NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
380328 |
1ie1   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ie1
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 329
_Distance_constraint_stats_list.Viol_count 1139
_Distance_constraint_stats_list.Viol_total 11470.726
_Distance_constraint_stats_list.Viol_max 6.848
_Distance_constraint_stats_list.Viol_rms 0.5917
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1076
_Distance_constraint_stats_list.Viol_average_violations_only 0.5595
_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 1.754 0.107 5 0 "[ . 1 . ]"
1 2 G 2.711 0.107 5 0 "[ . 1 . ]"
1 3 C 1.754 0.085 6 0 "[ . 1 . ]"
1 4 C 3.467 0.185 14 0 "[ . 1 . ]"
1 5 G 3.380 0.185 14 0 "[ . 1 . ]"
1 6 A 1.431 0.104 17 0 "[ . 1 . ]"
1 7 A 2.767 0.243 17 0 "[ . 1 . ]"
1 8 A 138.312 6.848 2 18 [*+***-************]
1 9 U 9.517 0.797 11 2 "[ - . 1+ . ]"
1 10 C 400.750 6.848 2 18 [*+***************-]
1 11 C 396.566 6.330 11 18 [**********+***-***]
1 12 C 4.190 0.287 5 0 "[ . 1 . ]"
1 13 G 192.919 5.799 18 18 [******-**********+]
1 14 A 52.698 4.208 6 18 [**-**+************]
1 15 A 4.393 0.120 13 0 "[ . 1 . ]"
1 16 G 0.801 0.079 13 0 "[ . 1 . ]"
1 17 U 2.495 0.110 13 0 "[ . 1 . ]"
1 18 A 2.097 0.130 14 0 "[ . 1 . ]"
1 19 G 3.241 0.188 3 0 "[ . 1 . ]"
1 20 G 4.783 0.188 3 0 "[ . 1 . ]"
1 21 C 6.118 0.233 9 0 "[ . 1 . ]"
1 22 C 1.217 0.158 7 0 "[ . 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 G H1' 1 1 G H8 4.000 . 4.000 3.837 3.817 3.877 . 0 0 "[ . 1 . ]" 1
2 1 1 G H2' 1 1 G H8 3.000 . 3.000 3.043 3.023 3.066 0.066 1 0 "[ . 1 . ]" 1
3 1 1 G H3' 1 1 G H8 4.000 . 4.000 3.607 2.275 3.976 . 0 0 "[ . 1 . ]" 1
4 1 1 G Q5' 1 1 G H8 5.000 . 5.000 3.689 2.773 4.353 . 0 0 "[ . 1 . ]" 1
5 1 1 G H8 1 2 G H8 5.000 . 5.000 4.739 3.454 5.007 0.007 13 0 "[ . 1 . ]" 1
6 1 1 G H1' 1 2 G H8 4.000 . 4.000 3.781 3.447 4.045 0.045 4 0 "[ . 1 . ]" 1
7 1 1 G H2' 1 2 G H8 3.000 . 3.000 2.182 1.994 2.229 . 0 0 "[ . 1 . ]" 1
8 1 1 G H3' 1 2 G H8 4.000 . 4.000 4.042 3.885 4.107 0.107 5 0 "[ . 1 . ]" 1
9 1 2 G H1' 1 2 G H8 5.000 . 5.000 3.734 3.643 3.816 . 0 0 "[ . 1 . ]" 1
10 1 2 G H1' 1 3 C H5 5.500 . 5.500 5.495 4.604 5.572 0.072 9 0 "[ . 1 . ]" 1
11 1 2 G H1' 1 3 C H6 5.000 . 5.000 4.461 3.638 4.844 . 0 0 "[ . 1 . ]" 1
12 1 2 G H1' 1 3 C H1' 5.500 . 5.500 5.481 5.188 5.541 0.041 15 0 "[ . 1 . ]" 1
13 1 2 G H2' 1 2 G H8 4.000 . 4.000 3.817 3.275 4.075 0.075 8 0 "[ . 1 . ]" 1
14 1 2 G H2' 1 3 C H6 3.000 . 3.000 2.133 2.073 2.193 . 0 0 "[ . 1 . ]" 1
15 1 2 G H2' 1 3 C H5 5.000 . 5.000 3.795 2.389 4.227 . 0 0 "[ . 1 . ]" 1
16 1 2 G H3' 1 2 G H8 4.000 . 4.000 3.385 2.974 4.027 0.027 18 0 "[ . 1 . ]" 1
17 1 2 G H3' 1 3 C H6 4.000 . 4.000 3.315 2.328 4.060 0.060 10 0 "[ . 1 . ]" 1
18 1 2 G H3' 1 3 C H5 5.000 . 5.000 4.199 2.952 4.986 . 0 0 "[ . 1 . ]" 1
19 1 2 G H4' 1 2 G H8 5.000 . 5.000 4.452 4.216 4.744 . 0 0 "[ . 1 . ]" 1
20 1 2 G Q5' 1 2 G H8 5.000 . 5.000 3.150 2.153 4.433 . 0 0 "[ . 1 . ]" 1
21 1 2 G H8 1 3 C H5 5.000 . 5.000 3.756 3.197 4.233 . 0 0 "[ . 1 . ]" 1
22 1 3 C H6 1 4 C H6 5.500 . 5.500 5.165 4.756 5.534 0.034 12 0 "[ . 1 . ]" 1
23 1 3 C H1' 1 3 C H5 5.500 . 5.500 5.311 5.250 5.398 . 0 0 "[ . 1 . ]" 1
24 1 3 C H1' 1 3 C H6 4.000 . 4.000 3.567 3.482 3.688 . 0 0 "[ . 1 . ]" 1
25 1 3 C H1' 1 4 C H6 5.000 . 5.000 4.366 3.776 5.008 0.008 8 0 "[ . 1 . ]" 1
26 1 3 C H1' 1 3 C H2' 3.000 . 3.000 2.955 2.860 2.994 . 0 0 "[ . 1 . ]" 1
27 1 3 C H2' 1 3 C H6 4.000 . 4.000 3.393 2.962 3.710 . 0 0 "[ . 1 . ]" 1
28 1 3 C H2' 1 3 C H5 5.000 . 5.000 4.944 4.678 5.085 0.085 6 0 "[ . 1 . ]" 1
29 1 3 C H2' 1 4 C H6 3.000 . 3.000 2.265 2.167 2.394 . 0 0 "[ . 1 . ]" 1
30 1 3 C H2' 1 4 C H5 5.000 . 5.000 2.775 2.159 3.650 . 0 0 "[ . 1 . ]" 1
