NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
383641 |
1k2g   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1k2g
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 348
_Distance_constraint_stats_list.Viol_count 36
_Distance_constraint_stats_list.Viol_total 17.340
_Distance_constraint_stats_list.Viol_max 1.540
_Distance_constraint_stats_list.Viol_rms 0.2034
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0498
_Distance_constraint_stats_list.Viol_average_violations_only 0.4817
_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 C 0.910 0.744 1 1 [+]
1 2 A 0.691 0.534 1 1 [+]
1 3 G 1.006 0.849 1 1 [+]
1 4 A 1.969 0.988 1 1 [+]
1 5 C 4.009 1.540 1 1 [+]
1 6 U 1.184 0.715 1 1 [+]
1 7 U 0.577 0.577 1 1 [+]
1 8 C 1.358 0.715 1 1 [+]
1 9 G 1.243 0.702 1 1 [+]
1 10 G 3.039 1.540 1 1 [+]
1 11 U 2.088 1.260 1 1 [+]
1 12 C 1.816 1.260 1 1 [+]
1 13 G 0.571 0.556 1 1 [+]
1 14 C 1.536 1.478 1 1 [+]
1 15 A 1.576 1.478 1 1 [+]
1 16 G 0.208 0.113 1 0 "[ ]"
1 17 A 0.896 0.801 1 1 [+]
1 18 G 0.376 0.263 1 0 "[ ]"
1 19 A 0.682 0.374 1 0 "[ ]"
1 20 U 0.000 0.000 . 0 "[ ]"
1 21 G 0.161 0.150 1 0 "[ ]"
1 22 G 1.015 0.877 1 1 [+]
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 C H1' 1 1 C H6 4.500 . 6.000 3.730 3.730 3.730 . 0 0 "[ ]" 1
2 1 1 C H1' 1 2 A H8 5.000 . 7.000 5.094 5.094 5.094 . 0 0 "[ ]" 1
3 1 1 C H1' 1 13 G H1 5.000 . 7.000 4.567 4.567 4.567 . 0 0 "[ ]" 1
4 1 1 C H3' 1 1 C H6 4.500 . 6.000 4.116 4.116 4.116 . 0 0 "[ ]" 1
5 1 1 C H4' 1 1 C H6 5.000 . 7.000 4.151 4.151 4.151 . 0 0 "[ ]" 1
6 1 1 C H41 1 13 G H1 2.400 . 3.000 3.011 3.011 3.011 0.011 1 0 "[ ]" 1
7 1 1 C H41 1 21 G H1 4.500 . 6.000 3.118 3.118 3.118 . 0 0 "[ ]" 1
8 1 1 C H41 1 22 G H1 5.000 . 7.000 4.825 4.825 4.825 . 0 0 "[ ]" 1
9 1 1 C H42 1 21 G H1 4.500 . 6.000 3.849 3.849 3.849 . 0 0 "[ ]" 1
10 1 1 C H42 1 22 G H8 4.500 . 6.000 4.659 4.659 4.659 . 0 0 "[ ]" 1
11 1 1 C H5 1 21 G H1' 5.000 . 7.000 5.718 5.718 5.718 . 0 0 "[ ]" 1
12 1 1 C H5 1 21 G HO2' 5.000 . 7.000 5.651 5.651 5.651 . 0 0 "[ ]" 1
13 1 1 C H6 1 1 C HO2' 3.000 . 4.000 4.744 4.744 4.744 0.744 1 1 [+] 1
14 1 1 C H6 1 21 G H3' 5.000 . 7.000 5.161 5.161 5.161 . 0 0 "[ ]" 1
15 1 1 C H6 1 21 G HO2' 4.500 . 6.000 6.150 6.150 6.150 0.150 1 0 "[ ]" 1
16 1 1 C H6 1 22 G H1' 4.500 . 6.000 4.211 4.211 4.211 . 0 0 "[ ]" 1
17 1 1 C H6 1 22 G H4' 4.500 . 6.000 4.680 4.680 4.680 . 0 0 "[ ]" 1
18 1 1 C H6 1 22 G H8 5.000 . 7.000 4.503 4.503 4.503 . 0 0 "[ ]" 1
19 1 1 C HO2' 1 22 G H1' 3.000 . 4.000 3.717 3.717 3.717 . 0 0 "[ ]" 1
20 1 1 C N3 1 13 G N1 2.900 2.600 3.200 2.808 2.808 2.808 . 0 0 "[ ]" 1
21 1 1 C N4 1 13 G O6 2.900 2.600 3.200 3.192 3.192 3.192 . 0 0 "[ ]" 1
22 1 1 C O2 1 13 G N2 2.900 2.600 3.200 2.596 2.596 2.596 0.004 1 0 "[ ]" 1
23 1 2 A H1' 1 2 A H8 4.500 . 6.000 3.628 3.628 3.628 . 0 0 "[ ]" 1
24 1 2 A H1' 1 3 G H8 4.500 . 6.000 5.855 5.855 5.855 . 0 0 "[ ]" 1
25 1 2 A H1' 1 22 G HO2' 5.000 . 7.000 3.699 3.699 3.699 . 0 0 "[ ]" 1
26 1 2 A H3' 1 3 G H8 3.000 . 4.000 4.019 4.019 4.019 0.019 1 0 "[ ]" 1
27 1 2 A H4' 1 2 A H8 4.500 . 6.000 4.288 4.288 4.288 . 0 0 "[ ]" 1
28 1 2 A H4' 1 3 G H8 4.000 . 5.000 2.356 2.356 2.356 . 0 0 "[ ]" 1
29 1 2 A H8 1 2 A HO2' 4.000 . 5.000 5.534 5.534 5.534 0.534 1 1 [+] 1
