NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
385436 |
1l1w   |
5321 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1l1w
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 375
_Distance_constraint_stats_list.Viol_count 21
_Distance_constraint_stats_list.Viol_total 0.805
_Distance_constraint_stats_list.Viol_max 0.146
_Distance_constraint_stats_list.Viol_rms 0.0118
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0383
_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 0.024 0.024 1 0 "[ ]"
1 2 G 0.024 0.024 1 0 "[ ]"
1 3 U 0.146 0.146 1 0 "[ ]"
1 4 G 0.032 0.017 1 0 "[ ]"
1 5 A 0.000 0.000 . 0 "[ ]"
1 6 C 0.000 0.000 . 0 "[ ]"
1 7 C 0.000 0.000 . 0 "[ ]"
1 8 U 0.000 0.000 . 0 "[ ]"
1 9 C 0.000 0.000 . 0 "[ ]"
1 10 C 0.000 0.000 . 0 "[ ]"
1 11 C 0.119 0.091 1 0 "[ ]"
1 12 G 0.181 0.091 1 0 "[ ]"
1 13 G 0.092 0.051 1 0 "[ ]"
1 14 G 0.054 0.036 1 0 "[ ]"
1 15 A 0.157 0.051 1 0 "[ ]"
1 16 G 0.156 0.068 1 0 "[ ]"
1 17 C 0.081 0.068 1 0 "[ ]"
1 18 G 0.000 0.000 . 0 "[ ]"
1 19 G 0.018 0.018 1 0 "[ ]"
1 20 G 0.000 0.000 . 0 "[ ]"
1 21 G 0.000 0.000 . 0 "[ ]"
1 22 G 0.016 0.016 1 0 "[ ]"
1 23 A 0.059 0.059 1 0 "[ ]"
1 24 C 0.059 0.059 1 0 "[ ]"
1 25 C 0.000 0.000 . 0 "[ ]"
1 26 A 0.082 0.064 1 0 "[ ]"
1 27 C 0.064 0.064 1 0 "[ ]"
1 28 C 0.000 0.000 . 0 "[ ]"
1 29 A 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 G H1 1 2 G H1 . . 6.000 3.890 3.890 3.890 . 0 0 "[ ]" 1
2 1 2 G H1 1 3 U H3 . . 6.000 3.497 3.497 3.497 . 0 0 "[ ]" 1
3 1 2 G H1 1 28 C H5 . . 6.000 4.788 4.788 4.788 . 0 0 "[ ]" 1
4 1 3 U H3 1 4 G H1 . . 6.000 4.774 4.774 4.774 . 0 0 "[ ]" 1
5 1 3 U H3 1 26 A H2 . . 4.000 3.251 3.251 3.251 . 0 0 "[ ]" 1
6 1 4 G H1 1 25 C H5 . . 6.000 5.321 5.321 5.321 . 0 0 "[ ]" 1
7 1 4 G H1 1 4 G H1' . . 6.000 6.015 6.015 6.015 0.015 1 0 "[ ]" 1
8 1 4 G H1 1 26 A H1' . . 6.000 4.394 4.394 4.394 . 0 0 "[ ]" 1
9 1 4 G H1 1 5 A H1' . . 6.000 4.927 4.927 4.927 . 0 0 "[ ]" 1
10 1 4 G H1 1 5 A H2 . . 6.000 4.563 4.563 4.563 . 0 0 "[ ]" 1
11 1 8 U H3 1 9 C H5 . . 6.000 4.069 4.069 4.069 . 0 0 "[ ]" 1
12 1 8 U H3 1 22 G H1 . . 6.000 3.400 3.400 3.400 . 0 0 "[ ]" 1
13 1 21 G H1 1 22 G H1 . . 6.000 3.779 3.779 3.779 . 0 0 "[ ]" 1
14 1 7 C H5 1 22 G H1 . . 6.000 5.305 5.305 5.305 . 0 0 "[ ]" 1
15 1 22 G H1 1 23 A H1' . . 6.000 4.994 4.994 4.994 . 0 0 "[ ]" 1
16 1 8 U H3 1 21 G H1 . . 4.000 1.848 1.848 1.848 . 0 0 "[ ]" 1
17 1 20 G H1 1 21 G H1 . . 6.000 4.106 4.106 4.106 . 0 0 "[ ]" 1
18 1 9 C H1' 1 21 G H1 . . 6.000 4.071 4.071 4.071 . 0 0 "[ ]" 1
19 1 21 G H1 1 22 G H1' . . 6.000 4.741 4.741 4.741 . 0 0 "[ ]" 1
20 1 8 U H3 1 20 G H1 . . 6.000 4.445 4.445 4.445 . 0 0 "[ ]" 1
21 1 19 G H1 1 20 G H1 . . 6.000 3.944 3.944 3.944 . 0 0 "[ ]" 1
22 1 10 C H1' 1 20 G H1 . . 6.000 4.373 4.373 4.373 . 0 0 "[ ]" 1
23 1 10 C H5 1 20 G H1 . . 6.000 4.743 4.743 4.743 . 0 0 "[ ]" 1
24 1 9 C H5 1 20 G H1 . . 6.000 5.247 5.247 5.247 . 0 0 "[ ]" 1
25 1 20 G H1 1 21 G H1' . . 6.000 4.966 4.966 4.966 . 0 0 "[ ]" 1
26 1 18 G H1 1 19 G H1 . . 6.000 4.051 4.051 4.051 . 0 0 "[ ]" 1
27 1 10 C H1' 1 19 G H1 . . 6.000 5.048 5.048 5.048 . 0 0 "[ ]" 1
28 1 19 G H1 1 20 G H1' . . 6.000 4.882 4.882 4.882 . 0 0 "[ ]" 1
29 1 11 C H1' 1 18 G H1 . . 6.000 4.799 4.799 4.799 . 0 0 "[ ]" 1
30 1 12 G H1' 1 18 G H1 . . 6.000 5.425 5.425 5.425 . 0 0 "[ ]" 1
31 1 13 G H22 1 16 G H8 . . 3.500 3.526 3.526 3.526 0.026 1 0 "[ ]" 1
32 1 13 G H22 1 15 A H1' . . 6.000 5.006 5.006 5.006 . 0 0 "[ ]" 1
33 1 13 G H22 1 17 C H6 . . 6.000 5.468 5.468 5.468 . 0 0 "[ ]" 1
34 1 13 G H22 1 15 A H8 . . 6.000 2.648 2.648 2.648 . 0 0 "[ ]" 1
35 1 18 G H1 1 19 G H1' . . 6.000 5.111 5.111 5.111 . 0 0 "[ ]" 1
36 1 17 C H5 1 17 C H6 3.000 . 3.000 2.400 2.400 2.400 . 0 0 "[ ]" 1
37 1 1 G H1' 1 1 G H8 7.000 . 7.000 3.832 3.832 3.832 . 0 0 "[ ]" 1
38 1 1 G H1' 1 2 G H8 7.000 . 7.000 4.837 4.837 4.837 . 0 0 "[ ]" 1
