1 1 16 U H1' 4.000 3.000 5.600 5.183 5.183 5.183 . 0 0 "[ ]" 1
2 1 2 G H2' 1 3 U H3 4.500 3.500 5.500 5.569 5.569 5.569 0.069 1 0 "[ ]" 1
3 1 2 G H1 1 19 A H61 4.500 3.700 5.300 4.674 4.674 4.674 . 0 0 "[ ]" 1
4 1 2 G H1 1 19 A H62 4.500 3.700 5.300 5.404 5.404 5.404 0.104 1 0 "[ ]" 1
5 1 3 U H3 1 4 G H1' 4.500 3.800 5.200 4.834 4.834 4.834 . 0 0 "[ ]" 1
6 1 3 U H3 1 15 C H1' 4.000 3.300 4.700 4.949 4.949 4.949 0.249 1 0 "[ ]" 1
7 1 3 U H3 1 4 G H1 5.000 3.500 6.500 4.345 4.345 4.345 . 0 0 "[ ]" 1
8 1 3 U H3 1 19 A H61 4.500 3.700 5.300 4.350 4.350 4.350 . 0 0 "[ ]" 1
9 1 3 U H3 1 19 A H62 4.500 3.700 5.300 4.599 4.599 4.599 . 0 0 "[ ]" 1
10 1 3 U H3 1 21 A H61 4.500 3.700 5.300 4.741 4.741 4.741 . 0 0 "[ ]" 1
11 1 3 U H3 1 21 A H62 4.500 3.700 5.300 5.302 5.302 5.302 0.002 1 0 "[ ]" 1
12 1 4 G H1 1 5 G H1' 3.500 2.800 4.500 4.304 4.304 4.304 . 0 0 "[ ]" 1
13 1 4 G H1 1 21 A H61 4.500 3.700 5.300 4.031 4.031 4.031 . 0 0 "[ ]" 1
14 1 4 G H1 1 21 A H62 4.500 3.700 5.300 5.375 5.375 5.375 0.075 1 0 "[ ]" 1
15 1 5 G H1 1 12 C H2' 4.500 3.500 5.500 5.316 5.316 5.316 . 0 0 "[ ]" 1
16 1 5 G H1 1 24 A H61 4.500 3.700 5.300 4.723 4.723 4.723 . 0 0 "[ ]" 1
17 1 5 G H1 1 24 A H62 4.500 3.700 5.300 5.319 5.319 5.319 0.019 1 0 "[ ]" 1
18 1 10 G H1 1 12 C H5' 4.000 3.100 4.900 4.432 4.432 4.432 . 0 0 "[ ]" 1
19 1 10 G H1 1 12 C H3' 4.500 3.500 5.500 5.177 5.177 5.177 . 0 0 "[ ]" 1
20 1 10 G H1 1 12 C H6 4.500 3.500 5.500 3.617 3.617 3.617 . 0 0 "[ ]" 1
21 1 10 G H1 1 12 C H41 4.500 3.200 5.800 5.984 5.984 5.984 0.184 1 0 "[ ]" 1
22 1 10 G H1 1 27 G H1 5.500 4.000 7.000 4.203 4.203 4.203 . 0 0 "[ ]" 1
23 1 6 CH H42 1 10 G H8 4.000 3.000 5.000 4.135 4.135 4.135 . 0 0 "[ ]" 1
24 1 6 CH H41 1 10 G H8 4.500 3.500 5.500 4.110 4.110 4.110 . 0 0 "[ ]" 1
25 1 6 CH H41 1 12 C H1' 5.000 4.000 6.000 6.195 6.195 6.195 0.195 1 0 "[ ]" 1
26 1 6 CH H42 1 12 C H1' 5.000 4.000 6.000 4.620 4.620 4.620 . 0 0 "[ ]" 1
27 1 1 A H2 1 16 U H3 3.000 2.500 3.500 2.769 2.769 2.769 . 0 0 "[ ]" 1
28 1 2 G H1 1 3 U H3 3.000 2.300 3.700 3.589 3.589 3.589 . 0 0 "[ ]" 1
29 1 2 G H1 1 16 U H3 3.300 2.600 4.000 3.440 3.440 3.440 . 0 0 "[ ]" 1
30 1 2 G H1 1 15 C H42 2.500 . 3.500 3.730 3.730 3.730 0.230 1 0 "[ ]" 1
31 1 2 G H1 1 15 C H41 2.500 . 3.000 2.206 2.206 2.206 . 0 0 "[ ]" 1
32 1 3 U H3 1 14 A H2 3.000 2.500 3.500 2.604 2.604 2.604 . 0 0 "[ ]" 1
33 1 3 U H2' 1 3 U H3 4.000 3.000 5.000 4.929 4.929 4.929 . 0 0 "[ ]" 1
34 1 4 G H1 1 5 G H1 3.500 2.800 4.200 4.262 4.262 4.262 0.062 1 0 "[ ]" 1
35 1 4 G H1 1 13 C H42 3.000 2.200 3.800 3.874 3.874 3.874 0.074 1 0 "[ ]" 1
36 1 4 G H1 1 13 C H41 2.000 . 3.000 2.373 2.373 2.373 . 0 0 "[ ]" 1
37 1 5 G H1 1 10 G H1' 5.000 3.000 7.000 7.236 7.236 7.236 0.236 1 0 "[ ]" 1
38 1 5 G H1 1 6 CH H5 4.000 3.000 5.000 4.672 4.672 4.672 . 0 0 "[ ]" 1
39 1 5 G H1 1 6 CH H41 3.300 2.500 4.100 3.335 3.335 3.335 . 0 0 "[ ]" 1
40 1 5 G H1 1 6 CH H42 3.300 2.500 4.100 3.233 3.233 3.233 . 0 0 "[ ]" 1
41 1 5 G H1 1 12 C H42 3.000 2.300 3.700 3.813 3.813 3.813 0.113 1 0 "[ ]" 1
42 1 5 G H1 1 12 C H41 2.500 . 3.000 2.266 2.266 2.266 . 0 0 "[ ]" 1
43 1 5 G H1 1 13 C H42 3.000 2.500 3.500 3.336 3.336 3.336 . 0 0 "[ ]" 1
44 1 5 G H1 1 13 C H41 3.000 2.500 3.500 3.170 3.170 3.170 . 0 0 "[ ]" 1
45 1 27 G H1 1 28 G H1 3.000 . 4.000 3.550 3.550 3.550 . 0 0 "[ ]" 1
46 1 9 C H42 1 27 G H1 2.700 2.200 3.200 3.553 3.553 3.553 0.353 1 0 "[ ]" 1
47 1 9 C H41 1 27 G H1 2.300 . 2.800 2.019 2.019 2.019 . 0 0 "[ ]" 1
48 1 10 G H1 1 12 C H1' 2.500 . 3.000 1.930 1.930 1.930 0.070 1 0 "[ ]" 1
49 1 10 G H1 1 12 C H2' 3.500 3.000 4.300 4.485 4.485 4.485 0.185 1 0 "[ ]" 1
50 1 10 G H1 1 12 C H5'' 4.000 3.000 5.500 5.479 5.479 5.479 . 0 0 "[ ]" 1
51 1 10 G H1 1 26 C H42 3.000 2.200 3.800 3.891 3.891 3.891 0.091 1 0 "[ ]" 1
52 1 10 G H1 1 26 C H41 2.000 . 2.800 2.381 2.381 2.381 . 0 0 "[ ]" 1
53 1 12 C H1' 1 12 C HO2' 2.500 . 3.000 2.292 2.292 2.292 . 0 0 "[ ]" 1
54 1 12 C H2' 1 12 C HO2' 2.000 . 2.500 2.201 2.201 2.201 . 0 0 "[ ]" 1
55 1 12 C HO2' 1 13 C H6 3.300 2.600 4.000 4.142 4.142 4.142 0.142 1 0 "[ ]" 1
56 1 13 C H1' 1 13 C HO2' 2.500 . 3.000 2.587 2.587 2.587 . 0 0 "[ ]" 1
57 1 13 C H2' 1 13 C HO2' 2.000 . 2.500 2.108 2.108 2.108 . 0 0 "[ ]" 1
58 1 13 C H3' 1 13 C HO2' 3.000 2.500 3.500 3.790 3.790 3.790 0.290 1 0 "[ ]" 1
59 1 13 C HO2' 1 14 A H5' 3.000 . 4.000 2.882 2.882 2.882 . 0 0 "[ ]" 1
60 1 13 C HO2' 1 14 A H5'' 3.000 . 4.000 4.080 4.080 4.080 0.080 1 0 "[ ]" 1
61 1 13 C HO2' 1 14 A H8 3.500 2.800 4.200 4.192 4.192 4.192 . 0 0 "[ ]" 1
62 1 13 C HO2' 1 24 A H2 3.500 2.500 4.500 2.566 2.566 2.566 . 0 0 "[ ]" 1
63 1 13 C HO2' 1 21 A H2 4.300 3.300 5.300 4.929 4.929 4.929 . 0 0 "[ ]" 1
64 1 13 C HO2' 1 22 A H2 3.000 . 4.000 4.033 4.033 4.033 0.033 1 0 "[ ]" 1
65 1 13 C HO2' 1 22 A H61 3.500 2.500 4.500 2.621 2.621 2.621 . 0 0 "[ ]" 1
66 1 1 A H1' 1 1 A H2' 2.500 . 3.000 2.794 2.794 2.794 . 0 0 "[ ]" 1
67 1 1 A H1' 1 1 A H3' 3.300 2.600 4.000 3.818 3.818 3.818 . 0 0 "[ ]" 1
68 1 1 A H1' 1 1 A H4' 4.300 3.600 5.000 3.324 3.324 3.324 0.276 1 0 "[ ]" 1
69 1 1 A H2' 1 1 A H4' 5.000 3.700 6.000 3.803 3.803 3.803 . 0 0 "[ ]" 1
70 1 1 A H3' 1 1 A H4' 3.300 2.800 4.000 3.108 3.108 3.108 . 0 0 "[ ]" 1
71 1 1 A H3' 1 1 A H5' 4.300 3.800 5.300 3.717 3.717 3.717 0.083 1 0 "[ ]" 1
72 1 1 A H3' 1 1 A H5'' 5.000 3.500 6.000 3.641 3.641 3.641 . 0 0 "[ ]" 1
73 1 1 A H4' 1 1 A H5' 2.500 . 3.200 2.572 2.572 2.572 . 0 0 "[ ]" 1
74 1 1 A H4' 1 1 A H5'' 2.500 . 3.200 2.236 2.236 2.236 . 0 0 "[ ]" 1
75 1 1 A H1' 1 1 A H8 3.300 2.800 4.300 3.492 3.492 3.492 . 0 0 "[ ]" 1
76 1 1 A H2' 1 1 A H8 3.300 2.600 4.000 4.151 4.151 4.151 0.151 1 0 "[ ]" 1
77 1 1 A H2' 1 2 G H8 3.500 2.600 4.200 2.516 2.516 2.516 0.084 1 0 "[ ]" 1
78 1 1 A H3' 1 1 A H8 4.300 3.300 5.300 3.465 3.465 3.465 . 0 0 "[ ]" 1
79 1 1 A H5' 1 1 A H8 5.000 4.000 6.000 3.943 3.943 3.943 0.057 1 0 "[ ]" 1
80 1 1 A H5'' 1 1 A H8 5.000 4.000 6.000 5.191 5.191 5.191 . 0 0 "[ ]" 1
81 1 1 A H2 1 17 U H5 4.000 3.300 4.700 4.132 4.132 4.132 . 0 0 "[ ]" 1
82 1 2 G H1' 1 2 G H2' 2.500 . 3.000 2.762 2.762 2.762 . 0 0 "[ ]" 1
83 1 2 G H1' 1 2 G H3' 4.300 3.500 5.100 3.772 3.772 3.772 . 0 0 "[ ]" 1
84 1 2 G H1' 1 2 G H4' 4.300 3.300 4.800 3.173 3.173 3.173 0.127 1 0 "[ ]" 1
85 1 2 G H2' 1 2 G H3' 2.500 . 3.000 2.437 2.437 2.437 . 0 0 "[ ]" 1
86 1 2 G H2' 1 2 G H4' 5.000 4.000 6.000 3.849 3.849 3.849 0.151 1 0 "[ ]" 1
87 1 2 G H3' 1 2 G H4' 3.300 2.500 4.100 3.176 3.176 3.176 . 0 0 "[ ]" 1
