NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
645205 |
6k3y   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6k3y
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 471
_Distance_constraint_stats_list.Viol_count 548
_Distance_constraint_stats_list.Viol_total 431.202
_Distance_constraint_stats_list.Viol_max 0.260
_Distance_constraint_stats_list.Viol_rms 0.0294
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0092
_Distance_constraint_stats_list.Viol_average_violations_only 0.0787
_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 DT 4.544 0.260 9 0 "[ . 1]"
1 2 DT 4.451 0.170 4 0 "[ . 1]"
1 3 DG 5.019 0.260 9 0 "[ . 1]"
1 4 DG 0.000 0.000 . 0 "[ . 1]"
1 5 DT 2.497 0.125 1 0 "[ . 1]"
1 6 DG 3.604 0.128 1 0 "[ . 1]"
1 7 DG 3.256 0.119 7 0 "[ . 1]"
1 8 DG 2.861 0.119 5 0 "[ . 1]"
1 9 DT 2.512 0.150 6 0 "[ . 1]"
1 10 DG 2.687 0.120 3 0 "[ . 1]"
1 11 DG 2.632 0.119 7 0 "[ . 1]"
1 12 DG 2.805 0.143 7 0 "[ . 1]"
1 13 DT 2.528 0.180 10 0 "[ . 1]"
1 14 DG 3.348 0.135 4 0 "[ . 1]"
1 15 DG 2.948 0.130 10 0 "[ . 1]"
1 16 DG 1.408 0.119 10 0 "[ . 1]"
1 17 DT 1.254 0.103 6 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 DT C7 1 6 DG H1 6.100 4.400 7.800 5.704 4.634 7.230 . 0 0 "[ . 1]" 1
2 1 1 DT H1' 1 3 DG H1 4.800 3.400 6.200 4.761 3.647 6.291 0.091 3 0 "[ . 1]" 1
3 1 1 DT H1' 1 6 DG H1 5.600 3.900 7.300 6.619 6.202 7.355 0.055 3 0 "[ . 1]" 1
4 1 1 DT H2' 1 3 DG H1 4.800 3.400 6.200 5.951 3.840 6.392 0.192 6 0 "[ . 1]" 1
5 1 1 DT H2'' 1 3 DG H1 4.800 3.400 6.200 6.070 5.060 6.460 0.260 9 0 "[ . 1]" 1
6 1 1 DT H4' 1 3 DG H1 4.800 3.400 6.200 4.242 3.332 6.128 0.068 9 0 "[ . 1]" 1
7 1 1 DT H6 1 10 DG H1 5.600 3.900 7.300 6.128 4.917 7.026 . 0 0 "[ . 1]" 1
8 1 2 DT C7 1 10 DG H1 6.100 4.400 7.800 7.648 7.268 7.863 0.063 6 0 "[ . 1]" 1
9 1 2 DT C7 1 14 DG H1 6.100 4.400 7.800 5.708 5.343 6.387 . 0 0 "[ . 1]" 1
10 1 2 DT H1' 1 14 DG H1 4.800 3.400 6.200 6.017 4.873 6.225 0.025 6 0 "[ . 1]" 1
11 1 2 DT H6 1 14 DG H1 5.600 3.900 7.300 5.237 4.851 5.645 . 0 0 "[ . 1]" 1
12 1 3 DG H8 1 14 DG H1 4.800 3.400 6.200 4.983 4.749 5.486 . 0 0 "[ . 1]" 1
13 1 3 DG H8 1 15 DG H1 5.600 3.900 7.300 4.675 4.439 4.884 . 0 0 "[ . 1]" 1
14 1 3 DG H1 1 4 DG H1 4.000 2.800 5.200 3.911 3.735 4.126 . 0 0 "[ . 1]" 1
15 1 4 DG H8 1 15 DG H1 4.800 3.400 6.200 4.234 4.056 4.625 . 0 0 "[ . 1]" 1
16 1 4 DG H8 1 16 DG H1 5.600 3.900 7.300 4.882 4.550 5.691 . 0 0 "[ . 1]" 1
17 1 3 DG H1 1 6 DG H8 4.800 3.400 6.200 4.966 4.583 5.416 . 0 0 "[ . 1]" 1
18 1 4 DG H1 1 6 DG H8 5.600 3.900 7.300 6.160 5.817 6.999 . 0 0 "[ . 1]" 1
19 1 6 DG H1 1 7 DG H1 4.000 2.800 5.200 3.872 3.713 4.004 . 0 0 "[ . 1]" 1
20 1 4 DG H1 1 7 DG H8 4.800 3.400 6.200 5.543 5.234 6.138 . 0 0 "[ . 1]" 1
21 1 7 DG H1 1 8 DG H1 4.000 2.800 5.200 3.863 3.682 4.160 . 0 0 "[ . 1]" 1
22 1 6 DG H1 1 10 DG H8 4.800 3.400 6.200 4.921 4.523 5.153 . 0 0 "[ . 1]" 1
23 1 7 DG H1 1 10 DG H8 5.600 3.900 7.300 4.985 4.754 5.240 . 0 0 "[ . 1]" 1
24 1 10 DG H1 1 11 DG H1 4.000 2.800 5.200 3.825 3.541 4.062 . 0 0 "[ . 1]" 1
25 1 7 DG H1 1 11 DG H8 4.800 3.400 6.200 4.355 4.187 4.672 . 0 0 "[ . 1]" 1
26 1 8 DG H1 1 11 DG H8 5.600 3.900 7.300 5.227 4.821 6.023 . 0 0 "[ . 1]" 1
27 1 11 DG H1 1 12 DG H1 4.000 2.800 5.200 3.920 3.661 4.198 . 0 0 "[ . 1]" 1
28 1 8 DG H1 1 12 DG H8 4.800 3.400 6.200 4.585 3.939 5.989 . 0 0 "[ . 1]" 1
29 1 10 DG H1 1 14 DG H8 4.800 3.400 6.200 5.336 4.731 5.712 . 0 0 "[ . 1]" 1
30 1 11 DG H1 1 14 DG H8 5.600 3.900 7.300 5.775 5.205 6.003 . 0 0 "[ . 1]" 1
31 1 14 DG H1 1 15 DG H1 4.000 2.800 5.200 3.928 3.683 4.144 . 0 0 "[ . 1]" 1
32 1 11 DG H1 1 15 DG H8 4.800 3.400 6.200 5.291 5.052 5.584 . 0 0 "[ . 1]" 1
33 1 12 DG H1 1 15 DG H8 5.600 3.900 7.300 5.724 5.030 6.369 . 0 0 "[ . 1]" 1
34 1 15 DG H1 1 16 DG H1 4.000 2.800 5.200 4.211 3.959 4.417 . 0 0 "[ . 1]" 1
35 1 12 DG H1 1 16 DG H8 4.800 3.400 6.200 5.141 4.538 5.846 . 0 0 "[ . 1]" 1
36 1 1 DT C7 1 1 DT H6 2.700 . 3.500 2.659 2.656 2.661 . 0 0 "[ . 1]" 1
37 1 1 DT C7 1 10 DG H8 6.000 4.300 7.700 7.079 6.160 7.642 . 0 0 "[ . 1]" 1
38 1 1 DT H1' 1 1 DT H6 3.800 2.900 4.700 3.656 3.269 3.731 . 0 0 "[ . 1]" 1
39 1 1 DT H1' 1 2 DT H6 5.500 3.800 7.200 4.833 3.943 5.860 . 0 0 "[ . 1]" 1
