NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
397536 |
1szy   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1szy
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 910
_Distance_constraint_stats_list.Viol_count 181
_Distance_constraint_stats_list.Viol_total 24.186
_Distance_constraint_stats_list.Viol_max 6.998
_Distance_constraint_stats_list.Viol_rms 0.2722
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0266
_Distance_constraint_stats_list.Viol_average_violations_only 0.1336
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 G 0.169 0.039 1 0 "[ ]"
1 2 G 0.360 0.044 1 0 "[ ]"
1 3 C 0.322 0.036 1 0 "[ ]"
1 4 A 0.194 0.031 1 0 "[ ]"
1 5 G 0.211 0.030 1 0 "[ ]"
1 6 G 0.222 0.037 1 0 "[ ]"
1 7 G 2.639 2.343 1 1 [+]
1 8 C 11.678 6.998 1 1 [+]
1 9 U 1.820 1.820 1 1 [+]
1 10 C 4.676 1.820 1 1 [+]
1 11 A 11.097 6.998 1 1 [+]
1 12 U 0.252 0.084 1 0 "[ ]"
1 13 A 2.174 0.792 1 1 [+]
1 14 A 2.220 1.318 1 1 [+]
1 15 C 2.432 1.318 1 1 [+]
1 16 C 0.446 0.053 1 0 "[ ]"
1 17 C 0.368 0.038 1 0 "[ ]"
1 18 U 0.197 0.039 1 0 "[ ]"
1 19 G 0.184 0.036 1 0 "[ ]"
1 20 C 0.347 0.048 1 0 "[ ]"
1 21 C 0.256 0.048 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 7 G H8 1 8 C H6 4.000 3.000 5.000 5.010 5.010 5.010 0.010 1 0 "[ ]" 1
2 1 7 G H8 1 8 C H5 3.000 . 4.000 3.513 3.513 3.513 . 0 0 "[ ]" 1
3 1 7 G H1' 1 8 C H6 4.000 3.000 5.000 4.688 4.688 4.688 . 0 0 "[ ]" 1
4 1 7 G H2' 1 8 C H6 2.400 . 3.000 1.878 1.878 1.878 . 0 0 "[ ]" 1
5 1 7 G H2' 1 8 C H1' 4.000 3.000 5.000 4.526 4.526 4.526 . 0 0 "[ ]" 1
6 1 7 G H2' 1 8 C H5 2.400 . 3.000 3.041 3.041 3.041 0.041 1 0 "[ ]" 1
7 1 7 G H3' 1 8 C H6 3.000 . 4.000 2.870 2.870 2.870 . 0 0 "[ ]" 1
8 1 7 G H3' 1 8 C H5 2.400 . 3.000 2.379 2.379 2.379 . 0 0 "[ ]" 1
9 1 8 C H1' 1 8 C H6 3.000 . 4.000 3.533 3.533 3.533 . 0 0 "[ ]" 1
10 1 8 C H5 1 8 C H6 2.400 . 3.000 2.433 2.433 2.433 . 0 0 "[ ]" 1
11 1 8 C H2' 1 8 C H6 3.000 . 4.000 3.941 3.941 3.941 . 0 0 "[ ]" 1
12 1 8 C H3' 1 8 C H6 3.000 . 3.000 2.925 2.925 2.925 . 0 0 "[ ]" 1
13 1 8 C H4' 1 8 C H6 3.000 . 3.000 3.792 3.792 3.792 0.792 1 1 [+] 1
14 1 8 C H5' 1 8 C H6 4.000 . 6.800 2.694 2.694 2.694 . 0 0 "[ ]" 1
15 1 8 C H1' 1 8 C H2' 2.400 . 3.000 2.774 2.774 2.774 . 0 0 "[ ]" 1
16 1 8 C H1' 1 8 C H3' 4.000 3.000 5.000 3.904 3.904 3.904 . 0 0 "[ ]" 1
17 1 8 C H1' 1 8 C H4' 4.000 3.000 5.000 3.605 3.605 3.605 . 0 0 "[ ]" 1
18 1 8 C H1' 1 8 C H5' 4.000 . 6.800 4.552 4.552 4.552 . 0 0 "[ ]" 1
19 1 8 C H1' 1 9 U H6 4.000 3.000 5.000 4.946 4.946 4.946 . 0 0 "[ ]" 1
20 1 8 C H3' 1 8 C H5 4.000 3.000 5.000 4.672 4.672 4.672 . 0 0 "[ ]" 1
21 1 8 C H5 1 9 U H5 4.000 3.000 5.000 3.705 3.705 3.705 . 0 0 "[ ]" 1
22 1 8 C H2' 1 9 U H6 2.400 . 3.000 2.331 2.331 2.331 . 0 0 "[ ]" 1
23 1 8 C H2' 1 9 U H1' 4.000 3.000 5.000 4.108 4.108 4.108 . 0 0 "[ ]" 1
24 1 8 C H2' 1 9 U H5 4.000 3.000 5.000 3.863 3.863 3.863 . 0 0 "[ ]" 1
25 1 8 C H3' 1 9 U H6 3.000 . 4.000 2.523 2.523 2.523 . 0 0 "[ ]" 1
26 1 8 C H3' 1 9 U H5 4.000 3.000 5.000 3.011 3.011 3.011 . 0 0 "[ ]" 1
27 1 8 C H5' 1 9 U H6 4.000 . 6.800 6.102 6.102 6.102 . 0 0 "[ ]" 1
28 1 9 U H1' 1 9 U H6 3.000 . 4.000 3.533 3.533 3.533 . 0 0 "[ ]" 1
29 1 9 U H5 1 9 U H6 2.400 . 3.000 2.406 2.406 2.406 . 0 0 "[ ]" 1
30 1 9 U H2' 1 9 U H6 3.000 . 4.000 3.863 3.863 3.863 . 0 0 "[ ]" 1
31 1 9 U H3' 1 9 U H6 4.000 3.000 5.000 3.065 3.065 3.065 . 0 0 "[ ]" 1
32 1 9 U H4' 1 9 U H6 4.000 3.000 5.000 4.096 4.096 4.096 . 0 0 "[ ]" 1
33 1 9 U H1' 1 9 U H2' 2.400 . 3.000 2.835 2.835 2.835 . 0 0 "[ ]" 1
34 1 9 U H1' 1 9 U H3' 4.000 3.000 5.000 3.901 3.901 3.901 . 0 0 "[ ]" 1
35 1 9 U H1' 1 9 U H4' 3.000 . 4.000 3.315 3.315 3.315 . 0 0 "[ ]" 1
36 1 9 U H1' 1 9 U H5'' 3.000 . 5.800 5.144 5.144 5.144 . 0 0 "[ ]" 1
37 1 9 U H1' 1 10 C H2' 4.000 3.000 5.000 4.872 4.872 4.872 . 0 0 "[ ]" 1
38 1 9 U H1' 1 11 A H8 3.000 . 4.000 3.974 3.974 3.974 . 0 0 "[ ]" 1
39 1 9 U H2' 1 10 C H6 4.000 3.000 5.000 3.595 3.595 3.595 . 0 0 "[ ]" 1
40 1 9 U H2' 1 11 A H8 3.000 . 3.000 2.869 2.869 2.869 . 0 0 "[ ]" 1
41 1 10 C H1' 1 10 C H6 3.000 . 4.000 3.703 3.703 3.703 . 0 0 "[ ]" 1
42 1 10 C H5 1 10 C H6 2.400 . 3.000 2.436 2.436 2.436 . 0 0 "[ ]" 1
43 1 10 C H2' 1 10 C H6 3.000 . 4.000 2.518 2.518 2.518 . 0 0 "[ ]" 1
44 1 10 C H3' 1 10 C H6 3.000 . 4.000 3.842 3.842 3.842 . 0 0 "[ ]" 1
45 1 10 C H4' 1 10 C H6 4.000 3.000 5.000 4.282 4.282 4.282 . 0 0 "[ ]" 1
46 1 10 C H5' 1 10 C H6 4.000 . 6.800 3.536 3.536 3.536 . 0 0 "[ ]" 1
47 1 10 C H6 1 11 A H8 4.000 3.000 5.000 4.634 4.634 4.634 . 0 0 "[ ]" 1
48 1 10 C H1' 1 10 C H2' 2.400 . 3.000 3.031 3.031 3.031 0.031 1 0 "[ ]" 1
49 1 10 C H1' 1 10 C H4' 3.000 . 4.000 3.423 3.423 3.423 . 0 0 "[ ]" 1
50 1 10 C H1' 1 10 C H5' 4.000 . 6.800 4.692 4.692 4.692 . 0 0 "[ ]" 1
51 1 10 C H1' 1 11 A H8 4.000 3.000 5.000 4.592 4.592 4.592 . 0 0 "[ ]" 1
52 1 10 C H2' 1 11 A H8 2.400 . 3.000 2.229 2.229 2.229 . 0 0 "[ ]" 1
53 1 10 C H3' 1 11 A H8 2.400 . 3.000 2.617 2.617 2.617 . 0 0 "[ ]" 1
54 1 10 C H4' 1 11 A H8 4.000 3.000 4.000 5.057 5.057 5.057 1.057 1 1 [+] 1
55 1 10 C H5' 1 11 A H8 4.000 . 6.800 5.998 5.998 5.998 . 0 0 "[ ]" 1
56 1 11 A H2 1 12 U H1' 4.000 3.000 5.000 4.916 4.916 4.916 . 0 0 "[ ]" 1
57 1 11 A H1' 1 11 A H8 3.000 . 4.000 3.844 3.844 3.844 . 0 0 "[ ]" 1
58 1 11 A H2' 1 11 A H8 3.000 . 3.000 3.488 3.488 3.488 0.488 1 0 "[ ]" 1
59 1 11 A H3' 1 11 A H8 2.400 . 3.000 2.736 2.736 2.736 . 0 0 "[ ]" 1
60 1 11 A H5' 1 11 A H8 4.000 . 6.800 4.184 4.184 4.184 . 0 0 "[ ]" 1
61 1 11 A H8 1 12 U H6 4.000 3.000 5.000 4.903 4.903 4.903 . 0 0 "[ ]" 1
62 1 11 A H1' 1 11 A H2' 3.000 3.000 4.000 2.851 2.851 2.851 0.149 1 0 "[ ]" 1
63 1 11 A H1' 1 11 A H3' 4.000 3.000 5.000 3.875 3.875 3.875 . 0 0 "[ ]" 1
64 1 11 A H1' 1 11 A H4' 3.000 . 4.000 3.176 3.176 3.176 . 0 0 "[ ]" 1
65 1 11 A H2' 1 11 A H3' 3.000 3.000 4.000 2.400 2.400 2.400 0.600 1 1 [+] 1
66 1 11 A H2' 1 12 U H6 3.000 . 4.000 2.389 2.389 2.389 . 0 0 "[ ]" 1
67 1 11 A H3' 1 11 A H4' 4.000 3.000 5.000 3.016 3.016 3.016 . 0 0 "[ ]" 1
68 1 11 A H3' 1 11 A H5' 4.000 . 6.800 3.717 3.717 3.717 . 0 0 "[ ]" 1
69 1 11 A H3' 1 11 A H5'' 4.000 . 6.800 3.068 3.068 3.068 . 0 0 "[ ]" 1
70 1 11 A H3' 1 12 U H6 4.000 3.000 5.000 4.010 4.010 4.010 . 0 0 "[ ]" 1
71 1 11 A H3' 1 12 U H5'' 4.000 . 6.800 5.219 5.219 5.219 . 0 0 "[ ]" 1
72 1 12 U H1' 1 12 U H6 3.000 . 4.000 3.695 3.695 3.695 . 0 0 "[ ]" 1
73 1 12 U H5 1 12 U H6 2.400 . 3.000 2.410 2.410 2.410 . 0 0 "[ ]" 1
74 1 12 U H2' 1 12 U H6 2.400 . 3.000 2.460 2.460 2.460 . 0 0 "[ ]" 1
75 1 12 U H3' 1 12 U H6 3.000 . 4.000 3.680 3.680 3.680 . 0 0 "[ ]" 1
76 1 12 U H5' 1 12 U H6 4.000 . 6.800 4.337 4.337 4.337 . 0 0 "[ ]" 1
77 1 12 U H5'' 1 12 U H6 4.000 . 6.800 4.573 4.573 4.573 . 0 0 "[ ]" 1
78 1 12 U H1' 1 12 U H2' 2.400 . 3.000 3.036 3.036 3.036 0.036 1 0 "[ ]" 1
79 1 12 U H1' 1 12 U H3' 4.000 3.000 5.000 3.956 3.956 3.956 . 0 0 "[ ]" 1
80 1 12 U H1' 1 12 U H4' 4.000 3.000 5.000 2.987 2.987 2.987 0.013 1 0 "[ ]" 1
81 1 12 U H1' 1 12 U H5' 4.000 . 6.800 4.561 4.561 4.561 . 0 0 "[ ]" 1
82 1 12 U H1' 1 12 U H5'' 4.000 . 6.800 4.932 4.932 4.932 . 0 0 "[ ]" 1
83 1 12 U H2' 1 13 A H8 4.000 3.000 5.000 2.916 2.916 2.916 0.084 1 0 "[ ]" 1
84 1 12 U H2' 1 13 A H1' 4.000 3.000 5.000 4.980 4.980 4.980 . 0 0 "[ ]" 1
85 1 12 U H3' 1 13 A H8 2.400 . 3.000 2.207 2.207 2.207 . 0 0 "[ ]" 1
86 1 12 U H4' 1 13 A H8 4.000 3.000 5.000 4.622 4.622 4.622 . 0 0 "[ ]" 1
87 1 13 A H2 1 13 A H2' 4.000 3.000 5.000 4.824 4.824 4.824 . 0 0 "[ ]" 1
88 1 13 A H2 1 14 A H1' 2.400 . 3.000 3.023 3.023 3.023 0.023 1 0 "[ ]" 1
89 1 13 A H1' 1 13 A H8 3.000 . 4.000 3.723 3.723 3.723 . 0 0 "[ ]" 1
90 1 13 A H2' 1 13 A H8 3.000 . 4.000 4.012 4.012 4.012 0.012 1 0 "[ ]" 1
91 1 13 A H3' 1 13 A H8 2.400 . 3.000 2.661 2.661 2.661 . 0 0 "[ ]" 1
92 1 13 A H4' 1 13 A H8 3.000 . 4.000 4.079 4.079 4.079 0.079 1 0 "[ ]" 1
93 1 13 A H5' 1 13 A H8 2.400 . 4.800 3.349 3.349 3.349 . 0 0 "[ ]" 1
94 1 13 A H1' 1 13 A H2' 2.400 . 3.000 2.749 2.749 2.749 . 0 0 "[ ]" 1
95 1 13 A H1' 1 13 A H3' 3.000 . 3.000 3.792 3.792 3.792 0.792 1 1 [+] 1
96 1 13 A H1' 1 13 A H4' 4.000 3.000 5.000 3.539 3.539 3.539 . 0 0 "[ ]" 1
97 1 13 A H1' 1 13 A H5' 4.000 . 6.800 4.653 4.653 4.653 . 0 0 "[ ]" 1
98 1 13 A H1' 1 14 A H8 4.000 3.000 4.000 4.481 4.481 4.481 0.481 1 0 "[ ]" 1
99 1 13 A H1' 1 14 A H1' 3.000 . 4.000 4.019 4.019 4.019 0.019 1 0 "[ ]" 1
100 1 13 A H1' 1 14 A H5' 4.000 . 6.800 5.158 5.158 5.158 . 0 0 "[ ]" 1
101 1 13 A H2' 1 13 A H3' 3.000 3.000 4.000 2.435 2.435 2.435 0.565 1 1 [+] 1
102 1 13 A H2' 1 13 A H4' 4.000 3.000 5.000 3.786 3.786 3.786 . 0 0 "[ ]" 1
103 1 13 A H2' 1 13 A H5' 4.000 . 6.800 5.359 5.359 5.359 . 0 0 "[ ]" 1
104 1 13 A H2' 1 14 A H8 2.400 . 3.000 1.970 1.970 1.970 . 0 0 "[ ]" 1
105 1 13 A H2' 1 14 A H1' 2.400 . 3.000 3.037 3.037 3.037 0.037 1 0 "[ ]" 1
106 1 13 A H2' 1 14 A H4' 4.000 3.000 5.000 3.585 3.585 3.585 . 0 0 "[ ]" 1
107 1 13 A H2' 1 14 A H5' 4.000 . 6.800 3.287 3.287 3.287 . 0 0 "[ ]" 1
108 1 13 A H3' 1 14 A H8 2.400 . 3.000 2.923 2.923 2.923 . 0 0 "[ ]" 1