31 1 3 C H3' 1 3 C H6 4.000 . 4.000 3.872 3.553 4.025 0.025 3 0 "[ . 1 . ]" 1
32 1 3 C H3' 1 4 C H6 5.000 . 5.000 3.970 3.394 4.348 . 0 0 "[ . 1 . ]" 1
33 1 3 C H3' 1 4 C H5 5.000 . 5.000 4.546 3.747 5.025 0.025 5 0 "[ . 1 . ]" 1
34 1 3 C Q5' 1 3 C H6 5.000 . 5.000 3.893 3.151 4.243 . 0 0 "[ . 1 . ]" 1
35 1 4 C H5 1 5 G H8 5.500 . 5.500 5.373 4.302 5.571 0.071 17 0 "[ . 1 . ]" 1
36 1 4 C H6 1 5 G H8 5.500 . 5.500 4.137 3.489 4.353 . 0 0 "[ . 1 . ]" 1
37 1 4 C H1' 1 4 C H5 5.500 . 5.500 5.405 5.388 5.443 . 0 0 "[ . 1 . ]" 1
38 1 4 C H1' 1 4 C H6 4.000 . 4.000 3.719 3.701 3.763 . 0 0 "[ . 1 . ]" 1
39 1 4 C H1' 1 5 G H8 5.000 . 5.000 3.934 3.578 4.666 . 0 0 "[ . 1 . ]" 1
40 1 4 C H1' 1 5 G H1' 5.500 . 5.500 3.561 3.203 4.383 . 0 0 "[ . 1 . ]" 1
41 1 4 C H1' 1 5 G H2' 5.500 . 5.500 5.529 5.411 5.685 0.185 14 0 "[ . 1 . ]" 1
42 1 4 C H2' 1 4 C H6 5.000 . 5.000 2.297 2.127 2.870 . 0 0 "[ . 1 . ]" 1
43 1 4 C H2' 1 4 C H5 5.000 . 5.000 4.163 4.022 4.647 . 0 0 "[ . 1 . ]" 1
44 1 4 C H2' 1 5 G H8 4.000 . 4.000 2.170 2.097 2.197 . 0 0 "[ . 1 . ]" 1
45 1 4 C H3' 1 4 C H6 4.000 . 4.000 2.589 2.111 2.805 . 0 0 "[ . 1 . ]" 1
46 1 4 C H3' 1 4 C H5 5.000 . 5.000 4.928 4.428 5.128 0.128 11 0 "[ . 1 . ]" 1
47 1 4 C H3' 1 5 G H8 4.000 . 4.000 3.955 3.630 4.052 0.052 2 0 "[ . 1 . ]" 1
48 1 4 C H4' 1 4 C H6 5.500 . 5.500 4.440 4.124 4.538 . 0 0 "[ . 1 . ]" 1
49 1 4 C Q5' 1 4 C H6 5.000 . 5.000 3.691 3.033 4.193 . 0 0 "[ . 1 . ]" 1
50 1 5 G H1' 1 5 G H8 5.000 . 5.000 3.800 3.676 3.887 . 0 0 "[ . 1 . ]" 1
51 1 5 G H1' 1 6 A H8 5.000 . 5.000 4.591 3.537 5.018 0.018 16 0 "[ . 1 . ]" 1
52 1 5 G H1' 1 6 A H1' 5.500 . 5.500 5.243 4.666 5.517 0.017 4 0 "[ . 1 . ]" 1
53 1 5 G H1' 1 18 A H2 6.000 . 6.000 6.051 6.002 6.130 0.130 14 0 "[ . 1 . ]" 1
54 1 5 G H2' 1 5 G H8 4.000 . 4.000 3.650 3.013 4.049 0.049 11 0 "[ . 1 . ]" 1
55 1 5 G H2' 1 6 A H8 4.000 . 4.000 3.595 2.968 4.037 0.037 9 0 "[ . 1 . ]" 1
56 1 5 G H3' 1 5 G H8 3.000 . 3.000 2.939 2.378 3.057 0.057 11 0 "[ . 1 . ]" 1
57 1 5 G H4' 1 5 G H8 5.000 . 5.000 4.368 3.986 4.653 . 0 0 "[ . 1 . ]" 1
58 1 5 G Q5' 1 5 G H8 5.000 . 5.000 3.129 2.168 4.198 . 0 0 "[ . 1 . ]" 1
59 1 6 A H1' 1 6 A H2 5.000 . 5.000 4.996 4.879 5.078 0.078 16 0 "[ . 1 . ]" 1
60 1 6 A H2 1 6 A H2' 5.000 . 5.000 4.054 3.864 4.246 . 0 0 "[ . 1 . ]" 1
61 1 6 A H2 1 7 A H2 5.000 . 5.000 4.317 3.623 4.959 . 0 0 "[ . 1 . ]" 1
62 1 6 A H2 1 7 A H8 5.500 . 5.500 4.857 4.486 5.069 . 0 0 "[ . 1 . ]" 1
63 1 6 A H2 1 7 A H1' 3.000 . 3.000 2.574 2.227 2.921 . 0 0 "[ . 1 . ]" 1
64 1 6 A H2 1 7 A H2' 5.000 . 5.000 4.920 4.637 5.104 0.104 17 0 "[ . 1 . ]" 1
65 1 6 A H2 1 18 A H2 4.500 . 4.500 4.249 3.803 4.549 0.049 14 0 "[ . 1 . ]" 1
66 1 6 A H2 1 18 A H1' 5.000 . 5.000 4.693 4.228 5.027 0.027 17 0 "[ . 1 . ]" 1
67 1 6 A H8 1 7 A H8 5.000 . 5.000 4.833 4.408 5.042 0.042 17 0 "[ . 1 . ]" 1
68 1 6 A H8 1 15 A H2 5.500 . 5.500 4.977 4.377 5.411 . 0 0 "[ . 1 . ]" 1
69 1 6 A H8 1 18 A H2 6.000 . 6.000 4.972 4.474 5.481 . 0 0 "[ . 1 . ]" 1
70 1 6 A H1' 1 6 A H8 5.000 . 5.000 3.559 3.445 3.665 . 0 0 "[ . 1 . ]" 1
71 1 6 A H1' 1 7 A H8 5.000 . 5.000 4.721 4.474 5.024 0.024 16 0 "[ . 1 . ]" 1
72 1 6 A H1' 1 7 A H1' 5.500 . 5.500 5.392 5.029 5.543 0.043 11 0 "[ . 1 . ]" 1
73 1 6 A H1' 1 18 A H2 4.000 . 4.000 3.162 2.256 3.855 . 0 0 "[ . 1 . ]" 1
74 1 6 A H2' 1 6 A H8 5.000 . 5.000 4.271 4.167 4.366 . 0 0 "[ . 1 . ]" 1
75 1 6 A H2' 1 7 A H8 3.000 . 3.000 2.193 2.084 2.612 . 0 0 "[ . 1 . ]" 1
76 1 6 A H2' 1 7 A H1' 4.000 . 4.000 3.353 3.099 3.690 . 0 0 "[ . 1 . ]" 1
77 1 6 A H2' 1 18 A H2 6.000 . 6.000 4.870 4.171 5.644 . 0 0 "[ . 1 . ]" 1
78 1 6 A H3' 1 6 A H8 5.000 . 5.000 3.755 3.149 4.459 . 0 0 "[ . 1 . ]" 1
79 1 6 A H3' 1 7 A H8 4.000 . 4.000 2.240 2.113 2.614 . 0 0 "[ . 1 . ]" 1
80 1 6 A H4' 1 6 A H8 5.000 . 5.000 4.485 4.260 4.637 . 0 0 "[ . 1 . ]" 1