40 1 1 DT H1' 1 1 DT H2' 2.700 . 3.500 3.027 3.020 3.029 . 0 0 "[ . 1]" 1
41 1 1 DT H2' 1 1 DT H2'' 2.700 . 3.500 1.798 1.796 1.799 0.104 9 0 "[ . 1]" 1
42 1 1 DT H2' 1 1 DT H3' 2.700 . 3.500 2.338 2.313 2.361 . 0 0 "[ . 1]" 1
43 1 1 DT H2' 1 1 DT H4' 5.500 3.800 7.200 3.857 3.817 3.888 . 0 0 "[ . 1]" 1
44 1 1 DT H2' 1 1 DT H6 2.700 . 3.500 2.461 2.171 3.441 . 0 0 "[ . 1]" 1
45 1 1 DT H2' 1 2 DT H6 5.500 3.800 7.200 6.181 5.449 7.213 0.013 3 0 "[ . 1]" 1
46 1 1 DT H1' 1 1 DT H2'' 2.700 . 3.500 2.326 2.197 2.653 . 0 0 "[ . 1]" 1
47 1 1 DT H2'' 1 1 DT H3' 2.700 . 3.500 2.806 2.257 2.992 . 0 0 "[ . 1]" 1
48 1 1 DT H2'' 1 1 DT H4' 4.600 3.400 5.800 3.920 3.747 4.028 . 0 0 "[ . 1]" 1
49 1 1 DT H2'' 1 1 DT H6 3.800 2.900 4.700 3.734 2.857 4.557 0.043 1 0 "[ . 1]" 1
50 1 1 DT H2'' 1 2 DT H6 5.500 3.800 7.200 4.652 3.950 6.512 . 0 0 "[ . 1]" 1
51 1 1 DT H1' 1 1 DT H3' 4.600 3.400 5.800 3.818 3.802 3.848 . 0 0 "[ . 1]" 1
52 1 1 DT H3' 1 1 DT H6 3.800 2.900 4.700 4.200 3.956 4.716 0.016 3 0 "[ . 1]" 1
53 1 1 DT H3' 1 2 DT H6 5.500 3.800 7.200 5.857 4.710 6.632 . 0 0 "[ . 1]" 1
54 1 1 DT H1' 1 1 DT H4' 3.800 2.900 4.700 3.027 2.888 3.272 0.012 6 0 "[ . 1]" 1
55 1 1 DT H3' 1 1 DT H4' 2.700 . 3.500 2.847 2.768 2.901 . 0 0 "[ . 1]" 1
56 1 1 DT H4' 1 1 DT H6 4.600 3.400 5.800 4.602 4.200 5.468 . 0 0 "[ . 1]" 1
57 1 1 DT H4' 1 2 DT H6 5.500 3.800 7.200 5.803 3.901 6.337 . 0 0 "[ . 1]" 1
58 1 1 DT H3' 1 1 DT H5' 3.800 2.900 4.700 3.556 2.742 3.656 0.158 3 0 "[ . 1]" 1
59 1 1 DT H4' 1 1 DT H5' 2.700 . 3.500 2.450 2.414 2.459 . 0 0 "[ . 1]" 1
60 1 1 DT H5' 1 1 DT H6 4.600 3.400 5.800 4.336 3.678 5.810 0.010 1 0 "[ . 1]" 1
61 1 1 DT H3' 1 1 DT H5'' 2.700 . 3.500 2.497 2.441 2.566 . 0 0 "[ . 1]" 1
62 1 1 DT H4' 1 1 DT H5'' 2.700 . 3.500 2.525 2.463 3.032 . 0 0 "[ . 1]" 1
63 1 1 DT H5' 1 1 DT H5'' 2.700 . 3.500 1.781 1.780 1.783 0.120 6 0 "[ . 1]" 1
64 1 1 DT H5'' 1 1 DT H6 4.600 3.400 5.800 4.685 3.590 5.833 0.033 1 0 "[ . 1]" 1
65 1 1 DT H1' 1 2 DT C7 5.100 3.900 6.300 5.149 3.896 6.317 0.017 6 0 "[ . 1]" 1
66 1 1 DT H2'' 1 2 DT C7 6.000 4.300 7.700 4.894 4.283 7.462 0.017 1 0 "[ . 1]" 1
67 1 1 DT H3' 1 2 DT C7 6.000 4.300 7.700 6.747 4.930 7.708 0.008 10 0 "[ . 1]" 1
68 1 1 DT H4' 1 2 DT C7 6.000 4.300 7.700 6.902 4.287 7.739 0.039 1 0 "[ . 1]" 1
69 1 1 DT H6 1 2 DT C7 6.000 4.300 7.700 7.290 5.719 7.735 0.035 3 0 "[ . 1]" 1
70 1 2 DT C7 1 2 DT H6 2.700 . 3.500 2.659 2.656 2.660 . 0 0 "[ . 1]" 1
71 1 2 DT C7 1 14 DG H1' 6.000 4.300 7.700 5.439 4.729 6.159 . 0 0 "[ . 1]" 1
72 1 2 DT C7 1 14 DG H8 6.000 4.300 7.700 6.782 6.032 7.158 . 0 0 "[ . 1]" 1
73 1 2 DT H1' 1 2 DT H6 3.800 2.900 4.700 3.671 3.533 3.731 . 0 0 "[ . 1]" 1
74 1 2 DT H1' 1 3 DG H8 5.500 3.800 7.200 3.732 3.705 3.768 0.095 4 0 "[ . 1]" 1
75 1 2 DT H1' 1 2 DT H2' 2.700 . 3.500 3.013 2.976 3.021 . 0 0 "[ . 1]" 1
76 1 2 DT H2' 1 2 DT H2'' 2.700 . 3.500 1.796 1.795 1.797 0.105 6 0 "[ . 1]" 1
77 1 2 DT H2' 1 2 DT H3' 2.700 . 3.500 2.306 2.272 2.327 . 0 0 "[ . 1]" 1
78 1 2 DT H2' 1 2 DT H4' 5.500 3.800 7.200 3.890 3.871 3.909 . 0 0 "[ . 1]" 1
79 1 2 DT H2' 1 2 DT H6 2.700 . 3.500 2.784 2.279 3.517 0.017 3 0 "[ . 1]" 1
80 1 2 DT H1' 1 2 DT H2'' 2.700 . 3.500 2.377 2.345 2.394 . 0 0 "[ . 1]" 1
81 1 2 DT H2'' 1 2 DT H3' 2.700 . 3.500 2.794 2.753 2.869 . 0 0 "[ . 1]" 1
82 1 2 DT H2'' 1 2 DT H4' 4.600 3.400 5.800 3.840 3.442 3.977 . 0 0 "[ . 1]" 1
83 1 2 DT H2'' 1 2 DT H6 3.800 2.900 4.700 4.145 3.789 4.627 . 0 0 "[ . 1]" 1
84 1 2 DT H2'' 1 3 DG H8 4.600 3.400 5.800 5.522 4.861 5.738 . 0 0 "[ . 1]" 1
85 1 2 DT H1' 1 2 DT H3' 4.600 3.400 5.800 3.855 3.827 3.919 . 0 0 "[ . 1]" 1
86 1 2 DT H3' 1 2 DT H6 3.800 2.900 4.700 4.147 3.917 4.369 . 0 0 "[ . 1]" 1
87 1 2 DT H3' 1 3 DG H8 5.500 3.800 7.200 5.299 5.018 5.486 . 0 0 "[ . 1]" 1
88 1 2 DT H1' 1 2 DT H4' 3.800 2.900 4.700 3.003 2.823 3.136 0.077 3 0 "[ . 1]" 1
89 1 2 DT H3' 1 2 DT H4' 2.700 . 3.500 2.885 2.830 2.989 . 0 0 "[ . 1]" 1
90 1 2 DT H4' 1 2 DT H6 4.600 3.400 5.800 4.395 4.235 4.593 . 0 0 "[ . 1]" 1
91 1 1 DT H4' 1 2 DT H5' 5.500 3.800 7.200 4.403 3.739 6.539 0.061 5 0 "[ . 1]" 1
92 1 2 DT H3' 1 2 DT H5' 3.800 2.900 4.700 3.362 2.730 3.628 0.170 4 0 "[ . 1]" 1