39 1 5 A H1' 1 5 A H8 5.000 . 5.000 3.775 3.775 3.775 . 0 0 "[ ]" 1
40 1 16 G H1' 1 16 G H8 4.000 . 4.000 3.845 3.845 3.845 . 0 0 "[ ]" 1
41 1 15 A H1' 1 15 A H8 4.000 . 4.000 3.721 3.721 3.721 . 0 0 "[ ]" 1
42 1 26 A H1' 1 26 A H8 5.000 . 5.000 3.532 3.532 3.532 . 0 0 "[ ]" 1
43 1 2 G H1' 1 2 G H8 7.000 . 7.000 3.742 3.742 3.742 . 0 0 "[ ]" 1
44 1 20 G H1' 1 20 G H8 4.000 . 4.000 3.769 3.769 3.769 . 0 0 "[ ]" 1
45 1 20 G H1' 1 21 G H8 5.000 . 5.000 4.709 4.709 4.709 . 0 0 "[ ]" 1
46 1 4 G H1' 1 26 A H2 4.000 . 4.000 3.351 3.351 3.351 . 0 0 "[ ]" 1
47 1 21 G H1' 1 21 G H8 5.000 . 5.000 3.772 3.772 3.772 . 0 0 "[ ]" 1
48 1 8 U H5 1 8 U H6 3.000 . 3.000 2.397 2.397 2.397 . 0 0 "[ ]" 1
49 1 7 C H6 1 8 U H5 4.000 . 4.000 3.977 3.977 3.977 . 0 0 "[ ]" 1
50 1 12 G H1' 1 12 G H8 4.000 . 4.000 3.472 3.472 3.472 . 0 0 "[ ]" 1
51 1 9 C H5 1 9 C H6 3.000 . 3.000 2.404 2.404 2.404 . 0 0 "[ ]" 1
52 1 7 C H1' 1 23 A H2 4.000 . 4.000 2.709 2.709 2.709 . 0 0 "[ ]" 1
53 1 7 C H1' 1 8 U H6 5.000 . 5.000 4.935 4.935 4.935 . 0 0 "[ ]" 1
54 1 7 C H1' 1 7 C H6 5.000 . 5.000 3.673 3.673 3.673 . 0 0 "[ ]" 1
55 1 8 U H1' 1 8 U H6 5.000 . 5.000 3.690 3.690 3.690 . 0 0 "[ ]" 1
56 1 6 C H6 1 7 C H5 5.000 . 5.000 4.536 4.536 4.536 . 0 0 "[ ]" 1
57 1 14 G H1' 1 14 G H8 4.000 . 4.000 3.933 3.933 3.933 . 0 0 "[ ]" 1
58 1 23 A H2 1 24 C H1' 5.000 . 5.000 3.185 3.185 3.185 . 0 0 "[ ]" 1
59 1 9 C H1' 1 9 C H6 4.000 . 4.000 3.692 3.692 3.692 . 0 0 "[ ]" 1
60 1 10 C H5 1 10 C H6 3.000 . 3.000 2.401 2.401 2.401 . 0 0 "[ ]" 1
61 1 11 C H1' 1 12 G H8 5.000 . 5.000 5.028 5.028 5.028 0.028 1 0 "[ ]" 1
62 1 28 C H1' 1 28 C H6 4.000 . 4.000 3.700 3.700 3.700 . 0 0 "[ ]" 1
63 1 10 C H1' 1 10 C H6 5.000 . 5.000 3.672 3.672 3.672 . 0 0 "[ ]" 1
64 1 11 C H5 1 11 C H6 3.000 . 3.000 2.405 2.405 2.405 . 0 0 "[ ]" 1
65 1 26 A H2 1 27 C H1' 4.000 . 4.000 2.946 2.946 2.946 . 0 0 "[ ]" 1
66 1 24 C H5 1 24 C H6 3.000 . 3.000 2.365 2.365 2.365 . 0 0 "[ ]" 1
67 1 28 C H5 1 28 C H6 3.000 . 3.000 2.407 2.407 2.407 . 0 0 "[ ]" 1
68 1 6 C H5 1 6 C H6 3.000 . 3.000 2.393 2.393 2.393 . 0 0 "[ ]" 1
69 1 27 C H5 1 27 C H6 3.000 . 3.000 2.379 2.379 2.379 . 0 0 "[ ]" 1
70 1 3 U H5 1 3 U H6 3.000 . 3.000 2.315 2.315 2.315 . 0 0 "[ ]" 1
71 1 4 G H1' 1 4 G H8 5.000 . 5.000 3.797 3.797 3.797 . 0 0 "[ ]" 1
72 1 5 A H2' 1 6 C H5 5.000 . 5.000 4.046 4.046 4.046 . 0 0 "[ ]" 1
73 1 2 G H3' 1 3 U H5 4.000 . 4.000 3.190 3.190 3.190 . 0 0 "[ ]" 1
74 1 2 G H2' 1 3 U H5 4.000 . 4.000 3.872 3.872 3.872 . 0 0 "[ ]" 1
75 1 26 A H2' 1 27 C H5 5.000 . 5.000 3.612 3.612 3.612 . 0 0 "[ ]" 1
76 1 26 A H3' 1 27 C H5 5.000 . 5.000 2.427 2.427 2.427 . 0 0 "[ ]" 1
77 1 25 C H6 1 26 A H8 5.000 . 5.000 3.765 3.765 3.765 . 0 0 "[ ]" 1
78 1 22 G H8 1 23 A H8 5.000 . 5.000 4.761 4.761 4.761 . 0 0 "[ ]" 1
79 1 4 G H8 1 5 A H8 5.000 . 5.000 4.744 4.744 4.744 . 0 0 "[ ]" 1
80 1 20 G H8 1 21 G H8 5.000 . 5.000 4.889 4.889 4.889 . 0 0 "[ ]" 1
81 1 7 C H5 1 8 U H5 5.000 . 5.000 3.768 3.768 3.768 . 0 0 "[ ]" 1
82 1 6 C H5 1 7 C H5 5.000 . 5.000 4.162 4.162 4.162 . 0 0 "[ ]" 1
83 1 3 U H1' 1 3 U H5 5.000 . 5.000 5.146 5.146 5.146 0.146 1 0 "[ ]" 1
84 1 23 A H1' 1 23 A H8 4.000 . 4.000 3.727 3.727 3.727 . 0 0 "[ ]" 1
85 1 22 G H1' 1 22 G H8 4.000 . 4.000 3.791 3.791 3.791 . 0 0 "[ ]" 1
86 1 19 G H1' 1 19 G H8 4.000 . 4.000 3.776 3.776 3.776 . 0 0 "[ ]" 1
87 1 25 C H5 1 25 C H6 3.000 . 3.000 2.399 2.399 2.399 . 0 0 "[ ]" 1
88 1 5 A H2 1 25 C H1' 4.000 . 4.000 2.910 2.910 2.910 . 0 0 "[ ]" 1
89 1 7 C H5 1 7 C H6 3.000 . 3.000 2.404 2.404 2.404 . 0 0 "[ ]" 1
90 1 3 U H1' 1 3 U H6 4.000 . 4.000 3.495 3.495 3.495 . 0 0 "[ ]" 1
91 1 1 G H2' 1 1 G H8 7.000 . 7.000 3.612 3.612 3.612 . 0 0 "[ ]" 1
92 1 1 G H2' 1 2 G H8 7.000 . 7.000 2.459 2.459 2.459 . 0 0 "[ ]" 1
93 1 16 G H3' 1 17 C H6 4.000 . 4.000 3.196 3.196 3.196 . 0 0 "[ ]" 1
94 1 16 G H3' 1 16 G H8 4.000 . 4.000 2.634 2.634 2.634 . 0 0 "[ ]" 1