109 1 14 A H2 1 15 C H1' 2.400 . 3.000 3.016 3.016 3.016 0.016 1 0 "[ ]" 1
110 1 14 A H1' 1 14 A H8 3.000 . 4.000 3.522 3.522 3.522 . 0 0 "[ ]" 1
111 1 14 A H3' 1 14 A H8 4.000 3.000 5.000 3.569 3.569 3.569 . 0 0 "[ ]" 1
112 1 14 A H5' 1 14 A H8 3.000 . 5.800 4.112 4.112 4.112 . 0 0 "[ ]" 1
113 1 14 A H8 1 15 C H6 . 3.000 3.000 4.318 4.318 4.318 1.318 1 1 [+] 1
114 1 14 A H8 1 15 C H5 4.000 3.000 5.000 3.247 3.247 3.247 . 0 0 "[ ]" 1
115 1 14 A H1' 1 14 A H2' 2.400 . 3.000 2.795 2.795 2.795 . 0 0 "[ ]" 1
116 1 14 A H1' 1 14 A H3' 4.000 3.000 5.000 3.833 3.833 3.833 . 0 0 "[ ]" 1
117 1 14 A H1' 1 14 A H4' 4.000 3.000 5.000 3.410 3.410 3.410 . 0 0 "[ ]" 1
118 1 14 A H1' 1 14 A H5' 4.000 . 6.800 4.832 4.832 4.832 . 0 0 "[ ]" 1
119 1 14 A H1' 1 15 C H6 4.000 3.000 5.000 4.866 4.866 4.866 . 0 0 "[ ]" 1
120 1 14 A H1' 1 15 C Q5' 4.000 . 4.800 4.935 4.935 4.935 0.135 1 0 "[ ]" 1
121 1 14 A H3' 1 15 C H6 2.400 . 3.000 1.981 1.981 1.981 . 0 0 "[ ]" 1
122 1 14 A H3' 1 15 C H1' 4.000 3.000 5.000 5.122 5.122 5.122 0.122 1 0 "[ ]" 1
123 1 14 A H3' 1 15 C H5 4.000 3.000 5.000 2.930 2.930 2.930 0.070 1 0 "[ ]" 1
124 1 14 A H4' 1 15 C H6 4.000 3.000 5.000 4.946 4.946 4.946 . 0 0 "[ ]" 1
125 1 11 A H1' 1 12 U H6 4.000 3.000 5.000 5.036 5.036 5.036 0.036 1 0 "[ ]" 1
126 1 12 U H1' 1 13 A H8 4.000 3.000 5.000 5.004 5.004 5.004 0.004 1 0 "[ ]" 1
127 1 8 C H6 1 9 U H5 4.000 3.000 5.000 3.772 3.772 3.772 . 0 0 "[ ]" 1
128 1 12 U H6 1 13 A H8 4.000 3.000 5.000 5.080 5.080 5.080 0.080 1 0 "[ ]" 1
129 1 7 G H1' 1 8 C H3' 4.000 3.000 5.000 7.343 7.343 7.343 2.343 1 1 [+] 1
130 1 7 G H5' 1 8 C H5 4.000 . 6.800 5.590 5.590 5.590 . 0 0 "[ ]" 1
131 1 8 C H6 1 11 A H8 2.400 . 3.000 9.998 9.998 9.998 6.998 1 1 [+] 1
132 1 8 C H1' 1 8 C H5 4.000 3.000 5.000 5.285 5.285 5.285 0.285 1 0 "[ ]" 1
133 1 8 C H4' 1 8 C H5 4.000 3.000 5.000 6.209 6.209 6.209 1.209 1 1 [+] 1
134 1 9 U H3' 1 10 C H1' 4.000 3.000 5.000 6.820 6.820 6.820 1.820 1 1 [+] 1
135 1 10 C H4' 1 11 A H3' 4.000 3.000 5.000 6.769 6.769 6.769 1.769 1 1 [+] 1
136 1 1 G H1' 1 1 G H2' 2.805 2.705 2.905 2.811 2.811 2.811 . 0 0 "[ ]" 1
137 1 1 G H1' 1 1 G H3' 3.857 3.757 3.957 3.861 3.861 3.861 . 0 0 "[ ]" 1
138 1 1 G H1' 1 1 G H4' 3.398 3.298 3.498 3.357 3.357 3.357 . 0 0 "[ ]" 1
139 1 1 G H1' 1 1 G H5' 4.577 4.477 4.677 4.526 4.526 4.526 . 0 0 "[ ]" 1
140 1 1 G H1' 1 1 G HO2' 2.565 2.465 2.665 2.678 2.678 2.678 0.013 1 0 "[ ]" 1
141 1 1 G H1' 1 1 G H22 4.774 4.674 4.874 4.773 4.773 4.773 . 0 0 "[ ]" 1
142 1 1 G H1' 1 1 G H8 3.727 3.627 3.827 3.680 3.680 3.680 . 0 0 "[ ]" 1
143 1 1 G H1' 1 2 G H5' 4.676 4.576 4.776 4.751 4.751 4.751 . 0 0 "[ ]" 1
144 1 1 G H1' 1 2 G H8 4.319 4.219 4.419 4.423 4.423 4.423 0.004 1 0 "[ ]" 1
145 1 1 G H2' 1 1 G H3' 2.425 2.325 2.525 2.413 2.413 2.413 . 0 0 "[ ]" 1
146 1 1 G H2' 1 1 G H4' 3.813 3.713 3.913 3.807 3.807 3.807 . 0 0 "[ ]" 1
147 1 1 G H2' 1 1 G HO2' 2.946 2.846 3.046 2.848 2.848 2.848 . 0 0 "[ ]" 1
148 1 1 G H2' 1 1 G H22 4.702 4.602 4.802 4.709 4.709 4.709 . 0 0 "[ ]" 1
149 1 1 G H2' 1 1 G H8 4.149 4.049 4.249 4.067 4.067 4.067 . 0 0 "[ ]" 1
150 1 1 G H2' 1 2 G H1' 4.193 4.093 4.293 4.181 4.181 4.181 . 0 0 "[ ]" 1
151 1 1 G H2' 1 2 G H3' 4.263 4.163 4.363 4.227 4.227 4.227 . 0 0 "[ ]" 1
152 1 1 G H2' 1 2 G H4' 4.442 4.342 4.542 4.412 4.412 4.412 . 0 0 "[ ]" 1
153 1 1 G H2' 1 2 G H5' 2.890 2.790 2.990 2.880 2.880 2.880 . 0 0 "[ ]" 1
154 1 1 G H2' 1 2 G H5'' 4.268 4.168 4.368 4.321 4.321 4.321 . 0 0 "[ ]" 1
155 1 1 G H2' 1 2 G H8 1.674 . 1.774 1.802 1.802 1.802 0.028 1 0 "[ ]" 1
156 1 1 G H3' 1 1 G H4' 3.007 2.907 3.107 3.011 3.011 3.011 . 0 0 "[ ]" 1
157 1 1 G H3' 1 1 G H5' 3.686 3.586 3.786 3.640 3.640 3.640 . 0 0 "[ ]" 1
158 1 1 G H3' 1 1 G H5'' 3.085 2.985 3.185 3.154 3.154 3.154 . 0 0 "[ ]" 1
159 1 1 G H3' 1 1 G HO2' 3.596 3.496 3.696 3.492 3.492 3.492 0.004 1 0 "[ ]" 1
160 1 1 G H3' 1 1 G H8 3.196 3.096 3.296 3.153 3.153 3.153 . 0 0 "[ ]" 1
161 1 1 G H3' 1 2 G H5' 3.959 3.859 4.059 3.921 3.921 3.921 . 0 0 "[ ]" 1
162 1 1 G H3' 1 2 G H5'' 4.908 4.808 5.008 4.941 4.941 4.941 . 0 0 "[ ]" 1
163 1 1 G H3' 1 2 G H8 3.024 2.924 3.124 3.045 3.045 3.045 . 0 0 "[ ]" 1
164 1 1 G H4' 1 1 G H5' 2.534 2.434 2.634 2.566 2.566 2.566 . 0 0 "[ ]" 1
165 1 1 G H4' 1 1 G H5'' 2.370 2.270 2.470 2.311 2.311 2.311 . 0 0 "[ ]" 1
166 1 1 G H4' 1 1 G HO2' 2.043 . 2.143 2.071 2.071 2.071 . 0 0 "[ ]" 1
167 1 1 G H4' 1 1 G H8 4.410 4.310 4.510 4.351 4.351 4.351 . 0 0 "[ ]" 1
168 1 1 G H4' 1 2 G H5' 4.167 4.067 4.267 4.274 4.274 4.274 0.007 1 0 "[ ]" 1
169 1 1 G H5' 1 1 G H5'' 1.776 . 1.876 1.774 1.774 1.774 . 0 0 "[ ]" 1
170 1 1 G H5' 1 1 G HO2' 4.409 4.309 4.509 4.491 4.491 4.491 . 0 0 "[ ]" 1
171 1 1 G H5' 1 1 G H8 3.565 3.465 3.665 3.446 3.446 3.446 0.019 1 0 "[ ]" 1
172 1 1 G H5'' 1 1 G HO2' 4.309 4.209 4.409 4.238 4.238 4.238 . 0 0 "[ ]" 1
173 1 1 G H5'' 1 1 G H8 4.368 4.268 4.468 4.391 4.391 4.391 . 0 0 "[ ]" 1
174 1 1 G HO2' 1 2 G H5' 2.941 2.841 3.041 2.856 2.856 2.856 . 0 0 "[ ]" 1
175 1 1 G HO2' 1 2 G H5'' 4.601 4.501 4.701 4.506 4.506 4.506 . 0 0 "[ ]" 1
176 1 1 G HO2' 1 2 G H8 4.548 4.448 4.648 4.564 4.564 4.564 . 0 0 "[ ]" 1
177 1 1 G H21 1 1 G H22 1.784 . 1.884 1.753 1.753 1.753 . 0 0 "[ ]" 1
178 1 1 G H1 1 1 G H22 3.480 3.380 3.580 3.452 3.452 3.452 . 0 0 "[ ]" 1
179 1 1 G H22 1 2 G H1' 3.255 3.155 3.355 3.375 3.375 3.375 0.020 1 0 "[ ]" 1
180 1 1 G H22 1 2 G H8 4.876 4.776 4.976 4.953 4.953 4.953 . 0 0 "[ ]" 1
181 1 1 G H1 1 1 G H21 2.168 2.068 2.268 2.173 2.173 2.173 . 0 0 "[ ]" 1
182 1 1 G H21 1 2 G H1' 4.205 4.105 4.305 4.236 4.236 4.236 . 0 0 "[ ]" 1
183 1 1 G H21 1 2 G H22 4.773 4.673 4.873 4.765 4.765 4.765 . 0 0 "[ ]" 1
184 1 1 G H21 1 2 G H1 4.790 4.690 4.890 4.736 4.736 4.736 . 0 0 "[ ]" 1
185 1 1 G H21 1 21 C H1' 4.317 4.217 4.417 4.178 4.178 4.178 0.039 1 0 "[ ]" 1
186 1 1 G H21 1 21 C H2' 4.667 4.567 4.767 4.552 4.552 4.552 0.015 1 0 "[ ]" 1
187 1 1 G H21 1 21 C H41 4.566 4.466 4.666 4.571 4.571 4.571 . 0 0 "[ ]" 1
188 1 1 G H8 1 2 G H8 4.797 4.697 4.897 4.694 4.694 4.694 0.003 1 0 "[ ]" 1
189 1 1 G H1 1 2 G H1 4.082 3.982 4.182 3.964 3.964 3.964 0.018 1 0 "[ ]" 1
190 1 1 G H1 1 20 C H41 4.748 4.648 4.848 4.678 4.678 4.678 . 0 0 "[ ]" 1
191 1 1 G H1 1 21 C H42 4.023 3.923 4.123 4.010 4.010 4.010 . 0 0 "[ ]" 1
192 1 1 G H1 1 21 C H41 2.479 2.379 2.579 2.493 2.493 2.493 . 0 0 "[ ]" 1
193 1 2 G H1' 1 2 G H2' 2.805 2.705 2.905 2.811 2.811 2.811 . 0 0 "[ ]" 1
194 1 2 G H1' 1 2 G H3' 3.857 3.757 3.957 3.841 3.841 3.841 . 0 0 "[ ]" 1
195 1 2 G H1' 1 2 G H4' 3.397 3.297 3.497 3.299 3.299 3.299 . 0 0 "[ ]" 1
196 1 2 G H1' 1 2 G H5' 4.577 4.477 4.677 4.532 4.532 4.532 . 0 0 "[ ]" 1
197 1 2 G H1' 1 2 G HO2' 2.564 2.464 2.664 2.631 2.631 2.631 . 0 0 "[ ]" 1
198 1 2 G H1' 1 2 G H22 4.775 4.675 4.875 4.711 4.711 4.711 . 0 0 "[ ]" 1
199 1 2 G H1' 1 2 G H8 3.727 3.627 3.827 3.696 3.696 3.696 . 0 0 "[ ]" 1
200 1 2 G H1' 1 3 C H5' 4.677 4.577 4.777 4.725 4.725 4.725 . 0 0 "[ ]" 1
201 1 2 G H1' 1 3 C H6 4.298 4.198 4.398 4.431 4.431 4.431 0.033 1 0 "[ ]" 1
202 1 2 G H1' 1 3 C H5 4.980 4.880 5.080 5.082 5.082 5.082 0.002 1 0 "[ ]" 1
203 1 2 G H2' 1 2 G H3' 2.425 2.325 2.525 2.413 2.413 2.413 . 0 0 "[ ]" 1
204 1 2 G H2' 1 2 G H4' 3.812 3.712 3.912 3.765 3.765 3.765 . 0 0 "[ ]" 1
205 1 2 G H2' 1 2 G HO2' 2.946 2.846 3.046 2.853 2.853 2.853 . 0 0 "[ ]" 1
206 1 2 G H2' 1 2 G H22 4.702 4.602 4.802 4.739 4.739 4.739 . 0 0 "[ ]" 1
207 1 2 G H2' 1 2 G H8 4.150 4.050 4.250 4.034 4.034 4.034 0.016 1 0 "[ ]" 1
208 1 2 G H2' 1 3 C H1' 4.192 4.092 4.292 4.248 4.248 4.248 . 0 0 "[ ]" 1
209 1 2 G H2' 1 3 C H3' 4.263 4.163 4.363 4.254 4.254 4.254 . 0 0 "[ ]" 1
210 1 2 G H2' 1 3 C H4' 4.442 4.342 4.542 4.467 4.467 4.467 . 0 0 "[ ]" 1
211 1 2 G H2' 1 3 C H5' 2.890 2.790 2.990 2.949 2.949 2.949 . 0 0 "[ ]" 1
212 1 2 G H2' 1 3 C H5'' 4.268 4.168 4.368 4.301 4.301 4.301 . 0 0 "[ ]" 1
213 1 2 G H2' 1 3 C H6 1.583 . 1.683 1.719 1.719 1.719 0.036 1 0 "[ ]" 1
214 1 2 G H2' 1 3 C H5 3.090 2.990 3.190 3.143 3.143 3.143 . 0 0 "[ ]" 1
215 1 2 G H3' 1 2 G H4' 3.006 2.906 3.106 3.018 3.018 3.018 . 0 0 "[ ]" 1
216 1 2 G H3' 1 2 G H5' 3.686 3.586 3.786 3.690 3.690 3.690 . 0 0 "[ ]" 1
217 1 2 G H3' 1 2 G H5'' 3.085 2.985 3.185 3.188 3.188 3.188 0.003 1 0 "[ ]" 1
218 1 2 G H3' 1 2 G HO2' 3.596 3.496 3.696 3.517 3.517 3.517 . 0 0 "[ ]" 1
219 1 2 G H3' 1 2 G H8 3.196 3.096 3.296 3.083 3.083 3.083 0.013 1 0 "[ ]" 1
220 1 2 G H3' 1 3 C H5' 3.958 3.858 4.058 4.064 4.064 4.064 0.006 1 0 "[ ]" 1
221 1 2 G H3' 1 3 C H5'' 4.908 4.808 5.008 5.012 5.012 5.012 0.004 1 0 "[ ]" 1
222 1 2 G H3' 1 3 C H6 3.105 3.005 3.205 3.216 3.216 3.216 0.011 1 0 "[ ]" 1
223 1 2 G H3' 1 3 C H5 3.314 3.214 3.414 3.434 3.434 3.434 0.020 1 0 "[ ]" 1
224 1 2 G H4' 1 2 G H5' 2.534 2.434 2.634 2.540 2.540 2.540 . 0 0 "[ ]" 1
225 1 2 G H4' 1 2 G H5'' 2.371 2.271 2.471 2.319 2.319 2.319 . 0 0 "[ ]" 1
226 1 2 G H4' 1 2 G HO2' 2.043 . 2.143 2.004 2.004 2.004 . 0 0 "[ ]" 1
227 1 2 G H4' 1 2 G H8 4.410 4.310 4.510 4.383 4.383 4.383 . 0 0 "[ ]" 1
228 1 2 G H4' 1 3 C H5' 4.167 4.067 4.267 4.229 4.229 4.229 . 0 0 "[ ]" 1