30 1 2 A H8 1 3 G H8 5.000 . 7.000 6.359 6.359 6.359 . 0 0 "[ ]" 1
31 1 2 A HO2' 1 3 G H8 4.500 . 6.000 6.138 6.138 6.138 0.138 1 0 "[ ]" 1
32 1 3 G H1 1 4 A H1' 4.500 . 6.000 5.588 5.588 5.588 . 0 0 "[ ]" 1
33 1 3 G H1 1 4 A H2 4.500 . 6.000 5.360 5.360 5.360 . 0 0 "[ ]" 1
34 1 3 G H1 1 4 A H61 4.000 . 5.000 4.089 4.089 4.089 . 0 0 "[ ]" 1
35 1 3 G H1 1 11 U H3 4.500 . 6.000 5.275 5.275 5.275 . 0 0 "[ ]" 1
36 1 3 G H1 1 12 C H41 2.400 . 3.000 2.787 2.787 2.787 . 0 0 "[ ]" 1
37 1 3 G H1 1 12 C HO2' 5.000 . 7.000 5.850 5.850 5.850 . 0 0 "[ ]" 1
38 1 3 G H1 1 13 G H1' 5.000 . 7.000 4.426 4.426 4.426 . 0 0 "[ ]" 1
39 1 3 G H1 1 13 G H8 5.000 . 7.000 4.651 4.651 4.651 . 0 0 "[ ]" 1
40 1 3 G H1 1 22 G H1 5.000 . 7.000 4.236 4.236 4.236 . 0 0 "[ ]" 1
41 1 3 G H1' 1 3 G H8 4.500 . 6.000 3.507 3.507 3.507 . 0 0 "[ ]" 1
42 1 3 G H21 1 4 A H1' 4.500 . 6.000 3.801 3.801 3.801 . 0 0 "[ ]" 1
43 1 3 G H21 1 13 G H1' 4.000 . 5.000 3.924 3.924 3.924 . 0 0 "[ ]" 1
44 1 3 G H3' 1 3 G H8 4.000 . 5.000 3.569 3.569 3.569 . 0 0 "[ ]" 1
45 1 3 G H3' 1 4 A H8 4.000 . 5.000 3.123 3.123 3.123 . 0 0 "[ ]" 1
46 1 3 G H5'' 1 3 G H8 4.000 . 5.000 4.113 4.113 4.113 . 0 0 "[ ]" 1
47 1 3 G H8 1 3 G HO2' 4.000 . 5.000 5.849 5.849 5.849 0.849 1 1 [+] 1
48 1 3 G HO2' 1 4 A H8 4.000 . 5.000 3.953 3.953 3.953 . 0 0 "[ ]" 1
49 1 3 G N1 1 12 C N3 2.900 2.600 3.200 2.732 2.732 2.732 . 0 0 "[ ]" 1
50 1 3 G N2 1 12 C O2 2.900 2.600 3.200 2.620 2.620 2.620 . 0 0 "[ ]" 1
51 1 3 G O6 1 12 C N4 2.900 2.600 3.200 2.743 2.743 2.743 . 0 0 "[ ]" 1
52 1 4 A H1' 1 4 A H2 5.000 . 7.000 4.784 4.784 4.784 . 0 0 "[ ]" 1
53 1 4 A H1' 1 4 A H8 4.500 . 6.000 3.717 3.717 3.717 . 0 0 "[ ]" 1
54 1 4 A H2 1 5 C H1' 3.000 . 4.000 3.068 3.068 3.068 . 0 0 "[ ]" 1
55 1 4 A H2 1 10 G H1 4.500 . 6.000 5.184 5.184 5.184 . 0 0 "[ ]" 1
56 1 4 A H2 1 10 G H21 5.000 . 7.000 4.873 4.873 4.873 . 0 0 "[ ]" 1
57 1 4 A H2 1 11 U H3 2.400 . 3.000 2.681 2.681 2.681 . 0 0 "[ ]" 1
58 1 4 A H2 1 12 C H1' 3.000 . 4.000 2.771 2.771 2.771 . 0 0 "[ ]" 1
59 1 4 A H3' 1 4 A H8 4.000 . 5.000 2.984 2.984 2.984 . 0 0 "[ ]" 1
60 1 4 A H3' 1 5 C H5 4.500 . 6.000 4.372 4.372 4.372 . 0 0 "[ ]" 1
61 1 4 A H3' 1 5 C H6 4.000 . 5.000 3.377 3.377 3.377 . 0 0 "[ ]" 1
62 1 4 A H4' 1 4 A H8 4.000 . 5.000 4.167 4.167 4.167 . 0 0 "[ ]" 1
63 1 4 A H5' 1 4 A H8 4.500 . 6.000 3.296 3.296 3.296 . 0 0 "[ ]" 1
64 1 4 A H5'' 1 4 A H8 4.500 . 6.000 3.926 3.926 3.926 . 0 0 "[ ]" 1
65 1 4 A H61 1 5 C H41 5.000 . 7.000 3.030 3.030 3.030 . 0 0 "[ ]" 1
66 1 4 A H61 1 5 C H42 5.000 . 7.000 3.458 3.458 3.458 . 0 0 "[ ]" 1
67 1 4 A H61 1 11 U H3 4.000 . 5.000 2.455 2.455 2.455 . 0 0 "[ ]" 1
68 1 4 A H61 1 12 C H5 4.500 . 6.000 4.702 4.702 4.702 . 0 0 "[ ]" 1
69 1 4 A H62 1 5 C H41 4.500 . 6.000 3.465 3.465 3.465 . 0 0 "[ ]" 1
70 1 4 A H62 1 5 C H42 5.000 . 7.000 2.973 2.973 2.973 . 0 0 "[ ]" 1
71 1 4 A H62 1 22 G H1 5.000 . 7.000 4.011 4.011 4.011 . 0 0 "[ ]" 1
72 1 4 A H8 1 5 C H5 5.000 . 7.000 4.521 4.521 4.521 . 0 0 "[ ]" 1
73 1 4 A H8 1 5 C H6 5.000 . 7.000 4.816 4.816 4.816 . 0 0 "[ ]" 1
74 1 4 A HO2' 1 5 C H1' 4.500 . 6.000 5.737 5.737 5.737 . 0 0 "[ ]" 1
75 1 4 A HO2' 1 5 C H5 4.500 . 6.000 6.988 6.988 6.988 0.988 1 1 [+] 1
76 1 4 A HO2' 1 5 C H6 3.000 . 4.000 4.980 4.980 4.980 0.980 1 1 [+] 1