88 1 2 G H3' 1 2 G H5' 4.300 3.300 4.800 3.891 3.891 3.891 . 0 0 "[ ]" 1
89 1 2 G H3' 1 2 G H5'' 5.000 4.000 6.000 3.725 3.725 3.725 0.275 1 0 "[ ]" 1
90 1 2 G H4' 1 2 G H5' 2.500 . 3.000 2.469 2.469 2.469 . 0 0 "[ ]" 1
91 1 2 G H4' 1 2 G H5'' 2.500 . 3.200 2.371 2.371 2.371 . 0 0 "[ ]" 1
92 1 2 G H2' 1 3 U H1' 4.300 3.300 5.300 4.277 4.277 4.277 . 0 0 "[ ]" 1
93 1 2 G H1' 1 3 U H6 5.000 4.000 6.000 5.104 5.104 5.104 . 0 0 "[ ]" 1
94 1 1 A H2 1 2 G H1' 2.500 . 3.200 3.288 3.288 3.288 0.088 1 0 "[ ]" 1
95 1 2 G H2' 1 3 U H5 3.300 2.300 4.800 3.183 3.183 3.183 . 0 0 "[ ]" 1
96 1 2 G H2' 1 3 U H6 2.500 . 3.200 2.382 2.382 2.382 . 0 0 "[ ]" 1
97 1 2 G H3' 1 2 G H8 4.300 3.300 4.800 3.462 3.462 3.462 . 0 0 "[ ]" 1
98 1 2 G H3' 1 3 U H5 3.700 2.800 4.600 3.724 3.724 3.724 . 0 0 "[ ]" 1
99 1 2 G H3' 1 3 U H6 3.700 3.000 4.400 3.347 3.347 3.347 . 0 0 "[ ]" 1
100 1 2 G H4' 1 2 G H8 5.000 4.000 6.000 4.767 4.767 4.767 . 0 0 "[ ]" 1
101 1 3 U H1' 1 3 U H2' 2.500 . 3.000 2.647 2.647 2.647 . 0 0 "[ ]" 1
102 1 3 U H3' 1 3 U H5' 4.300 3.500 5.100 3.900 3.900 3.900 . 0 0 "[ ]" 1
103 1 3 U H3' 1 3 U H5'' 4.300 3.500 5.100 3.324 3.324 3.324 0.176 1 0 "[ ]" 1
104 1 3 U H4' 1 3 U H5' 2.500 . 3.300 2.418 2.418 2.418 . 0 0 "[ ]" 1
105 1 3 U H4' 1 3 U H5'' 2.500 . 3.300 2.482 2.482 2.482 . 0 0 "[ ]" 1
106 1 3 U H1' 1 3 U H6 4.300 3.300 4.800 3.619 3.619 3.619 . 0 0 "[ ]" 1
107 1 3 U H1' 1 4 G H8 4.300 3.300 4.800 4.658 4.658 4.658 . 0 0 "[ ]" 1
108 1 3 U H2' 1 3 U H6 4.000 3.000 5.000 3.969 3.969 3.969 . 0 0 "[ ]" 1
109 1 3 U H2' 1 4 G H8 3.200 2.500 4.500 2.683 2.683 2.683 . 0 0 "[ ]" 1
110 1 3 U H3' 1 3 U H6 3.300 2.700 3.900 2.750 2.750 2.750 . 0 0 "[ ]" 1
111 1 4 G H1' 1 4 G H2' 2.500 . 3.500 2.682 2.682 2.682 . 0 0 "[ ]" 1
112 1 4 G H1' 1 4 G H3' 4.300 3.600 5.000 3.764 3.764 3.764 . 0 0 "[ ]" 1
113 1 4 G H1' 1 4 G H4' 3.500 2.800 4.200 3.039 3.039 3.039 . 0 0 "[ ]" 1
114 1 4 G H4' 1 4 G H5' 2.500 . 3.000 2.412 2.412 2.412 . 0 0 "[ ]" 1
115 1 4 G H4' 1 4 G H5'' 2.500 . 3.000 2.447 2.447 2.447 . 0 0 "[ ]" 1
116 1 4 G H4' 1 19 A H2' 5.000 3.500 6.500 5.560 5.560 5.560 . 0 0 "[ ]" 1
117 1 4 G H5' 1 19 A H2' 5.000 3.500 6.500 4.188 4.188 4.188 . 0 0 "[ ]" 1
118 1 4 G H5'' 1 19 A H2' 5.000 3.500 6.500 5.354 5.354 5.354 . 0 0 "[ ]" 1
119 1 4 G H1' 1 4 G H8 5.000 3.800 6.200 3.798 3.798 3.798 0.002 1 0 "[ ]" 1
120 1 4 G H1' 1 14 A H2 5.000 3.500 6.500 4.007 4.007 4.007 . 0 0 "[ ]" 1
121 1 4 G H2' 1 5 G H8 3.000 . 4.000 3.450 3.450 3.450 . 0 0 "[ ]" 1
122 1 4 G H3' 1 4 G H8 4.300 3.300 5.300 3.491 3.491 3.491 . 0 0 "[ ]" 1
123 1 4 G H3' 1 5 G H8 3.500 2.500 5.000 4.011 4.011 4.011 . 0 0 "[ ]" 1
124 1 4 G H4' 1 4 G H8 5.000 4.000 6.000 4.929 4.929 4.929 . 0 0 "[ ]" 1
125 1 4 G H4' 1 20 A H8 4.300 3.600 5.000 3.554 3.554 3.554 0.046 1 0 "[ ]" 1
126 1 4 G H5' 1 4 G H8 5.000 4.000 6.000 4.768 4.768 4.768 . 0 0 "[ ]" 1
127 1 4 G H5' 1 20 A H8 4.300 3.300 5.300 4.513 4.513 4.513 . 0 0 "[ ]" 1
128 1 4 G H5'' 1 20 A H8 4.300 3.300 5.300 5.333 5.333 5.333 0.033 1 0 "[ ]" 1
129 1 5 G H1' 1 5 G H2' 2.500 . 3.000 2.695 2.695 2.695 . 0 0 "[ ]" 1
130 1 5 G H1' 1 5 G H3' 4.300 3.300 5.300 3.845 3.845 3.845 . 0 0 "[ ]" 1
131 1 5 G H1' 1 5 G H4' 3.300 2.300 4.300 3.338 3.338 3.338 . 0 0 "[ ]" 1
132 1 5 G H2' 1 5 G H3' 2.500 . 3.500 2.250 2.250 2.250 . 0 0 "[ ]" 1
133 1 5 G H2' 1 6 CH H5' 5.000 4.000 6.000 5.519 5.519 5.519 . 0 0 "[ ]" 1
134 1 5 G H1' 1 5 G H8 4.300 3.300 5.300 3.579 3.579 3.579 . 0 0 "[ ]" 1
135 1 5 G H2' 1 5 G H8 5.000 4.000 6.000 3.984 3.984 3.984 0.016 1 0 "[ ]" 1
136 1 5 G H2' 1 6 CH H5 5.000 4.000 6.000 3.880 3.880 3.880 0.120 1 0 "[ ]" 1
137 1 5 G H2' 1 6 CH H6 2.500 . 3.500 2.767 2.767 2.767 . 0 0 "[ ]" 1
138 1 5 G H3' 1 6 CH H6 3.300 2.300 4.500 4.174 4.174 4.174 . 0 0 "[ ]" 1
139 1 5 G H4' 1 5 G H8 5.000 3.500 6.500 4.757 4.757 4.757 . 0 0 "[ ]" 1
140 1 6 CH H1' 1 6 CH H2' 2.500 . 3.000 2.672 2.672 2.672 . 0 0 "[ ]" 1
141 1 6 CH H1' 1 6 CH H3' 4.300 3.500 5.100 3.757 3.757 3.757 . 0 0 "[ ]" 1
142 1 6 CH H1' 1 6 CH H4' 3.300 2.600 4.300 2.771 2.771 2.771 . 0 0 "[ ]" 1
143 1 6 CH H2' 1 6 CH H3' 2.500 . 3.300 2.458 2.458 2.458 . 0 0 "[ ]" 1
144 1 6 CH H3' 1 6 CH H4' 4.300 3.500 5.100 3.204 3.204 3.204 0.296 1 0 "[ ]" 1
145 1 6 CH H3' 1 6 CH H5' 4.300 3.600 5.000 3.638 3.638 3.638 . 0 0 "[ ]" 1
146 1 6 CH H4' 1 6 CH H5' 3.300 2.600 4.000 2.444 2.444 2.444 0.156 1 0 "[ ]" 1
147 1 6 CH H4' 1 6 CH H5'' 3.300 2.600 4.000 3.090 3.090 3.090 . 0 0 "[ ]" 1
148 1 6 CH H1' 1 6 CH H6 4.500 3.000 6.000 3.660 3.660 3.660 . 0 0 "[ ]" 1
149 1 6 CH H2' 1 6 CH H6 4.500 3.500 5.500 3.772 3.772 3.772 . 0 0 "[ ]" 1
150 1 6 CH H3' 1 6 CH H6 3.300 2.300 4.300 3.262 3.262 3.262 . 0 0 "[ ]" 1
151 1 6 CH H4' 1 6 CH H6 5.000 4.000 6.000 4.642 4.642 4.642 . 0 0 "[ ]" 1
152 1 6 CH H5' 1 6 CH H6 4.300 3.300 5.300 5.321 5.321 5.321 0.021 1 0 "[ ]" 1
153 1 6 CH H5'' 1 6 CH H6 4.300 3.300 5.300 4.066 4.066 4.066 . 0 0 "[ ]" 1
154 1 7 G H1' 1 7 G H2' 2.500 . 3.000 2.751 2.751 2.751 . 0 0 "[ ]" 1
155 1 7 G H1' 1 7 G H4' 3.500 2.500 4.500 3.851 3.851 3.851 . 0 0 "[ ]" 1
156 1 7 G H2' 1 7 G H3' 3.000 2.300 3.700 2.306 2.306 2.306 . 0 0 "[ ]" 1
157 1 7 G H2' 1 7 G H4' 4.300 3.300 5.300 4.099 4.099 4.099 . 0 0 "[ ]" 1
158 1 7 G H3' 1 7 G H4' 3.000 2.300 3.700 2.824 2.824 2.824 . 0 0 "[ ]" 1
159 1 7 G H2' 1 8 C H6 3.300 2.300 4.300 3.688 3.688 3.688 . 0 0 "[ ]" 1
160 1 7 G H3' 1 8 C H6 4.300 3.300 5.300 3.214 3.214 3.214 0.086 1 0 "[ ]" 1
161 1 8 C H1' 1 8 C H2' 2.500 . 3.000 2.702 2.702 2.702 . 0 0 "[ ]" 1
162 1 8 C H1' 1 8 C H3' 4.300 3.600 5.000 3.655 3.655 3.655 . 0 0 "[ ]" 1
163 1 8 C H1' 1 8 C H4' 3.300 2.600 4.000 3.240 3.240 3.240 . 0 0 "[ ]" 1
164 1 8 C H2' 1 8 C H3' 2.700 2.200 3.200 2.299 2.299 2.299 . 0 0 "[ ]" 1
165 1 8 C H3' 1 8 C H4' 3.000 2.300 3.700 3.090 3.090 3.090 . 0 0 "[ ]" 1
166 1 8 C H3' 1 8 C H5' 3.700 2.700 4.700 3.829 3.829 3.829 . 0 0 "[ ]" 1
167 1 8 C H3' 1 8 C H5'' 4.300 3.300 5.300 3.363 3.363 3.363 . 0 0 "[ ]" 1
168 1 8 C H4' 1 8 C H5' 3.300 2.600 4.000 2.563 2.563 2.563 0.037 1 0 "[ ]" 1
169 1 8 C H4' 1 8 C H5'' 3.300 2.600 4.000 2.472 2.472 2.472 0.128 1 0 "[ ]" 1
170 1 8 C H1' 1 8 C H6 4.000 2.800 5.200 3.571 3.571 3.571 . 0 0 "[ ]" 1
171 1 8 C H2' 1 9 C H6 2.500 . 3.200 3.057 3.057 3.057 . 0 0 "[ ]" 1
172 1 8 C H3' 1 8 C H5 5.000 4.000 6.000 5.108 5.108 5.108 . 0 0 "[ ]" 1
173 1 8 C H3' 1 8 C H6 4.300 3.600 5.000 3.231 3.231 3.231 0.369 1 0 "[ ]" 1
