NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
578403 |
2m6v   |
19158 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m6v
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 148
_Distance_constraint_stats_list.Viol_count 138
_Distance_constraint_stats_list.Viol_total 40.100
_Distance_constraint_stats_list.Viol_max 0.131
_Distance_constraint_stats_list.Viol_rms 0.0123
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0027
_Distance_constraint_stats_list.Viol_average_violations_only 0.0291
_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 DG 0.616 0.076 9 0 "[ . 1]"
1 2 DG 0.086 0.015 9 0 "[ . 1]"
1 4 DT 0.000 0.000 . 0 "[ . 1]"
1 5 DT 1.801 0.131 6 0 "[ . 1]"
1 6 DG 0.168 0.030 1 0 "[ . 1]"
1 7 DG 1.109 0.084 6 0 "[ . 1]"
1 8 DG 0.150 0.033 9 0 "[ . 1]"
1 9 DT 0.067 0.019 1 0 "[ . 1]"
1 11 DT 0.265 0.030 5 0 "[ . 1]"
1 12 DT 0.023 0.018 4 0 "[ . 1]"
1 13 DG 0.676 0.075 6 0 "[ . 1]"
1 14 DG 0.018 0.018 7 0 "[ . 1]"
1 16 DT 1.141 0.131 6 0 "[ . 1]"
1 17 DG 0.686 0.075 6 0 "[ . 1]"
1 18 DG 0.641 0.065 2 0 "[ . 1]"
1 19 DG 0.243 0.055 10 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 DG H1 1 1 DG H2'' 5.000 3.200 6.800 6.832 6.808 6.876 0.076 9 0 "[ . 1]" 1
2 1 1 DG H1 1 1 DG H21 3.000 2.200 3.800 2.245 2.238 2.254 . 0 0 "[ . 1]" 1
3 1 1 DG H1 1 1 DG H22 . 3.200 3.800 3.504 3.500 3.510 . 0 0 "[ . 1]" 1
4 1 1 DG H1 1 8 DG H1 5.000 3.200 6.800 4.293 4.257 4.378 . 0 0 "[ . 1]" 1
5 1 1 DG H1 1 11 DT H2' 5.000 3.200 6.800 5.618 4.439 5.865 . 0 0 "[ . 1]" 1
6 1 1 DG H1 1 11 DT H2'' 5.000 3.200 6.800 4.933 4.371 5.259 . 0 0 "[ . 1]" 1
7 1 1 DG H1 1 11 DT H6 5.000 3.200 6.800 5.713 5.337 6.057 . 0 0 "[ . 1]" 1
8 1 1 DG H1 1 13 DG H8 5.000 3.200 6.800 5.412 5.261 5.530 . 0 0 "[ . 1]" 1
9 1 1 DG H1 1 14 DG H1 4.000 2.800 5.200 3.379 3.199 3.533 . 0 0 "[ . 1]" 1
10 1 1 DG H1 1 17 DG H1 5.000 3.200 6.800 4.311 4.005 4.658 . 0 0 "[ . 1]" 1
11 1 1 DG H2' 1 1 DG H21 5.000 3.200 6.800 4.997 4.887 5.091 . 0 0 "[ . 1]" 1
12 1 1 DG H2'' 1 1 DG H21 5.000 3.200 6.800 6.701 6.599 6.808 0.008 9 0 "[ . 1]" 1
13 1 1 DG H21 1 2 DG H1 5.000 3.200 6.800 6.592 6.419 6.815 0.015 9 0 "[ . 1]" 1
14 1 1 DG H21 1 11 DT H1' 4.000 2.800 5.200 2.835 2.778 3.276 0.022 2 0 "[ . 1]" 1
15 1 1 DG H21 1 11 DT H2' 5.000 3.200 6.800 5.396 4.351 5.623 . 0 0 "[ . 1]" 1
16 1 1 DG H21 1 11 DT H2'' 5.000 3.200 6.800 4.279 3.387 4.624 . 0 0 "[ . 1]" 1
17 1 1 DG H21 1 11 DT H3 4.000 3.200 5.200 5.212 5.192 5.230 0.030 5 0 "[ . 1]" 1
18 1 1 DG H21 1 11 DT H6 5.000 3.200 6.800 5.584 5.053 6.006 . 0 0 "[ . 1]" 1
19 1 1 DG H21 1 12 DT H5'' 5.000 3.200 6.800 5.248 4.489 5.983 . 0 0 "[ . 1]" 1
20 1 1 DG H21 1 13 DG H1' 5.000 3.200 6.800 5.658 5.544 5.724 . 0 0 "[ . 1]" 1
21 1 1 DG H21 1 13 DG H8 4.000 2.800 5.200 3.401 3.265 3.538 . 0 0 "[ . 1]" 1
22 1 1 DG H22 1 11 DT H3 5.000 3.200 6.800 5.990 5.883 6.041 . 0 0 "[ . 1]" 1
23 1 1 DG H22 1 13 DG H8 5.000 3.200 5.200 3.699 3.623 3.812 . 0 0 "[ . 1]" 1
24 1 1 DG H8 1 8 DG H1 5.000 3.200 6.800 4.733 4.571 4.889 . 0 0 "[ . 1]" 1
25 1 1 DG H8 1 14 DG H1 5.000 3.200 6.800 6.593 5.966 6.818 0.018 7 0 "[ . 1]" 1
26 1 1 DG H8 1 2 DG H1 5.000 3.200 6.800 5.458 5.279 5.691 . 0 0 "[ . 1]" 1
27 1 2 DG H1 1 2 DG H1' 5.000 3.200 6.800 5.888 5.877 5.898 . 0 0 "[ . 1]" 1
28 1 2 DG H1 1 7 DG H1 5.000 3.200 5.200 4.131 4.063 4.176 . 0 0 "[ . 1]" 1
29 1 2 DG H1 1 7 DG H8 5.000 3.200 6.800 5.567 5.428 5.760 . 0 0 "[ . 1]" 1
30 1 2 DG H1 1 8 DG H1 3.000 2.200 3.800 3.048 2.777 3.201 . 0 0 "[ . 1]" 1
31 1 2 DG H8 1 14 DG H1 5.000 3.200 5.200 4.634 4.525 4.894 . 0 0 "[ . 1]" 1
32 1 5 DT H3 1 5 DT M7 5.000 3.200 6.800 4.100 4.093 4.114 . 0 0 "[ . 1]" 1
33 1 5 DT H3 1 6 DG H1 4.000 2.800 5.200 4.795 4.702 4.877 . 0 0 "[ . 1]" 1
34 1 5 DT H3 1 16 DT H3 5.000 3.200 6.800 3.505 3.445 3.597 . 0 0 "[ . 1]" 1
35 1 5 DT H3 1 5 DT H6 5.000 3.200 6.800 4.802 4.800 4.809 . 0 0 "[ . 1]" 1
36 1 5 DT H6 1 6 DG H1 5.000 3.200 6.800 4.604 4.462 4.710 . 0 0 "[ . 1]" 1
37 1 5 DT H6 1 16 DT H3 5.000 3.200 6.800 4.879 4.617 5.041 . 0 0 "[ . 1]" 1
38 1 5 DT H1' 1 6 DG H1 5.000 3.200 6.800 4.269 3.215 4.728 . 0 0 "[ . 1]" 1
39 1 6 DG H1 1 6 DG H21 3.000 2.200 3.800 2.222 2.217 2.226 . 0 0 "[ . 1]" 1
40 1 6 DG H1 1 6 DG H22 3.000 2.200 3.800 3.489 3.484 3.492 . 0 0 "[ . 1]" 1
41 1 6 DG H1 1 7 DG H1 5.000 3.200 5.200 3.596 3.474 3.704 . 0 0 "[ . 1]" 1
42 1 6 DG H1 1 14 DG H1 5.000 3.200 6.800 5.261 4.986 5.458 . 0 0 "[ . 1]" 1
43 1 6 DG H1 1 16 DT H1' 5.000 3.200 6.800 4.004 3.957 4.030 . 0 0 "[ . 1]" 1
44 1 6 DG H1 1 16 DT H6 5.000 3.200 6.800 5.945 5.896 5.971 . 0 0 "[ . 1]" 1
45 1 6 DG H1 1 17 DG H1 . 2.800 3.800 3.201 3.019 3.463 . 0 0 "[ . 1]" 1
46 1 6 DG H1 1 17 DG H21 5.000 3.200 5.200 4.859 4.569 5.131 . 0 0 "[ . 1]" 1
47 1 5 DT H2' 1 6 DG H21 5.000 3.200 6.800 3.515 3.189 4.893 0.011 3 0 "[ . 1]" 1
48 1 5 DT H4' 1 6 DG H21 5.000 3.200 6.800 6.704 6.270 6.819 0.019 3 0 "[ . 1]" 1
49 1 5 DT H6 1 6 DG H21 5.000 3.200 6.800 4.915 4.750 5.028 . 0 0 "[ . 1]" 1
50 1 6 DG H21 1 7 DG H1 4.000 2.800 5.200 4.310 4.180 4.466 . 0 0 "[ . 1]" 1
51 1 6 DG H21 1 17 DG H1 5.000 3.200 6.800 4.083 3.882 4.355 . 0 0 "[ . 1]" 1
52 1 6 DG H21 1 17 DG H8 5.000 3.200 6.800 4.450 4.053 4.908 . 0 0 "[ . 1]" 1