81 1 6 A H4' 1 7 A H8 5.000 . 5.000 4.971 4.726 5.044 0.044 16 0 "[ . 1 . ]" 1
82 1 6 A Q5' 1 6 A H8 3.500 . 3.500 2.883 2.213 3.165 . 0 0 "[ . 1 . ]" 1
83 1 6 A Q5' 1 15 A H2 6.000 . 6.000 4.188 3.609 5.012 . 0 0 "[ . 1 . ]" 1
84 1 7 A H2 1 8 A H2 5.000 . 5.000 4.977 4.433 5.054 0.054 10 0 "[ . 1 . ]" 1
85 1 7 A H2 1 8 A H1' 4.500 . 4.500 3.405 2.619 3.965 . 0 0 "[ . 1 . ]" 1
86 1 7 A H2 1 8 A H2' 6.000 . 6.000 5.865 5.451 6.027 0.027 12 0 "[ . 1 . ]" 1
87 1 7 A H2 1 8 A H4' 6.000 . 6.000 4.689 4.042 5.650 . 0 0 "[ . 1 . ]" 1
88 1 7 A H8 1 8 A H8 4.000 . 4.000 4.023 3.783 4.216 0.216 17 0 "[ . 1 . ]" 1
89 1 7 A H2 1 18 A H1' 6.000 . 6.000 5.813 5.176 6.014 0.014 3 0 "[ . 1 . ]" 1
90 1 7 A H1' 1 7 A H2 5.000 . 5.000 4.857 4.671 5.000 0.000 5 0 "[ . 1 . ]" 1
91 1 7 A H1' 1 7 A H8 4.000 . 4.000 3.667 3.567 3.806 . 0 0 "[ . 1 . ]" 1
92 1 7 A H1' 1 8 A H8 5.000 . 5.000 4.646 3.344 5.016 0.016 16 0 "[ . 1 . ]" 1
93 1 7 A H2 1 7 A H2' 6.000 . 6.000 4.747 4.462 6.013 0.013 17 0 "[ . 1 . ]" 1
94 1 7 A H2' 1 7 A H8 4.000 . 4.000 3.873 2.778 4.045 0.045 10 0 "[ . 1 . ]" 1
95 1 7 A H2' 1 8 A H8 3.500 . 3.500 2.217 1.950 2.618 . 0 0 "[ . 1 . ]" 1
96 1 7 A H3' 1 7 A H8 4.000 . 4.000 3.710 2.747 4.066 0.066 16 0 "[ . 1 . ]" 1
97 1 7 A H3' 1 8 A H8 3.500 . 3.500 2.666 2.154 3.743 0.243 17 0 "[ . 1 . ]" 1
98 1 7 A H4' 1 7 A H8 5.000 . 5.000 4.503 4.298 4.748 . 0 0 "[ . 1 . ]" 1
99 1 7 A Q5' 1 7 A H8 5.000 . 5.000 3.371 2.380 3.932 . 0 0 "[ . 1 . ]" 1
100 1 8 A H2 1 9 U H1' 5.000 . 5.000 4.936 3.965 5.169 0.169 18 0 "[ . 1 . ]" 1
101 1 8 A H2 1 10 C H1' 6.000 . 6.000 9.828 3.565 12.848 6.848 2 16 "[*+*******1*-**** *]" 1
102 1 8 A H2 1 13 G H1' 6.000 . 6.000 9.288 7.262 11.799 5.799 18 18 [*****-***********+] 1
103 1 8 A H2 1 14 A H1' 5.000 . 5.000 3.973 2.623 5.022 0.022 17 0 "[ . 1 . ]" 1
104 1 8 A H8 1 9 U H6 5.000 . 5.000 4.954 4.215 5.178 0.178 8 0 "[ . 1 . ]" 1
105 1 8 A H8 1 9 U H5 5.000 . 5.000 4.557 3.270 5.161 0.161 15 0 "[ . 1 . ]" 1
106 1 8 A H1' 1 8 A H2 5.000 . 5.000 4.521 4.401 4.699 . 0 0 "[ . 1 . ]" 1
107 1 8 A H1' 1 8 A H8 4.000 . 4.000 3.819 3.682 3.888 . 0 0 "[ . 1 . ]" 1
108 1 8 A H1' 1 9 U H6 5.000 . 5.000 4.090 1.937 5.130 0.130 14 0 "[ . 1 . ]" 1
109 1 8 A H1' 1 14 A H2 5.000 . 5.000 4.781 2.744 5.086 0.086 15 0 "[ . 1 . ]" 1
110 1 8 A H2' 1 8 A H8 3.000 . 3.000 2.606 2.120 3.153 0.153 15 0 "[ . 1 . ]" 1
111 1 8 A H2' 1 9 U H6 5.000 . 5.000 2.842 2.130 4.543 . 0 0 "[ . 1 . ]" 1
112 1 8 A H2' 1 9 U H5 5.000 . 5.000 3.404 2.272 5.078 0.078 17 0 "[ . 1 . ]" 1
113 1 8 A H3' 1 8 A H8 3.500 . 3.500 3.573 3.509 3.678 0.178 8 0 "[ . 1 . ]" 1
114 1 8 A H3' 1 9 U H6 5.000 . 5.000 4.079 3.178 5.056 0.056 8 0 "[ . 1 . ]" 1
115 1 8 A H3' 1 9 U H5 5.000 . 5.000 4.181 3.066 5.330 0.330 18 0 "[ . 1 . ]" 1
116 1 8 A H4' 1 8 A H8 5.000 . 5.000 4.693 4.338 4.958 . 0 0 "[ . 1 . ]" 1
117 1 8 A Q5' 1 8 A H8 5.000 . 5.000 3.777 2.378 4.318 . 0 0 "[ . 1 . ]" 1
118 1 9 U H6 1 10 C H5 5.000 . 5.000 3.807 2.385 4.279 . 0 0 "[ . 1 . ]" 1
119 1 9 U H6 1 10 C H6 5.000 . 5.000 4.635 3.109 5.095 0.095 8 0 "[ . 1 . ]" 1
120 1 9 U H5 1 14 A H2 7.000 . 7.000 5.828 3.952 7.797 0.797 11 2 "[ - . 1+ . ]" 1
121 1 9 U H1' 1 9 U H5 5.500 . 5.500 5.315 4.505 5.403 . 0 0 "[ . 1 . ]" 1
122 1 9 U H1' 1 9 U H6 3.500 . 3.500 3.538 2.324 3.662 0.162 5 0 "[ . 1 . ]" 1
123 1 9 U H1' 1 10 C H6 5.000 . 5.000 4.482 2.331 5.090 0.090 15 0 "[ . 1 . ]" 1
124 1 9 U H1' 1 14 A H2 5.000 . 5.000 3.821 2.172 5.043 0.043 17 0 "[ . 1 . ]" 1
125 1 9 U H2' 1 9 U H5 5.000 . 5.000 4.397 3.930 4.623 . 0 0 "[ . 1 . ]" 1
126 1 9 U H2' 1 9 U H6 3.000 . 3.000 2.627 1.983 3.071 0.071 9 0 "[ . 1 . ]" 1
127 1 9 U H3' 1 9 U H6 4.000 . 4.000 2.650 2.078 3.972 . 0 0 "[ . 1 . ]" 1