229 1 2 G H5' 1 2 G H5'' 1.776 . 1.876 1.774 1.774 1.774 . 0 0 "[ ]" 1
230 1 2 G H5' 1 2 G HO2' 4.410 4.310 4.510 4.426 4.426 4.426 . 0 0 "[ ]" 1
231 1 2 G H5' 1 2 G H8 3.565 3.465 3.665 3.635 3.635 3.635 . 0 0 "[ ]" 1
232 1 2 G H5'' 1 2 G HO2' 4.310 4.210 4.410 4.194 4.194 4.194 0.016 1 0 "[ ]" 1
233 1 2 G H5'' 1 2 G H8 4.368 4.268 4.468 4.487 4.487 4.487 0.019 1 0 "[ ]" 1
234 1 2 G HO2' 1 3 C H5' 2.941 2.841 3.041 2.836 2.836 2.836 0.005 1 0 "[ ]" 1
235 1 2 G HO2' 1 3 C H5'' 4.601 4.501 4.701 4.498 4.498 4.498 0.003 1 0 "[ ]" 1
236 1 2 G HO2' 1 3 C H6 4.372 4.272 4.472 4.377 4.377 4.377 . 0 0 "[ ]" 1
237 1 2 G H21 1 2 G H22 1.784 . 1.884 1.752 1.752 1.752 . 0 0 "[ ]" 1
238 1 2 G H1 1 2 G H22 3.480 3.380 3.580 3.465 3.465 3.465 . 0 0 "[ ]" 1
239 1 2 G H22 1 3 C H1' 3.255 3.155 3.355 3.315 3.315 3.315 . 0 0 "[ ]" 1
240 1 2 G H22 1 3 C H6 4.826 4.726 4.926 4.936 4.936 4.936 0.010 1 0 "[ ]" 1
241 1 2 G H22 1 19 G H21 4.571 4.471 4.671 4.621 4.621 4.621 . 0 0 "[ ]" 1
242 1 2 G H22 1 21 C H1' 4.493 4.393 4.593 4.374 4.374 4.374 0.019 1 0 "[ ]" 1
243 1 2 G H1 1 2 G H21 2.169 2.069 2.269 2.198 2.198 2.198 . 0 0 "[ ]" 1
244 1 2 G H21 1 3 C H1' 4.205 4.105 4.305 4.188 4.188 4.188 . 0 0 "[ ]" 1
245 1 2 G H21 1 19 G H22 4.571 4.471 4.671 4.638 4.638 4.638 . 0 0 "[ ]" 1
246 1 2 G H21 1 19 G H21 3.565 3.465 3.665 3.659 3.659 3.659 . 0 0 "[ ]" 1
247 1 2 G H21 1 19 G H1 4.137 4.037 4.237 4.170 4.170 4.170 . 0 0 "[ ]" 1
248 1 2 G H21 1 20 C H1' 4.317 4.217 4.417 4.173 4.173 4.173 0.044 1 0 "[ ]" 1
249 1 2 G H21 1 20 C H2' 4.666 4.566 4.766 4.557 4.557 4.557 0.009 1 0 "[ ]" 1
250 1 2 G H21 1 20 C H41 4.566 4.466 4.666 4.658 4.658 4.658 . 0 0 "[ ]" 1
251 1 2 G H21 1 21 C H1' 4.374 4.274 4.474 4.305 4.305 4.305 . 0 0 "[ ]" 1
252 1 2 G H21 1 21 C H6 4.961 4.861 5.061 5.007 5.007 5.007 . 0 0 "[ ]" 1
253 1 2 G H8 1 3 C H5 3.899 3.799 3.999 3.913 3.913 3.913 . 0 0 "[ ]" 1
254 1 2 G H1 1 3 C H42 4.353 4.253 4.453 4.373 4.373 4.373 . 0 0 "[ ]" 1
255 1 2 G H1 1 3 C H41 3.748 3.648 3.848 3.691 3.691 3.691 . 0 0 "[ ]" 1
256 1 2 G H1 1 3 C H5 4.950 4.850 5.050 5.024 5.024 5.024 . 0 0 "[ ]" 1
257 1 2 G H1 1 19 G H21 4.137 4.037 4.237 4.237 4.237 4.237 . 0 0 "[ ]" 1
258 1 2 G H1 1 19 G H1 3.520 3.420 3.620 3.539 3.539 3.539 . 0 0 "[ ]" 1
259 1 2 G H1 1 20 C H42 4.022 3.922 4.122 4.065 4.065 4.065 . 0 0 "[ ]" 1
260 1 2 G H1 1 20 C H41 2.478 2.378 2.578 2.558 2.558 2.558 . 0 0 "[ ]" 1
261 1 2 G H1 1 21 C H42 4.084 3.984 4.184 4.166 4.166 4.166 . 0 0 "[ ]" 1
262 1 2 G H1 1 21 C H41 3.888 3.788 3.988 3.863 3.863 3.863 . 0 0 "[ ]" 1
263 1 2 G H1 1 21 C H5 4.398 4.298 4.498 4.511 4.511 4.511 0.013 1 0 "[ ]" 1
264 1 3 C H1' 1 3 C H2' 2.805 2.705 2.905 2.809 2.809 2.809 . 0 0 "[ ]" 1
265 1 3 C H1' 1 3 C H3' 3.857 3.757 3.957 3.852 3.852 3.852 . 0 0 "[ ]" 1
266 1 3 C H1' 1 3 C H4' 3.397 3.297 3.497 3.350 3.350 3.350 . 0 0 "[ ]" 1
267 1 3 C H1' 1 3 C H5' 4.576 4.476 4.676 4.565 4.565 4.565 . 0 0 "[ ]" 1
268 1 3 C H1' 1 3 C HO2' 2.564 2.464 2.664 2.610 2.610 2.610 . 0 0 "[ ]" 1
269 1 3 C H1' 1 3 C H6 3.520 3.420 3.620 3.539 3.539 3.539 . 0 0 "[ ]" 1
270 1 3 C H1' 1 4 A H5' 4.676 4.576 4.776 4.708 4.708 4.708 . 0 0 "[ ]" 1
271 1 3 C H1' 1 4 A H8 4.320 4.220 4.420 4.443 4.443 4.443 0.023 1 0 "[ ]" 1
272 1 3 C H1' 1 19 G H21 4.317 4.217 4.417 4.181 4.181 4.181 0.036 1 0 "[ ]" 1
273 1 3 C H2' 1 3 C H3' 2.425 2.325 2.525 2.413 2.413 2.413 . 0 0 "[ ]" 1
274 1 3 C H2' 1 3 C H4' 3.813 3.713 3.913 3.795 3.795 3.795 . 0 0 "[ ]" 1
275 1 3 C H2' 1 3 C HO2' 2.947 2.847 3.047 2.853 2.853 2.853 . 0 0 "[ ]" 1
276 1 3 C H2' 1 3 C H6 3.999 3.899 4.099 3.890 3.890 3.890 0.009 1 0 "[ ]" 1
277 1 3 C H2' 1 4 A H1' 4.192 4.092 4.292 4.240 4.240 4.240 . 0 0 "[ ]" 1
278 1 3 C H2' 1 4 A H3' 4.263 4.163 4.363 4.281 4.281 4.281 . 0 0 "[ ]" 1
279 1 3 C H2' 1 4 A H4' 4.442 4.342 4.542 4.465 4.465 4.465 . 0 0 "[ ]" 1
280 1 3 C H2' 1 4 A H5' 2.891 2.791 2.991 2.919 2.919 2.919 . 0 0 "[ ]" 1
281 1 3 C H2' 1 4 A H5'' 4.268 4.168 4.368 4.329 4.329 4.329 . 0 0 "[ ]" 1
282 1 3 C H2' 1 4 A H8 1.662 . 1.762 1.793 1.793 1.793 0.031 1 0 "[ ]" 1
283 1 3 C H2' 1 19 G H21 4.666 4.566 4.766 4.560 4.560 4.560 0.006 1 0 "[ ]" 1
284 1 3 C H3' 1 3 C H4' 3.007 2.907 3.107 3.012 3.012 3.012 . 0 0 "[ ]" 1
285 1 3 C H3' 1 3 C H5' 3.686 3.586 3.786 3.697 3.697 3.697 . 0 0 "[ ]" 1
286 1 3 C H3' 1 3 C H5'' 3.085 2.985 3.185 3.090 3.090 3.090 . 0 0 "[ ]" 1
287 1 3 C H3' 1 3 C HO2' 3.595 3.495 3.695 3.512 3.512 3.512 . 0 0 "[ ]" 1
288 1 3 C H3' 1 3 C H6 2.988 2.888 3.088 2.864 2.864 2.864 0.024 1 0 "[ ]" 1
289 1 3 C H3' 1 3 C H5 4.769 4.669 4.869 4.676 4.676 4.676 . 0 0 "[ ]" 1
290 1 3 C H3' 1 4 A H5' 3.958 3.858 4.058 3.979 3.979 3.979 . 0 0 "[ ]" 1
291 1 3 C H3' 1 4 A H5'' 4.908 4.808 5.008 4.985 4.985 4.985 . 0 0 "[ ]" 1
292 1 3 C H3' 1 4 A H8 3.033 2.933 3.133 3.138 3.138 3.138 0.005 1 0 "[ ]" 1
293 1 3 C H4' 1 3 C H5' 2.534 2.434 2.634 2.511 2.511 2.511 . 0 0 "[ ]" 1
294 1 3 C H4' 1 3 C H5'' 2.370 2.270 2.470 2.345 2.345 2.345 . 0 0 "[ ]" 1
295 1 3 C H4' 1 3 C HO2' 2.043 . 2.143 2.045 2.045 2.045 . 0 0 "[ ]" 1
296 1 3 C H4' 1 3 C H6 4.053 3.953 4.153 4.040 4.040 4.040 . 0 0 "[ ]" 1
297 1 3 C H4' 1 4 A H5' 4.166 4.066 4.266 4.200 4.200 4.200 . 0 0 "[ ]" 1
298 1 3 C H5' 1 3 C H5'' 1.776 . 1.876 1.774 1.774 1.774 . 0 0 "[ ]" 1
299 1 3 C H5' 1 3 C HO2' 4.409 4.309 4.509 4.427 4.427 4.427 . 0 0 "[ ]" 1
300 1 3 C H5' 1 3 C H6 3.241 3.141 3.341 3.333 3.333 3.333 . 0 0 "[ ]" 1
301 1 3 C H5'' 1 3 C HO2' 4.309 4.209 4.409 4.245 4.245 4.245 . 0 0 "[ ]" 1
302 1 3 C H5'' 1 3 C H6 4.056 3.956 4.156 4.068 4.068 4.068 . 0 0 "[ ]" 1
303 1 3 C H6 1 3 C HO2' 4.846 4.746 4.946 4.832 4.832 4.832 . 0 0 "[ ]" 1
304 1 3 C HO2' 1 4 A H5' 2.941 2.841 3.041 2.834 2.834 2.834 0.007 1 0 "[ ]" 1
305 1 3 C HO2' 1 4 A H5'' 4.602 4.502 4.702 4.497 4.497 4.497 0.005 1 0 "[ ]" 1
306 1 3 C HO2' 1 4 A H8 4.527 4.427 4.627 4.546 4.546 4.546 . 0 0 "[ ]" 1
307 1 3 C H41 1 3 C H42 1.784 . 1.884 1.744 1.744 1.744 . 0 0 "[ ]" 1
308 1 3 C H42 1 3 C H6 4.650 4.550 4.750 4.651 4.651 4.651 . 0 0 "[ ]" 1
309 1 3 C H42 1 3 C H5 2.425 2.325 2.525 2.444 2.444 2.444 . 0 0 "[ ]" 1
310 1 3 C H42 1 4 A H61 4.593 4.493 4.693 4.610 4.610 4.610 . 0 0 "[ ]" 1
311 1 3 C H42 1 4 A H62 3.566 3.466 3.666 3.553 3.553 3.553 . 0 0 "[ ]" 1
312 1 3 C H42 1 19 G H1 4.023 3.923 4.123 4.091 4.091 4.091 . 0 0 "[ ]" 1
313 1 3 C H42 1 20 C H42 4.817 4.717 4.917 4.950 4.950 4.950 0.033 1 0 "[ ]" 1
314 1 3 C H42 1 20 C H41 3.705 3.605 3.805 3.783 3.783 3.783 . 0 0 "[ ]" 1
315 1 3 C H41 1 3 C H5 3.708 3.608 3.808 3.678 3.678 3.678 . 0 0 "[ ]" 1
316 1 3 C H41 1 4 A H61 3.650 3.550 3.750 3.701 3.701 3.701 . 0 0 "[ ]" 1
317 1 3 C H41 1 4 A H62 3.025 2.925 3.125 3.030 3.030 3.030 . 0 0 "[ ]" 1
318 1 3 C H41 1 19 G H21 4.567 4.467 4.667 4.677 4.677 4.677 0.010 1 0 "[ ]" 1
319 1 3 C H41 1 19 G H1 2.479 2.379 2.579 2.582 2.582 2.582 0.003 1 0 "[ ]" 1
320 1 3 C H41 1 20 C H42 3.705 3.605 3.805 3.779 3.779 3.779 . 0 0 "[ ]" 1
321 1 3 C H41 1 20 C H41 2.909 2.809 3.009 2.865 2.865 2.865 . 0 0 "[ ]" 1
322 1 3 C H5 1 3 C H6 2.457 2.357 2.557 2.436 2.436 2.436 . 0 0 "[ ]" 1
323 1 3 C H6 1 4 A H8 4.777 4.677 4.877 4.729 4.729 4.729 . 0 0 "[ ]" 1
324 1 3 C H5 1 4 A H62 4.821 4.721 4.921 4.844 4.844 4.844 . 0 0 "[ ]" 1
325 1 4 A H1' 1 4 A H2' 2.805 2.705 2.905 2.814 2.814 2.814 . 0 0 "[ ]" 1
326 1 4 A H1' 1 4 A H3' 3.857 3.757 3.957 3.856 3.856 3.856 . 0 0 "[ ]" 1
327 1 4 A H1' 1 4 A H4' 3.397 3.297 3.497 3.330 3.330 3.330 . 0 0 "[ ]" 1
328 1 4 A H1' 1 4 A H5' 4.577 4.477 4.677 4.550 4.550 4.550 . 0 0 "[ ]" 1
329 1 4 A H1' 1 4 A HO2' 2.564 2.464 2.664 2.458 2.458 2.458 0.006 1 0 "[ ]" 1
330 1 4 A H1' 1 4 A H8 3.700 3.600 3.800 3.702 3.702 3.702 . 0 0 "[ ]" 1
331 1 4 A H1' 1 4 A H2 4.791 4.691 4.891 4.771 4.771 4.771 . 0 0 "[ ]" 1
332 1 4 A H1' 1 5 G H5' 4.677 4.577 4.777 4.565 4.565 4.565 0.012 1 0 "[ ]" 1
333 1 4 A H1' 1 5 G H8 4.320 4.220 4.420 4.426 4.426 4.426 0.006 1 0 "[ ]" 1
334 1 4 A H1' 1 19 G H22 4.494 4.394 4.594 4.445 4.445 4.445 . 0 0 "[ ]" 1
335 1 4 A H1' 1 19 G H21 4.374 4.274 4.474 4.355 4.355 4.355 . 0 0 "[ ]" 1
336 1 4 A H2' 1 4 A H3' 2.425 2.325 2.525 2.410 2.410 2.410 . 0 0 "[ ]" 1
337 1 4 A H2' 1 4 A H4' 3.813 3.713 3.913 3.789 3.789 3.789 . 0 0 "[ ]" 1
338 1 4 A H2' 1 4 A HO2' 2.946 2.846 3.046 2.860 2.860 2.860 . 0 0 "[ ]" 1
339 1 4 A H2' 1 4 A H8 4.125 4.025 4.225 4.033 4.033 4.033 . 0 0 "[ ]" 1
340 1 4 A H2 1 4 A H2' 4.663 4.563 4.763 4.759 4.759 4.759 . 0 0 "[ ]" 1
341 1 4 A H2' 1 5 G H1' 4.192 4.092 4.292 4.163 4.163 4.163 . 0 0 "[ ]" 1
342 1 4 A H2' 1 5 G H3' 4.263 4.163 4.363 4.197 4.197 4.197 . 0 0 "[ ]" 1
343 1 4 A H2' 1 5 G H4' 4.442 4.342 4.542 4.332 4.332 4.332 0.010 1 0 "[ ]" 1
344 1 4 A H2' 1 5 G H5' 2.891 2.791 2.991 2.797 2.797 2.797 . 0 0 "[ ]" 1
345 1 4 A H2' 1 5 G H5'' 4.268 4.168 4.368 4.234 4.234 4.234 . 0 0 "[ ]" 1
346 1 4 A H2' 1 5 G H8 1.674 . 1.774 1.804 1.804 1.804 0.030 1 0 "[ ]" 1
347 1 4 A H3' 1 4 A H4' 3.007 2.907 3.107 3.013 3.013 3.013 . 0 0 "[ ]" 1
348 1 4 A H3' 1 4 A H5' 3.686 3.586 3.786 3.686 3.686 3.686 . 0 0 "[ ]" 1