53 1 6 DG H1' 1 7 DG H1 5.000 3.200 6.800 5.629 5.448 5.742 . 0 0 "[ . 1]" 1
54 1 6 DG H2' 1 7 DG H1 5.000 3.200 6.800 4.028 3.888 4.110 . 0 0 "[ . 1]" 1
55 1 6 DG H2'' 1 7 DG H1 5.000 3.200 6.800 4.628 4.450 4.726 . 0 0 "[ . 1]" 1
56 1 6 DG H22 1 7 DG H1 5.000 3.200 6.800 4.476 4.370 4.683 . 0 0 "[ . 1]" 1
57 1 6 DG H8 1 7 DG H1 5.000 3.200 6.800 5.324 5.191 5.495 . 0 0 "[ . 1]" 1
58 1 7 DG H1 1 7 DG H2' 5.000 3.200 6.800 5.520 5.472 5.585 . 0 0 "[ . 1]" 1
59 1 7 DG H1 1 7 DG H21 3.000 2.200 3.800 2.247 2.242 2.254 . 0 0 "[ . 1]" 1
60 1 7 DG H1 1 7 DG H22 4.000 2.800 5.200 3.510 3.508 3.513 . 0 0 "[ . 1]" 1
61 1 7 DG H1 1 13 DG H1 5.000 3.200 6.800 5.373 5.065 5.723 . 0 0 "[ . 1]" 1
62 1 7 DG H1 1 17 DG H1 4.000 3.200 5.200 4.505 4.347 4.603 . 0 0 "[ . 1]" 1
63 1 7 DG H1 1 18 DG H1 3.000 2.200 3.800 3.194 3.063 3.315 . 0 0 "[ . 1]" 1
64 1 7 DG H1 1 8 DG H1 5.000 3.200 5.200 5.086 4.908 5.233 0.033 9 0 "[ . 1]" 1
65 1 7 DG H8 1 8 DG H1 5.000 3.200 6.800 5.142 4.982 5.385 . 0 0 "[ . 1]" 1
66 1 8 DG H1 1 8 DG H21 3.000 2.200 3.800 2.244 2.238 2.249 . 0 0 "[ . 1]" 1
67 1 8 DG H1 1 9 DT H1' 4.000 2.800 5.200 3.777 3.578 3.968 . 0 0 "[ . 1]" 1
68 1 8 DG H1 1 9 DT H4' 5.000 3.200 6.800 5.852 5.301 6.279 . 0 0 "[ . 1]" 1
69 1 8 DG H1 1 11 DT M7 5.000 3.200 6.800 4.795 4.567 4.989 . 0 0 "[ . 1]" 1
70 1 8 DG H1 1 11 DT H6 5.000 3.200 6.800 6.684 6.572 6.813 0.013 1 0 "[ . 1]" 1
71 1 8 DG H1 1 18 DG H1 5.000 3.200 6.800 4.278 4.218 4.322 . 0 0 "[ . 1]" 1
72 1 1 DG H1 1 8 DG H21 5.000 3.200 6.800 5.649 5.555 5.855 . 0 0 "[ . 1]" 1
73 1 8 DG H21 1 9 DT H1' 4.000 2.800 5.200 3.910 3.795 4.008 . 0 0 "[ . 1]" 1
74 1 8 DG H21 1 9 DT H2' 5.000 3.200 6.800 6.741 6.648 6.809 0.009 8 0 "[ . 1]" 1
75 1 8 DG H21 1 9 DT H2'' 5.000 3.200 6.800 5.613 5.477 5.781 . 0 0 "[ . 1]" 1
76 1 8 DG H21 1 9 DT H4' 5.000 3.200 6.800 4.873 4.358 5.334 . 0 0 "[ . 1]" 1
77 1 8 DG H21 1 11 DT M7 5.000 3.200 6.800 3.794 3.623 4.096 . 0 0 "[ . 1]" 1
78 1 8 DG H8 1 18 DG H1 5.000 3.200 6.800 5.195 4.991 5.471 . 0 0 "[ . 1]" 1
79 1 12 DT H1' 1 13 DG H1 5.000 3.200 6.800 3.978 3.182 4.933 0.018 4 0 "[ . 1]" 1
80 1 13 DG H1 1 13 DG H21 3.000 2.200 3.800 2.241 2.233 2.259 . 0 0 "[ . 1]" 1
81 1 13 DG H1 1 13 DG H22 3.000 2.200 3.800 3.505 3.499 3.519 . 0 0 "[ . 1]" 1
82 1 13 DG H1 1 17 DG H2' 5.000 3.200 6.800 5.004 4.709 5.349 . 0 0 "[ . 1]" 1
83 1 13 DG H1 1 17 DG H2'' 5.000 3.200 6.800 6.048 5.863 6.336 . 0 0 "[ . 1]" 1
84 1 13 DG H1 1 17 DG H21 5.000 3.200 5.200 3.789 3.653 3.947 . 0 0 "[ . 1]" 1
85 1 13 DG H1 1 17 DG H22 5.000 3.200 6.800 4.409 4.214 4.621 . 0 0 "[ . 1]" 1
86 1 13 DG H1 1 18 DG H1 5.000 3.200 5.200 4.576 4.528 4.594 . 0 0 "[ . 1]" 1
87 1 13 DG H1 1 18 DG H8 5.000 3.200 6.800 4.410 4.278 4.534 . 0 0 "[ . 1]" 1
88 1 1 DG H21 1 14 DG H1 5.000 3.200 6.800 3.762 3.492 4.003 . 0 0 "[ . 1]" 1
89 1 1 DG H22 1 14 DG H1 4.000 2.800 5.200 4.209 3.937 4.543 . 0 0 "[ . 1]" 1
90 1 14 DG H1 1 14 DG H21 3.000 2.200 3.800 2.243 2.234 2.248 . 0 0 "[ . 1]" 1
91 1 14 DG H1 1 14 DG H22 5.000 3.200 6.800 3.504 3.497 3.507 . 0 0 "[ . 1]" 1
92 1 14 DG H1 1 16 DT H3 4.000 2.800 5.200 3.358 3.050 3.518 . 0 0 "[ . 1]" 1
93 1 14 DG H1 1 16 DT M7 5.000 3.200 6.800 3.535 3.286 3.877 . 0 0 "[ . 1]" 1
94 1 14 DG H1 1 17 DG H1 5.000 3.200 5.200 4.206 4.129 4.282 . 0 0 "[ . 1]" 1
95 1 14 DG H8 1 17 DG H1 5.000 3.200 6.800 5.528 5.188 5.831 . 0 0 "[ . 1]" 1
96 1 4 DT H4' 1 16 DT H3 5.000 3.200 6.800 5.822 5.646 6.213 . 0 0 "[ . 1]" 1
97 1 5 DT M7 1 16 DT H3 5.000 3.200 6.800 3.885 3.781 4.031 . 0 0 "[ . 1]" 1
98 1 6 DG H1 1 16 DT H3 3.000 2.200 3.800 2.209 2.178 2.255 0.022 4 0 "[ . 1]" 1
99 1 16 DT H3 1 16 DT M7 5.000 3.200 6.800 4.123 4.119 4.140 . 0 0 "[ . 1]" 1
100 1 16 DT H3 1 16 DT H6 5.000 3.200 6.800 4.807 4.803 4.810 . 0 0 "[ . 1]" 1
101 1 5 DT H3 1 16 DT H6 5.000 3.200 6.800 6.902 6.856 6.931 0.131 6 0 "[ . 1]" 1
102 1 5 DT H3 1 17 DG H1 5.000 3.200 6.800 6.718 6.574 6.821 0.021 5 0 "[ . 1]" 1
103 1 6 DG H22 1 17 DG H1 5.000 3.200 6.800 5.615 5.381 5.890 . 0 0 "[ . 1]" 1
104 1 7 DG H21 1 17 DG H1 5.000 3.200 6.800 5.865 5.656 6.004 . 0 0 "[ . 1]" 1
105 1 13 DG H1 1 17 DG H1 . 3.200 3.800 3.160 3.125 3.181 0.075 6 0 "[ . 1]" 1
106 1 13 DG H2' 1 17 DG H1 5.000 3.200 6.800 5.913 5.731 6.163 . 0 0 "[ . 1]" 1
107 1 13 DG H2'' 1 17 DG H1 5.000 3.200 6.800 6.811 6.658 6.856 0.056 9 0 "[ . 1]" 1
108 1 16 DT H2' 1 17 DG H1 5.000 3.200 6.800 5.209 5.027 5.335 . 0 0 "[ . 1]" 1
109 1 16 DT H2'' 1 17 DG H1 5.000 3.200 6.800 4.202 4.022 4.392 . 0 0 "[ . 1]" 1
110 1 17 DG H1 1 17 DG H2' 5.000 3.200 6.800 5.432 5.318 5.504 . 0 0 "[ . 1]" 1
111 1 17 DG H1 1 17 DG H21 3.000 2.200 3.800 2.255 2.252 2.259 . 0 0 "[ . 1]" 1
112 1 17 DG H1 1 17 DG H22 . 3.200 3.800 3.511 3.509 3.513 . 0 0 "[ . 1]" 1
113 1 13 DG H2' 1 17 DG H21 4.000 2.800 5.200 3.931 3.701 4.259 . 0 0 "[ . 1]" 1
114 1 13 DG H2'' 1 17 DG H21 5.000 3.200 6.800 4.728 4.499 4.850 . 0 0 "[ . 1]" 1
115 1 14 DG H1 1 17 DG H21 5.000 3.200 6.800 5.120 4.925 5.400 . 0 0 "[ . 1]" 1
116 1 14 DG H2' 1 17 DG H21 5.000 3.200 6.800 5.620 5.362 5.868 . 0 0 "[ . 1]" 1
117 1 16 DT H2' 1 17 DG H21 4.000 2.800 5.200 3.599 3.512 3.760 . 0 0 "[ . 1]" 1
118 1 17 DG H2' 1 17 DG H21 5.000 3.200 6.800 5.017 4.913 5.144 . 0 0 "[ . 1]" 1