93 1 2 DT H4' 1 2 DT H5' 2.700 . 3.500 2.391 2.341 2.458 . 0 0 "[ . 1]" 1
94 1 2 DT H5' 1 2 DT H6 4.600 3.400 5.800 4.257 3.742 4.802 . 0 0 "[ . 1]" 1
95 1 2 DT H5' 1 3 DG H8 5.500 3.800 7.200 3.818 3.720 4.072 0.080 8 0 "[ . 1]" 1
96 1 1 DT H4' 1 2 DT H5'' 5.500 3.800 7.200 5.095 4.505 6.311 . 0 0 "[ . 1]" 1
97 1 2 DT H3' 1 2 DT H5'' 2.700 . 3.500 2.389 2.310 2.528 . 0 0 "[ . 1]" 1
98 1 2 DT H4' 1 2 DT H5'' 2.700 . 3.500 2.685 2.452 3.038 . 0 0 "[ . 1]" 1
99 1 2 DT H5' 1 2 DT H5'' 2.700 . 3.500 1.782 1.779 1.786 0.121 5 0 "[ . 1]" 1
100 1 2 DT H5'' 1 2 DT H6 3.800 2.900 4.700 4.145 3.321 4.647 . 0 0 "[ . 1]" 1
101 1 2 DT H5'' 1 3 DG H8 5.500 3.800 7.200 4.784 4.554 5.039 . 0 0 "[ . 1]" 1
102 1 3 DG H1' 1 3 DG H8 3.800 2.900 4.700 3.902 3.890 3.908 . 0 0 "[ . 1]" 1
103 1 3 DG H1' 1 4 DG H8 3.800 2.900 4.700 3.218 3.020 3.463 . 0 0 "[ . 1]" 1
104 1 3 DG H1' 1 3 DG H2' 2.700 . 3.500 3.020 3.009 3.024 . 0 0 "[ . 1]" 1
105 1 3 DG H2' 1 3 DG H2'' 2.700 . 3.500 1.797 1.796 1.798 0.104 10 0 "[ . 1]" 1
106 1 3 DG H2' 1 3 DG H3' 2.700 . 3.500 2.346 2.332 2.356 . 0 0 "[ . 1]" 1
107 1 3 DG H2' 1 3 DG H4' 5.500 3.800 7.200 3.854 3.836 3.874 . 0 0 "[ . 1]" 1
108 1 3 DG H2' 1 3 DG H8 2.700 . 3.500 2.314 2.199 2.501 . 0 0 "[ . 1]" 1
109 1 3 DG H2' 1 4 DG H8 3.800 2.900 4.700 3.429 3.285 3.673 . 0 0 "[ . 1]" 1
110 1 3 DG H1' 1 3 DG H2'' 2.700 . 3.500 2.380 2.192 2.465 . 0 0 "[ . 1]" 1
111 1 3 DG H2'' 1 3 DG H3' 2.700 . 3.500 2.737 2.628 2.936 . 0 0 "[ . 1]" 1
112 1 3 DG H2'' 1 3 DG H8 3.800 2.900 4.700 3.807 3.657 4.003 . 0 0 "[ . 1]" 1
113 1 3 DG H2'' 1 4 DG H8 2.700 . 3.500 2.258 2.192 2.430 . 0 0 "[ . 1]" 1
114 1 3 DG H1' 1 3 DG H3' 3.800 2.900 4.700 3.862 3.845 3.906 . 0 0 "[ . 1]" 1
115 1 3 DG H3' 1 3 DG H8 3.800 2.900 4.700 4.252 4.144 4.302 . 0 0 "[ . 1]" 1
116 1 3 DG H3' 1 4 DG H8 5.500 3.800 7.200 4.973 4.776 5.352 . 0 0 "[ . 1]" 1
117 1 3 DG H1' 1 3 DG H4' 3.800 2.900 4.700 3.277 3.130 3.504 . 0 0 "[ . 1]" 1
118 1 3 DG H3' 1 3 DG H4' 2.700 . 3.500 2.787 2.731 2.831 . 0 0 "[ . 1]" 1
119 1 3 DG H4' 1 3 DG H8 5.500 3.800 7.200 4.861 4.765 4.923 . 0 0 "[ . 1]" 1
120 1 3 DG H3' 1 3 DG H5' 3.800 2.900 4.700 3.637 3.628 3.651 . 0 0 "[ . 1]" 1
121 1 3 DG H4' 1 3 DG H5' 2.700 . 3.500 2.407 2.394 2.422 . 0 0 "[ . 1]" 1
122 1 3 DG H5' 1 3 DG H8 4.600 3.400 5.800 4.299 3.994 4.480 . 0 0 "[ . 1]" 1
123 1 3 DG H3' 1 3 DG H5'' 2.700 . 3.500 2.406 2.384 2.429 . 0 0 "[ . 1]" 1
124 1 3 DG H4' 1 3 DG H5'' 2.700 . 3.500 2.512 2.497 2.527 . 0 0 "[ . 1]" 1
125 1 3 DG H5' 1 3 DG H5'' 2.700 . 3.500 1.782 1.780 1.782 0.120 4 0 "[ . 1]" 1
126 1 3 DG H5'' 1 3 DG H8 3.800 2.900 4.700 4.599 4.188 4.762 0.062 4 0 "[ . 1]" 1
127 1 4 DG H1' 1 4 DG H8 3.800 2.900 4.700 3.909 3.842 3.920 . 0 0 "[ . 1]" 1
128 1 4 DG H1' 1 4 DG H2' 2.700 . 3.500 3.028 3.021 3.031 . 0 0 "[ . 1]" 1
129 1 4 DG H2' 1 4 DG H3' 2.700 . 3.500 2.351 2.320 2.364 . 0 0 "[ . 1]" 1
130 1 4 DG H2' 1 4 DG H8 2.700 . 3.500 2.637 2.486 3.169 . 0 0 "[ . 1]" 1
131 1 4 DG H1' 1 4 DG H2'' 2.700 . 3.500 2.451 2.190 2.610 . 0 0 "[ . 1]" 1
132 1 4 DG H2'' 1 4 DG H3' 2.700 . 3.500 2.659 2.357 2.983 . 0 0 "[ . 1]" 1
133 1 4 DG H2'' 1 4 DG H8 3.800 2.900 4.700 4.072 3.842 4.623 . 0 0 "[ . 1]" 1
134 1 4 DG H1' 1 4 DG H3' 3.800 2.900 4.700 3.802 3.777 3.846 . 0 0 "[ . 1]" 1
135 1 4 DG H3' 1 4 DG H8 4.600 3.400 5.800 4.516 4.333 4.801 . 0 0 "[ . 1]" 1
136 1 4 DG H1' 1 4 DG H4' 3.800 2.900 4.700 3.092 3.009 3.234 . 0 0 "[ . 1]" 1
137 1 4 DG H3' 1 4 DG H4' 2.700 . 3.500 2.820 2.782 2.857 . 0 0 "[ . 1]" 1
138 1 4 DG H4' 1 4 DG H8 5.500 3.800 7.200 4.840 4.552 4.919 . 0 0 "[ . 1]" 1
139 1 3 DG H8 1 4 DG H8 4.600 3.400 5.800 4.618 4.294 4.878 . 0 0 "[ . 1]" 1
140 1 5 DT C7 1 5 DT H6 2.700 . 3.500 2.659 2.658 2.660 . 0 0 "[ . 1]" 1
141 1 5 DT H1' 1 5 DT H6 3.800 2.900 4.700 3.731 3.728 3.733 . 0 0 "[ . 1]" 1
142 1 5 DT H1' 1 5 DT H2' 2.700 . 3.500 3.027 3.022 3.029 . 0 0 "[ . 1]" 1
143 1 5 DT H2' 1 5 DT H2'' 2.700 . 3.500 1.797 1.796 1.798 0.104 6 0 "[ . 1]" 1
144 1 5 DT H2' 1 5 DT H3' 2.700 . 3.500 2.329 2.306 2.342 . 0 0 "[ . 1]" 1
145 1 5 DT H2' 1 5 DT H4' 5.500 3.800 7.200 3.869 3.856 3.889 . 0 0 "[ . 1]" 1
146 1 5 DT H2' 1 5 DT H6 2.700 . 3.500 2.243 2.199 2.346 . 0 0 "[ . 1]" 1