349 1 4 A H3' 1 4 A H5'' 3.085 2.985 3.185 3.127 3.127 3.127 . 0 0 "[ ]" 1
350 1 4 A H3' 1 4 A HO2' 3.596 3.496 3.696 3.585 3.585 3.585 . 0 0 "[ ]" 1
351 1 4 A H3' 1 4 A H8 3.163 3.063 3.263 3.111 3.111 3.111 . 0 0 "[ ]" 1
352 1 4 A H3' 1 5 G H5' 3.959 3.859 4.059 3.888 3.888 3.888 . 0 0 "[ ]" 1
353 1 4 A H3' 1 5 G H5'' 4.908 4.808 5.008 4.945 4.945 4.945 . 0 0 "[ ]" 1
354 1 4 A H3' 1 5 G H8 3.024 2.924 3.124 3.137 3.137 3.137 0.013 1 0 "[ ]" 1
355 1 4 A H4' 1 4 A H5' 2.534 2.434 2.634 2.528 2.528 2.528 . 0 0 "[ ]" 1
356 1 4 A H4' 1 4 A H5'' 2.370 2.270 2.470 2.331 2.331 2.331 . 0 0 "[ ]" 1
357 1 4 A H4' 1 4 A HO2' 2.043 . 2.143 2.105 2.105 2.105 . 0 0 "[ ]" 1
358 1 4 A H4' 1 4 A H8 4.363 4.263 4.463 4.378 4.378 4.378 . 0 0 "[ ]" 1
359 1 4 A H4' 1 5 G H5' 4.168 4.068 4.268 4.108 4.108 4.108 . 0 0 "[ ]" 1
360 1 4 A H5' 1 4 A H5'' 1.776 . 1.876 1.775 1.775 1.775 . 0 0 "[ ]" 1
361 1 4 A H5' 1 4 A HO2' 4.410 4.310 4.510 4.460 4.460 4.460 . 0 0 "[ ]" 1
362 1 4 A H5' 1 4 A H8 3.522 3.422 3.622 3.615 3.615 3.615 . 0 0 "[ ]" 1
363 1 4 A H5'' 1 4 A HO2' 4.309 4.209 4.409 4.327 4.327 4.327 . 0 0 "[ ]" 1
364 1 4 A H5'' 1 4 A H8 4.325 4.225 4.425 4.428 4.428 4.428 0.003 1 0 "[ ]" 1
365 1 4 A HO2' 1 5 G H5' 2.942 2.842 3.042 2.833 2.833 2.833 0.009 1 0 "[ ]" 1
366 1 4 A HO2' 1 5 G H5'' 4.602 4.502 4.702 4.511 4.511 4.511 . 0 0 "[ ]" 1
367 1 4 A HO2' 1 5 G H8 4.547 4.447 4.647 4.609 4.609 4.609 . 0 0 "[ ]" 1
368 1 4 A H61 1 4 A H62 1.784 . 1.884 1.749 1.749 1.749 . 0 0 "[ ]" 1
369 1 4 A H2 1 4 A H61 4.506 4.406 4.606 4.484 4.484 4.484 . 0 0 "[ ]" 1
370 1 4 A H61 1 5 G H1 4.505 4.405 4.605 4.439 4.439 4.439 . 0 0 "[ ]" 1
371 1 4 A H61 1 17 C H42 4.676 4.576 4.776 4.690 4.690 4.690 . 0 0 "[ ]" 1
372 1 4 A H61 1 17 C H41 3.827 3.727 3.927 3.796 3.796 3.796 . 0 0 "[ ]" 1
373 1 4 A H61 1 18 U H3 2.396 2.296 2.496 2.320 2.320 2.320 . 0 0 "[ ]" 1
374 1 4 A H61 1 18 U H5 4.489 4.389 4.589 4.469 4.469 4.469 . 0 0 "[ ]" 1
375 1 4 A H61 1 19 G H1 4.418 4.318 4.518 4.406 4.406 4.406 . 0 0 "[ ]" 1
376 1 4 A H62 1 4 A H8 4.854 4.754 4.954 4.855 4.855 4.855 . 0 0 "[ ]" 1
377 1 4 A H62 1 17 C H41 4.579 4.479 4.679 4.503 4.503 4.503 . 0 0 "[ ]" 1
378 1 4 A H62 1 18 U H3 3.959 3.859 4.059 3.851 3.851 3.851 0.008 1 0 "[ ]" 1
379 1 4 A H62 1 19 G H1 3.962 3.862 4.062 3.939 3.939 3.939 . 0 0 "[ ]" 1
380 1 4 A H8 1 5 G H8 4.786 4.686 4.886 4.715 4.715 4.715 . 0 0 "[ ]" 1
381 1 4 A H8 1 19 G H21 4.923 4.823 5.023 4.888 4.888 4.888 . 0 0 "[ ]" 1
382 1 4 A H2 1 5 G H1' 3.831 3.731 3.931 3.798 3.798 3.798 . 0 0 "[ ]" 1
383 1 4 A H2 1 5 G H8 4.645 4.545 4.745 4.764 4.764 4.764 0.019 1 0 "[ ]" 1
384 1 4 A H2 1 18 U H3 2.931 2.831 3.031 2.916 2.916 2.916 . 0 0 "[ ]" 1
385 1 4 A H2 1 19 G H1' 4.658 4.558 4.758 4.551 4.551 4.551 0.007 1 0 "[ ]" 1
386 1 5 G H1' 1 5 G H2' 2.805 2.705 2.905 2.816 2.816 2.816 . 0 0 "[ ]" 1
387 1 5 G H1' 1 5 G H3' 3.857 3.757 3.957 3.848 3.848 3.848 . 0 0 "[ ]" 1
388 1 5 G H1' 1 5 G H4' 3.398 3.298 3.498 3.298 3.298 3.298 0.000 1 0 "[ ]" 1
389 1 5 G H1' 1 5 G H5' 4.577 4.477 4.677 4.542 4.542 4.542 . 0 0 "[ ]" 1
390 1 5 G H1' 1 5 G HO2' 2.564 2.464 2.664 2.631 2.631 2.631 . 0 0 "[ ]" 1
391 1 5 G H1' 1 5 G H22 4.774 4.674 4.874 4.736 4.736 4.736 . 0 0 "[ ]" 1
392 1 5 G H1' 1 5 G H8 3.727 3.627 3.827 3.685 3.685 3.685 . 0 0 "[ ]" 1
393 1 5 G H1' 1 6 G H5' 4.676 4.576 4.776 4.733 4.733 4.733 . 0 0 "[ ]" 1
394 1 5 G H1' 1 6 G H8 4.319 4.219 4.419 4.429 4.429 4.429 0.010 1 0 "[ ]" 1
395 1 5 G H2' 1 5 G H3' 2.425 2.325 2.525 2.414 2.414 2.414 . 0 0 "[ ]" 1
396 1 5 G H2' 1 5 G H4' 3.812 3.712 3.912 3.775 3.775 3.775 . 0 0 "[ ]" 1
397 1 5 G H2' 1 5 G HO2' 2.946 2.846 3.046 2.851 2.851 2.851 . 0 0 "[ ]" 1
398 1 5 G H2' 1 5 G H22 4.701 4.601 4.801 4.766 4.766 4.766 . 0 0 "[ ]" 1
399 1 5 G H2' 1 5 G H8 4.149 4.049 4.249 4.038 4.038 4.038 0.011 1 0 "[ ]" 1
400 1 5 G H2' 1 6 G H1' 4.192 4.092 4.292 4.168 4.168 4.168 . 0 0 "[ ]" 1
401 1 5 G H2' 1 6 G H3' 4.263 4.163 4.363 4.225 4.225 4.225 . 0 0 "[ ]" 1
402 1 5 G H2' 1 6 G H4' 4.441 4.341 4.541 4.405 4.405 4.405 . 0 0 "[ ]" 1
403 1 5 G H2' 1 6 G H5' 2.890 2.790 2.990 2.933 2.933 2.933 . 0 0 "[ ]" 1
404 1 5 G H2' 1 6 G H5'' 4.268 4.168 4.368 4.319 4.319 4.319 . 0 0 "[ ]" 1
405 1 5 G H2' 1 6 G H8 1.674 . 1.774 1.785 1.785 1.785 0.011 1 0 "[ ]" 1
406 1 5 G H3' 1 5 G H4' 3.007 2.907 3.107 3.014 3.014 3.014 . 0 0 "[ ]" 1
407 1 5 G H3' 1 5 G H5' 3.686 3.586 3.786 3.683 3.683 3.683 . 0 0 "[ ]" 1
408 1 5 G H3' 1 5 G H5'' 3.085 2.985 3.185 3.153 3.153 3.153 . 0 0 "[ ]" 1
409 1 5 G H3' 1 5 G HO2' 3.596 3.496 3.696 3.505 3.505 3.505 . 0 0 "[ ]" 1
410 1 5 G H3' 1 5 G H8 3.196 3.096 3.296 3.117 3.117 3.117 . 0 0 "[ ]" 1
411 1 5 G H3' 1 6 G H5' 3.958 3.858 4.058 3.993 3.993 3.993 . 0 0 "[ ]" 1
412 1 5 G H3' 1 6 G H5'' 4.908 4.808 5.008 4.995 4.995 4.995 . 0 0 "[ ]" 1
413 1 5 G H3' 1 6 G H8 3.024 2.924 3.124 3.119 3.119 3.119 . 0 0 "[ ]" 1
414 1 5 G H4' 1 5 G H5' 2.533 2.433 2.633 2.536 2.536 2.536 . 0 0 "[ ]" 1
415 1 5 G H4' 1 5 G H5'' 2.370 2.270 2.470 2.326 2.326 2.326 . 0 0 "[ ]" 1
416 1 5 G H4' 1 5 G HO2' 2.043 . 2.143 2.018 2.018 2.018 . 0 0 "[ ]" 1
417 1 5 G H4' 1 5 G H8 4.409 4.309 4.509 4.379 4.379 4.379 . 0 0 "[ ]" 1
418 1 5 G H4' 1 6 G H5' 4.167 4.067 4.267 4.213 4.213 4.213 . 0 0 "[ ]" 1
419 1 5 G H5' 1 5 G H5'' 1.775 . 1.875 1.773 1.773 1.773 . 0 0 "[ ]" 1
420 1 5 G H5' 1 5 G HO2' 4.409 4.309 4.509 4.440 4.440 4.440 . 0 0 "[ ]" 1
421 1 5 G H5' 1 5 G H8 3.565 3.465 3.665 3.633 3.633 3.633 . 0 0 "[ ]" 1
422 1 5 G H5'' 1 5 G HO2' 4.309 4.209 4.409 4.202 4.202 4.202 0.007 1 0 "[ ]" 1
423 1 5 G H5'' 1 5 G H8 4.368 4.268 4.468 4.479 4.479 4.479 0.011 1 0 "[ ]" 1
424 1 5 G HO2' 1 6 G H5' 2.941 2.841 3.041 2.832 2.832 2.832 0.009 1 0 "[ ]" 1
425 1 5 G HO2' 1 6 G H5'' 4.602 4.502 4.702 4.509 4.509 4.509 . 0 0 "[ ]" 1
426 1 5 G HO2' 1 6 G H8 4.547 4.447 4.647 4.547 4.547 4.547 . 0 0 "[ ]" 1
427 1 5 G H21 1 5 G H22 1.784 . 1.884 1.754 1.754 1.754 . 0 0 "[ ]" 1
428 1 5 G H1 1 5 G H22 3.479 3.379 3.579 3.461 3.461 3.461 . 0 0 "[ ]" 1
429 1 5 G H22 1 6 G H1' 3.255 3.155 3.355 3.337 3.337 3.337 . 0 0 "[ ]" 1
430 1 5 G H22 1 6 G H8 4.875 4.775 4.975 5.003 5.003 5.003 0.028 1 0 "[ ]" 1
431 1 5 G H22 1 18 U H1' 4.494 4.394 4.594 4.389 4.389 4.389 0.005 1 0 "[ ]" 1
432 1 5 G H1 1 5 G H21 2.168 2.068 2.268 2.202 2.202 2.202 . 0 0 "[ ]" 1
433 1 5 G H21 1 6 G H1' 4.205 4.105 4.305 4.229 4.229 4.229 . 0 0 "[ ]" 1
434 1 5 G H21 1 6 G H22 4.772 4.672 4.872 4.701 4.701 4.701 . 0 0 "[ ]" 1
435 1 5 G H21 1 6 G H1 4.789 4.689 4.889 4.809 4.809 4.809 . 0 0 "[ ]" 1
436 1 5 G H21 1 17 C H1' 4.316 4.216 4.416 4.203 4.203 4.203 0.013 1 0 "[ ]" 1
437 1 5 G H21 1 17 C H2' 4.666 4.566 4.766 4.574 4.574 4.574 . 0 0 "[ ]" 1
438 1 5 G H21 1 17 C H41 4.567 4.467 4.667 4.674 4.674 4.674 0.007 1 0 "[ ]" 1
439 1 5 G H21 1 18 U H1' 4.374 4.274 4.474 4.342 4.342 4.342 . 0 0 "[ ]" 1
440 1 5 G H21 1 18 U H3 4.860 4.760 4.960 4.798 4.798 4.798 . 0 0 "[ ]" 1
441 1 5 G H21 1 18 U H6 4.956 4.856 5.056 4.972 4.972 4.972 . 0 0 "[ ]" 1
442 1 5 G H8 1 6 G H8 4.797 4.697 4.897 4.736 4.736 4.736 . 0 0 "[ ]" 1
443 1 5 G H1 1 6 G H1 4.082 3.982 4.182 4.020 4.020 4.020 . 0 0 "[ ]" 1
444 1 5 G H1 1 16 C H41 4.747 4.647 4.847 4.741 4.741 4.741 . 0 0 "[ ]" 1
445 1 5 G H1 1 17 C H42 4.023 3.923 4.123 4.085 4.085 4.085 . 0 0 "[ ]" 1
446 1 5 G H1 1 17 C H41 2.479 2.379 2.579 2.566 2.566 2.566 . 0 0 "[ ]" 1
447 1 5 G H1 1 18 U H3 3.839 3.739 3.939 3.776 3.776 3.776 . 0 0 "[ ]" 1
448 1 5 G H1 1 18 U H5 4.437 4.337 4.537 4.500 4.500 4.500 . 0 0 "[ ]" 1
449 1 6 G H1' 1 6 G H2' 2.805 2.705 2.905 2.810 2.810 2.810 . 0 0 "[ ]" 1
450 1 6 G H1' 1 6 G H3' 3.857 3.757 3.957 3.840 3.840 3.840 . 0 0 "[ ]" 1
451 1 6 G H1' 1 6 G H4' 3.398 3.298 3.498 3.310 3.310 3.310 . 0 0 "[ ]" 1
452 1 6 G H1' 1 6 G H5' 4.577 4.477 4.677 4.556 4.556 4.556 . 0 0 "[ ]" 1
453 1 6 G H1' 1 6 G HO2' 2.565 2.465 2.665 2.484 2.484 2.484 . 0 0 "[ ]" 1
454 1 6 G H1' 1 6 G H22 4.774 4.674 4.874 4.741 4.741 4.741 . 0 0 "[ ]" 1
455 1 6 G H1' 1 6 G H8 3.727 3.627 3.827 3.686 3.686 3.686 . 0 0 "[ ]" 1
456 1 6 G H1' 1 7 G H5' 4.677 4.577 4.777 4.593 4.593 4.593 . 0 0 "[ ]" 1
457 1 6 G H1' 1 7 G H8 4.319 4.219 4.419 4.430 4.430 4.430 0.011 1 0 "[ ]" 1
458 1 6 G H2' 1 6 G H3' 2.425 2.325 2.525 2.418 2.418 2.418 . 0 0 "[ ]" 1
459 1 6 G H2' 1 6 G H4' 3.813 3.713 3.913 3.767 3.767 3.767 . 0 0 "[ ]" 1
460 1 6 G H2' 1 6 G HO2' 2.947 2.847 3.047 2.859 2.859 2.859 . 0 0 "[ ]" 1
461 1 6 G H2' 1 6 G H22 4.701 4.601 4.801 4.769 4.769 4.769 . 0 0 "[ ]" 1
462 1 6 G H2' 1 6 G H8 4.149 4.049 4.249 4.045 4.045 4.045 0.004 1 0 "[ ]" 1
463 1 6 G H2' 1 7 G H1' 4.192 4.092 4.292 4.165 4.165 4.165 . 0 0 "[ ]" 1
464 1 6 G H2' 1 7 G H3' 4.263 4.163 4.363 4.324 4.324 4.324 . 0 0 "[ ]" 1
465 1 6 G H2' 1 7 G H4' 4.442 4.342 4.542 4.334 4.334 4.334 0.008 1 0 "[ ]" 1
466 1 6 G H2' 1 7 G H5' 2.891 2.791 2.991 2.870 2.870 2.870 . 0 0 "[ ]" 1
467 1 6 G H2' 1 7 G H5'' 4.268 4.168 4.368 4.222 4.222 4.222 . 0 0 "[ ]" 1
468 1 6 G H2' 1 7 G H8 1.673 . 1.773 1.787 1.787 1.787 0.014 1 0 "[ ]" 1
469 1 6 G H3' 1 6 G H4' 3.008 2.908 3.108 3.018 3.018 3.018 . 0 0 "[ ]" 1