119 1 6 DG H22 1 17 DG H8 5.000 3.200 6.800 3.705 3.263 4.269 . 0 0 "[ . 1]" 1
120 1 7 DG H1 1 17 DG H8 5.000 3.200 5.200 4.673 4.484 5.059 . 0 0 "[ . 1]" 1
121 1 17 DG H8 1 18 DG H1 5.000 3.200 6.800 6.041 5.738 6.283 . 0 0 "[ . 1]" 1
122 1 7 DG H2'' 1 18 DG H1 5.000 3.200 6.800 6.484 6.276 6.665 . 0 0 "[ . 1]" 1
123 1 9 DT H1' 1 18 DG H1 5.000 3.200 6.800 5.866 5.671 6.043 . 0 0 "[ . 1]" 1
124 1 9 DT H6 1 18 DG H1 5.000 3.200 6.800 6.766 6.645 6.819 0.019 1 0 "[ . 1]" 1
125 1 17 DG H22 1 18 DG H8 5.000 3.200 6.800 5.331 5.143 5.628 . 0 0 "[ . 1]" 1
126 1 19 DG H1 1 19 DG H1' 5.000 3.200 6.800 5.905 5.870 5.936 . 0 0 "[ . 1]" 1
127 1 14 DG H1 1 16 DT H6 5.000 3.200 6.800 5.565 5.483 5.766 . 0 0 "[ . 1]" 1
128 1 6 DG H21 1 16 DT H1' 5.000 3.200 6.800 3.431 3.318 3.556 . 0 0 "[ . 1]" 1
129 1 5 DT H3 1 6 DG H21 5.000 3.200 6.800 6.742 6.650 6.830 0.030 1 0 "[ . 1]" 1
130 1 2 DG H1 1 6 DG H8 5.000 3.200 6.800 5.213 4.948 5.399 . 0 0 "[ . 1]" 1
131 1 5 DT H3 1 14 DG H1 5.000 3.200 6.800 5.029 4.841 5.184 . 0 0 "[ . 1]" 1
132 1 5 DT M7 1 14 DG H1 5.000 3.200 6.800 5.664 5.643 5.679 . 0 0 "[ . 1]" 1
133 1 14 DG H8 1 17 DG H21 4.000 2.800 5.200 3.503 3.239 3.765 . 0 0 "[ . 1]" 1
134 1 18 DG H1 1 19 DG H8 5.000 3.200 6.800 6.283 6.130 6.807 0.007 3 0 "[ . 1]" 1
135 1 5 DT M7 1 6 DG H1 5.000 3.200 6.800 4.507 4.286 4.888 . 0 0 "[ . 1]" 1
136 1 5 DT M7 1 6 DG H21 5.000 3.200 6.800 5.016 4.727 5.481 . 0 0 "[ . 1]" 1
137 1 7 DG H1 1 8 DG H8 5.000 3.200 6.800 6.765 6.695 6.816 0.016 6 0 "[ . 1]" 1
138 1 2 DG H8 1 16 DT H3 5.000 3.200 6.800 6.787 6.616 6.815 0.015 8 0 "[ . 1]" 1
139 1 16 DT H1' 1 17 DG H21 3.000 2.200 3.800 3.478 3.243 3.809 0.009 4 0 "[ . 1]" 1
140 1 18 DG H1 1 19 DG H1 5.000 3.200 6.800 6.459 4.823 6.855 0.055 10 0 "[ . 1]" 1
141 1 17 DG H21 1 18 DG H8 5.000 3.200 6.800 6.133 5.937 6.433 . 0 0 "[ . 1]" 1
142 1 9 DT M7 1 18 DG H1 5.000 3.200 6.800 5.621 5.437 5.704 . 0 0 "[ . 1]" 1
143 1 16 DT M7 1 17 DG H1 5.000 3.200 6.800 5.466 5.201 5.640 . 0 0 "[ . 1]" 1
144 1 6 DG H1 1 16 DT M7 5.000 3.200 6.800 5.736 5.719 5.764 . 0 0 "[ . 1]" 1
145 1 1 DG H1 1 11 DT H3 5.000 3.200 6.800 3.559 3.471 3.611 . 0 0 "[ . 1]" 1
146 1 5 DT H3 1 7 DG H1 5.000 3.200 6.800 6.864 6.837 6.884 0.084 6 0 "[ . 1]" 1
147 1 6 DG H21 1 16 DT H6 5.000 3.200 6.800 6.558 6.423 6.677 . 0 0 "[ . 1]" 1
148 1 7 DG H1 1 18 DG H8 5.000 3.200 6.800 6.811 6.561 6.865 0.065 2 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 342
_Distance_constraint_stats_list.Viol_count 800
_Distance_constraint_stats_list.Viol_total 1138.453
_Distance_constraint_stats_list.Viol_max 1.203
_Distance_constraint_stats_list.Viol_rms 0.1214
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0333
_Distance_constraint_stats_list.Viol_average_violations_only 0.1423
_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 DG 7.132 0.796 6 7 "[ -**.+** *]"
1 2 DG 0.714 0.070 2 0 "[ . 1]"
1 3 DG 7.371 0.628 10 4 "[ * -. * +]"
1 4 DT 11.225 0.628 10 5 "[ * -. ** +]"
1 5 DT 19.279 0.923 1 10 [+*****-***]
1 6 DG 2.680 0.087 4 0 "[ . 1]"
1 7 DG 1.643 0.159 7 0 "[ . 1]"
1 8 DG 25.149 1.203 3 10 [**+***-***]
1 9 DT 33.752 1.203 3 10 [**+***-***]
1 10 DT 10.470 0.712 1 6 "[+ **** -1]"
1 11 DT 19.588 0.796 6 10 [*-***+****]
1 12 DT 9.007 0.519 7 1 "[ . + 1]"
1 13 DG 1.499 0.074 10 0 "[ . 1]"
1 14 DG 2.540 0.128 6 0 "[ . 1]"
1 15 DG 4.526 0.461 6 0 "[ . 1]"
1 16 DT 12.570 0.923 1 10 [+****-****]
1 17 DG 3.268 0.164 2 0 "[ . 1]"
1 18 DG 0.549 0.038 10 0 "[ . 1]"
1 19 DG 7.227 1.038 4 7 "[** +.*-* *]"
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 DG H1' 1 1 DG H3' 4.210 3.910 4.510 3.877 3.848 3.909 0.062 6 0 "[ . 1]" 2
2 1 1 DG H3' 1 11 DT H6 6.910 6.010 7.810 5.987 5.962 6.010 0.048 5 0 "[ . 1]" 2
3 1 5 DT H4' 1 6 DG H3' 4.650 3.800 5.500 5.558 5.532 5.571 0.071 2 0 "[ . 1]" 2
4 1 6 DG H2' 1 6 DG H4' 3.410 2.780 4.040 3.895 3.881 3.918 . 0 0 "[ . 1]" 2
5 1 1 DG H1' 1 1 DG H8 2.860 . 3.780 2.587 2.579 2.596 . 0 0 "[ . 1]" 2
6 1 1 DG H1' 1 2 DG H8 4.230 3.330 5.130 4.224 3.924 4.438 . 0 0 "[ . 1]" 2
7 1 1 DG H1' 1 11 DT H6 4.590 3.360 5.820 5.463 5.032 5.788 . 0 0 "[ . 1]" 2
8 1 1 DG H2' 1 1 DG H3' 3.140 2.210 4.070 2.372 2.353 2.386 . 0 0 "[ . 1]" 2
9 1 1 DG H2' 1 1 DG H8 4.220 3.290 5.150 4.560 4.506 4.598 . 0 0 "[ . 1]" 2
10 1 1 DG H2' 1 2 DG H8 3.050 2.090 4.010 3.064 2.953 3.195 . 0 0 "[ . 1]" 2
11 1 1 DG H1' 1 1 DG H2'' 3.520 2.570 4.470 2.434 2.418 2.446 0.152 7 0 "[ . 1]" 2
12 1 1 DG H2' 1 1 DG H2'' 2.320 . 3.190 1.794 1.793 1.795 . 0 0 "[ . 1]" 2
13 1 1 DG H2'' 1 1 DG H3' 3.150 2.280 4.020 2.721 2.692 2.761 . 0 0 "[ . 1]" 2
14 1 1 DG H2'' 1 1 DG H4' 3.200 . 4.480 4.014 3.909 4.082 . 0 0 "[ . 1]" 2
15 1 1 DG H2'' 1 1 DG H8 4.320 3.390 5.250 4.241 4.099 4.373 . 0 0 "[ . 1]" 2
16 1 1 DG H2'' 1 2 DG H8 2.970 . 3.940 2.213 2.028 2.391 . 0 0 "[ . 1]" 2
17 1 1 DG H3' 1 1 DG H8 6.350 4.380 8.320 6.165 6.129 6.198 . 0 0 "[ . 1]" 2
18 1 1 DG H3' 1 2 DG H8 4.570 3.100 6.040 4.459 4.309 4.606 . 0 0 "[ . 1]" 2
19 1 1 DG H3' 1 1 DG H4' 3.570 2.600 4.540 2.792 2.729 2.865 . 0 0 "[ . 1]" 2
20 1 1 DG H4' 1 1 DG H8 5.040 4.330 5.750 5.515 5.287 5.697 . 0 0 "[ . 1]" 2
21 1 1 DG H4' 1 2 DG H8 5.290 4.200 6.380 6.200 5.960 6.380 0.000 7 0 "[ . 1]" 2