174 1 8 C H3' 1 9 C H6 3.300 2.600 4.300 2.853 2.853 2.853 . 0 0 "[ ]" 1
175 1 8 C H4' 1 8 C H6 5.000 3.500 6.500 4.266 4.266 4.266 . 0 0 "[ ]" 1
176 1 8 C H5' 1 8 C H6 5.000 3.500 6.500 3.412 3.412 3.412 0.088 1 0 "[ ]" 1
177 1 8 C H5' 1 9 C H6 5.000 3.500 6.500 6.610 6.610 6.610 0.110 1 0 "[ ]" 1
178 1 8 C H5'' 1 8 C H6 5.000 3.500 6.500 4.292 4.292 4.292 . 0 0 "[ ]" 1
179 1 8 C H5'' 1 9 C H5 5.000 3.500 6.500 6.353 6.353 6.353 . 0 0 "[ ]" 1
180 1 8 C H5 1 9 C H6 5.000 4.000 6.000 5.941 5.941 5.941 . 0 0 "[ ]" 1
181 1 8 C H6 1 9 C H5 4.000 3.000 5.000 3.936 3.936 3.936 . 0 0 "[ ]" 1
182 1 9 C H1' 1 9 C H2' 2.700 2.200 3.200 2.820 2.820 2.820 . 0 0 "[ ]" 1
183 1 9 C H1' 1 9 C H3' 4.300 3.600 5.000 3.773 3.773 3.773 . 0 0 "[ ]" 1
184 1 9 C H1' 1 9 C H4' 3.300 2.600 4.000 2.699 2.699 2.699 . 0 0 "[ ]" 1
185 1 9 C H2' 1 9 C H3' 3.000 2.200 3.800 2.378 2.378 2.378 . 0 0 "[ ]" 1
186 1 9 C H2' 1 10 G H5'' 4.300 3.300 5.300 5.272 5.272 5.272 . 0 0 "[ ]" 1
187 1 9 C H3' 1 9 C H5' 4.300 3.300 5.300 3.729 3.729 3.729 . 0 0 "[ ]" 1
188 1 9 C H4' 1 9 C H5' 3.300 2.500 4.100 2.300 2.300 2.300 0.200 1 0 "[ ]" 1
189 1 9 C H4' 1 9 C H5'' 3.300 2.500 4.100 2.902 2.902 2.902 . 0 0 "[ ]" 1
190 1 9 C H1' 1 9 C H6 4.300 3.300 5.300 3.616 3.616 3.616 . 0 0 "[ ]" 1
191 1 9 C H2' 1 9 C H6 3.700 2.700 4.700 4.010 4.010 4.010 . 0 0 "[ ]" 1
192 1 9 C H2' 1 10 G H8 2.700 . 3.500 2.142 2.142 2.142 . 0 0 "[ ]" 1
193 1 9 C H3' 1 9 C H6 4.300 3.300 5.300 3.635 3.635 3.635 . 0 0 "[ ]" 1
194 1 9 C H3' 1 10 G H8 3.700 2.700 4.700 3.132 3.132 3.132 . 0 0 "[ ]" 1
195 1 10 G H1' 1 10 G H2' 2.500 . 3.000 2.649 2.649 2.649 . 0 0 "[ ]" 1
196 1 10 G H1' 1 10 G H3' 4.300 3.600 5.000 3.731 3.731 3.731 . 0 0 "[ ]" 1
197 1 10 G H1' 1 10 G H4' 3.300 2.600 4.000 3.165 3.165 3.165 . 0 0 "[ ]" 1
198 1 10 G H2' 1 10 G H3' 2.500 . 3.000 2.179 2.179 2.179 . 0 0 "[ ]" 1
199 1 10 G H3' 1 10 G H4' 3.300 2.500 4.100 3.143 3.143 3.143 . 0 0 "[ ]" 1
200 1 10 G H3' 1 10 G H5' 4.300 3.300 5.300 4.078 4.078 4.078 . 0 0 "[ ]" 1
201 1 10 G H3' 1 10 G H5'' 4.300 3.500 5.100 3.153 3.153 3.153 0.347 1 0 "[ ]" 1
202 1 10 G H4' 1 10 G H5' 3.300 2.500 4.100 2.378 2.378 2.378 0.122 1 0 "[ ]" 1
203 1 10 G H4' 1 10 G H5'' 3.300 2.500 4.100 2.779 2.779 2.779 . 0 0 "[ ]" 1
204 1 10 G H2' 1 11 A H4' 5.000 4.000 6.000 4.689 4.689 4.689 . 0 0 "[ ]" 1
205 1 10 G H2' 1 11 A H5' 4.300 3.300 5.600 4.282 4.282 4.282 . 0 0 "[ ]" 1
206 1 10 G H2' 1 11 A H5'' 4.300 3.300 5.600 3.240 3.240 3.240 0.060 1 0 "[ ]" 1
207 1 10 G H1' 1 10 G H8 4.300 3.300 5.300 3.678 3.678 3.678 . 0 0 "[ ]" 1
208 1 10 G H2' 1 10 G H8 3.300 2.600 4.000 4.051 4.051 4.051 0.051 1 0 "[ ]" 1
209 1 10 G H2' 1 12 C H5 3.500 2.500 4.500 2.247 2.247 2.247 0.253 1 0 "[ ]" 1
210 1 10 G H2' 1 12 C H6 5.000 4.000 6.000 4.249 4.249 4.249 . 0 0 "[ ]" 1
211 1 10 G H3' 1 10 G H8 3.700 2.700 5.200 3.564 3.564 3.564 . 0 0 "[ ]" 1
212 1 10 G H3' 1 12 C H5 4.300 3.300 5.300 3.875 3.875 3.875 . 0 0 "[ ]" 1
213 1 10 G H8 1 12 C H5 5.000 4.000 6.000 4.259 4.259 4.259 . 0 0 "[ ]" 1
214 1 11 A H1' 1 11 A H2' 2.500 . 3.000 3.028 3.028 3.028 0.028 1 0 "[ ]" 1
215 1 11 A H1' 1 11 A H3' 4.300 3.600 5.000 3.815 3.815 3.815 . 0 0 "[ ]" 1
216 1 11 A H1' 1 11 A H4' 3.300 2.600 4.000 2.765 2.765 2.765 . 0 0 "[ ]" 1
217 1 11 A H1' 1 11 A H5' 5.000 4.000 6.000 4.467 4.467 4.467 . 0 0 "[ ]" 1
218 1 11 A H1' 1 11 A H5'' 5.000 4.000 6.000 4.821 4.821 4.821 . 0 0 "[ ]" 1
219 1 11 A H2' 1 11 A H3' 2.500 . 3.000 2.249 2.249 2.249 . 0 0 "[ ]" 1
220 1 11 A H2' 1 11 A H4' 5.000 4.000 6.000 3.902 3.902 3.902 0.098 1 0 "[ ]" 1
221 1 11 A H2' 1 11 A H5' 4.300 3.300 5.300 4.532 4.532 4.532 . 0 0 "[ ]" 1
222 1 11 A H2' 1 11 A H5'' 5.000 4.000 6.000 4.576 4.576 4.576 . 0 0 "[ ]" 1
223 1 11 A H3' 1 11 A H4' 3.300 2.600 4.000 2.952 2.952 2.952 . 0 0 "[ ]" 1
224 1 11 A H3' 1 11 A H5' 3.300 2.700 3.900 3.554 3.554 3.554 . 0 0 "[ ]" 1
225 1 11 A H3' 1 11 A H5'' 3.300 2.600 4.300 2.809 2.809 2.809 . 0 0 "[ ]" 1
226 1 11 A H4' 1 11 A H5' 2.500 . 3.100 2.582 2.582 2.582 . 0 0 "[ ]" 1
227 1 11 A H4' 1 11 A H5'' 2.500 . 3.100 2.387 2.387 2.387 . 0 0 "[ ]" 1
228 1 11 A H1' 1 11 A H8 3.300 2.300 4.300 3.802 3.802 3.802 . 0 0 "[ ]" 1
229 1 11 A H2' 1 11 A H8 2.800 2.300 3.600 3.163 3.163 3.163 . 0 0 "[ ]" 1
230 1 11 A H3' 1 11 A H8 4.300 3.600 5.000 4.564 4.564 4.564 . 0 0 "[ ]" 1
231 1 11 A H3' 1 12 C H5 4.000 2.500 5.500 2.778 2.778 2.778 . 0 0 "[ ]" 1
232 1 11 A H3' 1 12 C H6 5.000 3.500 6.500 3.475 3.475 3.475 0.025 1 0 "[ ]" 1
233 1 11 A H4' 1 11 A H8 5.500 4.000 7.000 4.823 4.823 4.823 . 0 0 "[ ]" 1
234 1 11 A H4' 1 12 C H5 3.700 2.900 4.600 4.609 4.609 4.609 0.009 1 0 "[ ]" 1
235 1 11 A H4' 1 12 C H6 4.300 3.300 5.300 4.639 4.639 4.639 . 0 0 "[ ]" 1
236 1 11 A H5' 1 11 A H8 4.300 2.800 5.800 4.274 4.274 4.274 . 0 0 "[ ]" 1
237 1 11 A H5'' 1 11 A H8 5.000 4.000 6.000 5.423 5.423 5.423 . 0 0 "[ ]" 1
238 1 11 A H5' 1 12 C H5 5.000 3.500 6.000 5.206 5.206 5.206 . 0 0 "[ ]" 1
239 1 11 A H5'' 1 12 C H5 5.000 3.500 6.000 3.635 3.635 3.635 . 0 0 "[ ]" 1
240 1 12 C H1' 1 12 C H2' 2.500 . 3.000 2.687 2.687 2.687 . 0 0 "[ ]" 1
241 1 12 C H1' 1 12 C H3' 4.300 3.600 5.000 3.893 3.893 3.893 . 0 0 "[ ]" 1
242 1 12 C H1' 1 12 C H4' 3.300 2.800 4.300 3.458 3.458 3.458 . 0 0 "[ ]" 1
243 1 12 C H2' 1 12 C H3' 2.500 . 3.300 2.384 2.384 2.384 . 0 0 "[ ]" 1
244 1 12 C H2' 1 12 C H4' 5.000 4.000 6.000 3.966 3.966 3.966 0.034 1 0 "[ ]" 1
245 1 12 C H3' 1 12 C H4' 2.500 . 3.200 2.983 2.983 2.983 . 0 0 "[ ]" 1
246 1 12 C H3' 1 12 C H5' 4.300 2.800 5.300 3.393 3.393 3.393 . 0 0 "[ ]" 1
247 1 12 C H3' 1 12 C H5'' 4.300 3.300 5.300 3.340 3.340 3.340 . 0 0 "[ ]" 1
248 1 12 C H4' 1 12 C H5' 2.500 . 3.200 2.740 2.740 2.740 . 0 0 "[ ]" 1
249 1 12 C H2' 1 13 C H5'' 5.000 4.000 6.000 4.928 4.928 4.928 . 0 0 "[ ]" 1
250 1 12 C H1' 1 12 C H6 4.300 3.300 5.300 3.491 3.491 3.491 . 0 0 "[ ]" 1
251 1 12 C H1' 1 13 C H6 5.000 4.000 6.000 5.132 5.132 5.132 . 0 0 "[ ]" 1
252 1 12 C H2' 1 13 C H5 3.300 2.500 4.100 3.089 3.089 3.089 . 0 0 "[ ]" 1
253 1 12 C H2' 1 13 C H6 2.500 . 3.000 2.508 2.508 2.508 . 0 0 "[ ]" 1
254 1 12 C H3' 1 12 C H6 3.800 2.800 4.800 3.182 3.182 3.182 . 0 0 "[ ]" 1
255 1 12 C H3' 1 13 C H5 5.000 4.000 6.000 3.942 3.942 3.942 0.058 1 0 "[ ]" 1
256 1 12 C H3' 1 13 C H6 3.300 2.800 4.300 3.625 3.625 3.625 . 0 0 "[ ]" 1
257 1 12 C H5' 1 12 C H6 4.300 2.600 6.000 2.497 2.497 2.497 0.103 1 0 "[ ]" 1
258 1 13 C H1' 1 13 C H2' 2.500 . 3.000 2.754 2.754 2.754 . 0 0 "[ ]" 1