470 1 6 G H3' 1 6 G H5' 3.687 3.587 3.787 3.702 3.702 3.702 . 0 0 "[ ]" 1
471 1 6 G H3' 1 6 G H5'' 3.086 2.986 3.186 3.137 3.137 3.137 . 0 0 "[ ]" 1
472 1 6 G H3' 1 6 G HO2' 3.597 3.497 3.697 3.570 3.570 3.570 . 0 0 "[ ]" 1
473 1 6 G H3' 1 6 G H8 3.196 3.096 3.296 3.079 3.079 3.079 0.017 1 0 "[ ]" 1
474 1 6 G H3' 1 7 G H5' 3.959 3.859 4.059 4.022 4.022 4.022 . 0 0 "[ ]" 1
475 1 6 G H3' 1 7 G H5'' 4.908 4.808 5.008 4.997 4.997 4.997 . 0 0 "[ ]" 1
476 1 6 G H3' 1 7 G H8 3.023 2.923 3.123 3.134 3.134 3.134 0.011 1 0 "[ ]" 1
477 1 6 G H4' 1 6 G H5' 2.534 2.434 2.634 2.517 2.517 2.517 . 0 0 "[ ]" 1
478 1 6 G H4' 1 6 G H5'' 2.370 2.270 2.470 2.340 2.340 2.340 . 0 0 "[ ]" 1
479 1 6 G H4' 1 6 G HO2' 2.044 . 2.144 2.033 2.033 2.033 . 0 0 "[ ]" 1
480 1 6 G H4' 1 6 G H8 4.409 4.309 4.509 4.367 4.367 4.367 . 0 0 "[ ]" 1
481 1 6 G H4' 1 7 G H5' 4.167 4.067 4.267 4.124 4.124 4.124 . 0 0 "[ ]" 1
482 1 6 G H5' 1 6 G H5'' 1.776 . 1.876 1.774 1.774 1.774 . 0 0 "[ ]" 1
483 1 6 G H5' 1 6 G HO2' 4.410 4.310 4.510 4.402 4.402 4.402 . 0 0 "[ ]" 1
484 1 6 G H5' 1 6 G H8 3.564 3.464 3.664 3.663 3.663 3.663 . 0 0 "[ ]" 1
485 1 6 G H5'' 1 6 G HO2' 4.310 4.210 4.410 4.264 4.264 4.264 . 0 0 "[ ]" 1
486 1 6 G H5'' 1 6 G H8 4.368 4.268 4.468 4.444 4.444 4.444 . 0 0 "[ ]" 1
487 1 6 G HO2' 1 7 G H5' 2.941 2.841 3.041 2.830 2.830 2.830 0.011 1 0 "[ ]" 1
488 1 6 G HO2' 1 7 G H5'' 4.602 4.502 4.702 4.517 4.517 4.517 . 0 0 "[ ]" 1
489 1 6 G HO2' 1 7 G H8 4.547 4.447 4.647 4.575 4.575 4.575 . 0 0 "[ ]" 1
490 1 6 G H21 1 6 G H22 1.784 . 1.884 1.754 1.754 1.754 . 0 0 "[ ]" 1
491 1 6 G H1 1 6 G H22 3.479 3.379 3.579 3.458 3.458 3.458 . 0 0 "[ ]" 1
492 1 6 G H22 1 7 G H1' 3.255 3.155 3.355 3.206 3.206 3.206 . 0 0 "[ ]" 1
493 1 6 G H22 1 7 G H8 4.875 4.775 4.975 4.989 4.989 4.989 0.014 1 0 "[ ]" 1
494 1 6 G H22 1 17 C H1' 4.494 4.394 4.594 4.445 4.445 4.445 . 0 0 "[ ]" 1
495 1 6 G H1 1 6 G H21 2.169 2.069 2.269 2.186 2.186 2.186 . 0 0 "[ ]" 1
496 1 6 G H21 1 7 G H1' 4.205 4.105 4.305 4.098 4.098 4.098 0.007 1 0 "[ ]" 1
497 1 6 G H21 1 7 G H22 4.772 4.672 4.872 4.770 4.770 4.770 . 0 0 "[ ]" 1
498 1 6 G H21 1 7 G H1 4.790 4.690 4.890 4.905 4.905 4.905 0.015 1 0 "[ ]" 1
499 1 6 G H21 1 16 C H1' 4.316 4.216 4.416 4.179 4.179 4.179 0.037 1 0 "[ ]" 1
500 1 6 G H21 1 16 C H2' 4.666 4.566 4.766 4.556 4.556 4.556 0.010 1 0 "[ ]" 1
501 1 6 G H21 1 16 C H41 4.566 4.466 4.666 4.519 4.519 4.519 . 0 0 "[ ]" 1
502 1 6 G H21 1 17 C H1' 4.373 4.273 4.473 4.378 4.378 4.378 . 0 0 "[ ]" 1
503 1 6 G H21 1 17 C H6 4.961 4.861 5.061 5.001 5.001 5.001 . 0 0 "[ ]" 1
504 1 6 G H8 1 7 G H8 4.797 4.697 4.897 4.776 4.776 4.776 . 0 0 "[ ]" 1
505 1 6 G H1 1 7 G H1 4.082 3.982 4.182 4.151 4.151 4.151 . 0 0 "[ ]" 1
506 1 6 G H1 1 15 C H41 4.747 4.647 4.847 4.789 4.789 4.789 . 0 0 "[ ]" 1
507 1 6 G H1 1 16 C H42 4.023 3.923 4.123 3.954 3.954 3.954 . 0 0 "[ ]" 1
508 1 6 G H1 1 16 C H41 2.478 2.378 2.578 2.437 2.437 2.437 . 0 0 "[ ]" 1
509 1 6 G H1 1 17 C H42 4.084 3.984 4.184 4.130 4.130 4.130 . 0 0 "[ ]" 1
510 1 6 G H1 1 17 C H41 3.888 3.788 3.988 3.847 3.847 3.847 . 0 0 "[ ]" 1
511 1 6 G H1 1 17 C H5 4.398 4.298 4.498 4.501 4.501 4.501 0.003 1 0 "[ ]" 1
512 1 7 G H1' 1 7 G H2' 2.805 2.705 2.905 2.826 2.826 2.826 . 0 0 "[ ]" 1
513 1 7 G H1' 1 7 G H3' 3.857 3.757 3.957 3.892 3.892 3.892 . 0 0 "[ ]" 1
514 1 7 G H1' 1 7 G H4' 3.397 3.297 3.497 3.329 3.329 3.329 . 0 0 "[ ]" 1
515 1 7 G H1' 1 7 G H5' 4.577 4.477 4.677 4.575 4.575 4.575 . 0 0 "[ ]" 1
516 1 7 G H1' 1 7 G HO2' 2.565 2.465 2.665 2.663 2.663 2.663 . 0 0 "[ ]" 1
517 1 7 G H1' 1 7 G H22 4.775 4.675 4.875 4.737 4.737 4.737 . 0 0 "[ ]" 1
518 1 7 G H1' 1 7 G H8 3.727 3.627 3.827 3.684 3.684 3.684 . 0 0 "[ ]" 1
519 1 7 G H2' 1 7 G H3' 2.425 2.325 2.525 2.400 2.400 2.400 . 0 0 "[ ]" 1
520 1 7 G H2' 1 7 G H4' 3.813 3.713 3.913 3.831 3.831 3.831 . 0 0 "[ ]" 1
521 1 7 G H2' 1 7 G HO2' 2.947 2.847 3.047 2.846 2.846 2.846 0.001 1 0 "[ ]" 1
522 1 7 G H2' 1 7 G H22 4.701 4.601 4.801 4.745 4.745 4.745 . 0 0 "[ ]" 1
523 1 7 G H2' 1 7 G H8 4.150 4.050 4.250 4.032 4.032 4.032 0.018 1 0 "[ ]" 1
524 1 7 G H3' 1 7 G H4' 3.007 2.907 3.107 3.005 3.005 3.005 . 0 0 "[ ]" 1
525 1 7 G H3' 1 7 G H5' 3.687 3.587 3.787 3.695 3.695 3.695 . 0 0 "[ ]" 1
526 1 7 G H3' 1 7 G H5'' 3.085 2.985 3.185 2.988 2.988 2.988 . 0 0 "[ ]" 1
527 1 7 G H3' 1 7 G HO2' 3.596 3.496 3.696 3.478 3.478 3.478 0.018 1 0 "[ ]" 1
528 1 7 G H3' 1 7 G H8 3.196 3.096 3.296 3.255 3.255 3.255 . 0 0 "[ ]" 1
529 1 7 G H4' 1 7 G H5' 2.534 2.434 2.634 2.483 2.483 2.483 . 0 0 "[ ]" 1
530 1 7 G H4' 1 7 G H5'' 2.370 2.270 2.470 2.371 2.371 2.371 . 0 0 "[ ]" 1
531 1 7 G H4' 1 7 G HO2' 2.043 . 2.143 2.151 2.151 2.151 0.008 1 0 "[ ]" 1
532 1 7 G H4' 1 7 G H8 4.410 4.310 4.510 4.376 4.376 4.376 . 0 0 "[ ]" 1
533 1 7 G H5' 1 7 G H5'' 1.776 . 1.876 1.774 1.774 1.774 . 0 0 "[ ]" 1
534 1 7 G H5' 1 7 G HO2' 4.409 4.309 4.509 4.524 4.524 4.524 0.015 1 0 "[ ]" 1
535 1 7 G H5' 1 7 G H8 3.564 3.464 3.664 3.649 3.649 3.649 . 0 0 "[ ]" 1
536 1 7 G H5'' 1 7 G HO2' 4.309 4.209 4.409 4.304 4.304 4.304 . 0 0 "[ ]" 1
537 1 7 G H5'' 1 7 G H8 4.368 4.268 4.468 4.374 4.374 4.374 . 0 0 "[ ]" 1
538 1 7 G H21 1 7 G H22 1.784 . 1.884 1.753 1.753 1.753 . 0 0 "[ ]" 1
539 1 7 G H1 1 7 G H22 3.479 3.379 3.579 3.460 3.460 3.460 . 0 0 "[ ]" 1
540 1 7 G H22 1 16 C H1' 4.493 4.393 4.593 4.370 4.370 4.370 0.023 1 0 "[ ]" 1
541 1 7 G H1 1 7 G H21 2.168 2.068 2.268 2.191 2.191 2.191 . 0 0 "[ ]" 1
542 1 7 G H21 1 15 C H1' 4.317 4.217 4.417 4.205 4.205 4.205 0.012 1 0 "[ ]" 1
543 1 7 G H21 1 15 C H2' 4.667 4.567 4.767 4.529 4.529 4.529 0.038 1 0 "[ ]" 1
544 1 7 G H21 1 15 C H41 4.566 4.466 4.666 4.681 4.681 4.681 0.015 1 0 "[ ]" 1
545 1 7 G H21 1 16 C H1' 4.373 4.273 4.473 4.451 4.451 4.451 . 0 0 "[ ]" 1
546 1 7 G H21 1 16 C H6 4.961 4.861 5.061 4.976 4.976 4.976 . 0 0 "[ ]" 1
547 1 7 G H1 1 15 C H42 4.023 3.923 4.123 4.094 4.094 4.094 . 0 0 "[ ]" 1
548 1 7 G H1 1 15 C H41 2.478 2.378 2.578 2.580 2.580 2.580 0.002 1 0 "[ ]" 1
549 1 7 G H1 1 16 C H42 4.085 3.985 4.185 4.100 4.100 4.100 . 0 0 "[ ]" 1
550 1 7 G H1 1 16 C H41 3.888 3.788 3.988 3.872 3.872 3.872 . 0 0 "[ ]" 1
551 1 7 G H1 1 16 C H5 4.398 4.298 4.498 4.502 4.502 4.502 0.004 1 0 "[ ]" 1
552 1 15 C H1' 1 15 C H2' 2.805 2.705 2.905 2.811 2.811 2.811 . 0 0 "[ ]" 1
553 1 15 C H1' 1 15 C H3' 3.857 3.757 3.957 3.827 3.827 3.827 . 0 0 "[ ]" 1
554 1 15 C H1' 1 15 C H4' 3.398 3.298 3.498 3.301 3.301 3.301 . 0 0 "[ ]" 1
555 1 15 C H1' 1 15 C Q5' 4.578 4.478 4.678 4.241 4.241 4.241 0.237 1 0 "[ ]" 1
556 1 15 C H1' 1 15 C HO2' 2.989 2.889 3.089 2.985 2.985 2.985 . 0 0 "[ ]" 1
557 1 15 C H1' 1 15 C H6 3.520 3.420 3.620 3.526 3.526 3.526 . 0 0 "[ ]" 1
558 1 15 C H1' 1 16 C H5' 4.677 4.577 4.777 4.689 4.689 4.689 . 0 0 "[ ]" 1
559 1 15 C H1' 1 16 C H6 4.297 4.197 4.397 4.450 4.450 4.450 0.053 1 0 "[ ]" 1
560 1 15 C H1' 1 16 C H5 4.979 4.879 5.079 4.978 4.978 4.978 . 0 0 "[ ]" 1
561 1 15 C H2' 1 15 C H3' 2.425 2.325 2.525 2.413 2.413 2.413 . 0 0 "[ ]" 1
562 1 15 C H2' 1 15 C H4' 3.813 3.713 3.913 3.764 3.764 3.764 . 0 0 "[ ]" 1
563 1 15 C H2' 1 15 C HO2' 2.193 2.093 2.293 2.122 2.122 2.122 . 0 0 "[ ]" 1
564 1 15 C H2' 1 15 C H6 3.999 3.899 4.099 3.902 3.902 3.902 . 0 0 "[ ]" 1
565 1 15 C H2' 1 16 C H1' 4.193 4.093 4.293 4.311 4.311 4.311 0.018 1 0 "[ ]" 1
566 1 15 C H2' 1 16 C H3' 4.263 4.163 4.363 4.309 4.309 4.309 . 0 0 "[ ]" 1
567 1 15 C H2' 1 16 C H4' 4.442 4.342 4.542 4.566 4.566 4.566 0.024 1 0 "[ ]" 1
568 1 15 C H2' 1 16 C H5' 2.891 2.791 2.991 2.893 2.893 2.893 . 0 0 "[ ]" 1
569 1 15 C H2' 1 16 C H5'' 4.268 4.168 4.368 4.348 4.348 4.348 . 0 0 "[ ]" 1
570 1 15 C H2' 1 16 C H6 1.583 . 1.683 1.704 1.704 1.704 0.021 1 0 "[ ]" 1
571 1 15 C H2' 1 16 C H5 3.089 2.989 3.189 2.997 2.997 2.997 . 0 0 "[ ]" 1
572 1 15 C H3' 1 15 C H4' 3.008 2.908 3.108 3.017 3.017 3.017 . 0 0 "[ ]" 1
573 1 15 C H3' 1 15 C HO2' 3.994 3.894 4.094 3.911 3.911 3.911 . 0 0 "[ ]" 1
574 1 15 C H3' 1 15 C H6 2.988 2.888 3.088 2.868 2.868 2.868 0.020 1 0 "[ ]" 1
575 1 15 C H3' 1 15 C H5 4.768 4.668 4.868 4.688 4.688 4.688 . 0 0 "[ ]" 1
576 1 15 C H3' 1 16 C H5' 3.959 3.859 4.059 3.944 3.944 3.944 . 0 0 "[ ]" 1
577 1 15 C H3' 1 16 C H5'' 4.908 4.808 5.008 4.975 4.975 4.975 . 0 0 "[ ]" 1
578 1 15 C H3' 1 16 C H6 3.104 3.004 3.204 3.203 3.203 3.203 . 0 0 "[ ]" 1
579 1 15 C H3' 1 16 C H5 3.313 3.213 3.413 3.328 3.328 3.328 . 0 0 "[ ]" 1
580 1 15 C H4' 1 15 C Q5' . 2.435 2.471 2.151 2.151 2.151 0.284 1 0 "[ ]" 1
581 1 15 C H4' 1 15 C HO2' 3.778 3.678 3.878 3.669 3.669 3.669 0.009 1 0 "[ ]" 1
582 1 15 C H4' 1 15 C H6 4.052 3.952 4.152 4.087 4.087 4.087 . 0 0 "[ ]" 1
583 1 15 C H4' 1 16 C H5' 4.167 4.067 4.267 4.111 4.111 4.111 . 0 0 "[ ]" 1
584 1 15 C H5' 1 15 C H5'' 1.776 . 1.876 1.773 1.773 1.773 . 0 0 "[ ]" 1
585 1 15 C HO2' 1 16 C H1' 4.151 4.051 4.251 4.172 4.172 4.172 . 0 0 "[ ]" 1
586 1 15 C HO2' 1 16 C H3' 4.845 4.745 4.945 4.809 4.809 4.809 . 0 0 "[ ]" 1
587 1 15 C HO2' 1 16 C H4' 3.522 3.422 3.622 3.625 3.625 3.625 0.003 1 0 "[ ]" 1