22 1 1 DG H4' 1 11 DT H6 4.660 3.740 5.580 4.605 4.393 4.953 . 0 0 "[ . 1]" 2
23 1 2 DG H1' 1 2 DG H8 4.340 3.360 5.320 3.905 3.900 3.909 . 0 0 "[ . 1]" 2
24 1 2 DG H1' 1 2 DG H2' 2.880 . 3.840 3.023 3.011 3.035 . 0 0 "[ . 1]" 2
25 1 2 DG H2' 1 2 DG H3' 3.270 2.420 4.120 2.368 2.350 2.392 0.070 2 0 "[ . 1]" 2
26 1 2 DG H2' 1 3 DG H8 2.670 . 3.470 3.478 3.472 3.485 0.015 8 0 "[ . 1]" 2
27 1 2 DG H1' 1 2 DG H2'' 3.240 2.340 4.140 2.336 2.319 2.358 0.021 10 0 "[ . 1]" 2
28 1 2 DG H2' 1 2 DG H2'' 2.410 . 3.350 1.794 1.793 1.796 . 0 0 "[ . 1]" 2
29 1 2 DG H3' 1 2 DG H8 4.170 3.270 5.070 4.254 4.044 4.454 . 0 0 "[ . 1]" 2
30 1 1 DG H8 1 2 DG H4' 5.120 3.730 6.510 4.288 4.037 4.552 . 0 0 "[ . 1]" 2
31 1 2 DG H4' 1 2 DG H8 5.310 4.010 6.610 5.006 4.882 5.108 . 0 0 "[ . 1]" 2
32 1 2 DG H4' 1 3 DG H8 4.970 4.040 5.900 5.829 5.611 5.909 0.009 10 0 "[ . 1]" 2
33 1 2 DG H8 1 3 DG H8 4.920 3.610 6.230 5.627 5.446 5.826 . 0 0 "[ . 1]" 2
34 1 3 DG H1' 1 3 DG H8 4.030 3.690 4.370 3.905 3.898 3.909 . 0 0 "[ . 1]" 2
35 1 3 DG H1' 1 4 DT H6 4.360 4.000 4.720 4.200 4.080 4.308 . 0 0 "[ . 1]" 2
36 1 3 DG H1' 1 3 DG H2' 2.960 2.630 3.290 2.777 2.749 2.829 . 0 0 "[ . 1]" 2
37 1 3 DG H2' 1 3 DG H8 3.640 2.700 4.580 3.346 3.152 3.507 . 0 0 "[ . 1]" 2
38 1 3 DG H1' 1 3 DG H2'' 3.470 2.570 4.370 2.393 2.371 2.406 0.199 1 0 "[ . 1]" 2
39 1 3 DG H2'' 1 3 DG H3' 3.170 2.180 4.160 3.023 2.985 3.040 . 0 0 "[ . 1]" 2
40 1 3 DG H2'' 1 4 DT H6 3.550 2.600 4.500 2.562 2.545 2.575 0.055 9 0 "[ . 1]" 2
41 1 3 DG H1' 1 3 DG H3' 4.100 3.720 4.480 3.910 3.856 4.017 . 0 0 "[ . 1]" 2
42 1 3 DG H3' 1 4 DT H6 4.770 4.460 5.080 4.838 4.738 4.941 . 0 0 "[ . 1]" 2
43 1 3 DG H1' 1 3 DG H4' 3.560 3.240 3.880 3.502 3.422 3.541 . 0 0 "[ . 1]" 2
44 1 3 DG H3' 1 3 DG H4' 3.540 3.210 3.870 3.067 3.040 3.077 0.170 1 0 "[ . 1]" 2
45 1 3 DG H4' 1 3 DG H8 5.210 4.110 6.310 4.222 4.150 4.349 . 0 0 "[ . 1]" 2
46 1 4 DT H1' 1 4 DT H6 2.900 . 3.800 3.732 3.724 3.735 . 0 0 "[ . 1]" 2
47 1 4 DT H1' 1 5 DT H6 4.780 3.540 6.020 4.216 3.916 4.525 . 0 0 "[ . 1]" 2
48 1 4 DT H1' 1 4 DT H2' 2.760 2.370 3.150 2.908 2.893 2.924 . 0 0 "[ . 1]" 2
49 1 4 DT H2' 1 4 DT H3' 3.020 2.090 3.950 2.309 2.297 2.318 . 0 0 "[ . 1]" 2
50 1 4 DT H2' 1 4 DT H4' 4.120 3.740 4.500 3.945 3.923 3.975 . 0 0 "[ . 1]" 2
51 1 4 DT H2' 1 5 DT H6 6.140 5.090 7.190 5.284 5.110 5.689 . 0 0 "[ . 1]" 2
52 1 4 DT H2'' 1 5 DT H6 3.920 2.720 5.120 3.567 3.372 4.039 . 0 0 "[ . 1]" 2
53 1 3 DG H1' 1 4 DT H3' 4.720 3.810 5.630 5.526 5.208 5.660 0.030 3 0 "[ . 1]" 2
54 1 4 DT H3' 1 4 DT H6 3.600 2.620 4.580 2.958 2.793 3.174 . 0 0 "[ . 1]" 2
55 1 4 DT H1' 1 4 DT H4' 3.500 3.160 3.840 3.098 3.068 3.133 0.092 9 0 "[ . 1]" 2
56 1 4 DT H4' 1 4 DT H6 4.740 4.410 5.070 4.478 4.387 4.625 0.023 5 0 "[ . 1]" 2
57 1 3 DG H1' 1 4 DT M7 4.060 2.540 5.580 4.579 4.549 4.596 . 0 0 "[ . 1]" 2
58 1 3 DG H2'' 1 4 DT M7 3.560 2.660 4.460 3.347 3.252 3.526 . 0 0 "[ . 1]" 2
59 1 3 DG H3' 1 4 DT M7 5.370 4.000 6.740 3.644 3.372 4.046 0.628 10 4 "[ * -. * +]" 2
60 1 3 DG H8 1 4 DT M7 4.410 2.990 5.830 4.651 4.403 4.700 . 0 0 "[ . 1]" 2
61 1 4 DT H6 1 4 DT M7 2.870 2.550 3.190 2.369 2.364 2.372 0.186 3 0 "[ . 1]" 2
62 1 3 DG H8 1 4 DT H6 5.070 3.710 6.430 6.187 5.879 6.326 . 0 0 "[ . 1]" 2
63 1 5 DT H1' 1 5 DT H6 4.060 3.670 4.450 3.701 3.568 3.743 0.102 9 0 "[ . 1]" 2
64 1 5 DT H1' 1 5 DT H2' 2.870 2.530 3.210 2.866 2.819 3.050 . 0 0 "[ . 1]" 2
65 1 5 DT H2' 1 5 DT H3' 3.050 2.110 3.990 2.356 2.287 2.373 . 0 0 "[ . 1]" 2
66 1 5 DT H2' 1 5 DT H4' 4.310 3.410 5.210 3.854 3.826 3.977 . 0 0 "[ . 1]" 2
67 1 5 DT H1' 1 5 DT H2'' 3.100 2.190 4.010 2.292 2.278 2.357 . 0 0 "[ . 1]" 2
68 1 5 DT H2' 1 5 DT H2'' 2.270 . 2.590 1.824 1.822 1.829 0.128 9 0 "[ . 1]" 2
69 1 5 DT H2'' 1 5 DT H3' 2.780 2.450 3.110 2.995 2.734 3.049 . 0 0 "[ . 1]" 2
70 1 5 DT H2'' 1 5 DT H6 3.820 2.950 4.690 3.645 2.932 3.885 0.018 1 0 "[ . 1]" 2
71 1 5 DT H1' 1 5 DT H3' 4.040 3.410 4.670 3.886 3.804 3.951 . 0 0 "[ . 1]" 2
72 1 5 DT H3' 1 6 DG H8 5.110 2.510 7.710 7.646 7.508 7.739 0.029 9 0 "[ . 1]" 2
73 1 5 DT H1' 1 5 DT H4' 4.220 3.230 5.210 3.163 3.142 3.188 0.088 9 0 "[ . 1]" 2
74 1 5 DT H3' 1 5 DT H4' 3.300 2.380 4.220 2.993 2.805 3.038 . 0 0 "[ . 1]" 2
75 1 5 DT H4' 1 5 DT H6 4.690 3.730 5.650 4.607 4.385 5.309 . 0 0 "[ . 1]" 2
76 1 5 DT H4' 1 6 DG H4' 4.180 3.150 5.210 4.123 4.009 4.284 . 0 0 "[ . 1]" 2
77 1 4 DT H2' 1 5 DT M7 3.520 2.580 4.460 3.487 3.461 3.533 . 0 0 "[ . 1]" 2
78 1 4 DT H2'' 1 5 DT M7 3.410 2.500 4.320 2.033 1.987 2.095 0.513 7 1 "[ . + 1]" 2
79 1 4 DT H3' 1 5 DT M7 4.990 4.250 5.730 4.538 4.335 4.624 . 0 0 "[ . 1]" 2
80 1 5 DT H6 1 5 DT M7 3.030 2.710 3.350 2.385 2.354 2.396 0.356 9 0 "[ . 1]" 2
81 1 5 DT M7 1 16 DT H6 5.490 4.150 6.830 3.285 3.227 3.309 0.923 1 10 [+****-****] 2
82 1 6 DG H1' 1 6 DG H8 2.810 2.500 3.120 2.610 2.586 2.621 . 0 0 "[ . 1]" 2
83 1 6 DG H1' 1 6 DG H2' 3.170 2.870 3.470 3.050 3.044 3.052 . 0 0 "[ . 1]" 2
84 1 6 DG H2' 1 6 DG H8 4.380 4.010 4.750 4.616 4.551 4.639 . 0 0 "[ . 1]" 2
85 1 6 DG H1' 1 6 DG H2'' 2.750 2.450 3.050 2.383 2.375 2.392 0.075 6 0 "[ . 1]" 2
86 1 6 DG H2' 1 6 DG H2'' 2.280 . 2.660 1.814 1.813 1.816 0.087 4 0 "[ . 1]" 2
87 1 6 DG H2'' 1 6 DG H8 3.990 3.040 4.940 4.328 4.187 4.372 . 0 0 "[ . 1]" 2