95 1 21 G H2' 1 22 G H8 4.000 . 4.000 2.092 2.092 2.092 . 0 0 "[ ]" 1
96 1 16 G H2' 1 16 G H8 4.000 . 4.000 3.791 3.791 3.791 . 0 0 "[ ]" 1
97 1 3 U H2' 1 4 G H8 4.000 . 4.000 2.032 2.032 2.032 . 0 0 "[ ]" 1
98 1 15 A H2' 1 15 A H8 4.000 . 4.000 2.311 2.311 2.311 . 0 0 "[ ]" 1
99 1 14 G H2' 1 14 G H8 4.000 . 4.000 2.482 2.482 2.482 . 0 0 "[ ]" 1
100 1 1 G H8 1 2 G H3' 7.000 . 7.000 7.024 7.024 7.024 0.024 1 0 "[ ]" 1
101 1 2 G H3' 1 2 G H8 7.000 . 7.000 2.974 2.974 2.974 . 0 0 "[ ]" 1
102 1 26 A H3' 1 26 A H8 4.000 . 4.000 3.900 3.900 3.900 . 0 0 "[ ]" 1
103 1 26 A H3' 1 27 C H6 4.000 . 4.000 2.231 2.231 2.231 . 0 0 "[ ]" 1
104 1 22 G H2' 1 23 A H8 4.000 . 4.000 2.191 2.191 2.191 . 0 0 "[ ]" 1
105 1 22 G H2' 1 22 G H8 4.000 . 4.000 4.016 4.016 4.016 0.016 1 0 "[ ]" 1
106 1 18 G H2' 1 19 G H8 4.000 . 4.000 2.052 2.052 2.052 . 0 0 "[ ]" 1
107 1 4 G H2' 1 5 A H8 4.000 . 4.000 2.276 2.276 2.276 . 0 0 "[ ]" 1
108 1 17 C H2' 1 17 C H6 4.000 . 4.000 3.579 3.579 3.579 . 0 0 "[ ]" 1
109 1 17 C H2' 1 18 G H8 4.000 . 4.000 2.512 2.512 2.512 . 0 0 "[ ]" 1
110 1 25 C H3' 1 26 A H8 4.000 . 4.000 2.506 2.506 2.506 . 0 0 "[ ]" 1
111 1 12 G H2' 1 12 G H8 4.000 . 4.000 4.047 4.047 4.047 0.047 1 0 "[ ]" 1
112 1 20 G H2' 1 21 G H8 4.000 . 4.000 2.219 2.219 2.219 . 0 0 "[ ]" 1
113 1 2 G H2' 1 3 U H6 4.000 . 4.000 2.216 2.216 2.216 . 0 0 "[ ]" 1
114 1 2 G H2' 1 2 G H8 7.000 . 7.000 4.214 4.214 4.214 . 0 0 "[ ]" 1
115 1 19 G H2' 1 19 G H8 4.000 . 4.000 4.018 4.018 4.018 0.018 1 0 "[ ]" 1
116 1 19 G H2' 1 20 G H8 4.000 . 4.000 2.014 2.014 2.014 . 0 0 "[ ]" 1
117 1 7 C H2' 1 8 U H6 4.000 . 4.000 2.275 2.275 2.275 . 0 0 "[ ]" 1
118 1 26 A H2' 1 27 C H6 4.000 . 4.000 2.281 2.281 2.281 . 0 0 "[ ]" 1
119 1 5 A H2' 1 6 C H6 4.000 . 4.000 2.299 2.299 2.299 . 0 0 "[ ]" 1
120 1 11 C H2' 1 12 G H8 4.000 . 4.000 2.804 2.804 2.804 . 0 0 "[ ]" 1
121 1 7 C H2' 1 7 C H6 4.000 . 4.000 3.736 3.736 3.736 . 0 0 "[ ]" 1
122 1 28 C H2' 1 29 A H8 7.000 . 7.000 2.351 2.351 2.351 . 0 0 "[ ]" 1
123 1 25 C H2' 1 26 A H8 4.000 . 4.000 2.514 2.514 2.514 . 0 0 "[ ]" 1
124 1 9 C H2' 1 9 C H6 4.000 . 4.000 3.674 3.674 3.674 . 0 0 "[ ]" 1
125 1 10 C H2' 1 11 C H6 4.000 . 4.000 2.228 2.228 2.228 . 0 0 "[ ]" 1
126 1 6 C H2' 1 7 C H6 4.000 . 4.000 2.246 2.246 2.246 . 0 0 "[ ]" 1
127 1 27 C H2' 1 28 C H6 4.000 . 4.000 2.349 2.349 2.349 . 0 0 "[ ]" 1
128 1 24 C H2' 1 25 C H6 4.000 . 4.000 2.192 2.192 2.192 . 0 0 "[ ]" 1
129 1 8 U H2' 1 9 C H6 4.000 . 4.000 2.218 2.218 2.218 . 0 0 "[ ]" 1
130 1 29 A H2' 1 29 A H8 7.000 . 7.000 4.278 4.278 4.278 . 0 0 "[ ]" 1
131 1 1 G H1' 1 1 G H2' 7.000 . 7.000 2.906 2.906 2.906 . 0 0 "[ ]" 1
132 1 16 G H1' 1 16 G H3' 4.000 . 4.000 3.756 3.756 3.756 . 0 0 "[ ]" 1
133 1 21 G H1' 1 21 G H2' 4.000 . 4.000 2.791 2.791 2.791 . 0 0 "[ ]" 1
134 1 15 A H1' 1 15 A H3' 4.000 . 4.000 3.655 3.655 3.655 . 0 0 "[ ]" 1
135 1 26 A H1' 1 26 A H3' 4.000 . 4.000 3.894 3.894 3.894 . 0 0 "[ ]" 1
136 1 22 G H1' 1 22 G H2' 4.000 . 4.000 2.758 2.758 2.758 . 0 0 "[ ]" 1
137 1 18 G H1' 1 18 G H2' 4.000 . 4.000 2.742 2.742 2.742 . 0 0 "[ ]" 1
138 1 5 A H1' 1 5 A H2' 4.000 . 4.000 2.783 2.783 2.783 . 0 0 "[ ]" 1
139 1 12 G H1' 1 12 G H2' 4.000 . 4.000 3.018 3.018 3.018 . 0 0 "[ ]" 1
140 1 4 G H1' 1 4 G H2' 4.000 . 4.000 2.764 2.764 2.764 . 0 0 "[ ]" 1
141 1 15 A H1' 1 15 A H2' 4.000 . 4.000 3.057 3.057 3.057 . 0 0 "[ ]" 1
142 1 23 A H1' 1 23 A H2' 4.000 . 4.000 2.739 2.739 2.739 . 0 0 "[ ]" 1
143 1 14 G H1' 1 14 G H3' 4.000 . 4.000 3.744 3.744 3.744 . 0 0 "[ ]" 1
144 1 20 G H1' 1 20 G H2' 4.000 . 4.000 2.778 2.778 2.778 . 0 0 "[ ]" 1
145 1 19 G H1' 1 19 G H2' 4.000 . 4.000 2.784 2.784 2.784 . 0 0 "[ ]" 1
146 1 2 G H1' 1 2 G H2' 7.000 . 7.000 2.741 2.741 2.741 . 0 0 "[ ]" 1
147 1 7 C H1' 1 7 C H2' 4.000 . 4.000 2.802 2.802 2.802 . 0 0 "[ ]" 1
148 1 26 A H1' 1 26 A H2' 4.000 . 4.000 2.725 2.725 2.725 . 0 0 "[ ]" 1