128 1 9 U H3' 1 9 U H5 5.000 . 5.000 4.717 4.177 5.156 0.156 18 0 "[ . 1 . ]" 1
129 1 9 U H3' 1 10 C H6 4.000 . 4.000 3.467 2.617 4.199 0.199 15 0 "[ . 1 . ]" 1
130 1 9 U H3' 1 10 C H5 5.000 . 5.000 3.631 2.155 5.009 0.009 5 0 "[ . 1 . ]" 1
131 1 9 U H4' 1 9 U H6 5.000 . 5.000 4.024 3.707 5.317 0.317 18 0 "[ . 1 . ]" 1
132 1 9 U Q5' 1 9 U H6 5.000 . 5.000 2.638 2.062 4.620 . 0 0 "[ . 1 . ]" 1
133 1 9 U H5 1 9 U Q5' 6.000 . 6.000 4.199 3.457 5.417 . 0 0 "[ . 1 . ]" 1
134 1 10 C H5 1 14 A H2 5.000 . 5.000 6.197 2.760 9.208 4.208 6 11 "[ ****+ -*1* ** * ]" 1
135 1 10 C H1' 1 10 C H6 3.500 . 3.500 3.590 3.525 3.662 0.162 7 0 "[ . 1 . ]" 1
136 1 10 C H1' 1 11 C H6 5.000 . 5.000 8.012 4.635 10.944 5.944 15 16 "[****.*-***** *+***]" 1
137 1 10 C H2' 1 10 C H5 5.000 . 5.000 4.845 4.192 5.089 0.089 12 0 "[ . 1 . ]" 1
138 1 10 C H2' 1 10 C H6 4.000 . 4.000 3.280 2.090 3.816 . 0 0 "[ . 1 . ]" 1
139 1 10 C H2' 1 11 C H6 4.000 . 4.000 7.571 3.676 9.586 5.586 11 17 "[**********+* **-**]" 1
140 1 10 C H2' 1 11 C H5 5.000 . 5.000 8.349 3.790 10.637 5.637 17 16 "[************ ** +-]" 1
141 1 10 C H3' 1 10 C H6 4.000 . 4.000 2.771 2.136 3.267 . 0 0 "[ . 1 . ]" 1
142 1 10 C H3' 1 10 C H5 5.000 . 5.000 4.728 4.389 4.994 . 0 0 "[ . 1 . ]" 1
143 1 10 C H3' 1 11 C H6 4.000 . 4.000 7.352 5.375 10.330 6.330 11 18 [**********+-******] 1
144 1 10 C H3' 1 11 C H5 5.000 . 5.000 8.155 5.631 11.015 6.015 11 18 [**********+******-] 1
145 1 10 C Q5' 1 10 C H6 5.000 . 5.000 2.466 2.169 3.075 . 0 0 "[ . 1 . ]" 1
146 1 10 C H5 1 10 C Q5' 5.000 . 5.000 4.346 3.587 4.480 . 0 0 "[ . 1 . ]" 1
147 1 11 C H6 1 12 C H6 5.000 . 5.000 3.360 2.588 3.860 . 0 0 "[ . 1 . ]" 1
148 1 11 C H5 1 12 C H6 6.000 . 6.000 4.674 4.052 5.036 . 0 0 "[ . 1 . ]" 1
149 1 11 C H6 1 13 G H8 5.000 . 5.000 5.282 2.582 7.112 2.112 3 9 "[* +*** * *- *]" 1
150 1 11 C H6 1 13 G H1' 7.000 . 7.000 6.831 4.502 9.668 2.668 15 8 "[* **.* 1 +*-*]" 1
151 1 11 C H5 1 13 G H8 5.000 . 5.000 6.465 3.336 8.895 3.895 6 12 "[* ***+- *** ** *]" 1
152 1 11 C H1' 1 11 C H5 5.000 . 5.000 5.132 4.915 5.287 0.287 14 0 "[ . 1 . ]" 1
153 1 11 C H1' 1 11 C H6 5.000 . 5.000 3.328 2.864 3.648 . 0 0 "[ . 1 . ]" 1
154 1 11 C H1' 1 12 C H6 5.000 . 5.000 4.696 2.959 5.116 0.116 9 0 "[ . 1 . ]" 1
155 1 11 C H1' 1 12 C H5 5.000 . 5.000 4.124 2.145 5.045 0.045 17 0 "[ . 1 . ]" 1
156 1 11 C H1' 1 13 G H8 5.000 . 5.000 6.501 4.005 7.932 2.932 16 16 "[**-** * *******+**]" 1
157 1 11 C H2' 1 11 C H6 4.000 . 4.000 2.068 1.922 2.158 . 0 0 "[ . 1 . ]" 1
158 1 11 C H2' 1 12 C H6 5.000 . 5.000 2.337 2.069 2.609 . 0 0 "[ . 1 . ]" 1
159 1 11 C H2' 1 12 C H5 5.000 . 5.000 2.702 2.242 3.468 . 0 0 "[ . 1 . ]" 1
160 1 11 C H2' 1 13 G H8 5.000 . 5.000 4.389 2.969 5.209 0.209 16 0 "[ . 1 . ]" 1
161 1 11 C H3' 1 11 C H6 4.000 . 4.000 2.887 2.139 3.775 . 0 0 "[ . 1 . ]" 1
162 1 11 C H3' 1 11 C H5 5.000 . 5.000 4.760 4.418 5.106 0.106 16 0 "[ . 1 . ]" 1
163 1 11 C H3' 1 12 C H6 5.000 . 5.000 3.538 2.403 4.436 . 0 0 "[ . 1 . ]" 1
164 1 11 C H3' 1 12 C H5 5.000 . 5.000 3.794 2.115 5.001 0.001 15 0 "[ . 1 . ]" 1
165 1 11 C H3' 1 13 G H8 5.000 . 5.000 4.852 2.493 6.632 1.632 3 6 "[* +*.* 1 - *]" 1
166 1 11 C Q5' 1 11 C H6 5.000 . 5.000 3.045 1.982 4.467 . 0 0 "[ . 1 . ]" 1
167 1 11 C Q5' 1 12 C H5 5.000 . 5.000 4.198 2.443 4.557 . 0 0 "[ . 1 . ]" 1
168 1 11 C H1' 1 12 C Q5' 6.000 . 6.000 4.118 3.538 4.488 . 0 0 "[ . 1 . ]" 1
169 1 12 C H1' 1 12 C H5 6.000 . 6.000 5.394 5.321 5.436 . 0 0 "[ . 1 . ]" 1
170 1 12 C H1' 1 12 C H6 4.000 . 4.000 3.678 3.536 3.738 . 0 0 "[ . 1 . ]" 1
171 1 12 C H1' 1 13 G H8 5.000 . 5.000 4.695 2.349 5.287 0.287 5 0 "[ . 1 . ]" 1
172 1 12 C H1' 1 13 G Q5' 5.000 . 5.000 4.301 2.732 4.625 . 0 0 "[ . 1 . ]" 1
173 1 12 C H2' 1 12 C H5 5.000 . 5.000 4.291 4.019 4.924 . 0 0 "[ . 1 . ]" 1