88 1 6 DG H1' 1 6 DG H3' 4.130 3.200 5.060 3.844 3.803 3.880 . 0 0 "[ . 1]" 2
89 1 6 DG H3' 1 6 DG H8 5.650 4.110 7.190 6.163 6.123 6.175 . 0 0 "[ . 1]" 2
90 1 6 DG H1' 1 6 DG H4' 3.240 2.850 3.630 3.036 2.843 3.146 0.007 1 0 "[ . 1]" 2
91 1 6 DG H4' 1 6 DG H8 5.210 4.630 5.790 5.278 5.170 5.349 . 0 0 "[ . 1]" 2
92 1 7 DG H1' 1 7 DG H8 2.810 2.500 3.120 2.569 2.555 2.577 . 0 0 "[ . 1]" 2
93 1 7 DG H1' 1 7 DG H2'' 3.230 2.260 4.200 2.357 2.351 2.362 . 0 0 "[ . 1]" 2
94 1 7 DG H2'' 1 7 DG H3' 3.030 2.680 3.380 2.814 2.807 2.824 . 0 0 "[ . 1]" 2
95 1 7 DG H2'' 1 7 DG H4' 4.450 3.530 5.370 3.849 3.826 3.865 . 0 0 "[ . 1]" 2
96 1 7 DG H2'' 1 7 DG H8 4.160 3.400 4.920 4.151 4.085 4.201 . 0 0 "[ . 1]" 2
97 1 7 DG H2'' 1 8 DG H8 3.740 2.400 5.080 2.569 2.396 2.842 0.004 3 0 "[ . 1]" 2
98 1 7 DG H1' 1 7 DG H2' 2.860 2.360 3.360 3.033 3.031 3.036 . 0 0 "[ . 1]" 2
99 1 7 DG H2' 1 7 DG H2'' 2.320 . 3.230 1.801 1.800 1.803 . 0 0 "[ . 1]" 2
100 1 7 DG H2' 1 7 DG H3' 2.970 2.600 3.340 2.446 2.441 2.451 0.159 7 0 "[ . 1]" 2
101 1 7 DG H2' 1 7 DG H8 3.680 2.760 4.600 4.575 4.532 4.602 0.002 5 0 "[ . 1]" 2
102 1 7 DG H1' 1 7 DG H3' 4.260 3.320 5.200 3.795 3.777 3.812 . 0 0 "[ . 1]" 2
103 1 7 DG H3' 1 7 DG H8 5.810 5.300 6.320 6.137 6.120 6.148 . 0 0 "[ . 1]" 2
104 1 7 DG H3' 1 8 DG H8 4.400 3.810 4.990 4.863 4.673 4.997 0.007 5 0 "[ . 1]" 2
105 1 7 DG H1' 1 7 DG H4' 3.140 2.840 3.440 2.835 2.823 2.859 0.017 5 0 "[ . 1]" 2
106 1 7 DG H3' 1 7 DG H4' 3.130 2.840 3.520 2.875 2.868 2.882 . 0 0 "[ . 1]" 2
107 1 7 DG H4' 1 7 DG H8 4.380 3.590 5.170 5.146 5.098 5.177 0.007 1 0 "[ . 1]" 2
108 1 8 DG H1' 1 8 DG H8 3.680 2.720 4.640 3.868 3.862 3.873 . 0 0 "[ . 1]" 2
109 1 8 DG H1' 1 9 DT H6 3.980 3.670 4.290 3.703 3.654 3.793 0.016 5 0 "[ . 1]" 2
110 1 8 DG H1' 1 8 DG Q2' 2.590 2.050 2.710 2.296 2.290 2.305 . 0 0 "[ . 1]" 2
111 1 8 DG Q2' 1 8 DG H8 3.140 2.150 3.390 2.174 2.152 2.200 . 0 0 "[ . 1]" 2
112 1 8 DG Q2' 1 9 DT H6 3.100 2.230 4.060 2.270 2.195 2.374 0.035 10 0 "[ . 1]" 2
113 1 8 DG Q2' 1 8 DG H3' 2.950 2.570 3.080 2.246 2.244 2.249 0.326 8 0 "[ . 1]" 2
114 1 8 DG H1' 1 8 DG H3' 3.320 3.000 3.640 3.694 3.673 3.706 0.066 8 0 "[ . 1]" 2
115 1 8 DG H3' 1 8 DG H8 4.080 3.150 5.010 4.508 4.472 4.562 . 0 0 "[ . 1]" 2
116 1 8 DG H3' 1 9 DT H6 4.750 4.400 5.100 4.954 4.884 5.059 . 0 0 "[ . 1]" 2
117 1 8 DG H1' 1 8 DG H4' 3.390 2.460 4.320 2.970 2.873 3.084 . 0 0 "[ . 1]" 2
118 1 8 DG H4' 1 8 DG H8 4.750 4.250 5.250 5.209 5.181 5.239 . 0 0 "[ . 1]" 2
119 1 8 DG H1' 1 9 DT H1' 4.400 3.440 5.360 4.467 4.244 4.730 . 0 0 "[ . 1]" 2
120 1 8 DG H8 1 9 DT H1' 5.380 4.880 5.880 5.850 5.693 5.897 0.017 8 0 "[ . 1]" 2
121 1 9 DT H1' 1 9 DT H6 4.210 3.240 5.180 3.702 3.685 3.717 . 0 0 "[ . 1]" 2
122 1 9 DT H1' 1 10 DT H6 4.550 3.920 5.180 4.895 4.713 5.196 0.016 3 0 "[ . 1]" 2
123 1 9 DT H1' 1 9 DT H2' 2.930 2.290 3.570 2.886 2.846 2.911 . 0 0 "[ . 1]" 2
124 1 9 DT H2' 1 9 DT H3' 3.380 2.420 4.340 2.363 2.350 2.373 0.070 2 0 "[ . 1]" 2
125 1 9 DT H2' 1 9 DT H4' 3.640 3.340 3.940 3.848 3.788 3.869 . 0 0 "[ . 1]" 2
126 1 9 DT H2' 1 9 DT H6 3.830 2.900 4.760 3.004 2.913 3.090 . 0 0 "[ . 1]" 2
127 1 9 DT H2' 1 10 DT H6 3.160 2.200 4.120 2.481 2.198 2.971 0.002 4 0 "[ . 1]" 2
128 1 9 DT H1' 1 9 DT H2'' 3.210 2.310 4.110 2.283 2.279 2.287 0.031 7 0 "[ . 1]" 2
129 1 9 DT H2' 1 9 DT H2'' 2.400 . 3.320 1.791 1.786 1.793 . 0 0 "[ . 1]" 2
130 1 9 DT H2'' 1 9 DT H3' 2.920 2.560 3.280 3.020 3.010 3.039 . 0 0 "[ . 1]" 2
131 1 9 DT H2'' 1 9 DT H6 3.110 . 4.460 4.218 4.164 4.277 . 0 0 "[ . 1]" 2
132 1 9 DT H2'' 1 10 DT H6 3.350 2.410 4.290 3.007 2.705 3.360 . 0 0 "[ . 1]" 2
133 1 9 DT H1' 1 9 DT H3' 4.240 3.330 5.150 3.930 3.891 3.949 . 0 0 "[ . 1]" 2
134 1 9 DT H3' 1 10 DT H6 4.180 3.760 4.600 4.006 3.740 4.447 0.020 10 0 "[ . 1]" 2
135 1 8 DG H1' 1 9 DT H4' 3.750 3.450 4.050 3.908 3.736 4.052 0.002 8 0 "[ . 1]" 2
136 1 9 DT H1' 1 9 DT H4' 3.230 2.910 3.550 2.945 2.906 3.028 0.004 10 0 "[ . 1]" 2
137 1 9 DT H4' 1 9 DT H6 4.580 4.270 4.890 4.286 4.261 4.324 0.009 8 0 "[ . 1]" 2
138 1 9 DT H4' 1 10 DT H6 5.910 5.470 6.350 5.647 5.435 5.966 0.035 4 0 "[ . 1]" 2
139 1 8 DG H1' 1 9 DT M7 5.270 4.620 5.920 4.355 4.306 4.424 0.314 2 0 "[ . 1]" 2
140 1 8 DG Q2' 1 9 DT M7 3.700 3.330 3.910 2.180 2.127 2.270 1.203 3 10 [**+***-***] 2
141 1 8 DG H3' 1 9 DT M7 4.750 3.610 5.890 4.015 3.923 4.088 . 0 0 "[ . 1]" 2
142 1 8 DG H8 1 9 DT M7 3.750 3.440 4.060 2.731 2.570 2.929 0.870 9 10 [******-*+*] 2
143 1 9 DT H1' 1 9 DT M7 5.900 4.950 6.850 5.144 5.130 5.153 . 0 0 "[ . 1]" 2
144 1 9 DT H6 1 9 DT M7 3.010 2.700 3.320 2.374 2.371 2.378 0.329 2 0 "[ . 1]" 2
145 1 9 DT M7 1 19 DG H1' 5.220 3.900 6.540 3.427 2.862 5.247 1.038 4 7 "[** +.*-* *]" 2
146 1 8 DG H8 1 9 DT H6 4.590 3.630 5.550 4.106 3.948 4.252 . 0 0 "[ . 1]" 2
147 1 10 DT H1' 1 10 DT H6 3.110 . 4.420 3.576 3.387 3.718 . 0 0 "[ . 1]" 2
148 1 10 DT H1' 1 11 DT H6 4.610 2.610 6.610 4.405 3.809 4.731 . 0 0 "[ . 1]" 2
149 1 10 DT H1' 1 12 DT H6 4.590 3.630 5.550 4.974 4.030 5.383 . 0 0 "[ . 1]" 2
150 1 10 DT H1' 1 10 DT H2'' 3.160 2.170 4.150 2.321 2.246 2.347 . 0 0 "[ . 1]" 2
151 1 10 DT H2'' 1 10 DT H3' 2.910 2.470 3.350 2.743 2.699 2.924 . 0 0 "[ . 1]" 2
152 1 10 DT H1' 1 10 DT H2' 2.750 2.440 3.060 3.000 2.845 3.033 . 0 0 "[ . 1]" 2