77 1 4 A N1 1 11 U N3 2.900 2.600 3.200 2.603 2.603 2.603 . 0 0 "[ ]" 1
78 1 4 A N6 1 11 U O4 2.900 2.600 3.200 2.795 2.795 2.795 . 0 0 "[ ]" 1
79 1 5 C H1' 1 5 C H6 4.500 . 6.000 3.503 3.503 3.503 . 0 0 "[ ]" 1
80 1 5 C H1' 1 10 G H1 5.000 . 7.000 4.821 4.821 4.821 . 0 0 "[ ]" 1
81 1 5 C H1' 1 11 U H3 4.500 . 6.000 4.215 4.215 4.215 . 0 0 "[ ]" 1
82 1 5 C H3' 1 5 C H5 5.000 . 7.000 4.611 4.611 4.611 . 0 0 "[ ]" 1
83 1 5 C H3' 1 5 C H6 3.000 . 4.000 3.018 3.018 3.018 . 0 0 "[ ]" 1
84 1 5 C H3' 1 6 U H5 5.000 . 7.000 3.055 3.055 3.055 . 0 0 "[ ]" 1
85 1 5 C H3' 1 6 U H6 4.000 . 5.000 2.916 2.916 2.916 . 0 0 "[ ]" 1
86 1 5 C H4' 1 5 C H6 4.000 . 5.000 3.996 3.996 3.996 . 0 0 "[ ]" 1
87 1 5 C H41 1 6 U H3 5.000 . 7.000 2.950 2.950 2.950 . 0 0 "[ ]" 1
88 1 5 C H41 1 6 U H5 5.000 . 7.000 4.937 4.937 4.937 . 0 0 "[ ]" 1
89 1 5 C H41 1 10 G H1 2.400 . 3.000 3.031 3.031 3.031 0.031 1 0 "[ ]" 1
90 1 5 C H41 1 11 U H3 4.500 . 6.000 3.998 3.998 3.998 . 0 0 "[ ]" 1
91 1 5 C H42 1 6 U H3 5.000 . 7.000 3.880 3.880 3.880 . 0 0 "[ ]" 1
92 1 5 C H42 1 6 U H5 5.000 . 7.000 4.645 4.645 4.645 . 0 0 "[ ]" 1
93 1 5 C H42 1 11 U H3 4.500 . 6.000 4.789 4.789 4.789 . 0 0 "[ ]" 1
94 1 5 C H5 1 6 U H5 4.500 . 6.000 4.021 4.021 4.021 . 0 0 "[ ]" 1
95 1 5 C H5' 1 5 C H6 4.000 . 5.000 3.959 3.959 3.959 . 0 0 "[ ]" 1
96 1 5 C H5'' 1 5 C H6 4.000 . 5.000 2.326 2.326 2.326 . 0 0 "[ ]" 1
97 1 5 C H6 1 5 C HO2' 5.000 . 7.000 5.486 5.486 5.486 . 0 0 "[ ]" 1
98 1 5 C H6 1 6 U H5 4.500 . 6.000 4.217 4.217 4.217 . 0 0 "[ ]" 1
99 1 5 C H6 1 6 U H6 4.500 . 6.000 5.157 5.157 5.157 . 0 0 "[ ]" 1
100 1 5 C HO2' 1 6 U H1' 5.000 . 7.000 6.093 6.093 6.093 . 0 0 "[ ]" 1
101 1 5 C HO2' 1 6 U H5 5.000 . 7.000 6.037 6.037 6.037 . 0 0 "[ ]" 1
102 1 5 C HO2' 1 6 U H6 3.000 . 4.000 4.469 4.469 4.469 0.469 1 0 "[ ]" 1
103 1 5 C HO2' 1 10 G H1 4.000 . 5.000 6.540 6.540 6.540 1.540 1 1 [+] 1
104 1 5 C HO2' 1 10 G H21 4.500 . 6.000 5.276 5.276 5.276 . 0 0 "[ ]" 1
105 1 5 C N3 1 10 G N1 2.900 2.600 3.200 2.755 2.755 2.755 . 0 0 "[ ]" 1
106 1 5 C N4 1 10 G O6 2.900 2.600 3.200 2.701 2.701 2.701 . 0 0 "[ ]" 1
107 1 6 U H1' 1 6 U H3 3.600 . 5.200 4.537 4.537 4.537 . 0 0 "[ ]" 1
108 1 6 U H1' 1 9 G H1 4.000 . 5.000 3.623 3.623 3.623 . 0 0 "[ ]" 1
109 1 6 U H1' 1 10 G H1 5.000 . 7.000 3.478 3.478 3.478 . 0 0 "[ ]" 1
110 1 6 U H1' 1 10 G H21 5.000 . 7.000 3.178 3.178 3.178 . 0 0 "[ ]" 1
111 1 6 U H1' 1 10 G H22 5.000 . 7.000 3.442 3.442 3.442 . 0 0 "[ ]" 1
112 1 6 U H2' 1 7 U H1' 5.000 . 7.000 5.836 5.836 5.836 . 0 0 "[ ]" 1
113 1 6 U H2' 1 7 U H3' 4.500 . 6.000 4.367 4.367 4.367 . 0 0 "[ ]" 1
114 1 6 U H2' 1 7 U H5 5.000 . 7.000 5.027 5.027 5.027 . 0 0 "[ ]" 1
115 1 6 U H2' 1 7 U H6 4.000 . 5.000 4.327 4.327 4.327 . 0 0 "[ ]" 1
116 1 6 U H2' 1 7 U HO2' 4.000 . 5.000 4.549 4.549 4.549 . 0 0 "[ ]" 1
117 1 6 U H2' 1 8 C H5 5.000 . 7.000 3.191 3.191 3.191 . 0 0 "[ ]" 1
118 1 6 U H2' 1 8 C H6 4.500 . 6.000 4.361 4.361 4.361 . 0 0 "[ ]" 1
119 1 6 U H2' 1 9 G H1 4.000 . 5.000 4.015 4.015 4.015 . 0 0 "[ ]" 1
120 1 6 U H3 1 8 C H1' 5.000 . 7.000 5.117 5.117 5.117 . 0 0 "[ ]" 1
121 1 6 U H3 1 9 G H1 5.000 . 7.000 3.625 3.625 3.625 . 0 0 "[ ]" 1
122 1 6 U H3 1 10 G H1 5.000 . 7.000 3.741 3.741 3.741 . 0 0 "[ ]" 1