259 1 13 C H1' 1 13 C H3' 5.000 4.000 6.000 3.857 3.857 3.857 0.143 1 0 "[ ]" 1
260 1 13 C H2' 1 13 C H3' 2.500 . 3.200 2.375 2.375 2.375 . 0 0 "[ ]" 1
261 1 13 C H2' 1 13 C H4' 4.300 3.600 5.000 3.775 3.775 3.775 . 0 0 "[ ]" 1
262 1 13 C H3' 1 13 C H4' 2.500 . 3.200 3.031 3.031 3.031 . 0 0 "[ ]" 1
263 1 13 C H3' 1 13 C H5' 3.300 2.600 4.000 3.787 3.787 3.787 . 0 0 "[ ]" 1
264 1 13 C H4' 1 13 C H5' 2.500 . 3.000 2.239 2.239 2.239 . 0 0 "[ ]" 1
265 1 13 C H4' 1 13 C H5'' 2.500 . 3.200 2.629 2.629 2.629 . 0 0 "[ ]" 1
266 1 13 C H2' 1 14 A H1' 4.500 3.500 5.500 4.274 4.274 4.274 . 0 0 "[ ]" 1
267 1 13 C H2' 1 14 A H4' 5.000 4.000 6.000 4.238 4.238 4.238 . 0 0 "[ ]" 1
268 1 13 C H2' 1 14 A H5' 4.300 3.300 5.300 3.598 3.598 3.598 . 0 0 "[ ]" 1
269 1 13 C H2' 1 14 A H5'' 4.300 2.800 4.800 3.938 3.938 3.938 . 0 0 "[ ]" 1
270 1 13 C H1' 1 13 C H6 5.000 4.000 6.000 3.776 3.776 3.776 0.224 1 0 "[ ]" 1
271 1 13 C H1' 1 14 A H8 5.000 4.000 6.000 4.417 4.417 4.417 . 0 0 "[ ]" 1
272 1 13 C H1' 1 24 A H2 3.300 2.300 4.300 2.417 2.417 2.417 . 0 0 "[ ]" 1
273 1 13 C H2' 1 13 C H6 4.300 3.300 5.300 4.008 4.008 4.008 . 0 0 "[ ]" 1
274 1 13 C H2' 1 14 A H8 2.500 . 3.000 2.251 2.251 2.251 . 0 0 "[ ]" 1
275 1 13 C H2' 1 24 A H2 4.300 3.300 5.300 4.160 4.160 4.160 . 0 0 "[ ]" 1
276 1 13 C H3' 1 13 C H6 2.500 . 3.200 3.089 3.089 3.089 . 0 0 "[ ]" 1
277 1 13 C H3' 1 14 A H8 3.300 2.600 4.000 3.429 3.429 3.429 . 0 0 "[ ]" 1
278 1 13 C H4' 1 13 C H6 5.000 4.000 6.000 4.224 4.224 4.224 . 0 0 "[ ]" 1
279 1 13 C H4' 1 24 A H2 4.300 3.300 5.300 3.368 3.368 3.368 . 0 0 "[ ]" 1
280 1 13 C H5' 1 13 C H6 5.000 4.000 6.000 4.242 4.242 4.242 . 0 0 "[ ]" 1
281 1 13 C H5'' 1 13 C H6 5.000 4.000 6.000 3.962 3.962 3.962 0.038 1 0 "[ ]" 1
282 1 14 A H1' 1 14 A H2' 2.500 . 3.000 2.601 2.601 2.601 . 0 0 "[ ]" 1
283 1 14 A H1' 1 14 A H3' 4.300 3.600 5.000 3.791 3.791 3.791 . 0 0 "[ ]" 1
284 1 14 A H1' 1 14 A H4' 3.300 2.600 4.000 3.123 3.123 3.123 . 0 0 "[ ]" 1
285 1 14 A H1' 1 14 A H5' 5.000 3.500 6.500 4.804 4.804 4.804 . 0 0 "[ ]" 1
286 1 14 A H1' 1 14 A H5'' 5.000 3.500 6.500 5.002 5.002 5.002 . 0 0 "[ ]" 1
287 1 14 A H2' 1 14 A H3' 3.300 2.600 4.000 2.488 2.488 2.488 0.112 1 0 "[ ]" 1
288 1 14 A H3' 1 14 A H4' 2.500 . 3.000 3.031 3.031 3.031 0.031 1 0 "[ ]" 1
289 1 14 A H3' 1 14 A H5' 3.300 2.600 4.000 3.775 3.775 3.775 . 0 0 "[ ]" 1
290 1 14 A H4' 1 14 A H5' 2.500 . 3.200 2.239 2.239 2.239 . 0 0 "[ ]" 1
291 1 14 A H4' 1 14 A H5'' 2.500 . 3.200 2.578 2.578 2.578 . 0 0 "[ ]" 1
292 1 14 A H2' 1 15 C H1' 4.000 2.800 5.200 3.595 3.595 3.595 . 0 0 "[ ]" 1
293 1 14 A H1' 1 14 A H8 5.000 4.000 6.000 3.788 3.788 3.788 0.212 1 0 "[ ]" 1
294 1 14 A H1' 1 15 C H6 5.000 4.000 6.000 4.665 4.665 4.665 . 0 0 "[ ]" 1
295 1 14 A H1' 1 21 A H2 3.300 2.300 4.300 2.714 2.714 2.714 . 0 0 "[ ]" 1
296 1 14 A H2' 1 15 C H5 4.300 3.600 5.000 4.182 4.182 4.182 . 0 0 "[ ]" 1
297 1 14 A H2' 1 15 C H6 2.500 . 3.500 2.402 2.402 2.402 . 0 0 "[ ]" 1
298 1 14 A H2' 1 21 A H2 5.000 3.500 6.500 4.683 4.683 4.683 . 0 0 "[ ]" 1
299 1 14 A H3' 1 14 A H8 3.300 2.600 4.000 3.289 3.289 3.289 . 0 0 "[ ]" 1
300 1 14 A H3' 1 15 C H5 4.300 3.300 5.300 4.376 4.376 4.376 . 0 0 "[ ]" 1
301 1 14 A H3' 1 15 C H6 3.500 2.500 4.500 3.210 3.210 3.210 . 0 0 "[ ]" 1
302 1 14 A H4' 1 21 A H2 4.300 2.800 5.800 2.899 2.899 2.899 . 0 0 "[ ]" 1
303 1 14 A H5' 1 14 A H8 5.000 3.500 6.500 4.860 4.860 4.860 . 0 0 "[ ]" 1
304 1 14 A H5' 1 22 A H2 5.000 3.500 6.500 4.590 4.590 4.590 . 0 0 "[ ]" 1
305 1 14 A H5'' 1 14 A H8 5.000 3.500 6.500 4.506 4.506 4.506 . 0 0 "[ ]" 1
306 1 14 A H5'' 1 22 A H2 5.000 3.500 6.500 6.264 6.264 6.264 . 0 0 "[ ]" 1
307 1 15 C H1' 1 15 C H2' 2.500 . 3.000 2.760 2.760 2.760 . 0 0 "[ ]" 1
308 1 15 C H1' 1 15 C H3' 4.300 3.600 5.000 3.766 3.766 3.766 . 0 0 "[ ]" 1
309 1 15 C H1' 1 15 C H4' 3.300 2.600 4.000 2.951 2.951 2.951 . 0 0 "[ ]" 1
310 1 15 C H2' 1 15 C H3' 2.500 . 3.000 2.368 2.368 2.368 . 0 0 "[ ]" 1
311 1 15 C H3' 1 15 C H4' 2.500 . 3.200 2.999 2.999 2.999 . 0 0 "[ ]" 1
312 1 15 C H3' 1 15 C H5' 3.300 2.800 4.100 3.757 3.757 3.757 . 0 0 "[ ]" 1
313 1 15 C H3' 1 15 C H5'' 3.300 2.800 3.800 2.773 2.773 2.773 0.027 1 0 "[ ]" 1
314 1 15 C H4' 1 15 C H5' 2.500 . 3.200 2.367 2.367 2.367 . 0 0 "[ ]" 1
315 1 15 C H4' 1 15 C H5'' 2.500 . 3.200 2.630 2.630 2.630 . 0 0 "[ ]" 1
316 1 15 C H2' 1 16 U H5' 5.000 4.000 6.000 4.833 4.833 4.833 . 0 0 "[ ]" 1
317 1 15 C H1' 1 15 C H6 3.300 2.600 4.000 3.593 3.593 3.593 . 0 0 "[ ]" 1
318 1 14 A H2 1 15 C H1' 5.000 3.500 6.500 3.362 3.362 3.362 0.138 1 0 "[ ]" 1
319 1 15 C H1' 1 16 U H6 4.500 3.000 6.000 5.112 5.112 5.112 . 0 0 "[ ]" 1
320 1 15 C H1' 1 19 A H2 5.000 3.500 6.500 4.759 4.759 4.759 . 0 0 "[ ]" 1
321 1 15 C H1' 1 20 A H2 5.000 4.000 6.000 5.392 5.392 5.392 . 0 0 "[ ]" 1
322 1 15 C H2' 1 15 C H6 4.300 3.500 5.100 3.901 3.901 3.901 . 0 0 "[ ]" 1
323 1 15 C H2' 1 16 U H5 4.300 3.300 4.800 3.997 3.997 3.997 . 0 0 "[ ]" 1
324 1 15 C H2' 1 16 U H6 2.500 . 3.000 2.735 2.735 2.735 . 0 0 "[ ]" 1
325 1 15 C H2' 1 18 A H2 5.000 3.500 6.500 3.896 3.896 3.896 . 0 0 "[ ]" 1
326 1 15 C H3' 1 15 C H6 3.300 2.600 4.000 3.488 3.488 3.488 . 0 0 "[ ]" 1
327 1 15 C H3' 1 16 U H5 4.300 3.600 5.300 4.988 4.988 4.988 . 0 0 "[ ]" 1
328 1 15 C H3' 1 16 U H6 3.300 2.600 4.000 4.074 4.074 4.074 0.074 1 0 "[ ]" 1
329 1 15 C H3' 1 20 A H2 5.000 4.000 6.000 6.167 6.167 6.167 0.167 1 0 "[ ]" 1
330 1 15 C H4' 1 15 C H6 5.000 4.000 6.000 4.475 4.475 4.475 . 0 0 "[ ]" 1
331 1 15 C H4' 1 19 A H2 5.000 3.500 6.500 4.446 4.446 4.446 . 0 0 "[ ]" 1
332 1 15 C H4' 1 20 A H2 4.300 2.800 5.300 3.259 3.259 3.259 . 0 0 "[ ]" 1
333 1 15 C H5' 1 15 C H6 5.000 4.000 6.000 4.621 4.621 4.621 . 0 0 "[ ]" 1
334 1 15 C H5'' 1 15 C H6 5.000 4.000 6.000 4.809 4.809 4.809 . 0 0 "[ ]" 1
335 1 15 C H5' 1 20 A H2 5.000 4.000 6.000 3.816 3.816 3.816 0.184 1 0 "[ ]" 1
336 1 15 C H5'' 1 20 A H2 4.300 3.300 5.800 4.697 4.697 4.697 . 0 0 "[ ]" 1
337 1 15 C H5 1 16 U H5 5.000 3.500 6.500 3.628 3.628 3.628 . 0 0 "[ ]" 1
338 1 15 C H6 1 16 U H5 5.000 4.000 6.000 3.991 3.991 3.991 0.009 1 0 "[ ]" 1
339 1 15 C H6 1 16 U H6 5.000 4.000 6.000 4.903 4.903 4.903 . 0 0 "[ ]" 1
340 1 16 U H1' 1 16 U H2' 2.500 . 3.000 2.863 2.863 2.863 . 0 0 "[ ]" 1
341 1 16 U H1' 1 16 U H3' 4.300 3.600 5.000 3.781 3.781 3.781 . 0 0 "[ ]" 1
342 1 16 U H1' 1 16 U H4' 3.300 2.600 4.000 2.735 2.735 2.735 . 0 0 "[ ]" 1
343 1 16 U H1' 1 16 U H5' 5.000 3.500 6.500 4.824 4.824 4.824 . 0 0 "[ ]" 1