153 1 10 DT H2' 1 10 DT H4' 4.420 3.460 5.380 3.886 3.834 4.038 . 0 0 "[ . 1]" 2
154 1 10 DT H2' 1 10 DT H6 2.880 . 3.810 3.008 1.929 3.816 0.021 2 0 "[ . 1]" 2
155 1 10 DT H1' 1 10 DT H3' 3.530 3.090 3.970 3.892 3.836 4.011 0.041 3 0 "[ . 1]" 2
156 1 10 DT H3' 1 10 DT H6 3.690 2.700 4.680 4.319 2.679 4.713 0.033 4 0 "[ . 1]" 2
157 1 9 DT H1' 1 10 DT H4' 4.770 4.000 5.540 5.229 4.170 5.570 0.030 7 0 "[ . 1]" 2
158 1 10 DT H1' 1 10 DT H4' 3.770 3.420 4.120 3.416 3.368 3.505 0.052 1 0 "[ . 1]" 2
159 1 10 DT H3' 1 10 DT H4' 3.200 2.280 4.120 2.769 2.723 2.905 . 0 0 "[ . 1]" 2
160 1 10 DT H4' 1 10 DT H6 4.310 3.910 4.710 4.163 3.902 4.722 0.012 2 0 "[ . 1]" 2
161 1 10 DT H4' 1 11 DT H6 4.020 3.060 4.980 3.124 3.028 3.503 0.032 5 0 "[ . 1]" 2
162 1 9 DT H2' 1 10 DT M7 3.340 2.360 4.320 2.361 2.021 2.798 0.339 2 0 "[ . 1]" 2
163 1 9 DT H3' 1 10 DT M7 3.650 2.690 4.610 2.923 2.301 3.222 0.389 10 0 "[ . 1]" 2
164 1 9 DT H6 1 10 DT M7 3.670 2.710 4.630 3.401 2.924 3.731 . 0 0 "[ . 1]" 2
165 1 10 DT H1' 1 10 DT M7 5.700 3.870 7.530 5.058 4.929 5.156 . 0 0 "[ . 1]" 2
166 1 10 DT H6 1 10 DT M7 2.950 2.610 3.290 2.375 2.371 2.379 0.239 4 0 "[ . 1]" 2
167 1 11 DT H1' 1 11 DT H6 4.070 3.110 5.030 3.419 3.129 3.544 . 0 0 "[ . 1]" 2
168 1 11 DT H1' 1 12 DT H6 5.310 4.110 6.510 4.938 4.595 5.565 . 0 0 "[ . 1]" 2
169 1 10 DT H4' 1 11 DT H2' 4.790 3.490 6.090 4.787 4.131 5.705 . 0 0 "[ . 1]" 2
170 1 11 DT H1' 1 11 DT H2' 2.930 2.010 3.850 2.995 2.919 3.020 . 0 0 "[ . 1]" 2
171 1 11 DT H2' 1 11 DT H3' 3.650 2.400 4.900 2.361 2.332 2.384 0.068 10 0 "[ . 1]" 2
172 1 11 DT H2' 1 11 DT H6 4.660 3.750 5.570 3.796 3.675 4.296 0.075 8 0 "[ . 1]" 2
173 1 11 DT H2' 1 12 DT H6 3.450 2.860 4.040 3.194 2.852 3.449 0.008 1 0 "[ . 1]" 2
174 1 11 DT H1' 1 11 DT H2'' 3.250 2.310 4.190 2.310 2.283 2.336 0.027 10 0 "[ . 1]" 2
175 1 11 DT H2' 1 11 DT H2'' 2.360 . 3.320 1.793 1.788 1.797 . 0 0 "[ . 1]" 2
176 1 11 DT H2'' 1 11 DT H6 4.070 3.130 5.010 4.688 4.653 4.820 . 0 0 "[ . 1]" 2
177 1 10 DT H1' 1 11 DT H3' 3.130 2.490 3.770 3.734 3.321 3.802 0.032 7 0 "[ . 1]" 2
178 1 11 DT H1' 1 11 DT H3' 3.990 3.640 4.340 3.933 3.860 4.039 . 0 0 "[ . 1]" 2
179 1 11 DT H3' 1 11 DT H6 4.120 2.800 5.440 4.777 4.601 5.021 . 0 0 "[ . 1]" 2
180 1 11 DT H3' 1 12 DT H6 3.780 3.460 4.100 3.523 3.437 3.834 0.023 5 0 "[ . 1]" 2
181 1 11 DT H1' 1 11 DT H4' 3.910 2.970 4.850 3.297 2.928 3.756 0.042 4 0 "[ . 1]" 2
182 1 11 DT H3' 1 11 DT H4' 3.700 2.310 5.090 2.813 2.674 3.007 . 0 0 "[ . 1]" 2
183 1 11 DT H4' 1 11 DT H6 4.420 3.520 5.320 4.015 3.635 4.225 . 0 0 "[ . 1]" 2
184 1 11 DT H4' 1 12 DT H6 6.150 4.880 7.420 5.754 5.695 5.862 . 0 0 "[ . 1]" 2
185 1 1 DG H1' 1 11 DT M7 3.860 2.520 5.200 3.558 3.197 3.964 . 0 0 "[ . 1]" 2
186 1 1 DG H3' 1 11 DT M7 5.940 4.580 7.300 5.541 5.092 5.694 . 0 0 "[ . 1]" 2
187 1 1 DG H4' 1 11 DT M7 4.730 4.410 5.050 3.889 3.614 4.024 0.796 6 7 "[ -**.+** *]" 2
188 1 1 DG H8 1 11 DT M7 3.670 2.730 4.610 3.403 3.076 3.684 . 0 0 "[ . 1]" 2
189 1 9 DT H1' 1 11 DT M7 3.630 2.310 4.950 3.612 3.373 3.740 . 0 0 "[ . 1]" 2
190 1 9 DT H4' 1 11 DT M7 4.260 3.550 4.970 3.860 3.803 3.908 . 0 0 "[ . 1]" 2
191 1 10 DT H1' 1 11 DT M7 4.570 3.480 5.660 4.520 4.151 4.652 . 0 0 "[ . 1]" 2
192 1 10 DT H3' 1 11 DT M7 4.820 3.530 6.110 4.136 3.252 4.634 0.278 4 0 "[ . 1]" 2
193 1 10 DT H4' 1 11 DT M7 3.380 2.470 4.290 1.941 1.758 2.253 0.712 1 6 "[+ **** -1]" 2
194 1 11 DT H1' 1 11 DT M7 4.880 3.600 6.160 4.945 4.745 5.027 . 0 0 "[ . 1]" 2
195 1 11 DT H6 1 11 DT M7 3.030 2.700 3.360 2.358 2.312 2.379 0.388 5 0 "[ . 1]" 2
196 1 12 DT H1' 1 12 DT H6 4.130 3.770 4.490 3.735 3.727 3.742 0.043 8 0 "[ . 1]" 2
197 1 12 DT H1' 1 12 DT H2' 3.090 2.750 3.430 3.034 3.027 3.040 . 0 0 "[ . 1]" 2
198 1 12 DT H2' 1 12 DT H3' 3.180 2.240 4.120 2.373 2.350 2.404 . 0 0 "[ . 1]" 2
199 1 12 DT H2' 1 12 DT H6 3.160 2.260 4.060 2.227 2.196 2.253 0.064 4 0 "[ . 1]" 2
200 1 12 DT H1' 1 12 DT H2'' 3.270 2.370 4.170 2.350 2.337 2.359 0.033 4 0 "[ . 1]" 2
201 1 12 DT H2' 1 12 DT H2'' 2.360 . 3.270 1.788 1.784 1.794 . 0 0 "[ . 1]" 2
202 1 12 DT H2'' 1 12 DT H3' 2.800 2.420 3.180 2.716 2.691 2.744 . 0 0 "[ . 1]" 2
203 1 12 DT H2'' 1 12 DT H4' 4.100 3.180 5.020 4.018 3.948 4.059 . 0 0 "[ . 1]" 2
204 1 12 DT H2'' 1 12 DT H6 2.710 . 3.670 3.720 3.708 3.737 0.067 10 0 "[ . 1]" 2
205 1 12 DT H1' 1 12 DT H3' 4.510 3.220 5.800 3.855 3.797 3.906 . 0 0 "[ . 1]" 2
206 1 12 DT H3' 1 12 DT H6 4.000 3.610 4.390 4.045 3.931 4.197 . 0 0 "[ . 1]" 2
207 1 12 DT H3' 1 13 DG H8 5.510 4.100 6.920 6.337 5.421 6.941 0.021 10 0 "[ . 1]" 2
208 1 10 DT H1' 1 12 DT M7 2.520 . 3.440 2.419 2.257 2.649 . 0 0 "[ . 1]" 2
209 1 10 DT H6 1 12 DT M7 4.410 3.210 5.610 4.352 4.044 4.587 . 0 0 "[ . 1]" 2
210 1 11 DT H3' 1 12 DT M7 2.950 2.690 3.210 2.294 2.171 2.486 0.519 7 1 "[ . + 1]" 2
211 1 12 DT H1' 1 12 DT M7 5.240 3.610 6.870 5.170 5.166 5.176 . 0 0 "[ . 1]" 2
212 1 12 DT H6 1 12 DT M7 3.030 2.720 3.340 2.369 2.361 2.381 0.359 10 0 "[ . 1]" 2
213 1 13 DG H1' 1 13 DG H8 2.840 2.520 3.160 2.584 2.571 2.611 . 0 0 "[ . 1]" 2
214 1 13 DG H1' 1 14 DG H8 4.210 2.860 5.560 3.967 3.806 4.277 . 0 0 "[ . 1]" 2
215 1 13 DG H1' 1 13 DG H2'' 3.370 2.390 4.350 2.352 2.343 2.359 0.047 6 0 "[ . 1]" 2