123 1 6 U H3' 1 6 U H6 3.000 . 4.000 2.309 2.309 2.309 . 0 0 "[ ]" 1
124 1 6 U H3' 1 8 C H41 4.000 . 5.000 3.017 3.017 3.017 . 0 0 "[ ]" 1
125 1 6 U H3' 1 8 C H42 4.500 . 6.000 2.823 2.823 2.823 . 0 0 "[ ]" 1
126 1 6 U H3' 1 8 C H5 4.500 . 6.000 4.409 4.409 4.409 . 0 0 "[ ]" 1
127 1 6 U H4' 1 6 U H6 4.500 . 6.000 3.899 3.899 3.899 . 0 0 "[ ]" 1
128 1 6 U H4' 1 7 U H5 4.000 . 5.000 2.479 2.479 2.479 . 0 0 "[ ]" 1
129 1 6 U H4' 1 7 U H6 4.000 . 5.000 3.920 3.920 3.920 . 0 0 "[ ]" 1
130 1 6 U H5 1 8 C H41 4.500 . 6.000 3.356 3.356 3.356 . 0 0 "[ ]" 1
131 1 6 U H5 1 8 C H42 5.000 . 7.000 4.848 4.848 4.848 . 0 0 "[ ]" 1
132 1 6 U H5' 1 6 U H6 4.500 . 6.000 3.378 3.378 3.378 . 0 0 "[ ]" 1
133 1 6 U H5' 1 7 U H5 4.500 . 6.000 4.396 4.396 4.396 . 0 0 "[ ]" 1
134 1 6 U H5'' 1 6 U H6 4.500 . 6.000 3.732 3.732 3.732 . 0 0 "[ ]" 1
135 1 6 U H5'' 1 7 U H5 4.500 . 6.000 3.602 3.602 3.602 . 0 0 "[ ]" 1
136 1 6 U H6 1 6 U HO2' 4.500 . 6.300 5.119 5.119 5.119 . 0 0 "[ ]" 1
137 1 6 U H6 1 8 C H41 4.500 . 6.000 3.339 3.339 3.339 . 0 0 "[ ]" 1
138 1 6 U H6 1 8 C H42 4.500 . 6.000 4.227 4.227 4.227 . 0 0 "[ ]" 1
139 1 6 U H6 1 10 G H1 5.000 . 7.000 4.630 4.630 4.630 . 0 0 "[ ]" 1
140 1 6 U HO2' 1 8 C H41 4.500 . 6.000 5.323 5.323 5.323 . 0 0 "[ ]" 1
141 1 6 U HO2' 1 8 C H42 4.500 . 6.000 5.112 5.112 5.112 . 0 0 "[ ]" 1
142 1 6 U HO2' 1 8 C H5 3.000 . 4.000 4.715 4.715 4.715 0.715 1 1 [+] 1
143 1 6 U HO2' 1 8 C H6 4.500 . 6.000 4.988 4.988 4.988 . 0 0 "[ ]" 1
144 1 6 U HO2' 1 9 G H1 4.000 . 5.000 3.771 3.771 3.771 . 0 0 "[ ]" 1
145 1 7 U H1' 1 7 U H6 4.000 . 5.000 3.668 3.668 3.668 . 0 0 "[ ]" 1
146 1 7 U H1' 1 8 C H5' 4.500 . 6.000 4.109 4.109 4.109 . 0 0 "[ ]" 1
147 1 7 U H3' 1 7 U H6 4.000 . 5.000 4.453 4.453 4.453 . 0 0 "[ ]" 1
148 1 7 U H3' 1 8 C H1' 4.500 . 6.000 5.587 5.587 5.587 . 0 0 "[ ]" 1
149 1 7 U H3' 1 8 C H5 3.000 . 4.000 2.526 2.526 2.526 . 0 0 "[ ]" 1
150 1 7 U H3' 1 8 C H5' 4.000 . 5.000 3.788 3.788 3.788 . 0 0 "[ ]" 1
151 1 7 U H3' 1 8 C H6 3.000 . 4.000 2.057 2.057 2.057 . 0 0 "[ ]" 1
152 1 7 U H3' 1 9 G H1 4.500 . 6.000 5.929 5.929 5.929 . 0 0 "[ ]" 1
153 1 7 U H4' 1 7 U H6 4.500 . 6.000 4.036 4.036 4.036 . 0 0 "[ ]" 1
154 1 7 U H5'' 1 7 U H6 4.500 . 6.000 3.964 3.964 3.964 . 0 0 "[ ]" 1
155 1 7 U H5'' 1 8 C H5 3.000 . 4.000 2.643 2.643 2.643 . 0 0 "[ ]" 1
156 1 7 U H5'' 1 8 C H6 4.500 . 6.000 3.930 3.930 3.930 . 0 0 "[ ]" 1
157 1 7 U H6 1 7 U HO2' 3.000 . 4.000 4.577 4.577 4.577 0.577 1 1 [+] 1
158 1 7 U HO2' 1 9 G H1 4.500 . 6.000 4.559 4.559 4.559 . 0 0 "[ ]" 1
159 1 8 C H1' 1 8 C H6 4.500 . 6.000 3.736 3.736 3.736 . 0 0 "[ ]" 1
160 1 8 C H1' 1 9 G H1 4.000 . 5.000 3.197 3.197 3.197 . 0 0 "[ ]" 1
161 1 8 C H3' 1 8 C H6 4.000 . 5.000 4.131 4.131 4.131 . 0 0 "[ ]" 1
162 1 8 C H4' 1 8 C H6 4.500 . 6.000 4.515 4.515 4.515 . 0 0 "[ ]" 1
163 1 8 C H4' 1 9 G H1' 4.500 . 6.000 4.429 4.429 4.429 . 0 0 "[ ]" 1
164 1 8 C H4' 1 9 G H5'' 3.000 . 4.000 2.194 2.194 2.194 . 0 0 "[ ]" 1
165 1 8 C H4' 1 9 G H8 4.500 . 6.000 5.138 5.138 5.138 . 0 0 "[ ]" 1
166 1 8 C H41 1 9 G H1 5.000 . 7.000 5.457 5.457 5.457 . 0 0 "[ ]" 1
167 1 8 C H5' 1 8 C H6 4.500 . 6.000 3.675 3.675 3.675 . 0 0 "[ ]" 1
168 1 8 C H5' 1 9 G H1 5.000 . 7.000 5.483 5.483 5.483 . 0 0 "[ ]" 1
169 1 8 C H5' 1 9 G H1' 5.000 . 7.000 4.789 4.789 4.789 . 0 0 "[ ]" 1