174 1 12 C H2' 1 12 C H6 3.500 . 3.500 2.483 2.099 3.603 0.103 7 0 "[ . 1 . ]" 1
175 1 12 C H2' 1 13 G H8 5.000 . 5.000 3.887 2.510 5.021 0.021 6 0 "[ . 1 . ]" 1
176 1 12 C H3' 1 12 C H5 5.000 . 5.000 5.033 4.573 5.222 0.222 17 0 "[ . 1 . ]" 1
177 1 12 C H3' 1 12 C H6 5.000 . 5.000 2.809 2.316 3.445 . 0 0 "[ . 1 . ]" 1
178 1 12 C H3' 1 13 G H8 5.000 . 5.000 3.142 2.084 4.975 . 0 0 "[ . 1 . ]" 1
179 1 12 C H4' 1 12 C H6 5.000 . 5.000 4.026 3.753 4.320 . 0 0 "[ . 1 . ]" 1
180 1 12 C Q5' 1 12 C H6 5.000 . 5.000 2.224 1.863 3.165 . 0 0 "[ . 1 . ]" 1
181 1 12 C Q5' 1 13 G H8 5.000 . 5.000 2.557 1.891 3.435 . 0 0 "[ . 1 . ]" 1
182 1 12 C Q5' 1 13 G H1' 6.000 . 6.000 4.193 2.278 4.663 . 0 0 "[ . 1 . ]" 1
183 1 13 G H8 1 14 A H8 5.000 . 5.000 4.885 4.340 5.064 0.064 14 0 "[ . 1 . ]" 1
184 1 13 G H8 1 14 A H2' 7.000 . 7.000 8.074 6.892 8.862 1.862 14 17 "[* ****-******+****]" 1
185 1 13 G H1' 1 13 G H8 3.000 . 3.000 2.951 2.654 3.158 0.158 15 0 "[ . 1 . ]" 1
186 1 13 G H1' 1 14 A H8 5.000 . 5.000 3.495 2.171 4.585 . 0 0 "[ . 1 . ]" 1
187 1 13 G H1' 1 14 A H2' 7.000 . 7.000 6.375 4.813 7.056 0.056 7 0 "[ . 1 . ]" 1
188 1 13 G H2' 1 13 G H8 5.000 . 5.000 3.863 2.373 4.618 . 0 0 "[ . 1 . ]" 1
189 1 13 G H2' 1 14 A H8 4.000 . 4.000 3.060 2.131 4.038 0.038 16 0 "[ . 1 . ]" 1
190 1 13 G H3' 1 13 G H8 4.000 . 4.000 4.926 4.697 5.085 1.085 7 18 [******+*******-***] 1
191 1 13 G H3' 1 14 A H8 4.000 . 4.000 3.740 2.546 4.183 0.183 10 0 "[ . 1 . ]" 1
192 1 13 G Q5' 1 14 A H8 6.000 . 6.000 4.907 3.878 5.432 . 0 0 "[ . 1 . ]" 1
193 1 14 A H2 1 15 A H8 6.000 . 6.000 5.969 5.096 6.120 0.120 13 0 "[ . 1 . ]" 1
194 1 14 A H1' 1 14 A H2 5.000 . 5.000 4.651 4.536 4.858 . 0 0 "[ . 1 . ]" 1
195 1 14 A H1' 1 14 A H8 4.000 . 4.000 3.777 3.658 3.841 . 0 0 "[ . 1 . ]" 1
196 1 14 A H1' 1 15 A H8 5.000 . 5.000 5.039 4.956 5.106 0.106 17 0 "[ . 1 . ]" 1
197 1 14 A H2' 1 14 A H8 4.000 . 4.000 3.519 3.229 4.023 0.023 9 0 "[ . 1 . ]" 1
198 1 14 A H2' 1 15 A H8 4.000 . 4.000 2.945 2.494 3.458 . 0 0 "[ . 1 . ]" 1
199 1 14 A H3' 1 14 A H8 4.000 . 4.000 3.889 3.400 4.112 0.112 5 0 "[ . 1 . ]" 1
200 1 14 A H3' 1 15 A H8 4.000 . 4.000 3.976 3.680 4.098 0.098 13 0 "[ . 1 . ]" 1
201 1 14 A H3' 1 15 A H1' 6.000 . 6.000 5.464 4.911 6.066 0.066 6 0 "[ . 1 . ]" 1
202 1 14 A H4' 1 14 A H8 5.000 . 5.000 4.396 4.113 4.620 . 0 0 "[ . 1 . ]" 1
203 1 14 A Q5' 1 14 A H8 5.000 . 5.000 2.758 2.126 3.895 . 0 0 "[ . 1 . ]" 1
204 1 15 A H2 1 17 U H5 5.500 . 5.500 4.495 3.855 5.095 . 0 0 "[ . 1 . ]" 1
205 1 15 A H8 1 17 U H5 6.000 . 6.000 5.345 5.100 5.919 . 0 0 "[ . 1 . ]" 1
206 1 15 A H8 1 17 U H1' 3.000 . 3.000 2.940 2.762 3.110 0.110 13 0 "[ . 1 . ]" 1
207 1 15 A H8 1 17 U H2' 5.000 . 5.000 5.016 4.850 5.051 0.051 1 0 "[ . 1 . ]" 1
208 1 15 A H1' 1 15 A H8 4.000 . 4.000 3.897 3.862 3.932 . 0 0 "[ . 1 . ]" 1
209 1 15 A H1' 1 15 A H2 5.000 . 5.000 4.475 4.432 4.539 . 0 0 "[ . 1 . ]" 1
210 1 15 A H1' 1 16 G H1' 5.000 . 5.000 3.407 2.705 3.825 . 0 0 "[ . 1 . ]" 1
211 1 15 A H1' 1 16 G H4' 3.000 . 3.000 2.907 2.566 3.034 0.034 6 0 "[ . 1 . ]" 1
212 1 15 A H1' 1 16 G Q5' 6.000 . 6.000 4.371 3.492 4.953 . 0 0 "[ . 1 . ]" 1
213 1 15 A H1' 1 17 U H5 3.500 . 3.500 3.356 2.808 3.507 0.007 13 0 "[ . 1 . ]" 1
214 1 15 A H1' 1 17 U H6 3.500 . 3.500 3.401 2.825 3.552 0.052 14 0 "[ . 1 . ]" 1
215 1 15 A H1' 1 17 U H1' 5.000 . 5.000 4.954 4.014 5.091 0.091 3 0 "[ . 1 . ]" 1
216 1 15 A H2 1 15 A H2' 7.000 . 7.000 6.424 5.993 6.664 . 0 0 "[ . 1 . ]" 1
217 1 15 A H2' 1 15 A H8 4.000 . 4.000 2.640 2.399 2.978 . 0 0 "[ . 1 . ]" 1
218 1 15 A H3' 1 15 A H8 5.000 . 5.000 4.431 4.228 4.671 . 0 0 "[ . 1 . ]" 1
219 1 15 A H4' 1 15 A H8 5.000 . 5.000 4.541 4.206 4.840 . 0 0 "[ . 1 . ]" 1
220 1 15 A H4' 1 17 U H6 4.000 . 4.000 3.139 2.827 3.861 . 0 0 "[ . 1 . ]" 1