147 1 5 DT H1' 1 5 DT H2'' 2.700 . 3.500 2.370 2.279 2.419 . 0 0 "[ . 1]" 1
148 1 5 DT H2'' 1 5 DT H3' 2.700 . 3.500 2.813 2.754 2.910 . 0 0 "[ . 1]" 1
149 1 5 DT H2'' 1 5 DT H4' 5.500 3.800 7.200 3.899 3.793 3.963 0.007 7 0 "[ . 1]" 1
150 1 5 DT H2'' 1 5 DT H6 3.800 2.900 4.700 3.712 3.597 3.821 . 0 0 "[ . 1]" 1
151 1 5 DT H1' 1 5 DT H3' 3.800 2.900 4.700 3.819 3.809 3.848 . 0 0 "[ . 1]" 1
152 1 5 DT H3' 1 5 DT H6 4.600 3.400 5.800 4.024 3.928 4.121 . 0 0 "[ . 1]" 1
153 1 5 DT H3' 1 6 DG H8 5.500 3.800 7.200 5.126 4.442 5.772 . 0 0 "[ . 1]" 1
154 1 5 DT H1' 1 5 DT H4' 3.800 2.900 4.700 2.942 2.851 3.022 0.049 7 0 "[ . 1]" 1
155 1 5 DT H3' 1 5 DT H4' 2.700 . 3.500 2.872 2.843 2.917 . 0 0 "[ . 1]" 1
156 1 5 DT H4' 1 5 DT H6 4.600 3.400 5.800 4.629 4.554 4.664 . 0 0 "[ . 1]" 1
157 1 5 DT H4' 1 6 DG H8 5.500 3.800 7.200 5.901 3.865 6.657 . 0 0 "[ . 1]" 1
158 1 5 DT H3' 1 5 DT H5' 3.800 2.900 4.700 3.468 2.775 3.646 0.125 1 0 "[ . 1]" 1
159 1 5 DT H4' 1 5 DT H5' 2.700 . 3.500 2.433 2.376 2.492 . 0 0 "[ . 1]" 1
160 1 5 DT H5' 1 5 DT H6 4.600 3.400 5.800 4.425 4.019 4.985 . 0 0 "[ . 1]" 1
161 1 5 DT H3' 1 5 DT H5'' 2.700 . 3.500 2.499 2.367 2.619 . 0 0 "[ . 1]" 1
162 1 5 DT H4' 1 5 DT H5'' 2.700 . 3.500 2.583 2.425 3.033 . 0 0 "[ . 1]" 1
163 1 5 DT H5' 1 5 DT H5'' 2.700 . 3.500 1.783 1.781 1.785 0.119 9 0 "[ . 1]" 1
164 1 5 DT H5'' 1 5 DT H6 4.600 3.400 5.800 4.534 3.418 4.887 . 0 0 "[ . 1]" 1
165 1 6 DG H1' 1 6 DG H8 3.800 2.900 4.700 3.888 3.878 3.899 . 0 0 "[ . 1]" 1
166 1 6 DG H1' 1 7 DG H8 3.800 2.900 4.700 3.596 3.407 3.748 . 0 0 "[ . 1]" 1
167 1 6 DG H1' 1 6 DG H2' 2.700 . 3.500 3.023 3.020 3.028 . 0 0 "[ . 1]" 1
168 1 6 DG H2' 1 6 DG H2'' 2.700 . 3.500 1.797 1.796 1.799 0.104 5 0 "[ . 1]" 1
169 1 6 DG H2' 1 6 DG H3' 2.700 . 3.500 2.330 2.319 2.347 . 0 0 "[ . 1]" 1
170 1 6 DG H2' 1 6 DG H4' 5.500 3.800 7.200 3.874 3.850 3.888 . 0 0 "[ . 1]" 1
171 1 6 DG H2' 1 6 DG H8 2.700 . 3.500 2.861 2.799 2.917 . 0 0 "[ . 1]" 1
172 1 6 DG H2' 1 7 DG H8 3.800 2.900 4.700 3.206 3.130 3.432 . 0 0 "[ . 1]" 1
173 1 6 DG H1' 1 6 DG H2'' 2.700 . 3.500 2.500 2.452 2.533 . 0 0 "[ . 1]" 1
174 1 6 DG H2'' 1 6 DG H3' 2.700 . 3.500 2.603 2.536 2.687 . 0 0 "[ . 1]" 1
175 1 6 DG H2'' 1 6 DG H4' 5.500 3.800 7.200 3.889 3.870 3.924 . 0 0 "[ . 1]" 1
176 1 6 DG H2'' 1 6 DG H8 3.800 2.900 4.700 4.346 4.311 4.390 . 0 0 "[ . 1]" 1
177 1 6 DG H2'' 1 7 DG H8 2.700 . 3.500 2.201 2.199 2.202 . 0 0 "[ . 1]" 1
178 1 6 DG H1' 1 6 DG H3' 4.600 3.400 5.800 3.850 3.822 3.864 . 0 0 "[ . 1]" 1
179 1 6 DG H3' 1 6 DG H8 3.800 2.900 4.700 4.489 4.430 4.599 . 0 0 "[ . 1]" 1
180 1 6 DG H3' 1 7 DG H8 3.800 2.900 4.700 4.706 4.685 4.717 0.017 8 0 "[ . 1]" 1
181 1 6 DG H1' 1 6 DG H4' 3.800 2.900 4.700 3.115 3.067 3.182 . 0 0 "[ . 1]" 1
182 1 6 DG H3' 1 6 DG H4' 2.700 . 3.500 2.834 2.803 2.856 . 0 0 "[ . 1]" 1
183 1 6 DG H4' 1 6 DG H8 4.600 3.400 5.800 4.698 4.686 4.717 . 0 0 "[ . 1]" 1
184 1 6 DG H3' 1 6 DG H5' 3.800 2.900 4.700 3.459 2.772 3.633 0.128 1 0 "[ . 1]" 1
185 1 6 DG H4' 1 6 DG H5' 2.700 . 3.500 2.544 2.407 3.038 . 0 0 "[ . 1]" 1
186 1 6 DG H5' 1 6 DG H8 3.800 2.900 4.700 3.869 2.929 4.150 . 0 0 "[ . 1]" 1
187 1 6 DG H3' 1 6 DG H5'' 2.700 . 3.500 2.680 2.416 3.627 0.127 8 0 "[ . 1]" 1
188 1 6 DG H4' 1 6 DG H5'' 2.700 . 3.500 2.479 2.388 2.514 . 0 0 "[ . 1]" 1
189 1 6 DG H5' 1 6 DG H5'' 2.700 . 3.500 1.781 1.778 1.783 0.122 8 0 "[ . 1]" 1
190 1 6 DG H5'' 1 6 DG H8 3.800 2.900 4.700 4.620 4.062 4.773 0.073 7 0 "[ . 1]" 1
191 1 7 DG H1' 1 7 DG H8 3.800 2.900 4.700 3.904 3.900 3.910 . 0 0 "[ . 1]" 1
192 1 7 DG H1' 1 8 DG H8 3.800 2.900 4.700 3.805 3.646 3.932 . 0 0 "[ . 1]" 1
193 1 7 DG H1' 1 7 DG H2' 2.700 . 3.500 3.023 3.020 3.026 . 0 0 "[ . 1]" 1
194 1 7 DG H2' 1 7 DG H2'' 2.700 . 3.500 1.797 1.796 1.798 0.104 6 0 "[ . 1]" 1
195 1 7 DG H2' 1 7 DG H3' 2.700 . 3.500 2.311 2.308 2.328 . 0 0 "[ . 1]" 1
196 1 7 DG H2' 1 7 DG H4' 5.500 3.800 7.200 3.887 3.876 3.892 . 0 0 "[ . 1]" 1
197 1 7 DG H2' 1 7 DG H8 2.700 . 3.500 2.765 2.666 2.787 . 0 0 "[ . 1]" 1
198 1 7 DG H2' 1 8 DG H8 3.800 2.900 4.700 3.212 3.063 3.358 . 0 0 "[ . 1]" 1
199 1 7 DG H1' 1 7 DG H2'' 2.700 . 3.500 2.410 2.370 2.475 . 0 0 "[ . 1]" 1