170 1 8 C H5' 1 9 G H8 4.500 . 6.000 4.474 4.474 4.474 . 0 0 "[ ]" 1
171 1 8 C H5'' 1 8 C H6 4.500 . 6.000 4.292 4.292 4.292 . 0 0 "[ ]" 1
172 1 8 C H5'' 1 9 G H1' 4.500 . 6.000 5.351 5.351 5.351 . 0 0 "[ ]" 1
173 1 8 C H5'' 1 9 G H5'' 4.500 . 6.000 4.531 4.531 4.531 . 0 0 "[ ]" 1
174 1 8 C H5'' 1 9 G H8 5.000 . 7.000 5.754 5.754 5.754 . 0 0 "[ ]" 1
175 1 8 C H6 1 8 C HO2' 3.000 . 4.000 4.643 4.643 4.643 0.643 1 1 [+] 1
176 1 8 C H6 1 9 G H1 4.500 . 6.000 4.832 4.832 4.832 . 0 0 "[ ]" 1
177 1 9 G H1 1 10 G H1 4.500 . 6.000 4.722 4.722 4.722 . 0 0 "[ ]" 1
178 1 9 G H1 1 10 G H1' 5.000 . 7.000 4.392 4.392 4.392 . 0 0 "[ ]" 1
179 1 9 G H1 1 10 G H21 5.000 . 7.000 5.691 5.691 5.691 . 0 0 "[ ]" 1
180 1 9 G H1 1 10 G H8 4.500 . 6.000 4.374 4.374 4.374 . 0 0 "[ ]" 1
181 1 9 G H1' 1 9 G H8 2.400 . 3.000 2.571 2.571 2.571 . 0 0 "[ ]" 1
182 1 9 G H3' 1 9 G H8 4.500 . 6.000 5.081 5.081 5.081 . 0 0 "[ ]" 1
183 1 9 G H3' 1 10 G H8 4.000 . 5.000 3.031 3.031 3.031 . 0 0 "[ ]" 1
184 1 9 G H8 1 9 G HO2' 4.000 . 5.000 5.541 5.541 5.541 0.541 1 1 [+] 1
185 1 9 G HO2' 1 10 G H8 4.000 . 5.000 5.702 5.702 5.702 0.702 1 1 [+] 1
186 1 10 G H1 1 11 U H1' 5.000 . 7.000 5.011 5.011 5.011 . 0 0 "[ ]" 1
187 1 10 G H1 1 11 U H3 4.000 . 5.000 3.113 3.113 3.113 . 0 0 "[ ]" 1
188 1 10 G H1' 1 10 G H22 5.000 . 7.000 5.017 5.017 5.017 . 0 0 "[ ]" 1
189 1 10 G H1' 1 10 G H8 3.000 . 4.000 3.571 3.571 3.571 . 0 0 "[ ]" 1
190 1 10 G H21 1 11 U H1' 5.000 . 7.000 3.326 3.326 3.326 . 0 0 "[ ]" 1
191 1 10 G H21 1 11 U H3 4.500 . 6.000 3.698 3.698 3.698 . 0 0 "[ ]" 1
192 1 10 G H22 1 11 U H1' 5.000 . 7.000 2.752 2.752 2.752 . 0 0 "[ ]" 1
193 1 10 G H3' 1 10 G H8 3.000 . 4.000 3.399 3.399 3.399 . 0 0 "[ ]" 1
194 1 10 G H3' 1 11 U H5 4.000 . 5.000 3.179 3.179 3.179 . 0 0 "[ ]" 1
195 1 10 G H3' 1 11 U H6 3.000 . 4.000 3.314 3.314 3.314 . 0 0 "[ ]" 1
196 1 10 G H5'' 1 10 G H8 3.000 . 4.000 2.550 2.550 2.550 . 0 0 "[ ]" 1
197 1 10 G H8 1 10 G HO2' 4.000 . 5.000 5.765 5.765 5.765 0.765 1 1 [+] 1
198 1 10 G H8 1 11 U H5 4.500 . 6.000 4.807 4.807 4.807 . 0 0 "[ ]" 1
199 1 10 G HO2' 1 11 U H5 4.500 . 6.000 5.693 5.693 5.693 . 0 0 "[ ]" 1
200 1 10 G HO2' 1 11 U H6 4.000 . 5.000 4.140 4.140 4.140 . 0 0 "[ ]" 1
201 1 11 U H1' 1 11 U H3 5.000 . 7.000 4.545 4.545 4.545 . 0 0 "[ ]" 1
202 1 11 U H1' 1 11 U H6 4.500 . 6.000 3.645 3.645 3.645 . 0 0 "[ ]" 1
203 1 11 U H3 1 11 U HO2' 4.500 . 6.000 6.828 6.828 6.828 0.828 1 1 [+] 1
204 1 11 U H3 1 12 C H41 4.500 . 6.000 5.314 5.314 5.314 . 0 0 "[ ]" 1
205 1 11 U H3 1 12 C H5 5.000 . 7.000 4.959 4.959 4.959 . 0 0 "[ ]" 1
206 1 11 U H3 1 12 C H6 4.500 . 6.000 4.851 4.851 4.851 . 0 0 "[ ]" 1
207 1 11 U H3' 1 11 U H6 3.000 . 4.000 2.436 2.436 2.436 . 0 0 "[ ]" 1
208 1 11 U H3' 1 12 C H5 5.000 . 7.000 4.779 4.779 4.779 . 0 0 "[ ]" 1
209 1 11 U H3' 1 12 C H6 4.000 . 5.000 3.746 3.746 3.746 . 0 0 "[ ]" 1
210 1 11 U H5 1 12 C H5 4.500 . 6.000 3.902 3.902 3.902 . 0 0 "[ ]" 1
211 1 11 U H5' 1 11 U H6 4.500 . 6.000 3.230 3.230 3.230 . 0 0 "[ ]" 1
212 1 11 U H5'' 1 11 U H6 4.000 . 5.000 3.689 3.689 3.689 . 0 0 "[ ]" 1
213 1 11 U H6 1 11 U HO2' 4.500 . 6.000 5.250 5.250 5.250 . 0 0 "[ ]" 1
214 1 11 U H6 1 12 C H5 5.000 . 7.000 4.904 4.904 4.904 . 0 0 "[ ]" 1