588 1 15 C HO2' 1 16 C H5' 1.994 . 2.094 1.983 1.983 1.983 . 0 0 "[ ]" 1
589 1 15 C HO2' 1 16 C H5'' 3.738 3.638 3.838 3.731 3.731 3.731 . 0 0 "[ ]" 1
590 1 15 C HO2' 1 16 C H6 3.222 3.122 3.322 3.154 3.154 3.154 . 0 0 "[ ]" 1
591 1 15 C H41 1 15 C H42 1.785 . 1.885 1.752 1.752 1.752 . 0 0 "[ ]" 1
592 1 15 C H42 1 15 C H6 4.650 4.550 4.750 4.633 4.633 4.633 . 0 0 "[ ]" 1
593 1 15 C H42 1 15 C H5 2.425 2.325 2.525 2.414 2.414 2.414 . 0 0 "[ ]" 1
594 1 15 C H42 1 16 C H42 3.221 3.121 3.321 3.165 3.165 3.165 . 0 0 "[ ]" 1
595 1 15 C H42 1 16 C H41 4.125 4.025 4.225 4.018 4.018 4.018 0.007 1 0 "[ ]" 1
596 1 15 C H42 1 16 C H5 4.475 4.375 4.575 4.535 4.535 4.535 . 0 0 "[ ]" 1
597 1 15 C H41 1 15 C H5 3.708 3.608 3.808 3.671 3.671 3.671 . 0 0 "[ ]" 1
598 1 15 C H41 1 16 C H42 3.066 2.966 3.166 3.058 3.058 3.058 . 0 0 "[ ]" 1
599 1 15 C H41 1 16 C H41 3.264 3.164 3.364 3.218 3.218 3.218 . 0 0 "[ ]" 1
600 1 15 C H41 1 16 C H5 4.393 4.293 4.493 4.493 4.493 4.493 0.000 1 0 "[ ]" 1
601 1 15 C H5 1 15 C H6 2.457 2.357 2.557 2.445 2.445 2.445 . 0 0 "[ ]" 1
602 1 15 C H6 1 16 C H6 4.952 4.852 5.052 5.006 5.006 5.006 . 0 0 "[ ]" 1
603 1 15 C H6 1 16 C H5 4.001 3.901 4.101 3.973 3.973 3.973 . 0 0 "[ ]" 1
604 1 15 C H5 1 16 C H42 4.046 3.946 4.146 3.919 3.919 3.919 0.027 1 0 "[ ]" 1
605 1 15 C H5 1 16 C H5 3.994 3.894 4.094 3.989 3.989 3.989 . 0 0 "[ ]" 1
606 1 16 C H1' 1 16 C H2' 2.805 2.705 2.905 2.795 2.795 2.795 . 0 0 "[ ]" 1
607 1 16 C H1' 1 16 C H3' 3.857 3.757 3.957 3.850 3.850 3.850 . 0 0 "[ ]" 1
608 1 16 C H1' 1 16 C H4' 3.398 3.298 3.498 3.390 3.390 3.390 . 0 0 "[ ]" 1
609 1 16 C H1' 1 16 C H5' 4.577 4.477 4.677 4.531 4.531 4.531 . 0 0 "[ ]" 1
610 1 16 C H1' 1 16 C HO2' 2.989 2.889 3.089 3.003 3.003 3.003 . 0 0 "[ ]" 1
611 1 16 C H1' 1 16 C H6 3.520 3.420 3.620 3.538 3.538 3.538 . 0 0 "[ ]" 1
612 1 16 C H1' 1 17 C H5' 4.676 4.576 4.776 4.783 4.783 4.783 0.007 1 0 "[ ]" 1
613 1 16 C H1' 1 17 C H6 4.297 4.197 4.397 4.429 4.429 4.429 0.032 1 0 "[ ]" 1
614 1 16 C H1' 1 17 C H5 4.979 4.879 5.079 5.105 5.105 5.105 0.026 1 0 "[ ]" 1
615 1 16 C H2' 1 16 C H3' 2.425 2.325 2.525 2.407 2.407 2.407 . 0 0 "[ ]" 1
616 1 16 C H2' 1 16 C H4' 3.813 3.713 3.913 3.812 3.812 3.812 . 0 0 "[ ]" 1
617 1 16 C H2' 1 16 C HO2' 2.192 2.092 2.292 2.122 2.122 2.122 . 0 0 "[ ]" 1
618 1 16 C H2' 1 16 C H6 3.999 3.899 4.099 3.890 3.890 3.890 0.009 1 0 "[ ]" 1
619 1 16 C H2' 1 17 C H1' 4.193 4.093 4.293 4.128 4.128 4.128 . 0 0 "[ ]" 1
620 1 16 C H2' 1 17 C H3' 4.263 4.163 4.363 4.248 4.248 4.248 . 0 0 "[ ]" 1
621 1 16 C H2' 1 17 C H4' 4.441 4.341 4.541 4.440 4.440 4.440 . 0 0 "[ ]" 1
622 1 16 C H2' 1 17 C H5' 2.890 2.790 2.990 2.960 2.960 2.960 . 0 0 "[ ]" 1
623 1 16 C H2' 1 17 C H5'' 4.268 4.168 4.368 4.370 4.370 4.370 0.002 1 0 "[ ]" 1
624 1 16 C H2' 1 17 C H6 1.583 . 1.683 1.716 1.716 1.716 0.033 1 0 "[ ]" 1
625 1 16 C H2' 1 17 C H5 3.089 2.989 3.189 3.198 3.198 3.198 0.009 1 0 "[ ]" 1
626 1 16 C H3' 1 16 C H4' 3.007 2.907 3.107 3.007 3.007 3.007 . 0 0 "[ ]" 1
627 1 16 C H3' 1 16 C H5' 3.687 3.587 3.787 3.642 3.642 3.642 . 0 0 "[ ]" 1
628 1 16 C H3' 1 16 C H5'' 3.085 2.985 3.185 3.139 3.139 3.139 . 0 0 "[ ]" 1
629 1 16 C H3' 1 16 C HO2' 3.993 3.893 4.093 3.887 3.887 3.887 0.006 1 0 "[ ]" 1
630 1 16 C H3' 1 16 C H6 2.988 2.888 3.088 2.857 2.857 2.857 0.031 1 0 "[ ]" 1
631 1 16 C H3' 1 16 C H5 4.769 4.669 4.869 4.667 4.667 4.667 0.002 1 0 "[ ]" 1
632 1 16 C H3' 1 17 C H5' 3.958 3.858 4.058 3.963 3.963 3.963 . 0 0 "[ ]" 1
633 1 16 C H3' 1 17 C H5'' 4.908 4.808 5.008 4.988 4.988 4.988 . 0 0 "[ ]" 1
634 1 16 C H3' 1 17 C H6 3.104 3.004 3.204 3.080 3.080 3.080 . 0 0 "[ ]" 1
635 1 16 C H3' 1 17 C H5 3.313 3.213 3.413 3.376 3.376 3.376 . 0 0 "[ ]" 1
636 1 16 C H4' 1 16 C H5' 2.534 2.434 2.634 2.558 2.558 2.558 . 0 0 "[ ]" 1
637 1 16 C H4' 1 16 C H5'' 2.370 2.270 2.470 2.309 2.309 2.309 . 0 0 "[ ]" 1
638 1 16 C H4' 1 16 C HO2' 3.778 3.678 3.878 3.744 3.744 3.744 . 0 0 "[ ]" 1
639 1 16 C H4' 1 16 C H6 4.053 3.953 4.153 4.007 4.007 4.007 . 0 0 "[ ]" 1
640 1 16 C H4' 1 17 C H5' 4.167 4.067 4.267 4.250 4.250 4.250 . 0 0 "[ ]" 1
641 1 16 C H5' 1 16 C H5'' 1.776 . 1.876 1.774 1.774 1.774 . 0 0 "[ ]" 1
642 1 16 C H5' 1 16 C H6 3.241 3.141 3.341 3.138 3.138 3.138 0.003 1 0 "[ ]" 1
643 1 16 C H5'' 1 16 C H6 4.055 3.955 4.155 4.015 4.015 4.015 . 0 0 "[ ]" 1
644 1 16 C HO2' 1 17 C H1' 4.151 4.051 4.251 4.108 4.108 4.108 . 0 0 "[ ]" 1
645 1 16 C HO2' 1 17 C H3' 4.845 4.745 4.945 4.822 4.822 4.822 . 0 0 "[ ]" 1
646 1 16 C HO2' 1 17 C H4' 3.522 3.422 3.622 3.558 3.558 3.558 . 0 0 "[ ]" 1
647 1 16 C HO2' 1 17 C H5' 1.994 . 2.094 2.038 2.038 2.038 . 0 0 "[ ]" 1
648 1 16 C HO2' 1 17 C H5'' 3.738 3.638 3.838 3.776 3.776 3.776 . 0 0 "[ ]" 1
649 1 16 C HO2' 1 17 C H6 3.221 3.121 3.321 3.295 3.295 3.295 . 0 0 "[ ]" 1
650 1 16 C H41 1 16 C H42 1.784 . 1.884 1.748 1.748 1.748 . 0 0 "[ ]" 1
651 1 16 C H42 1 16 C H6 4.651 4.551 4.751 4.623 4.623 4.623 . 0 0 "[ ]" 1
652 1 16 C H42 1 16 C H5 2.426 2.326 2.526 2.413 2.413 2.413 . 0 0 "[ ]" 1
653 1 16 C H42 1 17 C H42 3.221 3.121 3.321 3.144 3.144 3.144 . 0 0 "[ ]" 1
654 1 16 C H42 1 17 C H41 4.124 4.024 4.224 3.992 3.992 3.992 0.032 1 0 "[ ]" 1
655 1 16 C H42 1 17 C H5 4.475 4.375 4.575 4.410 4.410 4.410 . 0 0 "[ ]" 1
656 1 16 C H41 1 16 C H5 3.708 3.608 3.808 3.673 3.673 3.673 . 0 0 "[ ]" 1
657 1 16 C H41 1 17 C H42 3.066 2.966 3.166 3.105 3.105 3.105 . 0 0 "[ ]" 1
658 1 16 C H41 1 17 C H41 3.264 3.164 3.364 3.228 3.228 3.228 . 0 0 "[ ]" 1
659 1 16 C H41 1 17 C H5 4.393 4.293 4.493 4.437 4.437 4.437 . 0 0 "[ ]" 1
660 1 16 C H5 1 16 C H6 2.457 2.357 2.557 2.436 2.436 2.436 . 0 0 "[ ]" 1
661 1 16 C H6 1 17 C H6 4.951 4.851 5.051 4.844 4.844 4.844 0.007 1 0 "[ ]" 1
662 1 16 C H6 1 17 C H5 4.001 3.901 4.101 3.945 3.945 3.945 . 0 0 "[ ]" 1
663 1 16 C H5 1 17 C H42 4.046 3.946 4.146 3.948 3.948 3.948 . 0 0 "[ ]" 1
664 1 16 C H5 1 17 C H5 3.995 3.895 4.095 3.875 3.875 3.875 0.020 1 0 "[ ]" 1
665 1 17 C H1' 1 17 C H2' 2.805 2.705 2.905 2.800 2.800 2.800 . 0 0 "[ ]" 1
666 1 17 C H1' 1 17 C H3' 3.857 3.757 3.957 3.836 3.836 3.836 . 0 0 "[ ]" 1
667 1 17 C H1' 1 17 C H4' 3.398 3.298 3.498 3.340 3.340 3.340 . 0 0 "[ ]" 1
668 1 17 C H1' 1 17 C H5' 4.577 4.477 4.677 4.553 4.553 4.553 . 0 0 "[ ]" 1
669 1 17 C H1' 1 17 C HO2' 2.989 2.889 3.089 2.939 2.939 2.939 . 0 0 "[ ]" 1
670 1 17 C H1' 1 17 C H6 3.521 3.421 3.621 3.532 3.532 3.532 . 0 0 "[ ]" 1
671 1 17 C H1' 1 18 U H5' 4.677 4.577 4.777 4.575 4.575 4.575 0.002 1 0 "[ ]" 1
672 1 17 C H1' 1 18 U H6 4.282 4.182 4.382 4.420 4.420 4.420 0.038 1 0 "[ ]" 1
673 1 17 C H1' 1 18 U H5 4.941 4.841 5.041 5.058 5.058 5.058 0.017 1 0 "[ ]" 1
674 1 17 C H2' 1 17 C H3' 2.425 2.325 2.525 2.411 2.411 2.411 . 0 0 "[ ]" 1
675 1 17 C H2' 1 17 C H4' 3.813 3.713 3.913 3.774 3.774 3.774 . 0 0 "[ ]" 1
676 1 17 C H2' 1 17 C HO2' 2.193 2.093 2.293 2.125 2.125 2.125 . 0 0 "[ ]" 1
677 1 17 C H2' 1 17 C H6 4.000 3.900 4.100 3.899 3.899 3.899 0.001 1 0 "[ ]" 1
678 1 17 C H2' 1 18 U H1' 4.192 4.092 4.292 4.271 4.271 4.271 . 0 0 "[ ]" 1
679 1 17 C H2' 1 18 U H3' 4.263 4.163 4.363 4.260 4.260 4.260 . 0 0 "[ ]" 1
680 1 17 C H2' 1 18 U H4' 4.441 4.341 4.541 4.479 4.479 4.479 . 0 0 "[ ]" 1
681 1 17 C H2' 1 18 U H5' 2.891 2.791 2.991 2.825 2.825 2.825 . 0 0 "[ ]" 1
682 1 17 C H2' 1 18 U H5'' 4.268 4.168 4.368 4.271 4.271 4.271 . 0 0 "[ ]" 1
683 1 17 C H2' 1 18 U H6 1.566 . 1.666 1.701 1.701 1.701 0.035 1 0 "[ ]" 1
684 1 17 C H2' 1 18 U H5 3.030 2.930 3.130 3.049 3.049 3.049 . 0 0 "[ ]" 1
685 1 17 C H3' 1 17 C H4' 3.007 2.907 3.107 3.015 3.015 3.015 . 0 0 "[ ]" 1
686 1 17 C H3' 1 17 C H5' 3.686 3.586 3.786 3.692 3.692 3.692 . 0 0 "[ ]" 1
687 1 17 C H3' 1 17 C H5'' 3.085 2.985 3.185 3.150 3.150 3.150 . 0 0 "[ ]" 1
688 1 17 C H3' 1 17 C HO2' 3.993 3.893 4.093 3.926 3.926 3.926 . 0 0 "[ ]" 1
689 1 17 C H3' 1 17 C H6 2.989 2.889 3.089 2.854 2.854 2.854 0.035 1 0 "[ ]" 1
690 1 17 C H3' 1 17 C H5 4.769 4.669 4.869 4.645 4.645 4.645 0.024 1 0 "[ ]" 1
691 1 17 C H3' 1 18 U H5' 3.958 3.858 4.058 3.917 3.917 3.917 . 0 0 "[ ]" 1
692 1 17 C H3' 1 18 U H5'' 4.907 4.807 5.007 4.956 4.956 4.956 . 0 0 "[ ]" 1
693 1 17 C H3' 1 18 U H6 3.100 3.000 3.200 3.216 3.216 3.216 0.016 1 0 "[ ]" 1
694 1 17 C H3' 1 18 U H5 3.248 3.148 3.348 3.350 3.350 3.350 0.002 1 0 "[ ]" 1
695 1 17 C H4' 1 17 C H5' 2.534 2.434 2.634 2.529 2.529 2.529 . 0 0 "[ ]" 1
696 1 17 C H4' 1 17 C H5'' 2.370 2.270 2.470 2.330 2.330 2.330 . 0 0 "[ ]" 1
697 1 17 C H4' 1 17 C HO2' 3.778 3.678 3.878 3.690 3.690 3.690 . 0 0 "[ ]" 1
698 1 17 C H4' 1 17 C H6 4.053 3.953 4.153 4.055 4.055 4.055 . 0 0 "[ ]" 1
699 1 17 C H4' 1 18 U H5' 4.167 4.067 4.267 4.059 4.059 4.059 0.008 1 0 "[ ]" 1
700 1 17 C H5' 1 17 C H5'' 1.776 . 1.876 1.774 1.774 1.774 . 0 0 "[ ]" 1
701 1 17 C H5' 1 17 C H6 3.241 3.141 3.341 3.332 3.332 3.332 . 0 0 "[ ]" 1
702 1 17 C H5'' 1 17 C H6 4.056 3.956 4.156 4.126 4.126 4.126 . 0 0 "[ ]" 1
703 1 17 C HO2' 1 18 U H1' 4.151 4.051 4.251 4.124 4.124 4.124 . 0 0 "[ ]" 1
704 1 17 C HO2' 1 18 U H3' 4.845 4.745 4.945 4.755 4.755 4.755 . 0 0 "[ ]" 1