216 1 13 DG H2'' 1 13 DG H3' 3.110 2.810 3.410 2.756 2.736 2.777 0.074 10 0 "[ . 1]" 2
217 1 13 DG H2'' 1 13 DG H4' 3.850 3.490 4.210 3.991 3.919 4.062 . 0 0 "[ . 1]" 2
218 1 13 DG H2'' 1 14 DG H8 3.400 2.470 4.330 2.439 2.414 2.462 0.056 9 0 "[ . 1]" 2
219 1 13 DG H1' 1 13 DG H2' 2.990 2.640 3.340 3.031 3.024 3.037 . 0 0 "[ . 1]" 2
220 1 13 DG H2' 1 13 DG H2'' 2.420 . 3.380 1.797 1.794 1.800 . 0 0 "[ . 1]" 2
221 1 13 DG H2' 1 13 DG H3' 3.240 2.290 4.190 2.371 2.331 2.406 . 0 0 "[ . 1]" 2
222 1 13 DG H2' 1 13 DG H4' 3.770 2.900 4.640 3.879 3.837 3.924 . 0 0 "[ . 1]" 2
223 1 13 DG H2' 1 13 DG H8 3.960 2.570 5.350 4.536 4.323 4.668 . 0 0 "[ . 1]" 2
224 1 13 DG H2' 1 14 DG H8 2.990 2.010 3.970 3.214 2.723 3.570 . 0 0 "[ . 1]" 2
225 1 13 DG H1' 1 13 DG H3' 4.390 3.480 5.300 3.862 3.832 3.905 . 0 0 "[ . 1]" 2
226 1 13 DG H3' 1 13 DG H8 5.580 4.530 6.630 6.141 6.049 6.181 . 0 0 "[ . 1]" 2
227 1 13 DG H3' 1 14 DG H8 4.690 4.300 5.080 4.895 4.464 5.091 0.011 5 0 "[ . 1]" 2
228 1 13 DG H1' 1 13 DG H4' 4.560 3.230 5.890 3.252 3.198 3.390 0.032 9 0 "[ . 1]" 2
229 1 13 DG H8 1 14 DG H8 4.720 3.400 6.040 4.511 4.316 4.654 . 0 0 "[ . 1]" 2
230 1 14 DG H1' 1 14 DG H8 4.350 3.410 5.290 3.898 3.892 3.902 . 0 0 "[ . 1]" 2
231 1 14 DG H1' 1 14 DG H2'' 3.360 2.440 4.280 2.366 2.351 2.390 0.089 6 0 "[ . 1]" 2
232 1 14 DG H2'' 1 14 DG H3' 2.930 2.580 3.280 2.843 2.739 2.910 . 0 0 "[ . 1]" 2
233 1 14 DG H2'' 1 14 DG H8 3.050 2.150 3.950 3.849 3.643 3.974 0.024 3 0 "[ . 1]" 2
234 1 14 DG H2'' 1 16 DT H6 4.350 3.360 5.340 4.213 3.990 4.359 . 0 0 "[ . 1]" 2
235 1 14 DG H2' 1 14 DG H2'' 2.310 . 2.670 1.823 1.822 1.827 0.128 6 0 "[ . 1]" 2
236 1 14 DG H2' 1 14 DG H3' 3.160 2.280 4.040 2.314 2.295 2.371 . 0 0 "[ . 1]" 2
237 1 14 DG H2' 1 14 DG H8 3.490 2.220 4.760 2.318 2.194 2.443 0.026 6 0 "[ . 1]" 2
238 1 13 DG H1' 1 14 DG H3' 4.810 4.360 5.260 4.988 4.346 5.296 0.036 10 0 "[ . 1]" 2
239 1 14 DG H3' 1 14 DG H8 4.160 3.790 4.530 4.015 3.781 4.372 0.009 6 0 "[ . 1]" 2
240 1 14 DG H3' 1 16 DT H6 6.290 5.790 6.790 6.236 5.984 6.537 . 0 0 "[ . 1]" 2
241 1 13 DG H1' 1 14 DG H4' 3.370 2.160 4.580 4.152 3.930 4.372 . 0 0 "[ . 1]" 2
242 1 13 DG H8 1 14 DG H4' 4.370 4.040 4.700 4.552 4.137 4.708 0.008 4 0 "[ . 1]" 2
243 1 14 DG H1' 1 14 DG H4' 3.030 2.710 3.350 2.863 2.704 3.086 0.006 9 0 "[ . 1]" 2
244 1 14 DG H3' 1 14 DG H4' 3.200 2.820 3.580 2.926 2.820 2.980 . 0 0 "[ . 1]" 2
245 1 14 DG H4' 1 14 DG H8 4.780 4.400 5.160 5.000 4.890 5.130 . 0 0 "[ . 1]" 2
246 1 15 DG H1' 1 15 DG H8 3.010 2.170 3.850 2.596 2.574 2.664 . 0 0 "[ . 1]" 2
247 1 15 DG H1' 1 16 DT H6 4.680 3.460 5.900 5.865 5.260 5.943 0.043 10 0 "[ . 1]" 2
248 1 15 DG H1' 1 15 DG H2'' 3.220 2.350 4.090 2.311 2.301 2.348 0.049 10 0 "[ . 1]" 2
249 1 15 DG H2'' 1 15 DG H3' 2.990 2.620 3.360 2.987 2.904 3.065 . 0 0 "[ . 1]" 2
250 1 15 DG H2'' 1 15 DG H8 4.990 4.320 5.660 4.418 4.261 4.671 0.059 2 0 "[ . 1]" 2
251 1 15 DG H2'' 1 16 DT H6 3.760 3.300 4.220 3.673 3.392 3.839 . 0 0 "[ . 1]" 2
252 1 15 DG H2' 1 15 DG H2'' 2.290 . 2.610 1.829 1.824 1.831 0.146 9 0 "[ . 1]" 2
253 1 15 DG H2' 1 15 DG H3' 2.860 . 3.770 2.315 2.280 2.392 . 0 0 "[ . 1]" 2
254 1 15 DG H2' 1 16 DT H6 3.620 2.700 4.540 3.844 2.681 4.193 0.019 6 0 "[ . 1]" 2
255 1 14 DG H8 1 15 DG H3' 4.520 3.200 5.840 5.045 4.729 5.675 . 0 0 "[ . 1]" 2
256 1 15 DG H1' 1 15 DG H3' 4.070 2.730 5.410 3.896 3.784 3.957 . 0 0 "[ . 1]" 2
257 1 15 DG H3' 1 15 DG H8 4.480 3.110 5.850 5.596 4.997 5.900 0.050 9 0 "[ . 1]" 2
258 1 15 DG H3' 1 16 DT H6 4.020 2.710 5.330 3.799 3.348 4.324 . 0 0 "[ . 1]" 2
259 1 15 DG H4' 1 15 DG H8 5.550 4.250 6.850 5.474 4.744 5.785 . 0 0 "[ . 1]" 2
260 1 15 DG H4' 1 16 DT H6 4.520 3.600 5.440 5.232 4.896 5.466 0.026 4 0 "[ . 1]" 2
261 1 16 DT H1' 1 16 DT H6 3.950 3.640 4.260 3.732 3.719 3.742 . 0 0 "[ . 1]" 2
262 1 16 DT H1' 1 16 DT H2' 2.830 2.520 3.140 3.034 3.030 3.038 . 0 0 "[ . 1]" 2
263 1 16 DT H2' 1 16 DT H4' 3.010 2.020 4.000 3.818 3.810 3.840 . 0 0 "[ . 1]" 2
264 1 16 DT H2' 1 16 DT H6 3.400 2.040 4.760 2.151 2.094 2.191 . 0 0 "[ . 1]" 2
265 1 14 DG H8 1 16 DT H2'' 4.340 2.670 6.010 3.001 2.808 3.231 . 0 0 "[ . 1]" 2
266 1 16 DT H1' 1 16 DT H2'' 3.310 2.330 4.290 2.358 2.347 2.367 . 0 0 "[ . 1]" 2
267 1 16 DT H2' 1 16 DT H2'' 2.310 . 2.920 1.793 1.792 1.795 . 0 0 "[ . 1]" 2
268 1 16 DT H2'' 1 16 DT H3' 2.970 2.330 3.610 2.698 2.692 2.710 . 0 0 "[ . 1]" 2
269 1 16 DT H2'' 1 16 DT H6 2.920 2.250 3.590 3.604 3.543 3.639 0.049 4 0 "[ . 1]" 2
270 1 16 DT H3' 1 16 DT H6 4.340 3.680 5.000 4.182 4.130 4.244 . 0 0 "[ . 1]" 2
271 1 16 DT H1' 1 16 DT H4' 4.180 3.200 5.160 3.266 3.188 3.397 0.012 6 0 "[ . 1]" 2
272 1 14 DG H2'' 1 16 DT M7 3.060 . 4.570 3.317 3.134 3.465 . 0 0 "[ . 1]" 2
273 1 14 DG H8 1 16 DT M7 4.170 2.870 5.470 4.362 4.335 4.386 . 0 0 "[ . 1]" 2
274 1 15 DG H1' 1 16 DT M7 3.740 2.500 4.980 3.865 3.817 3.904 . 0 0 "[ . 1]" 2
275 1 15 DG H2'' 1 16 DT M7 3.030 . 4.570 2.204 1.879 3.317 . 0 0 "[ . 1]" 2
276 1 15 DG H2' 1 16 DT M7 2.960 2.030 3.890 1.889 1.781 2.055 0.249 6 0 "[ . 1]" 2
277 1 15 DG H3' 1 16 DT M7 3.470 2.800 4.140 2.786 2.339 2.932 0.461 6 0 "[ . 1]" 2
278 1 15 DG H4' 1 16 DT M7 4.490 3.260 5.720 4.503 4.198 4.666 . 0 0 "[ . 1]" 2
279 1 15 DG H8 1 16 DT M7 5.300 3.630 6.970 4.857 3.771 5.602 . 0 0 "[ . 1]" 2