215 1 11 U HO2' 1 12 C H1' 4.500 . 6.000 5.714 5.714 5.714 . 0 0 "[ ]" 1
216 1 11 U HO2' 1 12 C H6 3.000 . 4.000 5.260 5.260 5.260 1.260 1 1 [+] 1
217 1 12 C H1' 1 12 C H6 4.500 . 6.000 3.578 3.578 3.578 . 0 0 "[ ]" 1
218 1 12 C H3' 1 12 C H6 4.000 . 5.000 2.715 2.715 2.715 . 0 0 "[ ]" 1
219 1 12 C H3' 1 13 G H8 3.000 . 4.000 2.313 2.313 2.313 . 0 0 "[ ]" 1
220 1 12 C H4' 1 12 C H6 4.000 . 5.000 3.921 3.921 3.921 . 0 0 "[ ]" 1
221 1 12 C H41 1 13 G H1 5.000 . 7.000 4.253 4.253 4.253 . 0 0 "[ ]" 1
222 1 12 C H41 1 22 G H1 4.500 . 6.000 2.457 2.457 2.457 . 0 0 "[ ]" 1
223 1 12 C H5' 1 12 C H6 4.500 . 6.000 3.773 3.773 3.773 . 0 0 "[ ]" 1
224 1 12 C H5'' 1 12 C H6 4.500 . 6.000 2.128 2.128 2.128 . 0 0 "[ ]" 1
225 1 12 C H6 1 12 C HO2' 5.000 . 7.000 5.265 5.265 5.265 . 0 0 "[ ]" 1
226 1 12 C HO2' 1 13 G H1' 4.500 . 6.000 5.797 5.797 5.797 . 0 0 "[ ]" 1
227 1 12 C HO2' 1 13 G H8 3.000 . 4.000 4.556 4.556 4.556 0.556 1 1 [+] 1
228 1 13 G H1 1 14 C H41 5.000 . 7.000 4.979 4.979 4.979 . 0 0 "[ ]" 1
229 1 13 G H1 1 21 G H1 5.000 . 7.000 3.746 3.746 3.746 . 0 0 "[ ]" 1
230 1 13 G H1 1 21 G H21 5.000 . 7.000 3.565 3.565 3.565 . 0 0 "[ ]" 1
231 1 13 G H1 1 22 G H1 5.000 . 7.000 3.999 3.999 3.999 . 0 0 "[ ]" 1
232 1 13 G H1' 1 13 G H8 4.000 . 5.000 3.662 3.662 3.662 . 0 0 "[ ]" 1
233 1 13 G H3' 1 13 G H8 4.000 . 5.000 3.168 3.168 3.168 . 0 0 "[ ]" 1
234 1 13 G H3' 1 14 C H5 4.500 . 6.000 3.663 3.663 3.663 . 0 0 "[ ]" 1
235 1 13 G H3' 1 14 C H6 4.000 . 5.000 3.196 3.196 3.196 . 0 0 "[ ]" 1
236 1 13 G H4' 1 13 G H8 4.000 . 5.000 4.351 4.351 4.351 . 0 0 "[ ]" 1
237 1 13 G H5' 1 13 G H8 4.000 . 5.000 3.709 3.709 3.709 . 0 0 "[ ]" 1
238 1 13 G H5'' 1 13 G H8 4.000 . 5.000 4.381 4.381 4.381 . 0 0 "[ ]" 1
239 1 13 G H8 1 13 G HO2' 4.500 . 6.000 5.712 5.712 5.712 . 0 0 "[ ]" 1
240 1 13 G H8 1 14 C H5 4.500 . 6.000 4.886 4.886 4.886 . 0 0 "[ ]" 1
241 1 13 G HO2' 1 14 C H1' 4.500 . 6.000 5.648 5.648 5.648 . 0 0 "[ ]" 1
242 1 13 G HO2' 1 14 C H5' 4.000 . 5.000 1.868 1.868 1.868 . 0 0 "[ ]" 1
243 1 13 G HO2' 1 14 C H6 4.000 . 5.000 4.463 4.463 4.463 . 0 0 "[ ]" 1
244 1 14 C H1' 1 14 C H6 4.500 . 6.000 3.673 3.673 3.673 . 0 0 "[ ]" 1
245 1 14 C H1' 1 21 G H1 5.000 . 7.000 4.884 4.884 4.884 . 0 0 "[ ]" 1
246 1 14 C H3' 1 14 C H5 4.500 . 6.000 4.192 4.192 4.192 . 0 0 "[ ]" 1
247 1 14 C H3' 1 14 C H6 3.000 . 4.000 2.259 2.259 2.259 . 0 0 "[ ]" 1
248 1 14 C H3' 1 15 A H8 4.000 . 5.000 3.098 3.098 3.098 . 0 0 "[ ]" 1
249 1 14 C H4' 1 14 C H6 5.000 . 7.000 3.941 3.941 3.941 . 0 0 "[ ]" 1
250 1 14 C H41 1 15 A H62 4.000 . 5.000 3.289 3.289 3.289 . 0 0 "[ ]" 1
251 1 14 C H41 1 21 G H1 2.400 . 3.000 2.603 2.603 2.603 . 0 0 "[ ]" 1
252 1 14 C H42 1 15 A H61 4.000 . 5.000 5.047 5.047 5.047 0.047 1 0 "[ ]" 1
253 1 14 C H42 1 15 A H62 4.500 . 6.000 3.582 3.582 3.582 . 0 0 "[ ]" 1
254 1 14 C H5 1 15 A H61 5.000 . 8.000 6.886 6.886 6.886 . 0 0 "[ ]" 1
255 1 14 C H5' 1 14 C H6 4.500 . 6.000 3.544 3.544 3.544 . 0 0 "[ ]" 1
256 1 14 C H5'' 1 14 C H6 4.500 . 6.000 3.766 3.766 3.766 . 0 0 "[ ]" 1
257 1 14 C H6 1 14 C HO2' 4.500 . 6.000 5.134 5.134 5.134 . 0 0 "[ ]" 1
258 1 14 C H6 1 15 A H8 5.000 . 7.000 3.657 3.657 3.657 . 0 0 "[ ]" 1
259 1 14 C HO2' 1 15 A H1' 4.000 . 5.000 3.785 3.785 3.785 . 0 0 "[ ]" 1