149 1 13 G H1' 1 13 G H2' 4.000 . 4.000 2.833 2.833 2.833 . 0 0 "[ ]" 1
150 1 11 C H1' 1 11 C H2' 4.000 . 4.000 2.763 2.763 2.763 . 0 0 "[ ]" 1
151 1 28 C H1' 1 28 C H2' 4.000 . 4.000 2.841 2.841 2.841 . 0 0 "[ ]" 1
152 1 25 C H1' 1 25 C H2' 4.000 . 4.000 2.754 2.754 2.754 . 0 0 "[ ]" 1
153 1 9 C H1' 1 9 C H2' 4.000 . 4.000 2.798 2.798 2.798 . 0 0 "[ ]" 1
154 1 10 C H1' 1 10 C H2' 4.000 . 4.000 2.795 2.795 2.795 . 0 0 "[ ]" 1
155 1 14 G H1' 1 14 G H4' 4.000 . 4.000 3.354 3.354 3.354 . 0 0 "[ ]" 1
156 1 6 C H1' 1 6 C H2' 4.000 . 4.000 2.779 2.779 2.779 . 0 0 "[ ]" 1
157 1 27 C H1' 1 27 C H2' 4.000 . 4.000 2.776 2.776 2.776 . 0 0 "[ ]" 1
158 1 24 C H1' 1 24 C H2' 4.000 . 4.000 2.773 2.773 2.773 . 0 0 "[ ]" 1
159 1 8 U H1' 1 8 U H2' 4.000 . 4.000 2.786 2.786 2.786 . 0 0 "[ ]" 1
160 1 29 A H1' 1 29 A H2' 7.000 . 7.000 2.750 2.750 2.750 . 0 0 "[ ]" 1
161 1 9 C H2' 1 10 C H6 4.000 . 4.000 2.207 2.207 2.207 . 0 0 "[ ]" 1
162 1 16 G H1' 1 16 G H2' 4.000 . 4.000 2.701 2.701 2.701 . 0 0 "[ ]" 1
163 1 23 A H2' 1 24 C H6 4.000 . 4.000 2.155 2.155 2.155 . 0 0 "[ ]" 1
164 1 23 A H3' 1 24 C H6 4.000 . 4.000 2.796 2.796 2.796 . 0 0 "[ ]" 1
165 1 3 U H3' 1 3 U H6 4.000 . 4.000 2.784 2.784 2.784 . 0 0 "[ ]" 1
166 1 4 G H3' 1 4 G H8 4.000 . 4.000 2.788 2.788 2.788 . 0 0 "[ ]" 1
167 1 5 A H3' 1 5 A H8 4.000 . 4.000 3.041 3.041 3.041 . 0 0 "[ ]" 1
168 1 6 C H3' 1 6 C H6 4.000 . 4.000 2.695 2.695 2.695 . 0 0 "[ ]" 1
169 1 7 C H3' 1 7 C H6 4.000 . 4.000 2.637 2.637 2.637 . 0 0 "[ ]" 1
170 1 8 U H3' 1 8 U H6 4.000 . 4.000 2.495 2.495 2.495 . 0 0 "[ ]" 1
171 1 9 C H3' 1 9 C H6 4.000 . 4.000 2.501 2.501 2.501 . 0 0 "[ ]" 1
172 1 10 C H3' 1 10 C H6 4.000 . 4.000 2.603 2.603 2.603 . 0 0 "[ ]" 1
173 1 11 C H3' 1 11 C H6 4.000 . 4.000 2.761 2.761 2.761 . 0 0 "[ ]" 1
174 1 18 G H3' 1 18 G H8 4.000 . 4.000 2.799 2.799 2.799 . 0 0 "[ ]" 1
175 1 19 G H3' 1 19 G H8 4.000 . 4.000 2.880 2.880 2.880 . 0 0 "[ ]" 1
176 1 20 G H3' 1 20 G H8 4.000 . 4.000 2.947 2.947 2.947 . 0 0 "[ ]" 1
177 1 21 G H3' 1 21 G H8 4.000 . 4.000 2.982 2.982 2.982 . 0 0 "[ ]" 1
178 1 22 G H3' 1 22 G H8 4.000 . 4.000 2.783 2.783 2.783 . 0 0 "[ ]" 1
179 1 23 A H3' 1 23 A H8 4.000 . 4.000 3.200 3.200 3.200 . 0 0 "[ ]" 1
180 1 24 C H3' 1 24 C H6 4.000 . 4.000 2.654 2.654 2.654 . 0 0 "[ ]" 1
181 1 25 C H3' 1 25 C H6 4.000 . 4.000 2.498 2.498 2.498 . 0 0 "[ ]" 1
182 1 27 C H3' 1 27 C H6 4.000 . 4.000 2.790 2.790 2.790 . 0 0 "[ ]" 1
183 1 17 C H5 1 18 G H8 7.000 . 7.000 5.152 5.152 5.152 . 0 0 "[ ]" 1
184 1 23 A H1' 1 24 C H6 5.000 . 5.000 4.639 4.639 4.639 . 0 0 "[ ]" 1
185 1 1 G H1' 1 29 A H2 7.000 . 7.000 3.391 3.391 3.391 . 0 0 "[ ]" 1
186 1 5 A H1' 1 6 C H6 5.000 . 5.000 4.833 4.833 4.833 . 0 0 "[ ]" 1
187 1 5 A H1' 1 5 A H2 7.000 . 7.000 4.763 4.763 4.763 . 0 0 "[ ]" 1
188 1 15 A H2 1 16 G H1' 7.000 . 7.000 3.077 3.077 3.077 . 0 0 "[ ]" 1
189 1 15 A H2 1 16 G H2' 7.000 . 7.000 5.485 5.485 5.485 . 0 0 "[ ]" 1
190 1 15 A H1' 1 15 A H2 7.000 . 7.000 4.708 4.708 4.708 . 0 0 "[ ]" 1
191 1 14 G H8 1 15 A H1' 7.000 . 7.000 6.810 6.810 6.810 . 0 0 "[ ]" 1
192 1 15 A H1' 1 16 G H8 5.000 . 5.000 3.092 3.092 3.092 . 0 0 "[ ]" 1
193 1 26 A H1' 1 27 C H6 5.000 . 5.000 4.773 4.773 4.773 . 0 0 "[ ]" 1
194 1 22 G H1' 1 23 A H8 5.000 . 5.000 4.689 4.689 4.689 . 0 0 "[ ]" 1
195 1 4 G H1' 1 5 A H8 5.000 . 5.000 4.727 4.727 4.727 . 0 0 "[ ]" 1
196 1 19 G H1' 1 20 G H8 5.000 . 5.000 4.588 4.588 4.588 . 0 0 "[ ]" 1
197 1 21 G H1' 1 22 G H8 5.000 . 5.000 4.701 4.701 4.701 . 0 0 "[ ]" 1
198 1 18 G H1' 1 19 G H8 5.000 . 5.000 4.534 4.534 4.534 . 0 0 "[ ]" 1
199 1 12 G H1' 1 13 G H8 5.000 . 5.000 5.015 5.015 5.015 0.015 1 0 "[ ]" 1
200 1 16 G H1' 1 17 C H6 5.000 . 5.000 5.011 5.011 5.011 0.011 1 0 "[ ]" 1
201 1 24 C H6 1 25 C H5 7.000 . 7.000 4.445 4.445 4.445 . 0 0 "[ ]" 1
202 1 8 U H1' 1 9 C H6 5.000 . 5.000 4.857 4.857 4.857 . 0 0 "[ ]" 1