705 1 17 C HO2' 1 18 U H4' 3.521 3.421 3.621 3.509 3.509 3.509 . 0 0 "[ ]" 1
706 1 17 C HO2' 1 18 U H5' 1.994 . 2.094 1.913 1.913 1.913 . 0 0 "[ ]" 1
707 1 17 C HO2' 1 18 U H5'' 3.738 3.638 3.838 3.652 3.652 3.652 . 0 0 "[ ]" 1
708 1 17 C HO2' 1 18 U H6 3.200 3.100 3.300 3.186 3.186 3.186 . 0 0 "[ ]" 1
709 1 17 C H41 1 17 C H42 1.784 . 1.884 1.753 1.753 1.753 . 0 0 "[ ]" 1
710 1 17 C H42 1 17 C H6 4.650 4.550 4.750 4.635 4.635 4.635 . 0 0 "[ ]" 1
711 1 17 C H42 1 17 C H5 2.425 2.325 2.525 2.427 2.427 2.427 . 0 0 "[ ]" 1
712 1 17 C H42 1 18 U H5 4.531 4.431 4.631 4.518 4.518 4.518 . 0 0 "[ ]" 1
713 1 17 C H41 1 17 C H5 3.708 3.608 3.808 3.676 3.676 3.676 . 0 0 "[ ]" 1
714 1 17 C H41 1 18 U H3 4.568 4.468 4.668 4.546 4.546 4.546 . 0 0 "[ ]" 1
715 1 17 C H41 1 18 U H5 4.454 4.354 4.554 4.447 4.447 4.447 . 0 0 "[ ]" 1
716 1 17 C H5 1 17 C H6 2.456 2.356 2.556 2.436 2.436 2.436 . 0 0 "[ ]" 1
717 1 17 C H6 1 18 U H6 4.950 4.850 5.050 4.991 4.991 4.991 . 0 0 "[ ]" 1
718 1 17 C H6 1 18 U H5 3.980 3.880 4.080 4.063 4.063 4.063 . 0 0 "[ ]" 1
719 1 17 C H5 1 18 U H5 4.017 3.917 4.117 4.052 4.052 4.052 . 0 0 "[ ]" 1
720 1 18 U H1' 1 18 U H2' 2.805 2.705 2.905 2.800 2.800 2.800 . 0 0 "[ ]" 1
721 1 18 U H1' 1 18 U H3' 3.857 3.757 3.957 3.854 3.854 3.854 . 0 0 "[ ]" 1
722 1 18 U H1' 1 18 U H4' 3.397 3.297 3.497 3.395 3.395 3.395 . 0 0 "[ ]" 1
723 1 18 U H1' 1 18 U H5' 4.576 4.476 4.676 4.545 4.545 4.545 . 0 0 "[ ]" 1
724 1 18 U H1' 1 18 U HO2' 2.990 2.890 3.090 2.993 2.993 2.993 . 0 0 "[ ]" 1
725 1 18 U H1' 1 18 U H3 4.622 4.522 4.722 4.573 4.573 4.573 . 0 0 "[ ]" 1
726 1 18 U H1' 1 18 U H6 3.514 3.414 3.614 3.546 3.546 3.546 . 0 0 "[ ]" 1
727 1 18 U H1' 1 19 G H5' 4.677 4.577 4.777 4.647 4.647 4.647 . 0 0 "[ ]" 1
728 1 18 U H1' 1 19 G H8 4.320 4.220 4.420 4.426 4.426 4.426 0.006 1 0 "[ ]" 1
729 1 18 U H2' 1 18 U H3' 2.425 2.325 2.525 2.410 2.410 2.410 . 0 0 "[ ]" 1
730 1 18 U H2' 1 18 U H4' 3.813 3.713 3.913 3.804 3.804 3.804 . 0 0 "[ ]" 1
731 1 18 U H2' 1 18 U HO2' 2.193 2.093 2.293 2.123 2.123 2.123 . 0 0 "[ ]" 1
732 1 18 U H2' 1 18 U H3 4.540 4.440 4.640 4.572 4.572 4.572 . 0 0 "[ ]" 1
733 1 18 U H2' 1 18 U H6 4.005 3.905 4.105 3.901 3.901 3.901 0.004 1 0 "[ ]" 1
734 1 18 U H2' 1 19 G H1' 4.192 4.092 4.292 4.143 4.143 4.143 . 0 0 "[ ]" 1
735 1 18 U H2' 1 19 G H3' 4.263 4.163 4.363 4.224 4.224 4.224 . 0 0 "[ ]" 1
736 1 18 U H2' 1 19 G H4' 4.442 4.342 4.542 4.382 4.382 4.382 . 0 0 "[ ]" 1
737 1 18 U H2' 1 19 G H5' 2.891 2.791 2.991 2.831 2.831 2.831 . 0 0 "[ ]" 1
738 1 18 U H2' 1 19 G H5'' 4.268 4.168 4.368 4.295 4.295 4.295 . 0 0 "[ ]" 1
739 1 18 U H2' 1 19 G H8 1.673 . 1.773 1.789 1.789 1.789 0.016 1 0 "[ ]" 1
740 1 18 U H3' 1 18 U H4' 3.007 2.907 3.107 3.008 3.008 3.008 . 0 0 "[ ]" 1
741 1 18 U H3' 1 18 U H5' 3.686 3.586 3.786 3.656 3.656 3.656 . 0 0 "[ ]" 1
742 1 18 U H3' 1 18 U H5'' 3.085 2.985 3.185 3.141 3.141 3.141 . 0 0 "[ ]" 1
743 1 18 U H3' 1 18 U HO2' 3.993 3.893 4.093 3.896 3.896 3.896 . 0 0 "[ ]" 1
744 1 18 U H3' 1 18 U H6 2.992 2.892 3.092 2.853 2.853 2.853 0.039 1 0 "[ ]" 1
745 1 18 U H3' 1 18 U H5 4.723 4.623 4.823 4.624 4.624 4.624 . 0 0 "[ ]" 1
746 1 18 U H3' 1 19 G H5' 3.958 3.858 4.058 3.862 3.862 3.862 . 0 0 "[ ]" 1
747 1 18 U H3' 1 19 G H5'' 4.908 4.808 5.008 4.940 4.940 4.940 . 0 0 "[ ]" 1
748 1 18 U H3' 1 19 G H8 3.024 2.924 3.124 3.052 3.052 3.052 . 0 0 "[ ]" 1
749 1 18 U H4' 1 18 U H5' 2.533 2.433 2.633 2.553 2.553 2.553 . 0 0 "[ ]" 1
750 1 18 U H4' 1 18 U H5'' 2.370 2.270 2.470 2.314 2.314 2.314 . 0 0 "[ ]" 1
751 1 18 U H4' 1 18 U HO2' 3.778 3.678 3.878 3.729 3.729 3.729 . 0 0 "[ ]" 1
752 1 18 U H4' 1 18 U H6 4.039 3.939 4.139 4.013 4.013 4.013 . 0 0 "[ ]" 1
753 1 18 U H4' 1 19 G H5' 4.167 4.067 4.267 4.124 4.124 4.124 . 0 0 "[ ]" 1
754 1 18 U H5' 1 18 U H5'' 1.776 . 1.876 1.775 1.775 1.775 . 0 0 "[ ]" 1
755 1 18 U H5' 1 18 U H6 3.223 3.123 3.323 3.168 3.168 3.168 . 0 0 "[ ]" 1
756 1 18 U H5'' 1 18 U H6 4.044 3.944 4.144 4.023 4.023 4.023 . 0 0 "[ ]" 1
757 1 18 U HO2' 1 19 G H1' 4.151 4.051 4.251 4.124 4.124 4.124 . 0 0 "[ ]" 1
758 1 18 U HO2' 1 19 G H3' 4.845 4.745 4.945 4.789 4.789 4.789 . 0 0 "[ ]" 1
759 1 18 U HO2' 1 19 G H4' 3.521 3.421 3.621 3.481 3.481 3.481 . 0 0 "[ ]" 1
760 1 18 U HO2' 1 19 G H5' 1.995 . 2.095 1.936 1.936 1.936 . 0 0 "[ ]" 1
761 1 18 U HO2' 1 19 G H5'' 3.738 3.638 3.838 3.667 3.667 3.667 . 0 0 "[ ]" 1
762 1 18 U HO2' 1 19 G H8 3.488 3.388 3.588 3.527 3.527 3.527 . 0 0 "[ ]" 1
763 1 18 U H3 1 18 U H6 4.817 4.717 4.917 4.773 4.773 4.773 . 0 0 "[ ]" 1
764 1 18 U H3 1 18 U H5 4.231 4.131 4.331 4.202 4.202 4.202 . 0 0 "[ ]" 1
765 1 18 U H3 1 19 G H8 4.402 4.302 4.502 4.503 4.503 4.503 0.001 1 0 "[ ]" 1
766 1 18 U H5 1 18 U H6 2.416 2.316 2.516 2.401 2.401 2.401 . 0 0 "[ ]" 1
767 1 18 U H6 1 19 G H8 4.761 4.661 4.861 4.673 4.673 4.673 . 0 0 "[ ]" 1
768 1 19 G H1' 1 19 G H2' 2.805 2.705 2.905 2.805 2.805 2.805 . 0 0 "[ ]" 1
769 1 19 G H1' 1 19 G H3' 3.857 3.757 3.957 3.838 3.838 3.838 . 0 0 "[ ]" 1
770 1 19 G H1' 1 19 G H4' 3.398 3.298 3.498 3.324 3.324 3.324 . 0 0 "[ ]" 1
771 1 19 G H1' 1 19 G H5' 4.577 4.477 4.677 4.537 4.537 4.537 . 0 0 "[ ]" 1
772 1 19 G H1' 1 19 G HO2' 2.990 2.890 3.090 2.977 2.977 2.977 . 0 0 "[ ]" 1
773 1 19 G H1' 1 19 G H22 4.775 4.675 4.875 4.743 4.743 4.743 . 0 0 "[ ]" 1
774 1 19 G H1' 1 19 G H8 3.727 3.627 3.827 3.690 3.690 3.690 . 0 0 "[ ]" 1
775 1 19 G H1' 1 20 C H5' 4.678 4.578 4.778 4.667 4.667 4.667 . 0 0 "[ ]" 1
776 1 19 G H1' 1 20 C H6 4.297 4.197 4.397 4.417 4.417 4.417 0.020 1 0 "[ ]" 1
777 1 19 G H1' 1 20 C H5 4.979 4.879 5.079 5.082 5.082 5.082 0.003 1 0 "[ ]" 1
778 1 19 G H2' 1 19 G H3' 2.425 2.325 2.525 2.415 2.415 2.415 . 0 0 "[ ]" 1
779 1 19 G H2' 1 19 G H4' 3.813 3.713 3.913 3.774 3.774 3.774 . 0 0 "[ ]" 1
780 1 19 G H2' 1 19 G HO2' 2.193 2.093 2.293 2.123 2.123 2.123 . 0 0 "[ ]" 1
781 1 19 G H2' 1 19 G H22 4.702 4.602 4.802 4.735 4.735 4.735 . 0 0 "[ ]" 1
782 1 19 G H2' 1 19 G H8 4.149 4.049 4.249 4.045 4.045 4.045 0.004 1 0 "[ ]" 1
783 1 19 G H2' 1 20 C H1' 4.193 4.093 4.293 4.213 4.213 4.213 . 0 0 "[ ]" 1
784 1 19 G H2' 1 20 C H3' 4.263 4.163 4.363 4.221 4.221 4.221 . 0 0 "[ ]" 1
785 1 19 G H2' 1 20 C H4' 4.441 4.341 4.541 4.411 4.411 4.411 . 0 0 "[ ]" 1
786 1 19 G H2' 1 20 C H5' 2.892 2.792 2.992 2.849 2.849 2.849 . 0 0 "[ ]" 1
787 1 19 G H2' 1 20 C H5'' 4.268 4.168 4.368 4.251 4.251 4.251 . 0 0 "[ ]" 1
788 1 19 G H2' 1 20 C H6 1.583 . 1.683 1.714 1.714 1.714 0.031 1 0 "[ ]" 1
789 1 19 G H2' 1 20 C H5 3.089 2.989 3.189 3.191 3.191 3.191 0.002 1 0 "[ ]" 1
790 1 19 G H3' 1 19 G H4' 3.008 2.908 3.108 3.014 3.014 3.014 . 0 0 "[ ]" 1
791 1 19 G H3' 1 19 G H5' 3.686 3.586 3.786 3.667 3.667 3.667 . 0 0 "[ ]" 1
792 1 19 G H3' 1 19 G H5'' 3.085 2.985 3.185 3.170 3.170 3.170 . 0 0 "[ ]" 1
793 1 19 G H3' 1 19 G HO2' 3.994 3.894 4.094 3.909 3.909 3.909 . 0 0 "[ ]" 1
794 1 19 G H3' 1 19 G H8 3.196 3.096 3.296 3.079 3.079 3.079 0.017 1 0 "[ ]" 1
795 1 19 G H3' 1 20 C H5' 3.959 3.859 4.059 3.978 3.978 3.978 . 0 0 "[ ]" 1
796 1 19 G H3' 1 20 C H5'' 4.908 4.808 5.008 4.961 4.961 4.961 . 0 0 "[ ]" 1
797 1 19 G H3' 1 20 C H6 3.104 3.004 3.204 3.149 3.149 3.149 . 0 0 "[ ]" 1
798 1 19 G H3' 1 20 C H5 3.313 3.213 3.413 3.386 3.386 3.386 . 0 0 "[ ]" 1
799 1 19 G H4' 1 19 G H5' 2.534 2.434 2.634 2.550 2.550 2.550 . 0 0 "[ ]" 1
800 1 19 G H4' 1 19 G H5'' 2.370 2.270 2.470 2.317 2.317 2.317 . 0 0 "[ ]" 1
801 1 19 G H4' 1 19 G HO2' 3.779 3.679 3.879 3.680 3.680 3.680 . 0 0 "[ ]" 1
802 1 19 G H4' 1 19 G H8 4.410 4.310 4.510 4.365 4.365 4.365 . 0 0 "[ ]" 1
803 1 19 G H4' 1 20 C H5' 4.167 4.067 4.267 4.207 4.207 4.207 . 0 0 "[ ]" 1
804 1 19 G H5' 1 19 G H5'' 1.775 . 1.875 1.775 1.775 1.775 . 0 0 "[ ]" 1
805 1 19 G H5' 1 19 G H8 3.564 3.464 3.664 3.568 3.568 3.568 . 0 0 "[ ]" 1
806 1 19 G H5'' 1 19 G H8 4.368 4.268 4.468 4.440 4.440 4.440 . 0 0 "[ ]" 1
807 1 19 G H22 1 19 G HO2' 4.795 4.695 4.895 4.817 4.817 4.817 . 0 0 "[ ]" 1
808 1 19 G HO2' 1 20 C H1' 4.150 4.050 4.250 4.232 4.232 4.232 . 0 0 "[ ]" 1
809 1 19 G HO2' 1 20 C H3' 4.844 4.744 4.944 4.822 4.822 4.822 . 0 0 "[ ]" 1
810 1 19 G HO2' 1 20 C H4' 3.521 3.421 3.621 3.556 3.556 3.556 . 0 0 "[ ]" 1
811 1 19 G HO2' 1 20 C H5' 1.995 . 2.095 1.926 1.926 1.926 . 0 0 "[ ]" 1
812 1 19 G HO2' 1 20 C H5'' 3.738 3.638 3.838 3.680 3.680 3.680 . 0 0 "[ ]" 1
813 1 19 G HO2' 1 20 C H6 3.221 3.121 3.321 3.308 3.308 3.308 . 0 0 "[ ]" 1
814 1 19 G H21 1 19 G H22 1.784 . 1.884 1.753 1.753 1.753 . 0 0 "[ ]" 1
815 1 19 G H1 1 19 G H22 3.480 3.380 3.580 3.459 3.459 3.459 . 0 0 "[ ]" 1
816 1 19 G H22 1 20 C H1' 3.255 3.155 3.355 3.313 3.313 3.313 . 0 0 "[ ]" 1
817 1 19 G H22 1 20 C H6 4.826 4.726 4.926 4.949 4.949 4.949 0.023 1 0 "[ ]" 1
818 1 19 G H1 1 19 G H21 2.169 2.069 2.269 2.191 2.191 2.191 . 0 0 "[ ]" 1
819 1 19 G H21 1 20 C H1' 4.205 4.105 4.305 4.168 4.168 4.168 . 0 0 "[ ]" 1
820 1 19 G H8 1 20 C H5 3.899 3.799 3.999 3.846 3.846 3.846 . 0 0 "[ ]" 1
821 1 19 G H1 1 20 C H42 4.353 4.253 4.453 4.438 4.438 4.438 . 0 0 "[ ]" 1
822 1 19 G H1 1 20 C H41 3.748 3.648 3.848 3.785 3.785 3.785 . 0 0 "[ ]" 1