344 1 16 U H1' 1 16 U H5'' 5.000 3.500 6.500 4.679 4.679 4.679 . 0 0 "[ ]" 1
345 1 16 U H2' 1 16 U H3' 2.500 . 3.000 2.440 2.440 2.440 . 0 0 "[ ]" 1
346 1 16 U H2' 1 16 U H5'' 5.000 3.500 6.500 3.991 3.991 3.991 . 0 0 "[ ]" 1
347 1 16 U H3' 1 16 U H4' 3.300 2.600 4.000 2.911 2.911 2.911 . 0 0 "[ ]" 1
348 1 16 U H3' 1 16 U H5' 3.300 2.600 4.000 2.737 2.737 2.737 . 0 0 "[ ]" 1
349 1 16 U H3' 1 16 U H5'' 3.300 2.600 4.000 2.582 2.582 2.582 0.018 1 0 "[ ]" 1
350 1 16 U H4' 1 16 U H5' 2.500 . 3.000 2.386 2.386 2.386 . 0 0 "[ ]" 1
351 1 16 U H4' 1 16 U H5'' 2.500 . 3.000 3.023 3.023 3.023 0.023 1 0 "[ ]" 1
352 1 16 U H4' 1 17 U H5' 3.300 2.600 4.000 3.286 3.286 3.286 . 0 0 "[ ]" 1
353 1 16 U H4' 1 17 U H5'' 4.300 3.300 4.800 4.746 4.746 4.746 . 0 0 "[ ]" 1
354 1 16 U H1' 1 16 U H6 4.300 3.600 5.000 3.519 3.519 3.519 0.081 1 0 "[ ]" 1
355 1 16 U H1' 1 17 U H5 3.300 2.600 4.000 4.005 4.005 4.005 0.005 1 0 "[ ]" 1
356 1 16 U H1' 1 17 U H6 3.300 2.600 4.000 3.922 3.922 3.922 . 0 0 "[ ]" 1
357 1 16 U H1' 1 18 A H2 3.300 2.300 4.300 2.671 2.671 2.671 . 0 0 "[ ]" 1
358 1 16 U H2' 1 16 U H5 4.300 3.600 5.000 5.071 5.071 5.071 0.071 1 0 "[ ]" 1
359 1 16 U H2' 1 16 U H6 2.500 . 3.000 3.236 3.236 3.236 0.236 1 0 "[ ]" 1
360 1 16 U H3' 1 16 U H6 3.300 2.300 4.300 4.447 4.447 4.447 0.147 1 0 "[ ]" 1
361 1 16 U H3' 1 18 A H2 5.000 4.000 6.000 4.963 4.963 4.963 . 0 0 "[ ]" 1
362 1 16 U H4' 1 18 A H2 2.500 . 3.500 2.255 2.255 2.255 . 0 0 "[ ]" 1
363 1 16 U H5' 1 16 U H6 5.000 4.000 6.000 5.184 5.184 5.184 . 0 0 "[ ]" 1
364 1 16 U H5'' 1 16 U H6 5.000 4.000 6.000 3.895 3.895 3.895 0.105 1 0 "[ ]" 1
365 1 16 U H5' 1 18 A H2 5.000 4.000 6.000 4.488 4.488 4.488 . 0 0 "[ ]" 1
366 1 16 U H5'' 1 18 A H2 5.000 4.000 6.000 4.996 4.996 4.996 . 0 0 "[ ]" 1
367 1 16 U H6 1 18 A H2 5.000 4.000 6.000 4.967 4.967 4.967 . 0 0 "[ ]" 1
368 1 17 U H1' 1 17 U H2' 2.500 . 3.000 3.012 3.012 3.012 0.012 1 0 "[ ]" 1
369 1 17 U H1' 1 17 U H3' 4.300 3.600 5.000 3.650 3.650 3.650 . 0 0 "[ ]" 1
370 1 17 U H1' 1 17 U H4' 3.300 2.600 4.000 3.242 3.242 3.242 . 0 0 "[ ]" 1
371 1 17 U H1' 1 17 U H5' 5.000 4.000 6.500 4.712 4.712 4.712 . 0 0 "[ ]" 1
372 1 17 U H1' 1 17 U H5'' 5.000 4.000 6.500 5.022 5.022 5.022 . 0 0 "[ ]" 1
373 1 17 U H2' 1 17 U H3' 2.500 . 3.000 2.567 2.567 2.567 . 0 0 "[ ]" 1
374 1 17 U H2' 1 17 U H4' 5.000 4.000 6.000 3.886 3.886 3.886 0.114 1 0 "[ ]" 1
375 1 17 U H2' 1 17 U H5' 5.000 4.000 6.000 3.974 3.974 3.974 0.026 1 0 "[ ]" 1
376 1 17 U H2' 1 17 U H5'' 5.000 4.000 6.000 3.907 3.907 3.907 0.093 1 0 "[ ]" 1
377 1 17 U H3' 1 17 U H4' 2.500 . 3.000 2.808 2.808 2.808 . 0 0 "[ ]" 1
378 1 17 U H3' 1 17 U H5' 3.300 2.600 4.000 3.811 3.811 3.811 . 0 0 "[ ]" 1
379 1 17 U H3' 1 17 U H5'' 3.300 2.600 4.000 2.742 2.742 2.742 . 0 0 "[ ]" 1
380 1 17 U H4' 1 17 U H5' 3.300 2.600 4.000 2.574 2.574 2.574 0.026 1 0 "[ ]" 1
381 1 17 U H4' 1 17 U H5'' 3.300 2.600 4.000 2.529 2.529 2.529 0.071 1 0 "[ ]" 1
382 1 17 U H4' 1 18 A H1' 5.000 4.000 6.000 4.078 4.078 4.078 . 0 0 "[ ]" 1
383 1 17 U H4' 1 18 A H4' 5.000 4.000 6.000 4.106 4.106 4.106 . 0 0 "[ ]" 1
384 1 17 U H5' 1 18 A H1' 5.000 4.000 6.500 3.973 3.973 3.973 0.027 1 0 "[ ]" 1
385 1 17 U H5'' 1 18 A H1' 5.000 4.000 6.500 4.482 4.482 4.482 . 0 0 "[ ]" 1
386 1 17 U H5'' 1 18 A H4' 5.000 4.000 6.000 3.966 3.966 3.966 0.034 1 0 "[ ]" 1
387 1 17 U H1' 1 17 U H6 3.300 2.600 4.000 3.756 3.756 3.756 . 0 0 "[ ]" 1
388 1 17 U H2' 1 17 U H5 4.300 3.600 5.000 4.454 4.454 4.454 . 0 0 "[ ]" 1
389 1 17 U H2' 1 17 U H6 2.500 . 3.000 2.346 2.346 2.346 . 0 0 "[ ]" 1
390 1 17 U H3' 1 17 U H6 4.300 3.300 5.300 4.595 4.595 4.595 . 0 0 "[ ]" 1
391 1 17 U H5' 1 17 U H6 5.000 4.000 6.000 3.928 3.928 3.928 0.072 1 0 "[ ]" 1
392 1 17 U H5'' 1 17 U H6 5.000 4.000 6.000 4.785 4.785 4.785 . 0 0 "[ ]" 1
393 1 17 U H5' 1 18 A H2 5.000 3.500 6.500 3.681 3.681 3.681 . 0 0 "[ ]" 1
394 1 17 U H5'' 1 18 A H2 5.000 3.500 6.500 5.412 5.412 5.412 . 0 0 "[ ]" 1
395 1 17 U H6 1 18 A H2 5.000 3.500 6.500 5.301 5.301 5.301 . 0 0 "[ ]" 1
396 1 18 A H1' 1 18 A H2' 2.500 . 3.000 2.841 2.841 2.841 . 0 0 "[ ]" 1
397 1 18 A H1' 1 18 A H3' 4.300 3.600 5.000 3.905 3.905 3.905 . 0 0 "[ ]" 1
398 1 18 A H1' 1 18 A H4' 3.300 2.600 4.000 3.277 3.277 3.277 . 0 0 "[ ]" 1
399 1 18 A H2' 1 18 A H3' 2.500 . 3.000 2.254 2.254 2.254 . 0 0 "[ ]" 1
400 1 18 A H2' 1 18 A H4' 5.000 4.000 6.000 3.947 3.947 3.947 0.053 1 0 "[ ]" 1
401 1 18 A H2' 1 18 A H5' 4.300 3.300 5.300 5.226 5.226 5.226 . 0 0 "[ ]" 1
402 1 18 A H2' 1 18 A H5'' 5.000 4.000 6.000 4.668 4.668 4.668 . 0 0 "[ ]" 1
403 1 18 A H3' 1 18 A H4' 3.300 2.600 4.000 3.005 3.005 3.005 . 0 0 "[ ]" 1
404 1 18 A H3' 1 18 A H5' 3.000 2.300 3.700 3.610 3.610 3.610 . 0 0 "[ ]" 1
405 1 18 A H3' 1 18 A H5'' 3.000 2.300 3.700 2.589 2.589 2.589 . 0 0 "[ ]" 1
406 1 18 A H4' 1 18 A H5' 2.500 . 3.200 2.400 2.400 2.400 . 0 0 "[ ]" 1
407 1 18 A H4' 1 18 A H5'' 2.500 . 3.200 2.554 2.554 2.554 . 0 0 "[ ]" 1
408 1 18 A H1' 1 18 A H8 4.300 3.600 5.000 3.819 3.819 3.819 . 0 0 "[ ]" 1
409 1 18 A H1' 1 19 A H8 5.000 4.000 6.000 5.386 5.386 5.386 . 0 0 "[ ]" 1
410 1 18 A H2' 1 18 A H8 2.500 . 3.200 2.104 2.104 2.104 . 0 0 "[ ]" 1
411 1 18 A H2' 1 19 A H8 4.300 3.800 5.300 3.852 3.852 3.852 . 0 0 "[ ]" 1
412 1 18 A H3' 1 18 A H8 3.300 2.600 4.000 2.731 2.731 2.731 . 0 0 "[ ]" 1
413 1 18 A H5'' 1 18 A H8 5.000 4.000 6.500 4.893 4.893 4.893 . 0 0 "[ ]" 1
414 1 19 A H1' 1 19 A H2' 3.300 2.300 4.300 2.857 2.857 2.857 . 0 0 "[ ]" 1
415 1 19 A H1' 1 19 A H3' 5.000 4.000 6.000 3.916 3.916 3.916 0.084 1 0 "[ ]" 1
416 1 19 A H1' 1 19 A H4' 3.300 2.300 4.300 3.043 3.043 3.043 . 0 0 "[ ]" 1
417 1 19 A H1' 1 19 A H5' 5.000 4.500 6.500 4.887 4.887 4.887 . 0 0 "[ ]" 1
418 1 19 A H1' 1 19 A H5'' 5.000 4.500 6.500 5.048 5.048 5.048 . 0 0 "[ ]" 1
419 1 19 A H2' 1 19 A H4' 3.300 2.800 4.100 3.902 3.902 3.902 . 0 0 "[ ]" 1
420 1 19 A H2' 1 19 A H5' 4.300 3.600 5.000 5.126 5.126 5.126 0.126 1 0 "[ ]" 1
421 1 19 A H3' 1 19 A H4' 2.500 . 3.000 3.024 3.024 3.024 0.024 1 0 "[ ]" 1
422 1 19 A H3' 1 19 A H5' 3.300 2.600 4.000 3.584 3.584 3.584 . 0 0 "[ ]" 1
423 1 19 A H3' 1 19 A H5'' 3.300 2.600 4.000 2.364 2.364 2.364 0.236 1 0 "[ ]" 1
424 1 19 A H4' 1 19 A H5' 2.500 . 3.200 2.175 2.175 2.175 . 0 0 "[ ]" 1
425 1 19 A H4' 1 19 A H5'' 2.500 . 3.200 2.821 2.821 2.821 . 0 0 "[ ]" 1
426 1 19 A H1' 1 20 A H1' 5.000 4.000 6.000 3.923 3.923 3.923 0.077 1 0 "[ ]" 1
427 1 19 A H4' 1 20 A H1' 5.000 4.000 6.000 5.183 5.183 5.183 . 0 0 "[ ]" 1