221 1 15 A H4' 1 17 U H1' 4.000 . 4.000 3.767 2.679 4.070 0.070 14 0 "[ . 1 . ]" 1
222 1 15 A Q5' 1 15 A H8 4.000 . 4.000 2.198 1.954 2.556 . 0 0 "[ . 1 . ]" 1
223 1 15 A Q5' 1 17 U H6 5.000 . 5.000 3.520 3.045 4.502 . 0 0 "[ . 1 . ]" 1
224 1 15 A Q5' 1 17 U H1' 3.000 . 3.000 1.956 1.880 2.484 . 0 0 "[ . 1 . ]" 1
225 1 16 G H8 1 17 U H5 6.000 . 6.000 5.890 5.542 6.016 0.016 5 0 "[ . 1 . ]" 1
226 1 16 G H1' 1 16 G H8 4.000 . 4.000 3.873 3.852 3.890 . 0 0 "[ . 1 . ]" 1
227 1 16 G H1' 1 17 U H6 3.500 . 3.500 3.107 2.199 3.514 0.014 3 0 "[ . 1 . ]" 1
228 1 16 G H2' 1 16 G H8 3.500 . 3.500 2.319 2.149 2.838 . 0 0 "[ . 1 . ]" 1
229 1 16 G H3' 1 16 G H8 5.000 . 5.000 4.147 3.254 4.367 . 0 0 "[ . 1 . ]" 1
230 1 16 G H3' 1 17 U H6 5.000 . 5.000 4.880 4.642 5.079 0.079 13 0 "[ . 1 . ]" 1
231 1 16 G H4' 1 16 G H8 5.000 . 5.000 5.001 4.868 5.052 0.052 17 0 "[ . 1 . ]" 1
232 1 16 G H4' 1 17 U H6 3.500 . 3.500 3.271 2.940 3.527 0.027 16 0 "[ . 1 . ]" 1
233 1 16 G H4' 1 17 U H5 5.000 . 5.000 4.160 3.697 4.696 . 0 0 "[ . 1 . ]" 1
234 1 16 G Q5' 1 16 G H8 5.000 . 5.000 3.637 3.332 3.912 . 0 0 "[ . 1 . ]" 1
235 1 17 U H1' 1 17 U H5 5.500 . 5.500 5.191 5.151 5.235 . 0 0 "[ . 1 . ]" 1
236 1 17 U H1' 1 17 U H6 4.000 . 4.000 3.373 3.291 3.432 . 0 0 "[ . 1 . ]" 1
237 1 17 U H1' 1 18 A H8 5.000 . 5.000 4.726 4.576 4.992 . 0 0 "[ . 1 . ]" 1
238 1 17 U H2' 1 17 U H6 5.000 . 5.000 4.208 4.103 4.317 . 0 0 "[ . 1 . ]" 1
239 1 17 U H2' 1 18 A H8 3.000 . 3.000 2.283 2.175 2.596 . 0 0 "[ . 1 . ]" 1
240 1 17 U H3' 1 17 U H6 4.000 . 4.000 3.636 3.448 3.861 . 0 0 "[ . 1 . ]" 1
241 1 17 U H3' 1 18 A H8 4.000 . 4.000 2.853 2.223 3.465 . 0 0 "[ . 1 . ]" 1
242 1 17 U H4' 1 17 U H6 5.000 . 5.000 4.126 3.989 4.234 . 0 0 "[ . 1 . ]" 1
243 1 17 U Q5' 1 17 U H6 4.000 . 4.000 2.755 2.159 3.611 . 0 0 "[ . 1 . ]" 1
244 1 17 U H6 1 18 A H8 5.000 . 5.000 4.947 4.758 5.058 0.058 8 0 "[ . 1 . ]" 1
245 1 18 A H2 1 19 G H1' 4.000 . 4.000 2.626 2.330 3.246 . 0 0 "[ . 1 . ]" 1
246 1 18 A H2 1 19 G H4' 5.000 . 5.000 5.033 5.008 5.103 0.103 14 0 "[ . 1 . ]" 1
247 1 18 A H8 1 19 G H8 5.000 . 5.000 4.927 4.286 5.034 0.034 4 0 "[ . 1 . ]" 1
248 1 18 A H1' 1 18 A H8 5.000 . 5.000 3.703 3.629 3.761 . 0 0 "[ . 1 . ]" 1
249 1 18 A H1' 1 18 A H2 5.500 . 5.500 4.797 4.704 4.922 . 0 0 "[ . 1 . ]" 1
250 1 18 A H1' 1 19 G H8 5.000 . 5.000 4.967 4.888 5.040 0.040 11 0 "[ . 1 . ]" 1
251 1 18 A H2' 1 18 A H8 5.000 . 5.000 3.926 3.749 4.110 . 0 0 "[ . 1 . ]" 1
252 1 18 A H2 1 18 A H2' 6.000 . 6.000 4.670 4.379 4.954 . 0 0 "[ . 1 . ]" 1
253 1 18 A H2' 1 19 G H8 3.500 . 3.500 2.224 2.169 2.411 . 0 0 "[ . 1 . ]" 1
254 1 18 A H3' 1 18 A H8 5.000 . 5.000 3.458 3.157 3.844 . 0 0 "[ . 1 . ]" 1
255 1 18 A H3' 1 19 G H8 3.500 . 3.500 2.592 2.169 3.056 . 0 0 "[ . 1 . ]" 1
256 1 18 A H4' 1 18 A H8 5.000 . 5.000 4.468 4.305 4.607 . 0 0 "[ . 1 . ]" 1
257 1 18 A H4' 1 19 G H8 5.500 . 5.500 5.195 4.862 5.474 . 0 0 "[ . 1 . ]" 1
258 1 18 A Q5' 1 18 A H8 5.000 . 5.000 3.552 2.675 4.142 . 0 0 "[ . 1 . ]" 1
259 1 19 G H8 1 20 G H8 5.500 . 5.500 3.965 3.511 5.003 . 0 0 "[ . 1 . ]" 1
260 1 19 G H1' 1 19 G H8 5.000 . 5.000 3.793 3.732 3.823 . 0 0 "[ . 1 . ]" 1
261 1 19 G H1' 1 20 G H8 4.000 . 4.000 4.055 3.905 4.110 0.110 16 0 "[ . 1 . ]" 1
262 1 19 G H2' 1 19 G H8 5.000 . 5.000 3.687 3.045 3.883 . 0 0 "[ . 1 . ]" 1
263 1 19 G H2' 1 20 G H8 3.000 . 3.000 2.110 1.901 2.161 . 0 0 "[ . 1 . ]" 1
264 1 19 G H3' 1 19 G H8 3.500 . 3.500 3.031 2.742 3.617 0.117 12 0 "[ . 1 . ]" 1
265 1 19 G H3' 1 20 G H8 3.500 . 3.500 3.533 3.392 3.688 0.188 3 0 "[ . 1 . ]" 1
266 1 19 G H4' 1 19 G H8 5.000 . 5.000 4.375 4.217 4.655 . 0 0 "[ . 1 . ]" 1
267 1 19 G Q5' 1 19 G H8 5.000 . 5.000 3.294 2.276 4.230 . 0 0 "[ . 1 . ]" 1
268 1 20 G H8 1 21 C H5 5.000 . 5.000 3.730 2.971 4.306 . 0 0 "[ . 1 . ]" 1