200 1 7 DG H2'' 1 7 DG H3' 2.700 . 3.500 2.774 2.693 2.826 . 0 0 "[ . 1]" 1
201 1 7 DG H2'' 1 7 DG H8 3.800 2.900 4.700 4.211 4.114 4.258 . 0 0 "[ . 1]" 1
202 1 7 DG H2'' 1 8 DG H8 2.700 . 3.500 2.258 2.199 2.390 . 0 0 "[ . 1]" 1
203 1 7 DG H1' 1 7 DG H3' 3.800 2.900 4.700 3.846 3.834 3.855 . 0 0 "[ . 1]" 1
204 1 7 DG H3' 1 7 DG H8 4.600 3.400 5.800 4.368 4.336 4.408 . 0 0 "[ . 1]" 1
205 1 7 DG H3' 1 8 DG H8 4.600 3.400 5.800 4.848 4.663 4.993 . 0 0 "[ . 1]" 1
206 1 7 DG H1' 1 7 DG H4' 3.800 2.900 4.700 2.900 2.864 3.032 0.036 7 0 "[ . 1]" 1
207 1 7 DG H3' 1 7 DG H4' 2.700 . 3.500 2.897 2.855 2.907 . 0 0 "[ . 1]" 1
208 1 7 DG H4' 1 7 DG H8 5.500 3.800 7.200 4.828 4.817 4.854 . 0 0 "[ . 1]" 1
209 1 6 DG H1' 1 7 DG H5' 5.500 3.800 7.200 3.757 3.739 3.767 0.061 6 0 "[ . 1]" 1
210 1 7 DG H3' 1 7 DG H5' 3.800 2.900 4.700 3.634 3.633 3.636 . 0 0 "[ . 1]" 1
211 1 7 DG H4' 1 7 DG H5' 2.700 . 3.500 2.422 2.406 2.432 . 0 0 "[ . 1]" 1
212 1 7 DG H5' 1 7 DG H8 5.500 3.800 7.200 4.489 4.333 4.554 . 0 0 "[ . 1]" 1
213 1 6 DG H1' 1 7 DG H5'' 5.500 3.800 7.200 5.286 5.253 5.317 . 0 0 "[ . 1]" 1
214 1 7 DG H3' 1 7 DG H5'' 2.700 . 3.500 2.507 2.481 2.527 . 0 0 "[ . 1]" 1
215 1 7 DG H4' 1 7 DG H5'' 2.700 . 3.500 2.497 2.489 2.514 . 0 0 "[ . 1]" 1
216 1 7 DG H5' 1 7 DG H5'' 2.700 . 3.500 1.782 1.781 1.783 0.119 7 0 "[ . 1]" 1
217 1 7 DG H5'' 1 7 DG H8 5.500 3.800 7.200 5.076 4.932 5.146 . 0 0 "[ . 1]" 1
218 1 6 DG H8 1 7 DG H8 5.500 3.800 7.200 5.211 5.103 5.367 . 0 0 "[ . 1]" 1
219 1 8 DG H1' 1 8 DG H8 3.800 2.900 4.700 3.909 3.899 3.917 . 0 0 "[ . 1]" 1
220 1 8 DG H1' 1 8 DG H2' 2.700 . 3.500 3.022 3.014 3.028 . 0 0 "[ . 1]" 1
221 1 8 DG H2' 1 8 DG H3' 2.700 . 3.500 2.317 2.295 2.344 . 0 0 "[ . 1]" 1
222 1 8 DG H2' 1 8 DG H4' 5.500 3.800 7.200 3.881 3.854 3.904 . 0 0 "[ . 1]" 1
223 1 8 DG H2' 1 8 DG H8 2.700 . 3.500 2.699 2.587 2.835 . 0 0 "[ . 1]" 1
224 1 8 DG H1' 1 8 DG H2'' 2.700 . 3.500 2.365 2.261 2.410 . 0 0 "[ . 1]" 1
225 1 8 DG H2' 1 8 DG H2'' 2.700 . 3.500 1.797 1.795 1.798 0.105 6 0 "[ . 1]" 1
226 1 8 DG H2'' 1 8 DG H3' 2.700 . 3.500 2.818 2.750 2.942 . 0 0 "[ . 1]" 1
227 1 8 DG H2'' 1 8 DG H4' 5.500 3.800 7.200 3.856 3.775 3.964 0.025 5 0 "[ . 1]" 1
228 1 8 DG H2'' 1 8 DG H8 3.800 2.900 4.700 4.117 4.016 4.213 . 0 0 "[ . 1]" 1
229 1 8 DG H1' 1 8 DG H3' 3.800 2.900 4.700 3.838 3.805 3.869 . 0 0 "[ . 1]" 1
230 1 8 DG H3' 1 8 DG H8 4.600 3.400 5.800 4.365 4.232 4.491 . 0 0 "[ . 1]" 1
231 1 8 DG H1' 1 8 DG H4' 3.800 2.900 4.700 2.940 2.872 3.034 0.028 8 0 "[ . 1]" 1
232 1 8 DG H3' 1 8 DG H4' 2.700 . 3.500 2.884 2.840 2.922 . 0 0 "[ . 1]" 1
233 1 8 DG H4' 1 8 DG H8 5.500 3.800 7.200 4.849 4.809 4.890 . 0 0 "[ . 1]" 1
234 1 7 DG H1' 1 8 DG H5' 4.600 3.400 5.800 3.361 3.328 3.374 0.072 7 0 "[ . 1]" 1
235 1 8 DG H3' 1 8 DG H5' 3.800 2.900 4.700 3.631 3.627 3.635 . 0 0 "[ . 1]" 1
236 1 8 DG H4' 1 8 DG H5' 2.700 . 3.500 2.422 2.398 2.437 . 0 0 "[ . 1]" 1
237 1 8 DG H5' 1 8 DG H8 5.500 3.800 7.200 4.489 4.428 4.558 . 0 0 "[ . 1]" 1
238 1 7 DG H1' 1 8 DG H5'' 5.500 3.800 7.200 4.971 4.929 5.004 . 0 0 "[ . 1]" 1
239 1 8 DG H3' 1 8 DG H5'' 2.700 . 3.500 2.494 2.403 2.557 . 0 0 "[ . 1]" 1
240 1 8 DG H4' 1 8 DG H5'' 2.700 . 3.500 2.497 2.483 2.525 . 0 0 "[ . 1]" 1
241 1 8 DG H5' 1 8 DG H5'' 2.700 . 3.500 1.782 1.781 1.783 0.119 5 0 "[ . 1]" 1
242 1 8 DG H5'' 1 8 DG H8 5.500 3.800 7.200 5.049 4.933 5.142 . 0 0 "[ . 1]" 1
243 1 9 DT C7 1 9 DT H1' 6.000 4.300 7.700 5.791 5.442 5.832 . 0 0 "[ . 1]" 1
244 1 9 DT C7 1 9 DT H6 2.700 . 3.500 2.659 2.657 2.660 . 0 0 "[ . 1]" 1
245 1 9 DT H1' 1 9 DT H6 3.800 2.900 4.700 3.677 3.198 3.733 . 0 0 "[ . 1]" 1
246 1 9 DT H1' 1 9 DT H2' 2.700 . 3.500 3.027 3.019 3.031 . 0 0 "[ . 1]" 1
247 1 9 DT H2' 1 9 DT H2'' 2.700 . 3.500 1.798 1.797 1.800 0.103 10 0 "[ . 1]" 1
248 1 9 DT H2' 1 9 DT H3' 2.700 . 3.500 2.347 2.322 2.372 . 0 0 "[ . 1]" 1
249 1 9 DT H2' 1 9 DT H4' 5.500 3.800 7.200 3.850 3.809 3.882 . 0 0 "[ . 1]" 1
250 1 9 DT H2' 1 9 DT H6 2.700 . 3.500 2.254 2.192 2.438 . 0 0 "[ . 1]" 1
251 1 9 DT H1' 1 9 DT H2'' 2.700 . 3.500 2.411 2.309 2.614 . 0 0 "[ . 1]" 1
252 1 9 DT H2'' 1 9 DT H3' 2.700 . 3.500 2.724 2.323 2.870 . 0 0 "[ . 1]" 1