428 1 19 A H4' 1 20 A H4' 5.000 4.000 6.000 4.055 4.055 4.055 . 0 0 "[ ]" 1
429 1 19 A H4' 1 20 A H5' 5.000 4.000 6.000 5.070 5.070 5.070 . 0 0 "[ ]" 1
430 1 19 A H1' 1 19 A H8 4.300 3.600 5.000 3.777 3.777 3.777 . 0 0 "[ ]" 1
431 1 19 A H1' 1 20 A H8 2.500 . 3.000 2.720 2.720 2.720 . 0 0 "[ ]" 1
432 1 19 A H2' 1 19 A H8 2.500 . 3.000 2.097 2.097 2.097 . 0 0 "[ ]" 1
433 1 19 A H3' 1 19 A H8 3.300 2.600 4.000 3.760 3.760 3.760 . 0 0 "[ ]" 1
434 1 19 A H4' 1 20 A H8 5.000 4.000 6.000 5.544 5.544 5.544 . 0 0 "[ ]" 1
435 1 19 A H2 1 20 A H2 5.000 4.000 6.000 3.969 3.969 3.969 0.031 1 0 "[ ]" 1
436 1 20 A H1' 1 20 A H2' 2.500 . 3.000 2.943 2.943 2.943 . 0 0 "[ ]" 1
437 1 20 A H1' 1 20 A H3' 3.300 2.300 4.300 3.927 3.927 3.927 . 0 0 "[ ]" 1
438 1 20 A H1' 1 20 A H4' 3.300 2.600 4.000 3.003 3.003 3.003 . 0 0 "[ ]" 1
439 1 20 A H3' 1 20 A H4' 3.300 2.600 4.000 2.994 2.994 2.994 . 0 0 "[ ]" 1
440 1 20 A H4' 1 20 A H5' 3.300 2.600 4.000 2.521 2.521 2.521 0.079 1 0 "[ ]" 1
441 1 20 A H4' 1 20 A H5'' 3.300 2.600 4.000 3.078 3.078 3.078 . 0 0 "[ ]" 1
442 1 20 A H1' 1 20 A H8 4.300 3.300 5.300 3.749 3.749 3.749 . 0 0 "[ ]" 1
443 1 19 A H2 1 20 A H1' 4.300 3.300 5.300 4.306 4.306 4.306 . 0 0 "[ ]" 1
444 1 20 A H1' 1 21 A H8 5.000 4.000 6.000 4.908 4.908 4.908 . 0 0 "[ ]" 1
445 1 20 A H2' 1 21 A H8 2.500 . 3.000 2.096 2.096 2.096 . 0 0 "[ ]" 1
446 1 20 A H3' 1 20 A H8 5.000 4.000 6.000 4.073 4.073 4.073 . 0 0 "[ ]" 1
447 1 20 A H3' 1 21 A H8 3.300 2.600 4.000 3.504 3.504 3.504 . 0 0 "[ ]" 1
448 1 20 A H5' 1 20 A H8 4.300 3.600 5.000 5.034 5.034 5.034 0.034 1 0 "[ ]" 1
449 1 20 A H5'' 1 20 A H8 4.300 3.600 5.000 3.525 3.525 3.525 0.075 1 0 "[ ]" 1
450 1 21 A H1' 1 21 A H2' 2.500 . 3.200 2.785 2.785 2.785 . 0 0 "[ ]" 1
451 1 21 A H1' 1 21 A H3' 4.300 3.600 5.000 3.833 3.833 3.833 . 0 0 "[ ]" 1
452 1 21 A H1' 1 21 A H4' 3.300 2.600 4.000 3.190 3.190 3.190 . 0 0 "[ ]" 1
453 1 21 A H2' 1 21 A H3' 2.500 . 3.000 2.505 2.505 2.505 . 0 0 "[ ]" 1
454 1 21 A H2' 1 21 A H4' 5.000 4.000 6.000 3.838 3.838 3.838 0.162 1 0 "[ ]" 1
455 1 21 A H3' 1 21 A H4' 3.300 2.600 4.000 3.093 3.093 3.093 . 0 0 "[ ]" 1
456 1 21 A H3' 1 21 A H5' 4.300 3.600 5.000 3.698 3.698 3.698 . 0 0 "[ ]" 1
457 1 21 A H3' 1 21 A H5'' 4.300 3.600 5.000 3.468 3.468 3.468 0.132 1 0 "[ ]" 1
458 1 21 A H4' 1 21 A H5' 2.500 . 3.200 2.584 2.584 2.584 . 0 0 "[ ]" 1
459 1 21 A H4' 1 21 A H5'' 2.500 . 3.200 2.319 2.319 2.319 . 0 0 "[ ]" 1
460 1 21 A H2' 1 22 A H2' 5.000 4.000 6.000 4.668 4.668 4.668 . 0 0 "[ ]" 1
461 1 21 A H2' 1 22 A H3' 5.000 4.000 6.500 4.378 4.378 4.378 . 0 0 "[ ]" 1
462 1 21 A H2' 1 22 A H5' 5.000 4.000 6.000 4.161 4.161 4.161 . 0 0 "[ ]" 1
463 1 21 A H2' 1 22 A H5'' 5.000 4.000 6.000 4.421 4.421 4.421 . 0 0 "[ ]" 1
464 1 21 A H1' 1 21 A H8 5.000 4.000 6.000 3.913 3.913 3.913 0.087 1 0 "[ ]" 1
465 1 20 A H2 1 21 A H1' 5.000 4.000 6.000 5.242 5.242 5.242 . 0 0 "[ ]" 1
466 1 21 A H2' 1 21 A H8 4.300 3.300 5.300 3.818 3.818 3.818 . 0 0 "[ ]" 1
467 1 21 A H2' 1 22 A H8 3.300 2.600 4.000 3.664 3.664 3.664 . 0 0 "[ ]" 1
468 1 21 A H3' 1 21 A H8 3.300 2.600 4.000 2.856 2.856 2.856 . 0 0 "[ ]" 1
469 1 21 A H3' 1 22 A H8 5.000 4.000 6.000 5.330 5.330 5.330 . 0 0 "[ ]" 1
470 1 21 A H5' 1 21 A H8 5.000 4.000 6.000 4.098 4.098 4.098 . 0 0 "[ ]" 1
471 1 21 A H5'' 1 21 A H8 5.000 4.000 6.000 4.996 4.996 4.996 . 0 0 "[ ]" 1
472 1 22 A H1' 1 22 A H2' 3.300 2.600 4.000 2.924 2.924 2.924 . 0 0 "[ ]" 1
473 1 22 A H1' 1 22 A H3' 4.300 3.600 5.000 3.928 3.928 3.928 . 0 0 "[ ]" 1
474 1 22 A H1' 1 22 A H4' 3.300 2.300 4.000 2.789 2.789 2.789 . 0 0 "[ ]" 1
475 1 22 A H2' 1 22 A H3' 2.500 . 3.000 2.266 2.266 2.266 . 0 0 "[ ]" 1
476 1 22 A H2' 1 22 A H4' 4.300 3.600 5.000 3.786 3.786 3.786 . 0 0 "[ ]" 1
477 1 22 A H3' 1 22 A H4' 3.300 2.600 4.000 2.932 2.932 2.932 . 0 0 "[ ]" 1
478 1 22 A H3' 1 22 A H5' 3.300 2.600 4.000 3.736 3.736 3.736 . 0 0 "[ ]" 1
479 1 22 A H3' 1 22 A H5'' 3.300 2.600 4.000 2.513 2.513 2.513 0.087 1 0 "[ ]" 1
480 1 22 A H4' 1 22 A H5' 2.500 . 3.200 2.418 2.418 2.418 . 0 0 "[ ]" 1
481 1 22 A H4' 1 22 A H5'' 2.500 . 3.200 2.594 2.594 2.594 . 0 0 "[ ]" 1
482 1 22 A H3' 1 23 C H5' 3.300 2.300 4.300 3.432 3.432 3.432 . 0 0 "[ ]" 1
483 1 22 A H3' 1 23 C H5'' 3.300 2.300 4.300 2.792 2.792 2.792 . 0 0 "[ ]" 1
484 1 22 A H3' 1 23 C H4' 4.300 3.600 5.000 5.036 5.036 5.036 0.036 1 0 "[ ]" 1
485 1 22 A H1' 1 22 A H8 4.300 3.600 5.000 3.853 3.853 3.853 . 0 0 "[ ]" 1
486 1 22 A H1' 1 24 A H1' 3.500 2.700 4.300 3.055 3.055 3.055 . 0 0 "[ ]" 1
487 1 22 A H1' 1 24 A H8 3.800 2.800 4.800 4.074 4.074 4.074 . 0 0 "[ ]" 1
488 1 22 A H2' 1 22 A H8 2.500 . 3.000 2.085 2.085 2.085 . 0 0 "[ ]" 1
489 1 22 A H3' 1 22 A H8 3.300 2.600 4.000 3.617 3.617 3.617 . 0 0 "[ ]" 1
490 1 23 C H1' 1 23 C H2' 2.500 . 3.000 2.780 2.780 2.780 . 0 0 "[ ]" 1
491 1 23 C H1' 1 23 C H3' 3.300 2.600 4.000 3.839 3.839 3.839 . 0 0 "[ ]" 1
492 1 23 C H1' 1 23 C H4' 3.300 2.600 4.000 3.012 3.012 3.012 . 0 0 "[ ]" 1
493 1 23 C H2' 1 23 C H3' 2.500 . 3.000 2.344 2.344 2.344 . 0 0 "[ ]" 1
494 1 23 C H2' 1 23 C H5' 4.300 3.600 5.000 5.138 5.138 5.138 0.138 1 0 "[ ]" 1
495 1 23 C H3' 1 23 C H5' 3.300 2.600 4.000 3.539 3.539 3.539 . 0 0 "[ ]" 1
496 1 23 C H3' 1 23 C H5'' 3.300 2.600 4.000 3.183 3.183 3.183 . 0 0 "[ ]" 1
497 1 23 C H4' 1 23 C H5' 2.500 . 3.000 2.509 2.509 2.509 . 0 0 "[ ]" 1
498 1 23 C H1' 1 23 C H6 3.300 2.600 4.000 3.669 3.669 3.669 . 0 0 "[ ]" 1
499 1 23 C H2' 1 23 C H6 2.500 . 3.200 3.256 3.256 3.256 0.056 1 0 "[ ]" 1
500 1 23 C H3' 1 23 C H6 3.300 2.600 4.000 2.558 2.558 2.558 0.042 1 0 "[ ]" 1
501 1 23 C H4' 1 23 C H6 5.000 4.000 6.000 4.214 4.214 4.214 . 0 0 "[ ]" 1
502 1 23 C H5' 1 23 C H6 4.300 3.600 5.000 3.823 3.823 3.823 . 0 0 "[ ]" 1
503 1 23 C H5'' 1 23 C H6 4.300 3.600 5.000 4.571 4.571 4.571 . 0 0 "[ ]" 1
504 1 24 A H1' 1 24 A H2' 2.500 . 3.000 2.737 2.737 2.737 . 0 0 "[ ]" 1
505 1 24 A H1' 1 24 A H3' 3.300 2.600 4.300 3.960 3.960 3.960 . 0 0 "[ ]" 1
506 1 24 A H1' 1 24 A H4' 3.300 2.600 4.000 3.646 3.646 3.646 . 0 0 "[ ]" 1
507 1 24 A H2' 1 24 A H3' 3.000 2.300 3.700 2.285 2.285 2.285 0.015 1 0 "[ ]" 1
508 1 24 A H3' 1 24 A H4' 3.000 2.300 3.700 2.942 2.942 2.942 . 0 0 "[ ]" 1
509 1 24 A H4' 1 24 A H5' 2.500 . 3.000 2.787 2.787 2.787 . 0 0 "[ ]" 1
510 1 24 A H4' 1 24 A H5'' 2.500 . 3.000 2.951 2.951 2.951 . 0 0 "[ ]" 1
511 1 24 A H1' 1 24 A H8 4.300 3.300 5.000 3.651 3.651 3.651 . 0 0 "[ ]" 1
512 1 24 A H1' 1 25 C H6 4.300 3.300 5.300 5.130 5.130 5.130 . 0 0 "[ ]" 1