269 1 20 G H8 1 21 C H6 5.000 . 5.000 4.668 3.905 5.023 0.023 18 0 "[ . 1 . ]" 1
270 1 20 G H1' 1 20 G H8 4.000 . 4.000 3.690 3.455 3.887 . 0 0 "[ . 1 . ]" 1
271 1 20 G H1' 1 21 C H5 5.000 . 5.000 4.875 4.017 5.118 0.118 11 0 "[ . 1 . ]" 1
272 1 20 G H1' 1 21 C H6 4.000 . 4.000 3.936 3.094 4.180 0.180 14 0 "[ . 1 . ]" 1
273 1 20 G H2' 1 20 G H8 5.000 . 5.000 3.699 2.830 4.436 . 0 0 "[ . 1 . ]" 1
274 1 20 G H2' 1 21 C H6 3.000 . 3.000 2.123 1.926 2.555 . 0 0 "[ . 1 . ]" 1
275 1 20 G H2' 1 21 C H5 5.000 . 5.000 3.296 2.343 4.048 . 0 0 "[ . 1 . ]" 1
276 1 20 G H3' 1 20 G H8 4.000 . 4.000 3.958 3.801 4.052 0.052 2 0 "[ . 1 . ]" 1
277 1 20 G H3' 1 21 C H6 5.000 . 5.000 3.526 2.087 4.436 . 0 0 "[ . 1 . ]" 1
278 1 20 G H3' 1 21 C H5 5.000 . 5.000 4.449 3.421 5.019 0.019 1 0 "[ . 1 . ]" 1
279 1 20 G H4' 1 20 G H8 5.000 . 5.000 4.630 4.387 4.867 . 0 0 "[ . 1 . ]" 1
280 1 20 G Q5' 1 20 G H8 5.000 . 5.000 3.706 2.524 4.479 . 0 0 "[ . 1 . ]" 1
281 1 21 C H5 1 22 C H5 5.000 . 5.000 4.349 2.885 5.023 0.023 18 0 "[ . 1 . ]" 1
282 1 21 C H1' 1 21 C H6 4.000 . 4.000 3.434 3.215 3.541 . 0 0 "[ . 1 . ]" 1
283 1 21 C H1' 1 21 C H5 5.000 . 5.000 5.168 5.043 5.233 0.233 9 0 "[ . 1 . ]" 1
284 1 21 C H1' 1 22 C H6 4.000 . 4.000 4.041 3.968 4.158 0.158 7 0 "[ . 1 . ]" 1
285 1 21 C H1' 1 22 C H5 5.000 . 5.000 4.643 4.252 5.056 0.056 14 0 "[ . 1 . ]" 1
286 1 21 C H2' 1 21 C H6 5.000 . 5.000 3.668 3.249 4.380 . 0 0 "[ . 1 . ]" 1
287 1 21 C H2' 1 22 C H6 3.000 . 3.000 2.144 1.996 2.305 . 0 0 "[ . 1 . ]" 1
288 1 21 C H3' 1 21 C H6 5.000 . 5.000 3.991 3.210 4.432 . 0 0 "[ . 1 . ]" 1
289 1 21 C H3' 1 22 C H6 5.000 . 5.000 3.552 2.118 4.101 . 0 0 "[ . 1 . ]" 1
290 1 21 C H4' 1 21 C H6 5.000 . 5.000 4.252 3.951 4.363 . 0 0 "[ . 1 . ]" 1
291 1 21 C Q5' 1 21 C H6 5.000 . 5.000 3.608 2.322 4.256 . 0 0 "[ . 1 . ]" 1
292 1 22 C H1' 1 22 C H6 4.000 . 4.000 3.542 3.384 3.729 . 0 0 "[ . 1 . ]" 1
293 1 22 C H2' 1 22 C H5 6.000 . 6.000 5.139 4.287 5.409 . 0 0 "[ . 1 . ]" 1
294 1 22 C H2' 1 22 C H6 4.000 . 4.000 3.678 2.395 4.030 0.030 10 0 "[ . 1 . ]" 1
295 1 22 C H3' 1 22 C H5 6.000 . 6.000 5.052 4.359 6.015 0.015 16 0 "[ . 1 . ]" 1
296 1 22 C H3' 1 22 C H6 4.000 . 4.000 3.175 2.279 3.990 . 0 0 "[ . 1 . ]" 1
297 1 22 C H4' 1 22 C H6 5.000 . 5.000 4.174 3.870 4.475 . 0 0 "[ . 1 . ]" 1
298 1 22 C Q5' 1 22 C H6 5.000 . 5.000 3.231 2.210 4.116 . 0 0 "[ . 1 . ]" 1
299 1 1 G H1 1 2 G H1 5.000 . 5.000 3.477 3.193 3.747 . 0 0 "[ . 1 . ]" 1
300 1 1 G H1 1 22 C H5 6.000 . 6.000 4.807 4.679 5.006 . 0 0 "[ . 1 . ]" 1
301 1 2 G H1 1 3 C H1' 5.000 . 5.000 4.470 3.802 5.035 0.035 10 0 "[ . 1 . ]" 1
302 1 2 G H1 1 20 G H1 5.000 . 5.000 3.589 3.359 3.873 . 0 0 "[ . 1 . ]" 1
303 1 2 G H1 1 21 C H5 6.000 . 6.000 5.203 4.775 5.498 . 0 0 "[ . 1 . ]" 1
304 1 2 G H1 1 22 C H5 5.000 . 5.000 4.506 4.040 5.007 0.007 9 0 "[ . 1 . ]" 1
305 1 2 G H1 1 22 C H1' 5.000 . 5.000 4.893 4.413 5.028 0.028 18 0 "[ . 1 . ]" 1
306 1 3 C H5 1 20 G H1 6.000 . 6.000 5.487 5.016 5.694 . 0 0 "[ . 1 . ]" 1
307 1 3 C H2' 1 20 G H1 6.000 . 6.000 5.041 4.333 5.476 . 0 0 "[ . 1 . ]" 1
308 1 4 C H5 1 20 G H1 5.000 . 5.000 4.252 3.778 5.032 0.032 12 0 "[ . 1 . ]" 1
309 1 4 C H1' 1 20 G H1 5.000 . 5.000 4.966 4.815 5.041 0.041 7 0 "[ . 1 . ]" 1
310 1 20 G H1 1 21 C H1' 5.000 . 5.000 4.804 4.062 5.046 0.046 16 0 "[ . 1 . ]" 1
311 1 19 G H1 1 20 G H1 5.000 . 5.000 3.771 3.470 4.093 . 0 0 "[ . 1 . ]" 1
312 1 4 C H5 1 19 G H1 6.000 . 6.000 5.261 5.060 5.526 . 0 0 "[ . 1 . ]" 1
313 1 4 C H2' 1 19 G H1 6.000 . 6.000 5.795 5.606 5.979 . 0 0 "[ . 1 . ]" 1
314 1 19 G H1 1 20 G H1' 5.000 . 5.000 4.899 4.357 5.081 0.081 3 0 "[ . 1 . ]" 1
315 1 5 G H1' 1 19 G H1 5.000 . 5.000 3.826 3.290 4.493 . 0 0 "[ . 1 . ]" 1
316 1 5 G H1 1 16 G H1' 5.000 . 5.000 3.636 3.023 4.359 . 0 0 "[ . 1 . ]" 1