823 1 19 G H1 1 20 C H5 4.950 4.850 5.050 5.037 5.037 5.037 . 0 0 "[ ]" 1
824 1 20 C H1' 1 20 C H2' 2.805 2.705 2.905 2.803 2.803 2.803 . 0 0 "[ ]" 1
825 1 20 C H1' 1 20 C H3' 3.857 3.757 3.957 3.845 3.845 3.845 . 0 0 "[ ]" 1
826 1 20 C H1' 1 20 C H4' 3.397 3.297 3.497 3.354 3.354 3.354 . 0 0 "[ ]" 1
827 1 20 C H1' 1 20 C H5' 4.578 4.478 4.678 4.554 4.554 4.554 . 0 0 "[ ]" 1
828 1 20 C H1' 1 20 C HO2' 2.989 2.889 3.089 2.964 2.964 2.964 . 0 0 "[ ]" 1
829 1 20 C H1' 1 20 C H6 3.521 3.421 3.621 3.535 3.535 3.535 . 0 0 "[ ]" 1
830 1 20 C H1' 1 21 C H5' 4.677 4.577 4.777 4.745 4.745 4.745 . 0 0 "[ ]" 1
831 1 20 C H1' 1 21 C H6 4.298 4.198 4.398 4.446 4.446 4.446 0.048 1 0 "[ ]" 1
832 1 20 C H1' 1 21 C H5 4.980 4.880 5.080 5.079 5.079 5.079 . 0 0 "[ ]" 1
833 1 20 C H2' 1 20 C H3' 2.425 2.325 2.525 2.408 2.408 2.408 . 0 0 "[ ]" 1
834 1 20 C H2' 1 20 C H4' 3.813 3.713 3.913 3.792 3.792 3.792 . 0 0 "[ ]" 1
835 1 20 C H2' 1 20 C HO2' 2.193 2.093 2.293 2.120 2.120 2.120 . 0 0 "[ ]" 1
836 1 20 C H2' 1 20 C H6 3.999 3.899 4.099 3.887 3.887 3.887 0.012 1 0 "[ ]" 1
837 1 20 C H2' 1 21 C H1' 4.192 4.092 4.292 4.220 4.220 4.220 . 0 0 "[ ]" 1
838 1 20 C H2' 1 21 C H3' 4.263 4.163 4.363 4.331 4.331 4.331 . 0 0 "[ ]" 1
839 1 20 C H2' 1 21 C H4' 4.442 4.342 4.542 4.492 4.492 4.492 . 0 0 "[ ]" 1
840 1 20 C H2' 1 21 C H5' 2.892 2.792 2.992 2.998 2.998 2.998 0.006 1 0 "[ ]" 1
841 1 20 C H2' 1 21 C H5'' 4.269 4.169 4.369 4.345 4.345 4.345 . 0 0 "[ ]" 1
842 1 20 C H2' 1 21 C H6 1.582 . 1.682 1.717 1.717 1.717 0.035 1 0 "[ ]" 1
843 1 20 C H2' 1 21 C H5 3.089 2.989 3.189 3.096 3.096 3.096 . 0 0 "[ ]" 1
844 1 20 C H3' 1 20 C H4' 3.007 2.907 3.107 3.011 3.011 3.011 . 0 0 "[ ]" 1
845 1 20 C H3' 1 20 C H5' 3.687 3.587 3.787 3.680 3.680 3.680 . 0 0 "[ ]" 1
846 1 20 C H3' 1 20 C H5'' 3.085 2.985 3.185 3.119 3.119 3.119 . 0 0 "[ ]" 1
847 1 20 C H3' 1 20 C HO2' 3.993 3.893 4.093 3.907 3.907 3.907 . 0 0 "[ ]" 1
848 1 20 C H3' 1 20 C H6 2.988 2.888 3.088 2.860 2.860 2.860 0.028 1 0 "[ ]" 1
849 1 20 C H3' 1 20 C H5 4.769 4.669 4.869 4.665 4.665 4.665 0.004 1 0 "[ ]" 1
850 1 20 C H3' 1 21 C H5' 3.958 3.858 4.058 4.063 4.063 4.063 0.005 1 0 "[ ]" 1
851 1 20 C H3' 1 21 C H5'' 4.908 4.808 5.008 5.017 5.017 5.017 0.009 1 0 "[ ]" 1
852 1 20 C H3' 1 21 C H6 3.104 3.004 3.204 3.179 3.179 3.179 . 0 0 "[ ]" 1
853 1 20 C H3' 1 21 C H5 3.313 3.213 3.413 3.358 3.358 3.358 . 0 0 "[ ]" 1
854 1 20 C H4' 1 20 C H5' 2.533 2.433 2.633 2.530 2.530 2.530 . 0 0 "[ ]" 1
855 1 20 C H4' 1 20 C H5'' 2.370 2.270 2.470 2.332 2.332 2.332 . 0 0 "[ ]" 1
856 1 20 C H4' 1 20 C HO2' 3.778 3.678 3.878 3.721 3.721 3.721 . 0 0 "[ ]" 1
857 1 20 C H4' 1 20 C H6 4.052 3.952 4.152 4.040 4.040 4.040 . 0 0 "[ ]" 1
858 1 20 C H4' 1 21 C H5' 4.167 4.067 4.267 4.226 4.226 4.226 . 0 0 "[ ]" 1
859 1 20 C H5' 1 20 C H5'' 1.775 . 1.875 1.775 1.775 1.775 . 0 0 "[ ]" 1
860 1 20 C H5' 1 20 C H6 3.242 3.142 3.342 3.290 3.290 3.290 . 0 0 "[ ]" 1
861 1 20 C H5'' 1 20 C H6 4.055 3.955 4.155 4.079 4.079 4.079 . 0 0 "[ ]" 1
862 1 20 C HO2' 1 21 C H1' 4.151 4.051 4.251 4.107 4.107 4.107 . 0 0 "[ ]" 1
863 1 20 C HO2' 1 21 C H3' 4.844 4.744 4.944 4.795 4.795 4.795 . 0 0 "[ ]" 1
864 1 20 C HO2' 1 21 C H4' 3.521 3.421 3.621 3.520 3.520 3.520 . 0 0 "[ ]" 1
865 1 20 C HO2' 1 21 C H5' 1.995 . 2.095 2.011 2.011 2.011 . 0 0 "[ ]" 1
866 1 20 C HO2' 1 21 C H5'' 3.738 3.638 3.838 3.749 3.749 3.749 . 0 0 "[ ]" 1
867 1 20 C HO2' 1 21 C H6 3.222 3.122 3.322 3.209 3.209 3.209 . 0 0 "[ ]" 1
868 1 20 C H41 1 20 C H42 1.784 . 1.884 1.744 1.744 1.744 . 0 0 "[ ]" 1
869 1 20 C H42 1 20 C H6 4.650 4.550 4.750 4.642 4.642 4.642 . 0 0 "[ ]" 1
870 1 20 C H42 1 20 C H5 2.425 2.325 2.525 2.433 2.433 2.433 . 0 0 "[ ]" 1
871 1 20 C H42 1 21 C H42 3.221 3.121 3.321 3.221 3.221 3.221 . 0 0 "[ ]" 1
872 1 20 C H42 1 21 C H41 4.124 4.024 4.224 4.004 4.004 4.004 0.020 1 0 "[ ]" 1
873 1 20 C H42 1 21 C H5 4.475 4.375 4.575 4.540 4.540 4.540 . 0 0 "[ ]" 1
874 1 20 C H41 1 20 C H5 3.708 3.608 3.808 3.673 3.673 3.673 . 0 0 "[ ]" 1
875 1 20 C H41 1 21 C H42 3.065 2.965 3.165 3.142 3.142 3.142 . 0 0 "[ ]" 1
876 1 20 C H41 1 21 C H41 3.264 3.164 3.364 3.218 3.218 3.218 . 0 0 "[ ]" 1
877 1 20 C H41 1 21 C H5 4.393 4.293 4.493 4.509 4.509 4.509 0.016 1 0 "[ ]" 1
878 1 20 C H5 1 20 C H6 2.457 2.357 2.557 2.436 2.436 2.436 . 0 0 "[ ]" 1
879 1 20 C H6 1 21 C H6 4.952 4.852 5.052 4.958 4.958 4.958 . 0 0 "[ ]" 1
880 1 20 C H6 1 21 C H5 4.001 3.901 4.101 4.008 4.008 4.008 . 0 0 "[ ]" 1
881 1 20 C H5 1 21 C H42 4.046 3.946 4.146 3.969 3.969 3.969 . 0 0 "[ ]" 1
882 1 20 C H5 1 21 C H5 3.994 3.894 4.094 3.984 3.984 3.984 . 0 0 "[ ]" 1
883 1 21 C H1' 1 21 C H2' 2.805 2.705 2.905 2.817 2.817 2.817 . 0 0 "[ ]" 1
884 1 21 C H1' 1 21 C H3' 3.857 3.757 3.957 3.870 3.870 3.870 . 0 0 "[ ]" 1
885 1 21 C H1' 1 21 C H4' 3.398 3.298 3.498 3.360 3.360 3.360 . 0 0 "[ ]" 1
886 1 21 C H1' 1 21 C H5' 4.578 4.478 4.678 4.567 4.567 4.567 . 0 0 "[ ]" 1
887 1 21 C H1' 1 21 C HO2' 2.989 2.889 3.089 2.882 2.882 2.882 0.007 1 0 "[ ]" 1
888 1 21 C H1' 1 21 C H6 3.520 3.420 3.620 3.540 3.540 3.540 . 0 0 "[ ]" 1
889 1 21 C H2' 1 21 C H3' 2.425 2.325 2.525 2.401 2.401 2.401 . 0 0 "[ ]" 1
890 1 21 C H2' 1 21 C H4' 3.813 3.713 3.913 3.822 3.822 3.822 . 0 0 "[ ]" 1
891 1 21 C H2' 1 21 C HO2' 2.193 2.093 2.293 2.140 2.140 2.140 . 0 0 "[ ]" 1
892 1 21 C H2' 1 21 C H6 3.999 3.899 4.099 3.875 3.875 3.875 0.024 1 0 "[ ]" 1
893 1 21 C H3' 1 21 C H4' 3.007 2.907 3.107 3.005 3.005 3.005 . 0 0 "[ ]" 1
894 1 21 C H3' 1 21 C H5' 3.686 3.586 3.786 3.689 3.689 3.689 . 0 0 "[ ]" 1
895 1 21 C H3' 1 21 C H5'' 3.085 2.985 3.185 3.037 3.037 3.037 . 0 0 "[ ]" 1
896 1 21 C H3' 1 21 C HO2' 3.994 3.894 4.094 3.940 3.940 3.940 . 0 0 "[ ]" 1
897 1 21 C H3' 1 21 C H6 2.988 2.888 3.088 2.914 2.914 2.914 . 0 0 "[ ]" 1
898 1 21 C H3' 1 21 C H5 4.769 4.669 4.869 4.744 4.744 4.744 . 0 0 "[ ]" 1
899 1 21 C H4' 1 21 C H5' 2.534 2.434 2.634 2.502 2.502 2.502 . 0 0 "[ ]" 1
900 1 21 C H4' 1 21 C H5'' 2.370 2.270 2.470 2.356 2.356 2.356 . 0 0 "[ ]" 1
901 1 21 C H4' 1 21 C HO2' 3.779 3.679 3.879 3.796 3.796 3.796 . 0 0 "[ ]" 1
902 1 21 C H4' 1 21 C H6 4.052 3.952 4.152 4.035 4.035 4.035 . 0 0 "[ ]" 1
903 1 21 C H5' 1 21 C H5'' 1.775 . 1.875 1.775 1.775 1.775 . 0 0 "[ ]" 1
904 1 21 C H5' 1 21 C H6 3.241 3.141 3.341 3.306 3.306 3.306 . 0 0 "[ ]" 1
905 1 21 C H5'' 1 21 C H6 4.055 3.955 4.155 4.026 4.026 4.026 . 0 0 "[ ]" 1
906 1 21 C H41 1 21 C H42 1.784 . 1.884 1.748 1.748 1.748 . 0 0 "[ ]" 1
907 1 21 C H42 1 21 C H6 4.650 4.550 4.750 4.632 4.632 4.632 . 0 0 "[ ]" 1
908 1 21 C H42 1 21 C H5 2.425 2.325 2.525 2.419 2.419 2.419 . 0 0 "[ ]" 1
909 1 21 C H41 1 21 C H5 3.708 3.608 3.808 3.670 3.670 3.670 . 0 0 "[ ]" 1
910 1 21 C H5 1 21 C H6 2.457 2.357 2.557 2.438 2.438 2.438 . 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 20
_Distance_constraint_stats_list.Viol_count 3
_Distance_constraint_stats_list.Viol_total 0.036
_Distance_constraint_stats_list.Viol_max 0.033
_Distance_constraint_stats_list.Viol_rms 0.0074
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0018
_Distance_constraint_stats_list.Viol_average_violations_only 0.0121
_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 0.002 0.002 1 0 "[ ]"
1 2 G 0.000 0.000 . 0 "[ ]"
1 3 C 0.002 0.002 1 0 "[ ]"
1 4 A 0.033 0.033 1 0 "[ ]"
1 5 G 0.000 0.000 . 0 "[ ]"
1 6 G 0.000 0.000 . 0 "[ ]"
1 7 G 0.000 0.000 . 0 "[ ]"
1 15 C 0.000 0.000 . 0 "[ ]"
1 16 C 0.000 0.000 . 0 "[ ]"
1 17 C 0.000 0.000 . 0 "[ ]"
1 18 U 0.033 0.033 1 0 "[ ]"
1 19 G 0.002 0.002 1 0 "[ ]"
1 20 C 0.000 0.000 . 0 "[ ]"
1 21 C 0.002 0.002 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 1 G O6 1 21 C H41 1.900 . 2.000 1.798 1.798 1.798 0.002 1 0 "[ ]" 2
2 1 1 G H1 1 21 C N3 1.940 . 2.040 1.870 1.870 1.870 . 0 0 "[ ]" 2
3 1 1 G H21 1 21 C O2 1.900 . 2.000 1.854 1.854 1.854 . 0 0 "[ ]" 2
4 1 2 G O6 1 20 C H41 1.900 . 2.000 1.813 1.813 1.813 . 0 0 "[ ]" 2
5 1 2 G H1 1 20 C N3 1.940 . 2.040 1.863 1.863 1.863 . 0 0 "[ ]" 2
6 1 2 G H21 1 20 C O2 1.900 . 2.000 1.880 1.880 1.880 . 0 0 "[ ]" 2
7 1 3 C H41 1 19 G O6 1.900 . 2.000 1.798 1.798 1.798 0.002 1 0 "[ ]" 2
8 1 3 C N3 1 19 G H1 1.940 . 2.040 1.869 1.869 1.869 . 0 0 "[ ]" 2
9 1 3 C O2 1 19 G H21 1.900 . 2.000 1.887 1.887 1.887 . 0 0 "[ ]" 2
10 1 4 A H61 1 18 U O4 1.940 . 2.040 1.807 1.807 1.807 0.033 1 0 "[ ]" 2
11 1 4 A N1 1 18 U H3 1.810 . 1.910 1.849 1.849 1.849 . 0 0 "[ ]" 2
12 1 5 G O6 1 17 C H41 1.900 . 2.000 1.808 1.808 1.808 . 0 0 "[ ]" 2
13 1 5 G H1 1 17 C N3 1.940 . 2.040 1.893 1.893 1.893 . 0 0 "[ ]" 2
14 1 5 G H21 1 17 C O2 1.900 . 2.000 1.923 1.923 1.923 . 0 0 "[ ]" 2
15 1 6 G O6 1 16 C H41 1.900 . 2.000 1.811 1.811 1.811 . 0 0 "[ ]" 2
16 1 6 G H1 1 16 C N3 1.940 . 2.040 1.855 1.855 1.855 . 0 0 "[ ]" 2
17 1 6 G H21 1 16 C O2 1.900 . 2.000 1.854 1.854 1.854 . 0 0 "[ ]" 2
18 1 7 G O6 1 15 C H41 1.900 . 2.000 1.802 1.802 1.802 . 0 0 "[ ]" 2
19 1 7 G H1 1 15 C N3 1.940 . 2.040 1.896 1.896 1.896 . 0 0 "[ ]" 2
20 1 7 G H21 1 15 C O2 1.900 . 2.000 1.908 1.908 1.908 . 0 0 "[ ]" 2
stop_
save_
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