260 1 14 C HO2' 1 15 A H8 3.000 . 4.000 5.478 5.478 5.478 1.478 1 1 [+] 1
261 1 14 C HO2' 1 21 G H1 5.000 . 7.000 7.003 7.003 7.003 0.003 1 0 "[ ]" 1
262 1 14 C N3 1 21 G N1 2.900 2.600 3.200 2.671 2.671 2.671 . 0 0 "[ ]" 1
263 1 14 C N4 1 21 G O6 2.900 2.600 3.200 2.645 2.645 2.645 . 0 0 "[ ]" 1
264 1 14 C O2 1 21 G N2 2.900 2.600 3.200 2.592 2.592 2.592 0.008 1 0 "[ ]" 1
265 1 15 A H1' 1 15 A H8 4.500 . 6.000 3.633 3.633 3.633 . 0 0 "[ ]" 1
266 1 15 A H1' 1 21 G H1 5.000 . 7.000 5.097 5.097 5.097 . 0 0 "[ ]" 1
267 1 15 A H1' 1 21 G H21 4.500 . 6.000 4.253 4.253 4.253 . 0 0 "[ ]" 1
268 1 15 A H2 1 15 A HO2' 5.000 . 7.000 6.327 6.327 6.327 . 0 0 "[ ]" 1
269 1 15 A H2 1 16 G H1' 4.500 . 6.000 3.961 3.961 3.961 . 0 0 "[ ]" 1
270 1 15 A H2 1 16 G H8 5.000 . 7.000 4.708 4.708 4.708 . 0 0 "[ ]" 1
271 1 15 A H2 1 20 U H3 2.400 . 3.000 2.573 2.573 2.573 . 0 0 "[ ]" 1
272 1 15 A H2 1 21 G H1 4.500 . 6.000 5.383 5.383 5.383 . 0 0 "[ ]" 1
273 1 15 A H2 1 21 G H1' 4.500 . 6.000 3.600 3.600 3.600 . 0 0 "[ ]" 1
274 1 15 A H3' 1 15 A H8 3.000 . 4.000 3.275 3.275 3.275 . 0 0 "[ ]" 1
275 1 15 A H3' 1 16 G H8 4.500 . 6.000 2.711 2.711 2.711 . 0 0 "[ ]" 1
276 1 15 A H4' 1 15 A H8 5.000 . 7.000 4.271 4.271 4.271 . 0 0 "[ ]" 1
277 1 15 A H61 1 16 G H1 4.500 . 6.000 3.526 3.526 3.526 . 0 0 "[ ]" 1
278 1 15 A H61 1 20 U H3 4.000 . 5.000 2.907 2.907 2.907 . 0 0 "[ ]" 1
279 1 15 A H61 1 21 G H1 5.000 . 7.000 4.894 4.894 4.894 . 0 0 "[ ]" 1
280 1 15 A H62 1 16 G H1 4.500 . 6.000 4.380 4.380 4.380 . 0 0 "[ ]" 1
281 1 15 A H62 1 21 G H1 5.000 . 7.000 4.457 4.457 4.457 . 0 0 "[ ]" 1
282 1 15 A H8 1 15 A HO2' 4.500 . 6.000 5.717 5.717 5.717 . 0 0 "[ ]" 1
283 1 15 A H8 1 16 G H8 4.500 . 6.000 5.146 5.146 5.146 . 0 0 "[ ]" 1
284 1 15 A HO2' 1 16 G H1' 4.500 . 6.000 6.050 6.050 6.050 0.050 1 0 "[ ]" 1
285 1 15 A HO2' 1 16 G H8 4.000 . 5.000 3.777 3.777 3.777 . 0 0 "[ ]" 1
286 1 15 A N1 1 20 U N3 2.900 2.600 3.200 2.969 2.969 2.969 . 0 0 "[ ]" 1
287 1 15 A N6 1 20 U O4 2.900 2.600 3.200 2.902 2.902 2.902 . 0 0 "[ ]" 1
288 1 16 G H1 1 18 G H3' 4.000 . 5.000 4.015 4.015 4.015 . 0 0 "[ ]" 1
289 1 16 G H1 1 18 G H5'' 4.000 . 5.000 3.542 3.542 3.542 . 0 0 "[ ]" 1
290 1 16 G H1 1 18 G H8 4.500 . 6.000 5.807 5.807 5.807 . 0 0 "[ ]" 1
291 1 16 G H1 1 20 U H3 4.500 . 6.000 3.841 3.841 3.841 . 0 0 "[ ]" 1
292 1 16 G H1' 1 16 G H8 4.500 . 6.000 3.720 3.720 3.720 . 0 0 "[ ]" 1
293 1 16 G H1' 1 20 U H3 5.000 . 7.000 4.947 4.947 4.947 . 0 0 "[ ]" 1
294 1 16 G H22 1 18 G H8 5.000 . 7.000 4.655 4.655 4.655 . 0 0 "[ ]" 1
295 1 16 G H22 1 19 A H8 4.500 . 6.000 2.768 2.768 2.768 . 0 0 "[ ]" 1
296 1 16 G H22 1 20 U H6 5.000 . 7.000 4.005 4.005 4.005 . 0 0 "[ ]" 1
297 1 16 G H3' 1 16 G H8 3.000 . 4.000 2.895 2.895 2.895 . 0 0 "[ ]" 1
298 1 16 G H4' 1 16 G H8 4.500 . 6.000 4.144 4.144 4.144 . 0 0 "[ ]" 1
299 1 16 G H5' 1 16 G H8 4.500 . 6.000 3.302 3.302 3.302 . 0 0 "[ ]" 1
300 1 16 G H5'' 1 16 G H8 5.000 . 7.000 3.910 3.910 3.910 . 0 0 "[ ]" 1
301 1 16 G H8 1 16 G HO2' 4.500 . 6.000 5.543 5.543 5.543 . 0 0 "[ ]" 1
302 1 16 G HO2' 1 18 G H8 4.000 . 5.000 5.113 5.113 5.113 0.113 1 0 "[ ]" 1
303 1 16 G N2 1 19 A N7 2.900 2.600 3.200 2.585 2.585 2.585 0.015 1 0 "[ ]" 1
304 1 16 G N3 1 19 A N6 2.900 2.600 3.200 3.230 3.230 3.230 0.030 1 0 "[ ]" 1