280 1 16 DT H1' 1 16 DT M7 5.670 4.170 7.170 5.144 5.129 5.156 . 0 0 "[ . 1]" 2
281 1 16 DT H6 1 16 DT M7 3.070 2.470 3.670 2.340 2.308 2.353 0.162 6 0 "[ . 1]" 2
282 1 14 DG H8 1 16 DT H6 4.460 2.930 5.990 3.968 3.846 4.126 . 0 0 "[ . 1]" 2
283 1 17 DG H1' 1 17 DG H8 2.840 2.220 3.460 2.602 2.588 2.635 . 0 0 "[ . 1]" 2
284 1 17 DG H1' 1 18 DG H8 4.400 3.830 4.970 3.877 3.818 4.087 0.012 10 0 "[ . 1]" 2
285 1 17 DG H1' 1 17 DG H2'' 3.380 2.580 4.180 2.436 2.416 2.453 0.164 2 0 "[ . 1]" 2
286 1 17 DG H2'' 1 17 DG H3' 2.910 2.270 3.550 2.728 2.693 2.757 . 0 0 "[ . 1]" 2
287 1 17 DG H2'' 1 17 DG H4' 3.060 . 4.440 4.046 3.963 4.118 . 0 0 "[ . 1]" 2
288 1 17 DG H2'' 1 17 DG H8 5.190 4.280 6.100 4.284 4.212 4.378 0.068 4 0 "[ . 1]" 2
289 1 17 DG H2'' 1 18 DG H8 3.330 . 4.690 2.069 1.964 2.177 0.006 4 0 "[ . 1]" 2
290 1 17 DG H1' 1 17 DG H2' 2.920 2.380 3.460 3.067 3.055 3.074 . 0 0 "[ . 1]" 2
291 1 17 DG H2' 1 17 DG H2'' 2.310 . 2.750 1.812 1.810 1.815 0.060 10 0 "[ . 1]" 2
292 1 17 DG H2' 1 17 DG H3' 3.030 2.510 3.550 2.427 2.416 2.435 0.094 6 0 "[ . 1]" 2
293 1 17 DG H2' 1 17 DG H4' 3.340 2.740 3.940 3.848 3.819 3.882 . 0 0 "[ . 1]" 2
294 1 17 DG H2' 1 17 DG H8 4.420 3.730 5.110 4.574 4.525 4.626 . 0 0 "[ . 1]" 2
295 1 17 DG H2' 1 18 DG H8 2.930 2.340 3.520 2.421 2.336 2.520 0.004 4 0 "[ . 1]" 2
296 1 17 DG H3' 1 17 DG H8 5.270 3.760 6.780 6.193 6.171 6.217 . 0 0 "[ . 1]" 2
297 1 17 DG H3' 1 18 DG H8 4.050 3.360 4.740 4.261 4.098 4.337 . 0 0 "[ . 1]" 2
298 1 17 DG H1' 1 17 DG H4' 3.100 2.310 3.890 3.301 3.019 3.601 . 0 0 "[ . 1]" 2
299 1 17 DG H3' 1 17 DG H4' 2.930 2.310 3.550 2.758 2.690 2.826 . 0 0 "[ . 1]" 2
300 1 17 DG H4' 1 18 DG H8 6.020 4.850 7.190 5.874 5.771 5.949 . 0 0 "[ . 1]" 2
301 1 17 DG H8 1 18 DG H8 4.460 3.870 5.050 4.628 4.499 4.795 . 0 0 "[ . 1]" 2
302 1 18 DG H1' 1 18 DG H8 4.110 2.780 5.440 3.908 3.903 3.913 . 0 0 "[ . 1]" 2
303 1 18 DG H1' 1 19 DG H8 4.460 2.750 6.170 2.976 2.712 3.912 0.038 10 0 "[ . 1]" 2
304 1 17 DG H2' 1 18 DG H2' 3.230 . 4.650 4.664 4.657 4.671 0.021 1 0 "[ . 1]" 2
305 1 18 DG H1' 1 18 DG H2' 2.830 2.390 3.270 3.029 3.025 3.035 . 0 0 "[ . 1]" 2
306 1 18 DG H2' 1 18 DG H3' 2.810 2.350 3.270 2.345 2.328 2.376 0.022 5 0 "[ . 1]" 2
307 1 18 DG H2' 1 18 DG H4' 3.610 3.270 3.950 3.881 3.846 3.900 . 0 0 "[ . 1]" 2
308 1 18 DG H2' 1 18 DG H8 2.670 2.350 2.990 2.568 2.491 2.606 . 0 0 "[ . 1]" 2
309 1 18 DG H1' 1 18 DG H2'' 2.830 2.290 3.370 2.357 2.346 2.377 . 0 0 "[ . 1]" 2
310 1 18 DG H2'' 1 18 DG H3' 2.810 2.250 3.370 2.791 2.739 2.814 . 0 0 "[ . 1]" 2
311 1 18 DG H2'' 1 18 DG H4' 3.610 3.170 4.050 3.795 3.736 3.927 . 0 0 "[ . 1]" 2
312 1 18 DG H2'' 1 18 DG H8 2.670 . 3.990 3.972 3.872 4.003 0.013 6 0 "[ . 1]" 2
313 1 18 DG H2'' 1 19 DG H8 3.190 . 4.490 3.112 1.952 3.658 . 0 0 "[ . 1]" 2
314 1 18 DG H1' 1 18 DG H3' 3.520 3.170 3.870 3.795 3.736 3.819 . 0 0 "[ . 1]" 2
315 1 18 DG H3' 1 18 DG H8 4.110 2.780 5.440 4.418 4.315 4.591 . 0 0 "[ . 1]" 2
316 1 18 DG H3' 1 19 DG H8 5.000 4.430 5.570 5.260 4.530 5.581 0.011 10 0 "[ . 1]" 2
317 1 17 DG H8 1 18 DG H4' 5.010 3.840 6.180 4.242 4.029 4.449 . 0 0 "[ . 1]" 2
318 1 18 DG H1' 1 18 DG H4' 3.010 2.420 3.600 2.809 2.727 2.960 . 0 0 "[ . 1]" 2
319 1 18 DG H3' 1 18 DG H4' 3.330 2.790 3.870 2.899 2.850 2.922 . 0 0 "[ . 1]" 2
320 1 18 DG H4' 1 18 DG H8 4.860 4.440 5.280 4.979 4.943 5.019 . 0 0 "[ . 1]" 2
321 1 18 DG H4' 1 19 DG H8 4.640 3.250 6.030 4.852 4.436 5.970 . 0 0 "[ . 1]" 2
322 1 19 DG H1' 1 19 DG H8 4.250 3.620 4.880 3.884 3.872 3.909 . 0 0 "[ . 1]" 2
323 1 19 DG H1' 1 19 DG H2' 3.130 . 4.430 2.766 2.707 3.001 . 0 0 "[ . 1]" 2
324 1 19 DG H2' 1 19 DG H8 3.670 2.370 4.970 3.190 2.781 3.388 . 0 0 "[ . 1]" 2
325 1 19 DG H1' 1 19 DG H2'' 2.700 . 3.680 2.322 2.285 2.337 . 0 0 "[ . 1]" 2
326 1 19 DG H2'' 1 19 DG H8 3.500 2.770 4.230 4.276 4.220 4.303 0.073 10 0 "[ . 1]" 2
327 1 19 DG H1' 1 19 DG H3' 4.390 3.140 5.640 3.834 3.820 3.898 . 0 0 "[ . 1]" 2
328 1 19 DG H3' 1 19 DG H8 3.030 2.110 3.950 2.349 2.092 3.968 0.018 9 0 "[ . 1]" 2
329 1 18 DG H1' 1 19 DG H4' 3.380 . 5.760 5.290 4.022 5.769 0.009 3 0 "[ . 1]" 2
330 1 19 DG H4' 1 19 DG H8 4.470 3.620 5.320 4.261 4.030 4.762 . 0 0 "[ . 1]" 2
331 1 19 DG H1' 1 19 DG H4' 3.810 2.760 4.860 3.351 2.850 3.549 . 0 0 "[ . 1]" 2
332 1 4 DT H2' 1 4 DT H6 3.420 2.250 4.590 2.461 2.240 2.702 0.010 9 0 "[ . 1]" 2
333 1 13 DG H8 1 14 DG H1' 4.320 3.060 5.580 3.926 3.657 4.250 . 0 0 "[ . 1]" 2
334 1 4 DT H4' 1 5 DT H6 4.250 3.010 5.490 3.780 3.423 4.164 . 0 0 "[ . 1]" 2
335 1 5 DT M7 1 16 DT M7 3.050 . 4.590 2.755 2.561 2.798 . 0 0 "[ . 1]" 2
336 1 8 DG H3' 1 8 DG H4' 3.350 2.370 4.330 2.816 2.786 2.843 . 0 0 "[ . 1]" 2
337 1 7 DG H8 1 8 DG H4' 4.960 4.310 5.610 4.755 4.311 5.201 . 0 0 "[ . 1]" 2
338 1 4 DT H2'' 1 4 DT H3' 2.840 2.460 3.220 2.954 2.923 2.974 . 0 0 "[ . 1]" 2
339 1 6 DG H3' 1 6 DG H4' 3.260 2.360 4.160 2.836 2.806 2.902 . 0 0 "[ . 1]" 2
340 1 6 DG H2' 1 6 DG H3' 2.760 2.420 3.100 2.367 2.350 2.376 0.070 9 0 "[ . 1]" 2
341 1 6 DG H2'' 1 6 DG H3' 3.450 2.520 4.380 2.782 2.755 2.834 . 0 0 "[ . 1]" 2
342 1 15 DG H1' 1 15 DG H2' 2.670 2.320 3.020 2.872 2.717 3.008 . 0 0 "[ . 1]" 2
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