317 1 5 G H1 1 17 U H5 5.000 . 5.000 3.303 2.611 4.014 . 0 0 "[ . 1 . ]" 1
318 1 5 G H1 1 17 U H6 5.000 . 5.000 4.447 4.119 5.003 0.003 17 0 "[ . 1 . ]" 1
319 1 5 G H1 1 19 G H1 6.000 . 6.000 5.820 5.439 6.035 0.035 6 0 "[ . 1 . ]" 1
320 1 5 G H2' 1 16 G H1 4.000 . 4.000 3.455 2.716 4.020 0.020 16 0 "[ . 1 . ]" 1
321 1 5 G H3' 1 16 G H1 4.000 . 4.000 3.521 2.203 4.025 0.025 17 0 "[ . 1 . ]" 1
322 1 5 G H8 1 16 G H1 5.000 . 5.000 3.622 2.957 4.330 . 0 0 "[ . 1 . ]" 1
323 1 15 A H2 1 16 G H1 5.000 . 5.000 4.528 3.978 5.021 0.021 17 0 "[ . 1 . ]" 1
324 1 6 A H8 1 17 U H3 3.500 . 3.500 3.470 3.251 3.548 0.048 11 0 "[ . 1 . ]" 1
325 1 15 A H2 1 17 U H3 6.000 . 6.000 5.626 5.058 6.023 0.023 7 0 "[ . 1 . ]" 1
326 1 15 A H8 1 17 U H3 5.000 . 5.000 4.434 3.803 4.766 . 0 0 "[ . 1 . ]" 1
327 1 15 A Q5' 1 17 U H3 6.000 . 6.000 5.456 5.421 5.516 . 0 0 "[ . 1 . ]" 1
328 1 17 U H2' 1 17 U H3 6.000 . 6.000 4.098 4.059 4.191 . 0 0 "[ . 1 . ]" 1
329 1 17 U H3 1 18 A H1' 5.000 . 5.000 4.550 4.274 5.032 0.032 5 0 "[ . 1 . ]" 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 23
_Distance_constraint_stats_list.Viol_count 8
_Distance_constraint_stats_list.Viol_total 0.943
_Distance_constraint_stats_list.Viol_max 0.018
_Distance_constraint_stats_list.Viol_rms 0.0012
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0066
_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 0.000 0.000 . 0 "[ . 1 . ]"
1 2 G 0.016 0.011 17 0 "[ . 1 . ]"
1 3 C 0.036 0.018 16 0 "[ . 1 . ]"
1 4 C 0.000 0.000 . 0 "[ . 1 . ]"
1 5 G 0.000 0.000 . 0 "[ . 1 . ]"
1 6 A 0.000 0.000 . 0 "[ . 1 . ]"
1 7 A 0.000 0.000 . 0 "[ . 1 . ]"
1 15 A 0.000 0.000 . 0 "[ . 1 . ]"
1 16 G 0.000 0.000 . 0 "[ . 1 . ]"
1 17 U 0.000 0.000 . 0 "[ . 1 . ]"
1 18 A 0.000 0.000 . 0 "[ . 1 . ]"
1 19 G 0.000 0.000 . 0 "[ . 1 . ]"
1 20 G 0.036 0.018 16 0 "[ . 1 . ]"
1 21 C 0.016 0.011 17 0 "[ . 1 . ]"
1 22 C 0.000 0.000 . 0 "[ . 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 G N1 1 22 C N3 3.300 . 3.300 2.704 2.529 2.971 . 0 0 "[ . 1 . ]" 2
2 1 1 G O6 1 22 C N4 3.300 . 3.300 2.882 2.427 3.270 . 0 0 "[ . 1 . ]" 2
3 1 1 G N2 1 22 C O2 3.300 . 3.300 2.412 2.318 2.715 . 0 0 "[ . 1 . ]" 2
4 1 2 G H1 1 21 C N3 2.300 . 2.300 2.121 1.821 2.291 . 0 0 "[ . 1 . ]" 2
5 1 2 G N1 1 21 C N3 3.300 . 3.300 3.095 2.819 3.297 . 0 0 "[ . 1 . ]" 2
6 1 2 G O6 1 21 C N4 3.300 . 3.300 2.951 2.417 3.301 0.001 3 0 "[ . 1 . ]" 2
7 1 2 G N2 1 21 C O2 3.300 . 3.300 3.143 2.710 3.311 0.011 17 0 "[ . 1 . ]" 2
8 1 3 C N3 1 20 G H1 2.300 . 2.300 2.160 1.827 2.318 0.018 16 0 "[ . 1 . ]" 2
9 1 3 C N3 1 20 G N1 3.300 . 3.300 3.090 2.819 3.304 0.004 6 0 "[ . 1 . ]" 2
10 1 3 C N4 1 20 G O6 3.300 . 3.300 3.001 2.431 3.257 . 0 0 "[ . 1 . ]" 2
11 1 3 C O2 1 20 G N2 3.300 . 3.300 3.093 2.745 3.262 . 0 0 "[ . 1 . ]" 2
12 1 4 C N3 1 19 G H1 2.300 . 2.300 1.917 1.766 2.139 . 0 0 "[ . 1 . ]" 2
13 1 4 C N3 1 19 G N1 3.300 . 3.300 2.898 2.775 3.060 . 0 0 "[ . 1 . ]" 2
14 1 4 C N4 1 19 G O6 3.300 . 3.300 3.224 2.879 3.277 . 0 0 "[ . 1 . ]" 2
15 1 4 C O2 1 19 G N2 3.300 . 3.300 2.474 2.272 2.818 . 0 0 "[ . 1 . ]" 2
16 1 5 G N3 1 18 A N6 3.300 . 3.300 2.401 2.319 2.579 . 0 0 "[ . 1 . ]" 2
17 1 5 G N2 1 18 A N7 3.300 . 3.300 2.450 2.373 2.713 . 0 0 "[ . 1 . ]" 2
18 1 6 A N7 1 17 U H3 2.300 . 2.300 1.992 1.797 2.165 . 0 0 "[ . 1 . ]" 2
19 1 6 A N7 1 17 U N3 3.300 . 3.300 2.895 2.564 3.091 . 0 0 "[ . 1 . ]" 2
20 1 6 A N6 1 17 U O2 3.300 . 3.300 2.882 2.399 3.279 . 0 0 "[ . 1 . ]" 2
21 1 16 G N2 1 17 U O4 3.300 . 3.300 3.050 2.511 3.292 . 0 0 "[ . 1 . ]" 2
22 1 7 A N7 1 15 A N6 3.300 . 3.300 2.455 2.358 2.757 . 0 0 "[ . 1 . ]" 2
23 1 7 A N6 1 15 A N7 3.300 . 3.300 2.893 2.375 3.209 . 0 0 "[ . 1 . ]" 2
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