513 1 22 A H2 1 24 A H1' 3.000 2.300 3.700 3.701 3.701 3.701 0.001 1 0 "[ ]" 1
514 1 24 A H2' 1 24 A H8 5.000 4.000 6.000 4.117 4.117 4.117 . 0 0 "[ ]" 1
515 1 24 A H2' 1 25 C H5 5.000 4.000 6.000 4.046 4.046 4.046 . 0 0 "[ ]" 1
516 1 24 A H2' 1 25 C H6 3.300 2.600 4.000 2.500 2.500 2.500 0.100 1 0 "[ ]" 1
517 1 24 A H3' 1 24 A H8 4.300 3.600 5.000 3.899 3.899 3.899 . 0 0 "[ ]" 1
518 1 24 A H3' 1 25 C H6 4.300 3.600 5.000 3.584 3.584 3.584 0.016 1 0 "[ ]" 1
519 1 24 A H4' 1 24 A H8 5.000 4.000 6.000 4.476 4.476 4.476 . 0 0 "[ ]" 1
520 1 24 A H5' 1 24 A H8 3.300 2.600 4.000 3.937 3.937 3.937 . 0 0 "[ ]" 1
521 1 24 A H5'' 1 24 A H8 3.300 2.600 4.000 2.463 2.463 2.463 0.137 1 0 "[ ]" 1
522 1 24 A H2 1 25 C H5 5.000 4.000 6.000 4.003 4.003 4.003 . 0 0 "[ ]" 1
523 1 25 C H1' 1 25 C H2' 2.500 . 3.000 2.876 2.876 2.876 . 0 0 "[ ]" 1
524 1 25 C H1' 1 25 C H3' 4.300 3.300 5.300 3.815 3.815 3.815 . 0 0 "[ ]" 1
525 1 25 C H1' 1 25 C H4' 3.300 2.300 4.300 2.790 2.790 2.790 . 0 0 "[ ]" 1
526 1 25 C H2' 1 25 C H3' 2.500 . 3.000 2.376 2.376 2.376 . 0 0 "[ ]" 1
527 1 25 C H2' 1 25 C H4' 4.300 3.300 5.300 3.657 3.657 3.657 . 0 0 "[ ]" 1
528 1 25 C H2' 1 25 C H5' 5.000 4.000 6.000 5.354 5.354 5.354 . 0 0 "[ ]" 1
529 1 25 C H2' 1 25 C H5'' 4.300 3.300 5.300 5.236 5.236 5.236 . 0 0 "[ ]" 1
530 1 25 C H3' 1 25 C H5' 4.300 3.600 5.000 3.776 3.776 3.776 . 0 0 "[ ]" 1
531 1 25 C H3' 1 25 C H5'' 4.300 3.600 5.000 3.385 3.385 3.385 0.215 1 0 "[ ]" 1
532 1 25 C H4' 1 25 C H5' 2.500 . 3.200 2.532 2.532 2.532 . 0 0 "[ ]" 1
533 1 25 C H4' 1 25 C H5'' 2.500 . 3.200 2.467 2.467 2.467 . 0 0 "[ ]" 1
534 1 25 C H2' 1 26 C H1' 5.000 4.000 6.000 5.068 5.068 5.068 . 0 0 "[ ]" 1
535 1 25 C H1' 1 25 C H6 4.300 3.600 5.000 3.752 3.752 3.752 . 0 0 "[ ]" 1
536 1 25 C H2' 1 25 C H6 5.000 4.000 6.000 3.818 3.818 3.818 0.182 1 0 "[ ]" 1
537 1 25 C H2' 1 26 C H5 4.300 3.600 5.000 3.598 3.598 3.598 0.002 1 0 "[ ]" 1
538 1 25 C H2' 1 26 C H6 2.500 . 3.200 2.209 2.209 2.209 . 0 0 "[ ]" 1
539 1 25 C H3' 1 25 C H6 3.300 2.300 4.800 3.351 3.351 3.351 . 0 0 "[ ]" 1
540 1 25 C H3' 1 26 C H5 5.000 4.000 6.000 3.793 3.793 3.793 0.207 1 0 "[ ]" 1
541 1 25 C H3' 1 26 C H6 3.300 2.600 4.000 3.491 3.491 3.491 . 0 0 "[ ]" 1
542 1 25 C H4' 1 26 C H6 4.300 3.300 5.300 5.514 5.514 5.514 0.214 1 0 "[ ]" 1
543 1 25 C H5 1 26 C H5 5.000 3.500 6.500 4.864 4.864 4.864 . 0 0 "[ ]" 1
544 1 25 C H6 1 26 C H5 5.000 3.500 6.500 4.703 4.703 4.703 . 0 0 "[ ]" 1
545 1 26 C H1' 1 26 C H2' 2.500 . 3.000 2.786 2.786 2.786 . 0 0 "[ ]" 1
546 1 26 C H1' 1 26 C H3' 4.300 3.300 5.300 3.941 3.941 3.941 . 0 0 "[ ]" 1
547 1 26 C H1' 1 26 C H4' 3.300 2.600 4.000 3.571 3.571 3.571 . 0 0 "[ ]" 1
548 1 26 C H2' 1 26 C H3' 3.000 2.300 3.700 2.304 2.304 2.304 . 0 0 "[ ]" 1
549 1 26 C H1' 1 26 C H6 5.000 4.000 6.000 3.803 3.803 3.803 0.197 1 0 "[ ]" 1
550 1 26 C H2' 1 26 C H6 4.300 3.300 5.300 3.986 3.986 3.986 . 0 0 "[ ]" 1
551 1 26 C H2' 1 27 G H8 2.500 . 3.200 2.568 2.568 2.568 . 0 0 "[ ]" 1
552 1 26 C H3' 1 26 C H5 5.000 3.500 6.500 4.883 4.883 4.883 . 0 0 "[ ]" 1
553 1 26 C H3' 1 26 C H6 3.000 2.200 3.800 3.320 3.320 3.320 . 0 0 "[ ]" 1
554 1 26 C H3' 1 27 G H8 3.500 2.500 4.500 2.464 2.464 2.464 0.036 1 0 "[ ]" 1
555 1 27 G H1' 1 27 G H2' 2.500 . 3.000 2.788 2.788 2.788 . 0 0 "[ ]" 1
556 1 27 G H1' 1 27 G H4' 3.300 2.600 4.000 3.053 3.053 3.053 . 0 0 "[ ]" 1
557 1 27 G H2' 1 27 G H4' 4.300 3.600 5.000 3.721 3.721 3.721 . 0 0 "[ ]" 1
558 1 27 G H3' 1 27 G H4' 2.500 . 3.000 3.039 3.039 3.039 0.039 1 0 "[ ]" 1
559 1 27 G H3' 1 27 G H5' 4.000 3.300 4.700 3.791 3.791 3.791 . 0 0 "[ ]" 1
560 1 27 G H3' 1 27 G H5'' 4.000 3.300 4.700 3.146 3.146 3.146 0.154 1 0 "[ ]" 1
561 1 27 G H2' 1 27 G H3' 3.500 . 5.000 2.377 2.377 2.377 . 0 0 "[ ]" 1
562 1 27 G H1' 1 27 G H8 5.000 4.000 6.000 3.777 3.777 3.777 0.223 1 0 "[ ]" 1
563 1 27 G H2' 1 28 G H8 3.000 . 4.000 2.079 2.079 2.079 . 0 0 "[ ]" 1
564 1 27 G H5' 1 27 G H8 5.000 4.000 6.000 4.267 4.267 4.267 . 0 0 "[ ]" 1
565 1 27 G H5'' 1 27 G H8 5.500 4.000 7.000 4.984 4.984 4.984 . 0 0 "[ ]" 1
566 1 28 G H1' 1 28 G H2' 2.500 . 3.300 2.874 2.874 2.874 . 0 0 "[ ]" 1
567 1 28 G H1' 1 28 G H3' 4.300 3.600 5.000 3.845 3.845 3.845 . 0 0 "[ ]" 1
568 1 28 G H1' 1 28 G H4' 3.300 2.600 4.000 2.768 2.768 2.768 . 0 0 "[ ]" 1
569 1 28 G H2' 1 28 G H3' 3.000 . 4.000 2.343 2.343 2.343 . 0 0 "[ ]" 1
570 1 28 G H2' 1 28 G H4' 4.000 3.000 5.000 3.837 3.837 3.837 . 0 0 "[ ]" 1
571 1 28 G H3' 1 28 G H4' 2.700 . 3.400 3.027 3.027 3.027 . 0 0 "[ ]" 1
572 1 28 G H4' 1 28 G H5' 2.700 . 3.400 2.318 2.318 2.318 . 0 0 "[ ]" 1
573 1 28 G H4' 1 28 G H5'' 2.700 . 3.400 2.543 2.543 2.543 . 0 0 "[ ]" 1
574 1 28 G H1' 1 28 G H8 5.000 4.000 6.000 3.802 3.802 3.802 0.198 1 0 "[ ]" 1
575 1 28 G H3' 1 28 G H8 4.300 3.300 5.300 4.410 4.410 4.410 . 0 0 "[ ]" 1
576 1 28 G H5' 1 28 G H8 5.000 4.000 6.000 4.648 4.648 4.648 . 0 0 "[ ]" 1
577 1 28 G H5'' 1 28 G H8 5.000 4.000 6.000 5.437 5.437 5.437 . 0 0 "[ ]" 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 92
_Distance_constraint_stats_list.Viol_count 8
_Distance_constraint_stats_list.Viol_total 0.574
_Distance_constraint_stats_list.Viol_max 0.204
_Distance_constraint_stats_list.Viol_rms 0.0270
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0062
_Distance_constraint_stats_list.Viol_average_violations_only 0.0718
_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 A 0.000 0.000 . 0 "[ ]"
1 2 G 0.000 0.000 . 0 "[ ]"
1 3 U 0.000 0.000 . 0 "[ ]"
1 4 G 0.022 0.022 1 0 "[ ]"
1 5 G 0.044 0.044 1 0 "[ ]"
1 6 CH 0.000 0.000 . 0 "[ ]"
1 8 C 0.000 0.000 . 0 "[ ]"
1 9 C 0.000 0.000 . 0 "[ ]"
1 10 G 0.023 0.023 1 0 "[ ]"
1 12 C 0.210 0.114 1 0 "[ ]"
1 13 C 0.096 0.096 1 0 "[ ]"
1 14 A 0.000 0.000 . 0 "[ ]"
1 15 C 0.028 0.028 1 0 "[ ]"
1 16 U 0.000 0.000 . 0 "[ ]"
1 18 A 0.000 0.000 . 0 "[ ]"
1 19 A 0.028 0.028 1 0 "[ ]"
1 20 A 0.226 0.204 1 0 "[ ]"
1 21 A 0.000 0.000 . 0 "[ ]"
1 22 A 0.000 0.000 . 0 "[ ]"
1 24 A 0.000 0.000 . 0 "[ ]"
1 25 C 0.224 0.114 1 0 "[ ]"
1 26 C 0.043 0.043 1 0 "[ ]"
1 27 G 0.000 0.000 . 0 "[ ]"
1 28 G 0.000 0.000 . 0 "[ ]"
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 4 G N2 1 5 G H1' 4.000 3.300 4.700 3.598 3.598 3.598 . 0 0 "[ ]" 2
2 1 4 G N2 1 14 A H1' 4.000 3.300 4.700 3.759 3.759 3.759 . 0 0 "[ ]" 2
3 1 5 G N2 1 13 C H1' 5.000 4.000 6.000 4.798 4.798 4.798 . 0 0 "[ ]" 2
4 1 6 CH H41 1 12 C N4 5.000 3.500 6.500 4.320 4.320 4.320 . 0 0 "[ ]" 2