305 1 17 A H1' 1 17 A H2 4.500 . 6.000 4.941 4.941 4.941 . 0 0 "[ ]" 1
306 1 17 A H1' 1 17 A H8 4.000 . 5.000 3.620 3.620 3.620 . 0 0 "[ ]" 1
307 1 17 A H2 1 17 A HO2' 4.500 . 6.000 6.095 6.095 6.095 0.095 1 0 "[ ]" 1
308 1 17 A H2 1 18 G H1' 3.000 . 4.000 2.569 2.569 2.569 . 0 0 "[ ]" 1
309 1 17 A H3' 1 17 A H8 4.000 . 5.000 3.293 3.293 3.293 . 0 0 "[ ]" 1
310 1 17 A H3' 1 18 G H8 3.000 . 4.000 2.393 2.393 2.393 . 0 0 "[ ]" 1
311 1 17 A H4' 1 17 A H8 4.500 . 6.000 4.308 4.308 4.308 . 0 0 "[ ]" 1
312 1 17 A H5' 1 17 A H8 4.000 . 5.000 3.545 3.545 3.545 . 0 0 "[ ]" 1
313 1 17 A H5'' 1 17 A H8 4.500 . 6.000 4.259 4.259 4.259 . 0 0 "[ ]" 1
314 1 17 A H8 1 17 A HO2' 4.000 . 5.000 5.801 5.801 5.801 0.801 1 1 [+] 1
315 1 17 A HO2' 1 18 G H1' 4.000 . 5.000 4.866 4.866 4.866 . 0 0 "[ ]" 1
316 1 17 A HO2' 1 18 G H8 3.000 . 4.000 3.769 3.769 3.769 . 0 0 "[ ]" 1
317 1 18 G H1' 1 18 G H8 4.500 . 6.000 3.680 3.680 3.680 . 0 0 "[ ]" 1
318 1 18 G H3' 1 18 G H8 4.000 . 5.000 3.134 3.134 3.134 . 0 0 "[ ]" 1
319 1 18 G H3' 1 19 A H8 4.000 . 5.000 2.339 2.339 2.339 . 0 0 "[ ]" 1
320 1 18 G H4' 1 18 G H8 4.000 2.800 5.000 4.255 4.255 4.255 . 0 0 "[ ]" 1
321 1 18 G H5' 1 18 G H8 4.500 . 6.000 3.586 3.586 3.586 . 0 0 "[ ]" 1
322 1 18 G H5'' 1 18 G H8 4.500 . 6.000 4.064 4.064 4.064 . 0 0 "[ ]" 1
323 1 18 G H8 1 18 G HO2' 4.500 . 6.000 5.673 5.673 5.673 . 0 0 "[ ]" 1
324 1 18 G HO2' 1 19 A H1' 4.500 . 6.000 6.263 6.263 6.263 0.263 1 0 "[ ]" 1
325 1 18 G HO2' 1 19 A H8 3.000 . 4.000 3.884 3.884 3.884 . 0 0 "[ ]" 1
326 1 19 A H1' 1 19 A H2 5.000 . 7.000 4.703 4.703 4.703 . 0 0 "[ ]" 1
327 1 19 A H1' 1 19 A H8 4.500 . 6.000 3.777 3.777 3.777 . 0 0 "[ ]" 1
328 1 19 A H3' 1 19 A H8 4.000 . 5.000 2.578 2.578 2.578 . 0 0 "[ ]" 1
329 1 19 A H3' 1 20 U H5 4.500 . 6.000 3.993 3.993 3.993 . 0 0 "[ ]" 1
330 1 19 A H3' 1 20 U H6 4.000 . 5.000 2.864 2.864 2.864 . 0 0 "[ ]" 1
331 1 19 A H4' 1 19 A H8 5.000 . 7.000 4.028 4.028 4.028 . 0 0 "[ ]" 1
332 1 19 A H5' 1 19 A H8 4.500 . 6.000 3.180 3.180 3.180 . 0 0 "[ ]" 1
333 1 19 A H5'' 1 19 A H8 4.500 . 6.000 3.661 3.661 3.661 . 0 0 "[ ]" 1
334 1 19 A H8 1 19 A HO2' 4.000 . 5.000 5.374 5.374 5.374 0.374 1 0 "[ ]" 1
335 1 19 A H8 1 20 U H6 4.500 . 6.000 4.697 4.697 4.697 . 0 0 "[ ]" 1
336 1 19 A HO2' 1 20 U H6 4.500 . 6.000 5.106 5.106 5.106 . 0 0 "[ ]" 1
337 1 20 U H3 1 21 G H1 5.000 . 7.000 5.949 5.949 5.949 . 0 0 "[ ]" 1
338 1 20 U H3 1 21 G H8 5.000 . 7.000 3.477 3.477 3.477 . 0 0 "[ ]" 1
339 1 20 U H6 1 21 G H8 5.000 . 7.000 4.515 4.515 4.515 . 0 0 "[ ]" 1
340 1 21 G H1' 1 21 G H8 4.500 . 6.000 3.536 3.536 3.536 . 0 0 "[ ]" 1
341 1 21 G H3' 1 21 G H8 4.000 . 5.000 3.512 3.512 3.512 . 0 0 "[ ]" 1
342 1 21 G H4' 1 21 G H8 4.000 . 5.000 4.405 4.405 4.405 . 0 0 "[ ]" 1
343 1 21 G H5' 1 21 G H8 4.500 . 6.000 4.511 4.511 4.511 . 0 0 "[ ]" 1
344 1 21 G H8 1 21 G HO2' 4.500 . 6.000 5.168 5.168 5.168 . 0 0 "[ ]" 1
345 1 22 G H1' 1 22 G H8 4.000 . 5.000 3.869 3.869 3.869 . 0 0 "[ ]" 1
346 1 22 G H3' 1 22 G H8 3.000 . 4.000 4.139 4.139 4.139 0.139 1 0 "[ ]" 1
347 1 22 G H4' 1 22 G H8 4.000 . 5.000 4.484 4.484 4.484 . 0 0 "[ ]" 1
348 1 22 G H8 1 22 G HO2' 3.000 . 4.000 4.877 4.877 4.877 0.877 1 1 [+] 1
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