203 1 5 A H2 1 6 C H1' 5.000 . 5.000 2.723 2.723 2.723 . 0 0 "[ ]" 1
204 1 14 G H1' 1 15 A H8 5.000 . 5.000 5.018 5.018 5.018 0.018 1 0 "[ ]" 1
205 1 24 C H1' 1 24 C H6 5.000 . 5.000 3.641 3.641 3.641 . 0 0 "[ ]" 1
206 1 9 C H1' 1 10 C H6 5.000 . 5.000 4.833 4.833 4.833 . 0 0 "[ ]" 1
207 1 9 C H6 1 10 C H5 5.000 . 5.000 3.967 3.967 3.967 . 0 0 "[ ]" 1
208 1 28 C H1' 1 29 A H8 7.000 . 7.000 4.764 4.764 4.764 . 0 0 "[ ]" 1
209 1 27 C H1' 1 27 C H6 5.000 . 5.000 3.608 3.608 3.608 . 0 0 "[ ]" 1
210 1 23 A H8 1 24 C H5 5.000 . 5.000 3.198 3.198 3.198 . 0 0 "[ ]" 1
211 1 26 A H8 1 27 C H5 5.000 . 5.000 3.884 3.884 3.884 . 0 0 "[ ]" 1
212 1 17 C H1' 1 18 G H8 7.000 . 7.000 4.977 4.977 4.977 . 0 0 "[ ]" 1
213 1 17 C H1' 1 17 C H6 5.000 . 5.000 3.688 3.688 3.688 . 0 0 "[ ]" 1
214 1 16 G H2' 1 17 C H6 7.000 . 7.000 2.676 2.676 2.676 . 0 0 "[ ]" 1
215 1 21 G H2' 1 21 G H8 5.000 . 5.000 4.078 4.078 4.078 . 0 0 "[ ]" 1
216 1 18 G H2' 1 18 G H8 5.000 . 5.000 4.080 4.080 4.080 . 0 0 "[ ]" 1
217 1 4 G H2' 1 4 G H8 5.000 . 5.000 4.022 4.022 4.022 . 0 0 "[ ]" 1
218 1 20 G H2' 1 20 G H8 5.000 . 5.000 4.120 4.120 4.120 . 0 0 "[ ]" 1
219 1 26 A H2' 1 26 A H8 5.000 . 5.000 4.588 4.588 4.588 . 0 0 "[ ]" 1
220 1 11 C H2' 1 11 C H6 5.000 . 5.000 3.766 3.766 3.766 . 0 0 "[ ]" 1
221 1 13 G H2' 1 13 G H8 5.000 . 5.000 3.819 3.819 3.819 . 0 0 "[ ]" 1
222 1 28 C H2' 1 28 C H6 5.000 . 5.000 3.576 3.576 3.576 . 0 0 "[ ]" 1
223 1 24 C H2' 1 24 C H6 5.000 . 5.000 3.844 3.844 3.844 . 0 0 "[ ]" 1
224 1 8 U H2' 1 8 U H6 5.000 . 5.000 3.683 3.683 3.683 . 0 0 "[ ]" 1
225 1 27 C H1' 1 28 C H6 5.000 . 5.000 4.912 4.912 4.912 . 0 0 "[ ]" 1
226 1 10 C H2' 1 10 C H6 5.000 . 5.000 3.781 3.781 3.781 . 0 0 "[ ]" 1
227 1 25 C H2' 1 25 C H6 5.000 . 5.000 3.786 3.786 3.786 . 0 0 "[ ]" 1
228 1 27 C H2' 1 27 C H6 5.000 . 5.000 3.941 3.941 3.941 . 0 0 "[ ]" 1
229 1 14 G H8 1 15 A H8 7.000 . 7.000 5.241 5.241 5.241 . 0 0 "[ ]" 1
230 1 9 C H6 1 10 C H6 5.000 . 5.000 4.612 4.612 4.612 . 0 0 "[ ]" 1
231 1 16 G H8 1 17 C H6 5.000 . 5.000 3.997 3.997 3.997 . 0 0 "[ ]" 1
232 1 15 A H8 1 16 G H8 5.000 . 5.000 4.095 4.095 4.095 . 0 0 "[ ]" 1
233 1 5 A H8 1 6 C H5 5.000 . 5.000 3.688 3.688 3.688 . 0 0 "[ ]" 1
234 1 5 A H8 1 6 C H6 5.000 . 5.000 4.502 4.502 4.502 . 0 0 "[ ]" 1
235 1 7 C H6 1 8 U H6 5.000 . 5.000 4.667 4.667 4.667 . 0 0 "[ ]" 1
236 1 17 C H6 1 18 G H8 5.000 . 5.000 4.851 4.851 4.851 . 0 0 "[ ]" 1
237 1 6 C H6 1 7 C H6 7.000 . 7.000 5.052 5.052 5.052 . 0 0 "[ ]" 1
238 1 28 C H6 1 29 A H8 7.000 . 7.000 4.405 4.405 4.405 . 0 0 "[ ]" 1
239 1 1 G H8 1 2 G H8 7.000 . 7.000 4.138 4.138 4.138 . 0 0 "[ ]" 1
240 1 11 C H6 1 12 G H8 5.000 . 5.000 3.526 3.526 3.526 . 0 0 "[ ]" 1
241 1 18 G H8 1 19 G H8 5.000 . 5.000 4.658 4.658 4.658 . 0 0 "[ ]" 1
242 1 12 G H8 1 13 G H8 5.000 . 5.000 4.037 4.037 4.037 . 0 0 "[ ]" 1
243 1 4 G H8 1 26 A H2 5.000 . 5.000 5.017 5.017 5.017 0.017 1 0 "[ ]" 1
244 1 2 G H8 1 3 U H6 5.000 . 5.000 4.644 4.644 4.644 . 0 0 "[ ]" 1
245 1 21 G H8 1 22 G H8 5.000 . 5.000 4.802 4.802 4.802 . 0 0 "[ ]" 1
246 1 23 A H1' 1 24 C H5 5.000 . 5.000 5.059 5.059 5.059 0.059 1 0 "[ ]" 1
247 1 23 A H1' 1 24 C H1' 7.000 . 7.000 5.912 5.912 5.912 . 0 0 "[ ]" 1
248 1 22 G H1' 1 23 A H1' 7.000 . 7.000 5.565 5.565 5.565 . 0 0 "[ ]" 1
249 1 5 A H1' 1 6 C H5 7.000 . 7.000 5.805 5.805 5.805 . 0 0 "[ ]" 1
250 1 25 C H1' 1 26 A H1' 7.000 . 7.000 4.761 4.761 4.761 . 0 0 "[ ]" 1
251 1 26 A H1' 1 27 C H1' 7.000 . 7.000 6.233 6.233 6.233 . 0 0 "[ ]" 1
252 1 26 A H1' 1 27 C H5 7.000 . 7.000 5.044 5.044 5.044 . 0 0 "[ ]" 1
253 1 2 G H1' 1 3 U H5 7.000 . 7.000 5.508 5.508 5.508 . 0 0 "[ ]" 1
254 1 9 C H5 1 10 C H5 5.000 . 5.000 3.671 3.671 3.671 . 0 0 "[ ]" 1
255 1 10 C H5 1 11 C H5 5.000 . 5.000 3.585 3.585 3.585 . 0 0 "[ ]" 1
256 1 10 C H6 1 11 C H6 5.000 . 5.000 4.550 4.550 4.550 . 0 0 "[ ]" 1
257 1 10 C H1' 1 11 C H6 5.000 . 5.000 4.822 4.822 4.822 . 0 0 "[ ]" 1