5 1 6 CH H42 1 12 C N4 5.000 3.500 6.500 3.950 3.950 3.950 . 0 0 "[ ]" 2
6 1 12 C N4 1 13 C H42 5.000 3.500 6.500 3.404 3.404 3.404 0.096 1 0 "[ ]" 2
7 1 12 C N4 1 13 C H41 5.000 3.500 6.500 4.169 4.169 4.169 . 0 0 "[ ]" 2
8 1 14 A H2 1 19 A N6 5.000 4.000 6.000 4.440 4.440 4.440 . 0 0 "[ ]" 2
9 1 15 C H1' 1 19 A N6 3.700 2.900 4.500 4.528 4.528 4.528 0.028 1 0 "[ ]" 2
10 1 18 A H2 1 19 A N6 3.200 2.400 4.000 3.420 3.420 3.420 . 0 0 "[ ]" 2
11 1 4 G H22 1 20 A N6 4.300 2.800 5.800 5.033 5.033 5.033 . 0 0 "[ ]" 2
12 1 4 G H21 1 20 A N6 4.300 2.800 5.800 5.822 5.822 5.822 0.022 1 0 "[ ]" 2
13 1 14 A H1' 1 20 A N6 3.700 2.700 4.700 4.415 4.415 4.415 . 0 0 "[ ]" 2
14 1 14 A H2 1 20 A N6 3.500 . 5.000 2.389 2.389 2.389 . 0 0 "[ ]" 2
15 1 20 A H2 1 20 A N6 3.000 . 4.000 4.204 4.204 4.204 0.204 1 0 "[ ]" 2
16 1 4 G H22 1 22 A N6 4.300 2.800 5.800 2.901 2.901 2.901 . 0 0 "[ ]" 2
17 1 4 G H21 1 22 A N6 4.300 2.800 5.800 2.874 2.874 2.874 . 0 0 "[ ]" 2
18 1 5 G H1' 1 22 A N6 5.000 3.500 7.000 5.778 5.778 5.778 . 0 0 "[ ]" 2
19 1 13 C H1' 1 22 A N6 4.300 2.800 5.800 3.723 3.723 3.723 . 0 0 "[ ]" 2
20 1 14 A H1' 1 22 A N6 4.300 2.800 5.800 3.430 3.430 3.430 . 0 0 "[ ]" 2
21 1 21 A H2 1 22 A N6 3.300 2.300 4.300 3.191 3.191 3.191 . 0 0 "[ ]" 2
22 1 5 G H1' 1 24 A N6 3.500 2.500 4.500 3.917 3.917 3.917 . 0 0 "[ ]" 2
23 1 5 G H22 1 25 C N4 4.000 3.000 5.000 3.046 3.046 3.046 . 0 0 "[ ]" 2
24 1 5 G H21 1 25 C N4 4.000 3.000 5.000 2.956 2.956 2.956 0.044 1 0 "[ ]" 2
25 1 12 C H1' 1 25 C N4 5.000 4.000 6.000 4.332 4.332 4.332 . 0 0 "[ ]" 2
26 1 24 A H2 1 25 C N4 4.000 3.000 5.000 3.665 3.665 3.665 . 0 0 "[ ]" 2
27 1 25 C N4 1 26 C H5 5.000 4.000 6.000 6.043 6.043 6.043 0.043 1 0 "[ ]" 2
28 1 12 C HO2' 1 25 C N4 3.800 3.000 4.600 2.886 2.886 2.886 0.114 1 0 "[ ]" 2
29 1 10 G H1 1 25 C N4 5.000 4.000 6.000 6.023 6.023 6.023 0.023 1 0 "[ ]" 2
30 1 1 A N1 1 16 U H3 1.850 . 2.150 1.814 1.814 1.814 . 0 0 "[ ]" 2
31 1 1 A N1 1 16 U N3 2.820 2.620 3.020 2.812 2.812 2.812 . 0 0 "[ ]" 2
32 1 1 A H61 1 16 U O4 1.850 . 2.150 1.867 1.867 1.867 . 0 0 "[ ]" 2
33 1 1 A N6 1 16 U O4 2.950 2.750 3.150 2.903 2.903 2.903 . 0 0 "[ ]" 2
34 1 1 A N1 1 16 U O4 3.630 3.430 3.830 3.621 3.621 3.621 . 0 0 "[ ]" 2
35 1 1 A N6 1 16 U O2 5.400 5.200 5.600 5.388 5.388 5.388 . 0 0 "[ ]" 2
36 1 2 G O6 1 15 C H41 1.850 . 2.150 1.870 1.870 1.870 . 0 0 "[ ]" 2
37 1 2 G O6 1 15 C N4 2.910 2.710 3.110 2.891 2.891 2.891 . 0 0 "[ ]" 2
38 1 2 G H1 1 15 C N3 1.850 . 2.150 1.876 1.876 1.876 . 0 0 "[ ]" 2
39 1 2 G N1 1 15 C N3 2.950 2.750 3.150 2.925 2.925 2.925 . 0 0 "[ ]" 2
40 1 2 G H21 1 15 C O2 1.850 . 2.150 1.834 1.834 1.834 . 0 0 "[ ]" 2
41 1 2 G N2 1 15 C O2 2.860 2.660 3.060 2.837 2.837 2.837 . 0 0 "[ ]" 2
42 1 2 G N2 1 15 C N3 3.650 3.450 3.850 3.637 3.637 3.637 . 0 0 "[ ]" 2
43 1 2 G O6 1 15 C O2 5.420 5.220 5.620 5.416 5.416 5.416 . 0 0 "[ ]" 2
44 1 3 U H3 1 14 A N1 1.850 . 2.150 1.821 1.821 1.821 . 0 0 "[ ]" 2
45 1 3 U N3 1 14 A N1 2.820 2.620 3.020 2.825 2.825 2.825 . 0 0 "[ ]" 2
46 1 3 U O4 1 14 A H61 1.850 . 2.150 1.884 1.884 1.884 . 0 0 "[ ]" 2
47 1 3 U O4 1 14 A N6 2.950 2.750 3.150 2.917 2.917 2.917 . 0 0 "[ ]" 2
48 1 3 U O4 1 14 A N1 3.630 3.430 3.830 3.584 3.584 3.584 . 0 0 "[ ]" 2
49 1 3 U O2 1 14 A N6 5.400 5.200 5.600 5.445 5.445 5.445 . 0 0 "[ ]" 2
50 1 4 G O6 1 13 C H41 1.850 . 2.150 1.871 1.871 1.871 . 0 0 "[ ]" 2
51 1 4 G O6 1 13 C N4 2.910 2.710 3.110 2.892 2.892 2.892 . 0 0 "[ ]" 2
52 1 4 G H1 1 13 C N3 1.850 . 2.150 1.891 1.891 1.891 . 0 0 "[ ]" 2
53 1 4 G N1 1 13 C N3 2.950 2.750 3.150 2.933 2.933 2.933 . 0 0 "[ ]" 2
54 1 4 G H21 1 13 C O2 1.850 . 2.150 1.851 1.851 1.851 . 0 0 "[ ]" 2
55 1 4 G N2 1 13 C O2 2.860 2.660 3.060 2.863 2.863 2.863 . 0 0 "[ ]" 2
56 1 4 G N2 1 13 C N3 3.650 3.450 3.850 3.647 3.647 3.647 . 0 0 "[ ]" 2
57 1 4 G O6 1 13 C O2 5.420 5.220 5.620 5.413 5.413 5.413 . 0 0 "[ ]" 2
58 1 5 G O6 1 12 C H41 1.850 . 2.150 1.879 1.879 1.879 . 0 0 "[ ]" 2
59 1 5 G O6 1 12 C N4 2.910 2.710 3.110 2.894 2.894 2.894 . 0 0 "[ ]" 2
60 1 5 G H1 1 12 C N3 1.850 . 2.150 1.868 1.868 1.868 . 0 0 "[ ]" 2
61 1 5 G N1 1 12 C N3 2.950 2.750 3.150 2.924 2.924 2.924 . 0 0 "[ ]" 2
62 1 5 G H21 1 12 C O2 1.850 . 2.150 1.839 1.839 1.839 . 0 0 "[ ]" 2
63 1 5 G N2 1 12 C O2 2.860 2.660 3.060 2.844 2.844 2.844 . 0 0 "[ ]" 2
64 1 5 G N2 1 12 C N3 3.650 3.450 3.850 3.666 3.666 3.666 . 0 0 "[ ]" 2
65 1 5 G O6 1 12 C O2 5.420 5.220 5.620 5.367 5.367 5.367 . 0 0 "[ ]" 2
66 1 8 C H41 1 28 G O6 1.850 . 2.150 1.884 1.884 1.884 . 0 0 "[ ]" 2
67 1 8 C N4 1 28 G O6 2.910 2.710 3.110 2.905 2.905 2.905 . 0 0 "[ ]" 2
68 1 8 C N3 1 28 G H1 1.850 . 2.150 1.909 1.909 1.909 . 0 0 "[ ]" 2
69 1 8 C N3 1 28 G N1 2.950 2.750 3.150 2.943 2.943 2.943 . 0 0 "[ ]" 2
70 1 8 C O2 1 28 G H21 1.850 . 2.150 1.870 1.870 1.870 . 0 0 "[ ]" 2
71 1 8 C O2 1 28 G N2 2.860 2.660 3.060 2.876 2.876 2.876 . 0 0 "[ ]" 2
72 1 8 C N3 1 28 G N2 3.650 3.450 3.850 3.628 3.628 3.628 . 0 0 "[ ]" 2
73 1 8 C O2 1 28 G O6 5.420 5.220 5.620 5.459 5.459 5.459 . 0 0 "[ ]" 2
74 1 9 C H41 1 27 G O6 1.850 . 2.150 1.877 1.877 1.877 . 0 0 "[ ]" 2
75 1 9 C N4 1 27 G O6 2.910 2.710 3.110 2.883 2.883 2.883 . 0 0 "[ ]" 2
76 1 9 C N3 1 27 G H1 1.850 . 2.150 1.895 1.895 1.895 . 0 0 "[ ]" 2
77 1 9 C N3 1 27 G N1 2.950 2.750 3.150 2.954 2.954 2.954 . 0 0 "[ ]" 2
78 1 9 C O2 1 27 G H21 1.850 . 2.150 1.869 1.869 1.869 . 0 0 "[ ]" 2
79 1 9 C O2 1 27 G N2 2.860 2.660 3.060 2.876 2.876 2.876 . 0 0 "[ ]" 2
80 1 9 C N3 1 27 G N2 3.650 3.450 3.850 3.647 3.647 3.647 . 0 0 "[ ]" 2
81 1 9 C O2 1 27 G O6 5.420 5.220 5.620 5.437 5.437 5.437 . 0 0 "[ ]" 2
82 1 10 G O6 1 26 C H41 1.850 . 2.150 1.886 1.886 1.886 . 0 0 "[ ]" 2
83 1 10 G O6 1 26 C N4 2.910 2.710 3.110 2.871 2.871 2.871 . 0 0 "[ ]" 2
84 1 10 G H1 1 26 C N3 1.850 . 2.150 1.924 1.924 1.924 . 0 0 "[ ]" 2
85 1 10 G N1 1 26 C N3 2.950 2.750 3.150 2.929 2.929 2.929 . 0 0 "[ ]" 2
86 1 10 G H21 1 26 C O2 1.850 . 2.150 1.871 1.871 1.871 . 0 0 "[ ]" 2
87 1 10 G N2 1 26 C O2 2.860 2.660 3.060 2.884 2.884 2.884 . 0 0 "[ ]" 2
88 1 10 G N2 1 26 C N3 3.650 3.450 3.850 3.642 3.642 3.642 . 0 0 "[ ]" 2
89 1 10 G O6 1 26 C O2 5.420 5.220 5.620 5.405 5.405 5.405 . 0 0 "[ ]" 2
90 1 6 CH N3 1 10 G O6 2.900 2.800 3.000 2.852 2.852 2.852 . 0 0 "[ ]" 2
91 1 6 CH N4 1 10 G N7 2.900 2.800 3.000 2.876 2.876 2.876 . 0 0 "[ ]" 2
92 1 6 CH H42 1 10 G N7 2.000 . 2.300 2.165 2.165 2.165 . 0 0 "[ ]" 2
stop_
save_
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