253 1 9 DT H2'' 1 9 DT H4' 5.500 3.800 7.200 3.956 3.817 4.023 . 0 0 "[ . 1]" 1
254 1 9 DT H2'' 1 9 DT H6 3.800 2.900 4.700 3.644 2.843 3.980 0.057 6 0 "[ . 1]" 1
255 1 9 DT H1' 1 9 DT H3' 3.800 2.900 4.700 3.821 3.793 3.871 . 0 0 "[ . 1]" 1
256 1 9 DT H3' 1 9 DT H6 4.600 3.400 5.800 4.118 4.019 4.466 . 0 0 "[ . 1]" 1
257 1 9 DT H1' 1 9 DT H4' 3.800 2.900 4.700 3.101 2.943 3.481 . 0 0 "[ . 1]" 1
258 1 9 DT H3' 1 9 DT H4' 2.700 . 3.500 2.823 2.715 2.876 . 0 0 "[ . 1]" 1
259 1 9 DT H4' 1 9 DT H6 4.600 3.400 5.800 4.674 4.525 5.509 . 0 0 "[ . 1]" 1
260 1 8 DG H1' 1 9 DT H5' 4.600 3.400 5.800 4.789 4.284 5.361 . 0 0 "[ . 1]" 1
261 1 9 DT H3' 1 9 DT H5' 3.800 2.900 4.700 3.565 2.863 3.651 0.037 6 0 "[ . 1]" 1
262 1 9 DT H4' 1 9 DT H5' 2.700 . 3.500 2.494 2.412 3.039 . 0 0 "[ . 1]" 1
263 1 9 DT H5' 1 9 DT H6 4.600 3.400 5.800 4.139 4.039 4.240 . 0 0 "[ . 1]" 1
264 1 8 DG H1' 1 9 DT H5'' 4.600 3.400 5.800 3.764 3.361 5.314 0.039 7 0 "[ . 1]" 1
265 1 9 DT H3' 1 9 DT H5'' 2.700 . 3.500 2.602 2.436 3.650 0.150 6 0 "[ . 1]" 1
266 1 9 DT H4' 1 9 DT H5'' 2.700 . 3.500 2.475 2.414 2.510 . 0 0 "[ . 1]" 1
267 1 9 DT H5' 1 9 DT H5'' 2.700 . 3.500 1.782 1.779 1.784 0.121 6 0 "[ . 1]" 1
268 1 9 DT H5'' 1 9 DT H6 4.600 3.400 5.800 4.735 4.492 5.669 . 0 0 "[ . 1]" 1
269 1 10 DG H1' 1 10 DG H8 3.800 2.900 4.700 3.906 3.882 3.919 . 0 0 "[ . 1]" 1
270 1 10 DG H1' 1 11 DG H8 3.800 2.900 4.700 3.580 3.303 3.812 . 0 0 "[ . 1]" 1
271 1 10 DG H1' 1 10 DG H2' 2.700 . 3.500 3.024 3.023 3.027 . 0 0 "[ . 1]" 1
272 1 10 DG H2' 1 10 DG H2'' 2.700 . 3.500 1.797 1.796 1.798 0.104 1 0 "[ . 1]" 1
273 1 10 DG H2' 1 10 DG H3' 2.700 . 3.500 2.315 2.308 2.325 . 0 0 "[ . 1]" 1
274 1 10 DG H2' 1 10 DG H4' 5.500 3.800 7.200 3.884 3.876 3.889 . 0 0 "[ . 1]" 1
275 1 10 DG H2' 1 10 DG H8 2.700 . 3.500 2.696 2.469 2.936 . 0 0 "[ . 1]" 1
276 1 10 DG H2' 1 11 DG H8 3.800 2.900 4.700 3.327 3.054 3.723 . 0 0 "[ . 1]" 1
277 1 10 DG H1' 1 10 DG H2'' 2.700 . 3.500 2.422 2.344 2.508 . 0 0 "[ . 1]" 1
278 1 10 DG H2'' 1 10 DG H3' 2.700 . 3.500 2.755 2.633 2.856 . 0 0 "[ . 1]" 1
279 1 10 DG H2'' 1 10 DG H4' 5.500 3.800 7.200 3.821 3.783 3.892 0.017 6 0 "[ . 1]" 1
280 1 10 DG H2'' 1 10 DG H8 3.800 2.900 4.700 4.150 3.902 4.408 . 0 0 "[ . 1]" 1
281 1 10 DG H2'' 1 11 DG H8 2.700 . 3.500 2.228 2.197 2.375 . 0 0 "[ . 1]" 1
282 1 10 DG H1' 1 10 DG H3' 4.600 3.400 5.800 3.839 3.828 3.847 . 0 0 "[ . 1]" 1
283 1 10 DG H3' 1 10 DG H8 3.800 2.900 4.700 4.369 4.267 4.467 . 0 0 "[ . 1]" 1
284 1 10 DG H3' 1 11 DG H8 4.600 3.400 5.800 4.889 4.630 5.217 . 0 0 "[ . 1]" 1
285 1 10 DG H1' 1 10 DG H4' 3.800 2.900 4.700 2.904 2.879 2.949 0.021 10 0 "[ . 1]" 1
286 1 10 DG H3' 1 10 DG H4' 2.700 . 3.500 2.893 2.875 2.901 . 0 0 "[ . 1]" 1
287 1 10 DG H4' 1 10 DG H8 4.600 3.400 5.800 4.862 4.748 4.971 . 0 0 "[ . 1]" 1
288 1 9 DT H1' 1 10 DG H5' 5.500 3.800 7.200 6.106 5.698 6.594 . 0 0 "[ . 1]" 1
289 1 10 DG H3' 1 10 DG H5' 3.800 2.900 4.700 3.636 3.631 3.644 . 0 0 "[ . 1]" 1
290 1 10 DG H4' 1 10 DG H5' 2.700 . 3.500 2.437 2.421 2.456 . 0 0 "[ . 1]" 1
291 1 10 DG H5' 1 10 DG H8 4.600 3.400 5.800 4.510 4.268 4.733 . 0 0 "[ . 1]" 1
292 1 10 DG H3' 1 10 DG H5'' 2.700 . 3.500 2.534 2.496 2.589 . 0 0 "[ . 1]" 1
293 1 10 DG H4' 1 10 DG H5'' 2.700 . 3.500 2.480 2.456 2.499 . 0 0 "[ . 1]" 1
294 1 10 DG H5' 1 10 DG H5'' 2.700 . 3.500 1.782 1.780 1.784 0.120 3 0 "[ . 1]" 1
295 1 10 DG H5'' 1 10 DG H8 4.600 3.400 5.800 5.127 5.023 5.275 . 0 0 "[ . 1]" 1
296 1 11 DG H1' 1 11 DG H8 3.800 2.900 4.700 3.910 3.904 3.919 . 0 0 "[ . 1]" 1
297 1 11 DG H1' 1 12 DG H8 3.800 2.900 4.700 3.531 3.315 3.822 . 0 0 "[ . 1]" 1
298 1 11 DG H1' 1 11 DG H2' 2.700 . 3.500 3.026 3.023 3.034 . 0 0 "[ . 1]" 1
299 1 11 DG H2' 1 11 DG H2'' 2.700 . 3.500 1.797 1.796 1.798 0.104 8 0 "[ . 1]" 1
300 1 11 DG H2' 1 11 DG H3' 2.700 . 3.500 2.329 2.319 2.370 . 0 0 "[ . 1]" 1
301 1 11 DG H2' 1 11 DG H4' 5.500 3.800 7.200 3.870 3.805 3.883 . 0 0 "[ . 1]" 1
302 1 11 DG H2' 1 11 DG H8 2.700 . 3.500 2.671 2.465 2.743 . 0 0 "[ . 1]" 1
303 1 11 DG H2' 1 12 DG H8 3.800 2.900 4.700 3.407 3.218 3.780 . 0 0 "[ . 1]" 1
304 1 11 DG H1' 1 11 DG H2'' 2.700 . 3.500 2.449 2.360 2.590 . 0 0 "[ . 1]" 1
305 1 11 DG H2'' 1 11 DG H3' 2.700 . 3.500 2.694 2.433 2.813 . 0 0 "[ . 1]" 1