258 1 10 C H6 1 11 C H5 5.000 . 5.000 3.925 3.925 3.925 . 0 0 "[ ]" 1
259 1 8 U H5 1 9 C H5 5.000 . 5.000 3.927 3.927 3.927 . 0 0 "[ ]" 1
260 1 8 U H6 1 9 C H6 5.000 . 5.000 4.899 4.899 4.899 . 0 0 "[ ]" 1
261 1 8 U H6 1 9 C H5 5.000 . 5.000 4.230 4.230 4.230 . 0 0 "[ ]" 1
262 1 13 G H3' 1 14 G H8 7.000 . 7.000 4.286 4.286 4.286 . 0 0 "[ ]" 1
263 1 12 G C5' 1 12 G H8 7.000 . 7.000 4.586 4.586 4.586 . 0 0 "[ ]" 1
264 1 12 G H3' 1 12 G H8 5.000 . 5.000 4.458 4.458 4.458 . 0 0 "[ ]" 1
265 1 11 C H3' 1 12 G H8 5.000 . 5.000 2.315 2.315 2.315 . 0 0 "[ ]" 1
266 1 11 C H3' 1 12 G H1' 5.000 . 5.000 3.797 3.797 3.797 . 0 0 "[ ]" 1
267 1 11 C C5' 1 12 G H1' 7.000 . 7.000 6.184 6.184 6.184 . 0 0 "[ ]" 1
268 1 11 C H4' 1 12 G H1' 5.000 . 5.000 5.091 5.091 5.091 0.091 1 0 "[ ]" 1
269 1 16 G H2' 1 17 C H5 7.000 . 7.000 4.533 4.533 4.533 . 0 0 "[ ]" 1
270 1 16 G H3' 1 17 C H5 5.000 . 5.000 3.841 3.841 3.841 . 0 0 "[ ]" 1
271 1 17 C H2' 1 17 C H5 5.000 . 5.000 5.002 5.002 5.002 0.002 1 0 "[ ]" 1
272 1 17 C H3' 1 17 C H5 5.000 . 5.000 4.414 4.414 4.414 . 0 0 "[ ]" 1
273 1 17 C H3' 1 17 C H6 5.000 . 5.000 2.514 2.514 2.514 . 0 0 "[ ]" 1
274 1 17 C C5' 1 17 C H6 5.000 . 5.000 3.344 3.344 3.344 . 0 0 "[ ]" 1
275 1 17 C H3' 1 18 G H8 5.000 . 5.000 4.024 4.024 4.024 . 0 0 "[ ]" 1
276 1 18 G H4' 1 18 G H8 5.000 . 5.000 4.283 4.283 4.283 . 0 0 "[ ]" 1
277 1 18 G H1' 1 18 G H4' 5.000 . 5.000 3.470 3.470 3.470 . 0 0 "[ ]" 1
278 1 24 C H5 1 25 C H5 5.000 . 5.000 4.276 4.276 4.276 . 0 0 "[ ]" 1
279 1 11 C H1' 1 12 G H1' 5.000 . 5.000 4.674 4.674 4.674 . 0 0 "[ ]" 1
280 1 27 C H1' 1 27 C H5 7.000 . 7.000 5.305 5.305 5.305 . 0 0 "[ ]" 1
281 1 27 C H5 1 28 C H5 5.000 . 5.000 3.910 3.910 3.910 . 0 0 "[ ]" 1
282 1 13 G H1' 1 13 G H8 5.000 . 5.000 3.834 3.834 3.834 . 0 0 "[ ]" 1
283 1 12 G H3' 1 13 G H8 7.000 . 7.000 2.352 2.352 2.352 . 0 0 "[ ]" 1
284 1 5 A H3' 1 6 C H5 5.000 . 5.000 3.464 3.464 3.464 . 0 0 "[ ]" 1
285 1 5 A H2' 1 6 C H1' 5.000 . 5.000 3.953 3.953 3.953 . 0 0 "[ ]" 1
286 1 5 A H2' 1 5 A H8 5.000 . 5.000 4.071 4.071 4.071 . 0 0 "[ ]" 1
287 1 23 A H2' 1 23 A H8 5.000 . 5.000 4.233 4.233 4.233 . 0 0 "[ ]" 1
288 1 5 A H3' 1 6 C H6 5.000 . 5.000 2.956 2.956 2.956 . 0 0 "[ ]" 1
289 1 26 A H4' 1 27 C H5 5.000 . 5.000 5.064 5.064 5.064 0.064 1 0 "[ ]" 1
290 1 16 G H3' 1 16 G H5' 5.000 . 5.000 3.818 3.818 3.818 . 0 0 "[ ]" 1
291 1 16 G H3' 1 16 G H5'' 5.000 . 5.000 2.993 2.993 2.993 . 0 0 "[ ]" 1
292 1 16 G H3' 1 17 C C5' 5.000 . 5.000 4.157 4.157 4.157 . 0 0 "[ ]" 1
293 1 16 G H1' 1 17 C C5' 5.000 . 5.000 5.068 5.068 5.068 0.068 1 0 "[ ]" 1
294 1 14 G H2' 1 15 A H1' 7.000 . 7.000 5.895 5.895 5.895 . 0 0 "[ ]" 1
295 1 14 G H3' 1 15 A H1' 7.000 . 7.000 7.036 7.036 7.036 0.036 1 0 "[ ]" 1
296 1 11 C H2' 1 12 G H1' 5.000 . 5.000 2.160 2.160 2.160 . 0 0 "[ ]" 1
297 1 12 G H1' 1 12 G H4' 5.000 . 5.000 2.464 2.464 2.464 . 0 0 "[ ]" 1
298 1 7 C H2' 1 8 U H1' 5.000 . 5.000 3.970 3.970 3.970 . 0 0 "[ ]" 1
299 1 14 G H1' 1 15 A H2' 5.000 . 5.000 4.641 4.641 4.641 . 0 0 "[ ]" 1
300 1 14 G H2' 1 15 A H2' 5.000 . 5.000 4.572 4.572 4.572 . 0 0 "[ ]" 1
301 1 14 G H3' 1 15 A H2' 5.000 . 5.000 4.878 4.878 4.878 . 0 0 "[ ]" 1
302 1 14 G H1' 1 15 A H3' 7.000 . 7.000 5.678 5.678 5.678 . 0 0 "[ ]" 1
303 1 15 A C5' 1 15 A H1' 7.000 . 7.000 4.130 4.130 4.130 . 0 0 "[ ]" 1
304 1 16 G C5' 1 16 G H1' 7.000 . 7.000 4.393 4.393 4.393 . 0 0 "[ ]" 1
305 1 15 A H2' 1 16 G H1' 7.000 . 7.000 6.317 6.317 6.317 . 0 0 "[ ]" 1
306 1 15 A H3' 1 16 G H1' 7.000 . 7.000 7.042 7.042 7.042 0.042 1 0 "[ ]" 1
307 1 17 C H2' 1 18 G H1' 5.000 . 5.000 3.830 3.830 3.830 . 0 0 "[ ]" 1
308 1 17 C H3' 1 18 G H1' 7.000 . 7.000 6.210 6.210 6.210 . 0 0 "[ ]" 1
309 1 14 G H1' 1 15 A C5' 7.000 . 7.000 3.471 3.471 3.471 . 0 0 "[ ]" 1
310 1 8 U H2' 1 9 C H1' 5.000 . 5.000 4.121 4.121 4.121 . 0 0 "[ ]" 1
311 1 14 G C5' 1 14 G H2' 5.000 . 5.000 2.993 2.993 2.993 . 0 0 "[ ]" 1
312 1 15 A C5' 1 15 A H3' 5.000 . 5.000 2.644 2.644 2.644 . 0 0 "[ ]" 1
313 1 12 G H2' 1 13 G H1' 7.000 . 7.000 3.387 3.387 3.387 . 0 0 "[ ]" 1
314 1 15 A H2' 1 16 G H8 5.000 . 5.000 4.218 4.218 4.218 . 0 0 "[ ]" 1
315 1 14 G H2' 1 15 A H8 5.000 . 5.000 3.726 3.726 3.726 . 0 0 "[ ]" 1
316 1 15 A H3' 1 16 G H8 5.000 . 5.000 5.010 5.010 5.010 0.010 1 0 "[ ]" 1
317 1 14 G H3' 1 15 A H8 5.000 . 5.000 4.884 4.884 4.884 . 0 0 "[ ]" 1
318 1 15 A H3' 1 15 A H8 5.000 . 5.000 4.675 4.675 4.675 . 0 0 "[ ]" 1
319 1 15 A C5' 1 15 A H8 7.000 . 7.000 5.009 5.009 5.009 . 0 0 "[ ]" 1
320 1 16 G H4' 1 17 C H6 7.000 . 7.000 5.806 5.806 5.806 . 0 0 "[ ]" 1
321 1 13 G H2' 1 14 G H8 5.000 . 5.000 3.098 3.098 3.098 . 0 0 "[ ]" 1
322 1 13 G H4' 1 14 G H8 7.000 . 7.000 4.026 4.026 4.026 . 0 0 "[ ]" 1
323 1 13 G H1' 1 14 G H8 7.000 . 7.000 4.600 4.600 4.600 . 0 0 "[ ]" 1
324 1 14 G H8 1 15 A C5' 7.000 . 7.000 6.956 6.956 6.956 . 0 0 "[ ]" 1
325 1 16 G H5' 1 16 G H8 7.000 . 7.000 4.462 4.462 4.462 . 0 0 "[ ]" 1
326 1 16 G H5'' 1 16 G H8 7.000 . 7.000 4.444 4.444 4.444 . 0 0 "[ ]" 1
327 1 15 A C5' 1 16 G H8 7.000 . 7.000 6.590 6.590 6.590 . 0 0 "[ ]" 1
328 1 14 G C5' 1 14 G H8 7.000 . 7.000 3.706 3.706 3.706 . 0 0 "[ ]" 1
329 1 16 G H8 1 17 C H1' 7.000 . 7.000 6.462 6.462 6.462 . 0 0 "[ ]" 1
330 1 24 C H1' 1 25 C H6 5.000 . 5.000 4.821 4.821 4.821 . 0 0 "[ ]" 1
331 1 16 G H8 1 17 C H5 7.000 . 7.000 3.521 3.521 3.521 . 0 0 "[ ]" 1
332 1 14 G H8 1 16 G H8 99.000 5.000 99.000 8.503 8.503 8.503 . 0 0 "[ ]" 1
333 1 14 G H1' 1 16 G H8 99.000 5.000 99.000 7.707 7.707 7.707 . 0 0 "[ ]" 1
334 1 13 G H21 1 14 G H8 99.000 5.000 99.000 8.243 8.243 8.243 . 0 0 "[ ]" 1
335 1 13 G H22 1 14 G H8 99.000 5.000 99.000 6.973 6.973 6.973 . 0 0 "[ ]" 1
336 1 16 G H1' 1 17 C H5 99.000 5.000 99.000 6.227 6.227 6.227 . 0 0 "[ ]" 1
337 1 15 A H8 1 17 C H1' 99.000 5.000 99.000 8.422 8.422 8.422 . 0 0 "[ ]" 1
338 1 15 A H2 1 17 C H1' 99.000 5.000 99.000 7.032 7.032 7.032 . 0 0 "[ ]" 1
339 1 15 A H2 1 17 C H5 99.000 5.000 99.000 8.698 8.698 8.698 . 0 0 "[ ]" 1
340 1 15 A H2 1 17 C H6 99.000 5.000 99.000 7.578 7.578 7.578 . 0 0 "[ ]" 1
341 1 15 A H2 1 17 C H3' 99.000 5.000 99.000 9.146 9.146 9.146 . 0 0 "[ ]" 1
342 1 15 A H2 1 17 C H5' 99.000 5.000 99.000 6.754 6.754 6.754 . 0 0 "[ ]" 1
343 1 15 A H2 1 17 C H5'' 99.000 5.000 99.000 8.485 8.485 8.485 . 0 0 "[ ]" 1
344 1 12 G H8 1 14 G H1' 99.000 5.000 99.000 12.438 12.438 12.438 . 0 0 "[ ]" 1
345 1 12 G H8 1 14 G H2' 99.000 5.000 99.000 9.492 9.492 9.492 . 0 0 "[ ]" 1
346 1 12 G H8 1 14 G H3' 99.000 5.000 99.000 10.153 10.153 10.153 . 0 0 "[ ]" 1
347 1 12 G H8 1 14 G H4' 99.000 5.000 99.000 12.457 12.457 12.457 . 0 0 "[ ]" 1
348 1 15 A H1' 1 17 C H5 99.000 5.000 99.000 6.591 6.591 6.591 . 0 0 "[ ]" 1
349 1 15 A H2' 1 17 C H5 99.000 5.000 99.000 7.135 7.135 7.135 . 0 0 "[ ]" 1
350 1 15 A H3' 1 17 C H5 99.000 5.000 99.000 8.028 8.028 8.028 . 0 0 "[ ]" 1
351 1 15 A H4' 1 17 C H5 99.000 5.000 99.000 9.220 9.220 9.220 . 0 0 "[ ]" 1
352 1 15 A H1' 1 17 C H6 99.000 5.000 99.000 6.647 6.647 6.647 . 0 0 "[ ]" 1
353 1 15 A H2' 1 17 C H6 99.000 5.000 99.000 8.108 8.108 8.108 . 0 0 "[ ]" 1
354 1 15 A H3' 1 17 C H6 99.000 5.000 99.000 8.964 8.964 8.964 . 0 0 "[ ]" 1
355 1 15 A H4' 1 17 C H6 99.000 5.000 99.000 9.466 9.466 9.466 . 0 0 "[ ]" 1
356 1 13 G H1' 1 15 A H2 99.000 5.000 99.000 7.307 7.307 7.307 . 0 0 "[ ]" 1
357 1 14 G H8 1 15 A H2 99.000 5.000 99.000 6.178 6.178 6.178 . 0 0 "[ ]" 1
358 1 13 G H4' 1 15 A H2 99.000 5.000 99.000 8.286 8.286 8.286 . 0 0 "[ ]" 1
359 1 15 A H2 1 16 G H4' 99.000 5.000 99.000 5.775 5.775 5.775 . 0 0 "[ ]" 1
360 1 13 G H1' 1 15 A H8 99.000 5.000 99.000 4.949 4.949 4.949 0.051 1 0 "[ ]" 1
361 1 13 G H4' 1 15 A H8 99.000 5.000 99.000 7.304 7.304 7.304 . 0 0 "[ ]" 1
362 1 14 G H4' 1 15 A H8 99.000 5.000 99.000 6.951 6.951 6.951 . 0 0 "[ ]" 1