306 1 11 DG H2'' 1 11 DG H4' 5.500 3.800 7.200 3.880 3.829 3.934 . 0 0 "[ . 1]" 1
307 1 11 DG H2'' 1 11 DG H8 3.800 2.900 4.700 4.142 4.002 4.220 . 0 0 "[ . 1]" 1
308 1 11 DG H2'' 1 12 DG H8 2.700 . 3.500 2.275 2.185 2.655 . 0 0 "[ . 1]" 1
309 1 11 DG H1' 1 11 DG H3' 3.800 2.900 4.700 3.828 3.762 3.839 . 0 0 "[ . 1]" 1
310 1 11 DG H3' 1 11 DG H8 4.600 3.400 5.800 4.419 4.386 4.537 . 0 0 "[ . 1]" 1
311 1 11 DG H3' 1 12 DG H8 4.600 3.400 5.800 4.895 4.466 5.346 . 0 0 "[ . 1]" 1
312 1 11 DG H1' 1 11 DG H4' 3.800 2.900 4.700 3.000 2.939 3.115 . 0 0 "[ . 1]" 1
313 1 11 DG H3' 1 11 DG H4' 2.700 . 3.500 2.860 2.798 2.883 . 0 0 "[ . 1]" 1
314 1 11 DG H4' 1 11 DG H8 5.500 3.800 7.200 4.842 4.817 4.941 . 0 0 "[ . 1]" 1
315 1 10 DG H1' 1 11 DG H5' 4.600 3.400 5.800 3.375 3.363 3.386 0.037 7 0 "[ . 1]" 1
316 1 11 DG H3' 1 11 DG H5' 3.800 2.900 4.700 3.634 3.628 3.650 . 0 0 "[ . 1]" 1
317 1 11 DG H4' 1 11 DG H5' 2.700 . 3.500 2.433 2.413 2.448 . 0 0 "[ . 1]" 1
318 1 11 DG H5' 1 11 DG H8 5.500 3.800 7.200 4.383 4.319 4.434 . 0 0 "[ . 1]" 1
319 1 10 DG H1' 1 11 DG H5'' 5.500 3.800 7.200 4.960 4.895 5.012 . 0 0 "[ . 1]" 1
320 1 11 DG H3' 1 11 DG H5'' 2.700 . 3.500 2.491 2.461 2.524 . 0 0 "[ . 1]" 1
321 1 11 DG H4' 1 11 DG H5'' 2.700 . 3.500 2.486 2.470 2.508 . 0 0 "[ . 1]" 1
322 1 11 DG H5' 1 11 DG H5'' 2.700 . 3.500 1.782 1.781 1.783 0.119 7 0 "[ . 1]" 1
323 1 11 DG H5'' 1 11 DG H8 5.500 3.800 7.200 4.991 4.930 5.043 . 0 0 "[ . 1]" 1
324 1 12 DG H1' 1 12 DG H8 3.800 2.900 4.700 3.895 3.805 3.918 . 0 0 "[ . 1]" 1
325 1 12 DG H1' 1 12 DG H2' 2.700 . 3.500 3.021 3.009 3.029 . 0 0 "[ . 1]" 1
326 1 12 DG H2' 1 12 DG H3' 2.700 . 3.500 2.313 2.287 2.351 . 0 0 "[ . 1]" 1
327 1 12 DG H2' 1 12 DG H4' 5.500 3.800 7.200 3.883 3.844 3.910 . 0 0 "[ . 1]" 1
328 1 12 DG H2' 1 12 DG H8 2.700 . 3.500 2.804 2.555 3.330 . 0 0 "[ . 1]" 1
329 1 12 DG H1' 1 12 DG H2'' 2.700 . 3.500 2.404 2.362 2.445 . 0 0 "[ . 1]" 1
330 1 12 DG H2' 1 12 DG H2'' 2.700 . 3.500 1.796 1.794 1.798 0.106 4 0 "[ . 1]" 1
331 1 12 DG H2'' 1 12 DG H3' 2.700 . 3.500 2.778 2.690 2.860 . 0 0 "[ . 1]" 1
332 1 12 DG H2'' 1 12 DG H8 3.800 2.900 4.700 4.230 4.004 4.591 . 0 0 "[ . 1]" 1
333 1 12 DG H1' 1 12 DG H3' 3.800 2.900 4.700 3.845 3.807 3.883 . 0 0 "[ . 1]" 1
334 1 12 DG H3' 1 12 DG H8 4.600 3.400 5.800 4.384 4.214 4.764 . 0 0 "[ . 1]" 1
335 1 12 DG H1' 1 12 DG H4' 3.800 2.900 4.700 2.921 2.757 3.114 0.143 7 0 "[ . 1]" 1
336 1 12 DG H3' 1 12 DG H4' 2.700 . 3.500 2.893 2.817 2.939 . 0 0 "[ . 1]" 1
337 1 12 DG H4' 1 12 DG H8 5.500 3.800 7.200 4.811 4.634 4.947 . 0 0 "[ . 1]" 1
338 1 11 DG H1' 1 12 DG H5' 4.600 3.400 5.800 3.607 3.365 5.310 0.035 10 0 "[ . 1]" 1
339 1 12 DG H3' 1 12 DG H5' 3.800 2.900 4.700 3.543 2.776 3.641 0.124 5 0 "[ . 1]" 1
340 1 12 DG H4' 1 12 DG H5' 2.700 . 3.500 2.447 2.384 2.602 . 0 0 "[ . 1]" 1
341 1 12 DG H5' 1 12 DG H8 5.500 3.800 7.200 4.479 4.292 5.143 . 0 0 "[ . 1]" 1
342 1 11 DG H1' 1 12 DG H5'' 4.600 3.400 5.800 5.020 4.949 5.465 . 0 0 "[ . 1]" 1
343 1 12 DG H3' 1 12 DG H5'' 2.700 . 3.500 2.557 2.381 2.948 . 0 0 "[ . 1]" 1
344 1 12 DG H4' 1 12 DG H5'' 2.700 . 3.500 2.521 2.321 3.032 . 0 0 "[ . 1]" 1
345 1 12 DG H5' 1 12 DG H5'' 2.700 . 3.500 1.782 1.781 1.784 0.119 7 0 "[ . 1]" 1
346 1 12 DG H5'' 1 12 DG H8 5.500 3.800 7.200 4.956 3.788 5.521 0.012 5 0 "[ . 1]" 1
347 1 11 DG H8 1 12 DG H8 5.500 3.800 7.200 5.065 4.855 5.491 . 0 0 "[ . 1]" 1
348 1 13 DT C7 1 13 DT H1' 6.000 4.300 7.700 5.788 5.496 5.833 . 0 0 "[ . 1]" 1
349 1 13 DT C7 1 13 DT H6 2.700 . 3.500 2.659 2.656 2.660 . 0 0 "[ . 1]" 1
350 1 13 DT H1' 1 13 DT H6 3.800 2.900 4.700 3.674 3.276 3.733 . 0 0 "[ . 1]" 1
351 1 13 DT H1' 1 13 DT H2' 2.700 . 3.500 3.029 3.027 3.032 . 0 0 "[ . 1]" 1
352 1 13 DT H2' 1 13 DT H2'' 2.700 . 3.500 1.798 1.797 1.800 0.103 3 0 "[ . 1]" 1
353 1 13 DT H2' 1 13 DT H3' 2.700 . 3.500 2.350 2.319 2.372 . 0 0 "[ . 1]" 1
354 1 13 DT H2' 1 13 DT H4' 5.500 3.800 7.200 3.844 3.806 3.874 . 0 0 "[ . 1]" 1
355 1 13 DT H2' 1 13 DT H6 2.700 . 3.500 2.354 2.185 2.926 . 0 0 "[ . 1]" 1
356 1 13 DT H1' 1 13 DT H2'' 2.700 . 3.500 2.415 2.282 2.654 . 0 0 "[ . 1]" 1
357 1 13 DT H2'' 1 13 DT H3' 2.700 . 3.500 2.715 2.244 2.899 . 0 0 "[ . 1]" 1