363 1 22 G H1 1 24 C H5 99.000 5.000 99.000 6.583 6.583 6.583 . 0 0 "[ ]" 1
364 1 23 A H2 1 24 C H5 99.000 5.000 99.000 5.832 5.832 5.832 . 0 0 "[ ]" 1
365 1 6 C H5 1 23 A H2 99.000 5.000 99.000 8.291 8.291 8.291 . 0 0 "[ ]" 1
366 1 6 C H6 1 23 A H2 99.000 5.000 99.000 7.930 7.930 7.930 . 0 0 "[ ]" 1
367 1 5 A H2 1 24 C H5 99.000 5.000 99.000 8.179 8.179 8.179 . 0 0 "[ ]" 1
368 1 5 A H2 1 24 C H6 99.000 5.000 99.000 7.834 7.834 7.834 . 0 0 "[ ]" 1
369 1 7 C H1' 1 24 C H5 99.000 5.000 99.000 8.365 8.365 8.365 . 0 0 "[ ]" 1
370 1 5 A H2 1 6 C H5 99.000 5.000 99.000 6.278 6.278 6.278 . 0 0 "[ ]" 1
371 1 5 A H2 1 23 A H2 99.000 5.000 99.000 5.919 5.919 5.919 . 0 0 "[ ]" 1
372 1 13 G H21 1 15 A H3' 99.000 5.000 99.000 6.413 6.413 6.413 . 0 0 "[ ]" 1
373 1 13 G H21 1 14 G H2' 99.000 5.000 99.000 6.862 6.862 6.862 . 0 0 "[ ]" 1
374 1 13 G H21 1 14 G H3' 99.000 5.000 99.000 7.655 7.655 7.655 . 0 0 "[ ]" 1
375 1 13 G H8 1 14 G H8 99.000 5.000 99.000 6.458 6.458 6.458 . 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 28
_Distance_constraint_stats_list.Viol_count 7
_Distance_constraint_stats_list.Viol_total 0.037
_Distance_constraint_stats_list.Viol_max 0.010
_Distance_constraint_stats_list.Viol_rms 0.0027
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0053
_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 0.010 0.010 1 0 "[ ]"
1 3 U 0.000 0.000 . 0 "[ ]"
1 4 G 0.005 0.005 1 0 "[ ]"
1 7 C 0.000 0.000 . 0 "[ ]"
1 8 U 0.003 0.003 1 0 "[ ]"
1 9 C 0.000 0.000 . 0 "[ ]"
1 10 C 0.000 0.000 . 0 "[ ]"
1 11 C 0.007 0.007 1 0 "[ ]"
1 12 G 0.011 0.008 1 0 "[ ]"
1 17 C 0.011 0.008 1 0 "[ ]"
1 18 G 0.007 0.007 1 0 "[ ]"
1 19 G 0.000 0.000 . 0 "[ ]"
1 20 G 0.000 0.000 . 0 "[ ]"
1 21 G 0.003 0.003 1 0 "[ ]"
1 22 G 0.000 0.000 . 0 "[ ]"
1 25 C 0.005 0.005 1 0 "[ ]"
1 26 A 0.000 0.000 . 0 "[ ]"
1 27 C 0.010 0.010 1 0 "[ ]"
1 28 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 H21 1 28 C O2 . . 2.000 1.960 1.960 1.960 . 0 0 "[ ]" 2
2 1 1 G H1 1 28 C N3 . . 2.000 1.982 1.982 1.982 . 0 0 "[ ]" 2
3 1 1 G O6 1 28 C H41 . . 2.000 2.002 2.002 2.002 0.002 1 0 "[ ]" 2
4 1 2 G H21 1 27 C O2 . . 2.000 1.990 1.990 1.990 . 0 0 "[ ]" 2
5 1 2 G H1 1 27 C N3 . . 2.000 2.000 2.000 2.000 . 0 0 "[ ]" 2
6 1 2 G O6 1 27 C H41 . . 2.000 2.010 2.010 2.010 0.010 1 0 "[ ]" 2
7 1 3 U O4 1 26 A H61 . . 2.000 1.985 1.985 1.985 . 0 0 "[ ]" 2
8 1 3 U H3 1 26 A N1 . . 2.000 1.963 1.963 1.963 . 0 0 "[ ]" 2
9 1 4 G H21 1 25 C O2 . . 2.000 1.962 1.962 1.962 . 0 0 "[ ]" 2
10 1 4 G H1 1 25 C N3 . . 2.000 1.966 1.966 1.966 . 0 0 "[ ]" 2
11 1 4 G O6 1 25 C H41 . . 2.000 2.005 2.005 2.005 0.005 1 0 "[ ]" 2
12 1 7 C O2 1 22 G H21 . . 2.000 1.969 1.969 1.969 . 0 0 "[ ]" 2
13 1 7 C N3 1 22 G H1 . . 2.000 1.976 1.976 1.976 . 0 0 "[ ]" 2
14 1 7 C H41 1 22 G O6 . . 2.000 1.983 1.983 1.983 . 0 0 "[ ]" 2
15 1 9 C O2 1 20 G H21 . . 2.000 1.944 1.944 1.944 . 0 0 "[ ]" 2
16 1 9 C N3 1 20 G H1 . . 2.000 1.979 1.979 1.979 . 0 0 "[ ]" 2
17 1 9 C H41 1 20 G O6 . . 2.000 1.951 1.951 1.951 . 0 0 "[ ]" 2
18 1 8 U H3 1 21 G O6 . . 2.000 2.003 2.003 2.003 0.003 1 0 "[ ]" 2
19 1 8 U O2 1 21 G H1 . . 2.000 1.944 1.944 1.944 . 0 0 "[ ]" 2
20 1 10 C O2 1 19 G H21 . . 2.000 1.952 1.952 1.952 . 0 0 "[ ]" 2
21 1 10 C N3 1 19 G H1 . . 2.000 1.993 1.993 1.993 . 0 0 "[ ]" 2
22 1 10 C H41 1 19 G O6 . . 2.000 1.957 1.957 1.957 . 0 0 "[ ]" 2
23 1 11 C O2 1 18 G H21 . . 2.000 1.957 1.957 1.957 . 0 0 "[ ]" 2
24 1 11 C N3 1 18 G H1 . . 2.000 1.987 1.987 1.987 . 0 0 "[ ]" 2
25 1 11 C H41 1 18 G O6 . . 2.000 2.007 2.007 2.007 0.007 1 0 "[ ]" 2
26 1 12 G H21 1 17 C O2 . . 2.000 2.008 2.008 2.008 0.008 1 0 "[ ]" 2
27 1 12 G H1 1 17 C N3 . . 2.000 2.003 2.003 2.003 0.003 1 0 "[ ]" 2
28 1 12 G O6 1 17 C H41 . . 2.000 1.981 1.981 1.981 . 0 0 "[ ]" 2
stop_
save_
Contact the webmaster for help, if required. Monday, May 13, 2024 10:28:05 PM GMT (wattos1)