358 1 13 DT H2'' 1 13 DT H4' 5.500 3.800 7.200 3.957 3.821 4.051 . 0 0 "[ . 1]" 1
359 1 13 DT H2'' 1 13 DT H6 3.800 2.900 4.700 3.718 2.850 4.230 0.050 8 0 "[ . 1]" 1
360 1 13 DT H1' 1 13 DT H3' 3.800 2.900 4.700 3.811 3.800 3.827 . 0 0 "[ . 1]" 1
361 1 13 DT H3' 1 13 DT H6 4.600 3.400 5.800 4.181 4.002 4.441 . 0 0 "[ . 1]" 1
362 1 13 DT H1' 1 13 DT H4' 3.800 2.900 4.700 3.088 2.869 3.276 0.031 10 0 "[ . 1]" 1
363 1 13 DT H3' 1 13 DT H4' 2.700 . 3.500 2.825 2.764 2.902 . 0 0 "[ . 1]" 1
364 1 13 DT H4' 1 13 DT H6 4.600 3.400 5.800 4.625 4.317 5.472 . 0 0 "[ . 1]" 1
365 1 13 DT H3' 1 13 DT H5' 3.800 2.900 4.700 3.556 2.720 3.660 0.180 10 0 "[ . 1]" 1
366 1 13 DT H4' 1 13 DT H5' 2.700 . 3.500 2.436 2.416 2.458 . 0 0 "[ . 1]" 1
367 1 13 DT H5' 1 13 DT H6 4.600 3.400 5.800 4.289 3.624 5.793 . 0 0 "[ . 1]" 1
368 1 12 DG H1' 1 13 DT H5' 4.600 3.400 5.800 4.794 4.211 5.611 . 0 0 "[ . 1]" 1
369 1 13 DT H3' 1 13 DT H5'' 2.700 . 3.500 2.484 2.440 2.566 . 0 0 "[ . 1]" 1
370 1 13 DT H4' 1 13 DT H5'' 2.700 . 3.500 2.535 2.457 3.040 . 0 0 "[ . 1]" 1
371 1 13 DT H5' 1 13 DT H5'' 2.700 . 3.500 1.782 1.781 1.783 0.119 2 0 "[ . 1]" 1
372 1 13 DT H5'' 1 13 DT H6 4.600 3.400 5.800 4.584 3.369 5.807 0.031 10 0 "[ . 1]" 1
373 1 12 DG H1' 1 13 DT H5'' 4.600 3.400 5.800 4.083 3.380 5.623 0.020 3 0 "[ . 1]" 1
374 1 14 DG H1' 1 14 DG H8 3.800 2.900 4.700 3.905 3.887 3.921 . 0 0 "[ . 1]" 1
375 1 14 DG H1' 1 15 DG H8 3.800 2.900 4.700 3.721 3.456 3.940 . 0 0 "[ . 1]" 1
376 1 14 DG H1' 1 14 DG H2' 2.700 . 3.500 3.024 3.018 3.033 . 0 0 "[ . 1]" 1
377 1 14 DG H2' 1 14 DG H2'' 2.700 . 3.500 1.796 1.795 1.798 0.105 2 0 "[ . 1]" 1
378 1 14 DG H2' 1 14 DG H3' 2.700 . 3.500 2.315 2.303 2.341 . 0 0 "[ . 1]" 1
379 1 14 DG H2' 1 14 DG H4' 5.500 3.800 7.200 3.882 3.846 3.896 . 0 0 "[ . 1]" 1
380 1 14 DG H2' 1 14 DG H8 2.700 . 3.500 2.702 2.394 2.932 . 0 0 "[ . 1]" 1
381 1 14 DG H2' 1 15 DG H8 3.800 2.900 4.700 3.460 3.154 3.849 . 0 0 "[ . 1]" 1
382 1 14 DG H1' 1 14 DG H2'' 2.700 . 3.500 2.344 2.181 2.461 . 0 0 "[ . 1]" 1
383 1 14 DG H2'' 1 14 DG H3' 2.700 . 3.500 2.850 2.708 3.011 . 0 0 "[ . 1]" 1
384 1 14 DG H2'' 1 14 DG H4' 5.500 3.800 7.200 3.827 3.779 3.952 0.021 7 0 "[ . 1]" 1
385 1 14 DG H2'' 1 14 DG H8 3.800 2.900 4.700 4.082 3.616 4.362 . 0 0 "[ . 1]" 1
386 1 14 DG H2'' 1 15 DG H8 2.700 . 3.500 2.217 2.183 2.303 . 0 0 "[ . 1]" 1
387 1 14 DG H1' 1 14 DG H3' 4.600 3.400 5.800 3.837 3.778 3.862 . 0 0 "[ . 1]" 1
388 1 14 DG H3' 1 14 DG H8 3.800 2.900 4.700 4.369 4.272 4.477 . 0 0 "[ . 1]" 1
389 1 14 DG H3' 1 15 DG H8 4.600 3.400 5.800 4.852 4.699 5.002 . 0 0 "[ . 1]" 1
390 1 14 DG H1' 1 14 DG H4' 3.800 2.900 4.700 2.881 2.863 2.899 0.037 7 0 "[ . 1]" 1
391 1 14 DG H3' 1 14 DG H4' 2.700 . 3.500 2.899 2.866 2.917 . 0 0 "[ . 1]" 1
392 1 14 DG H4' 1 14 DG H8 4.600 3.400 5.800 4.874 4.779 5.024 . 0 0 "[ . 1]" 1
393 1 13 DT H1' 1 14 DG H5' 5.500 3.800 7.200 6.153 5.450 6.690 . 0 0 "[ . 1]" 1
394 1 14 DG H3' 1 14 DG H5' 3.800 2.900 4.700 3.464 2.765 3.652 0.135 4 0 "[ . 1]" 1
395 1 14 DG H4' 1 14 DG H5' 2.700 . 3.500 2.560 2.426 3.028 . 0 0 "[ . 1]" 1
396 1 14 DG H5' 1 14 DG H8 4.600 3.400 5.800 4.340 3.376 4.781 0.024 4 0 "[ . 1]" 1
397 1 14 DG H3' 1 14 DG H5'' 2.700 . 3.500 2.769 2.521 3.614 0.114 2 0 "[ . 1]" 1
398 1 14 DG H4' 1 14 DG H5'' 2.700 . 3.500 2.450 2.357 2.492 . 0 0 "[ . 1]" 1
399 1 14 DG H5' 1 14 DG H5'' 2.700 . 3.500 1.782 1.779 1.783 0.121 2 0 "[ . 1]" 1
400 1 14 DG H5'' 1 14 DG H8 4.600 3.400 5.800 5.067 4.567 5.319 . 0 0 "[ . 1]" 1
401 1 15 DG H1' 1 15 DG H8 3.800 2.900 4.700 3.913 3.907 3.920 . 0 0 "[ . 1]" 1
402 1 15 DG H1' 1 16 DG H8 3.800 2.900 4.700 3.674 3.469 3.891 . 0 0 "[ . 1]" 1
403 1 15 DG H1' 1 15 DG H2' 2.700 . 3.500 3.024 3.021 3.027 . 0 0 "[ . 1]" 1
404 1 15 DG H2' 1 15 DG H2'' 2.700 . 3.500 1.797 1.796 1.798 0.104 8 0 "[ . 1]" 1
405 1 15 DG H2' 1 15 DG H3' 2.700 . 3.500 2.317 2.308 2.334 . 0 0 "[ . 1]" 1
406 1 15 DG H2' 1 15 DG H4' 5.500 3.800 7.200 3.882 3.867 3.892 . 0 0 "[ . 1]" 1
407 1 15 DG H2' 1 15 DG H8 2.700 . 3.500 2.624 2.503 2.719 . 0 0 "[ . 1]" 1
408 1 15 DG H2' 1 16 DG H8 3.800 2.900 4.700 3.512 3.034 3.802 . 0 0 "[ . 1]" 1
409 1 15 DG H1' 1 15 DG H2'' 2.700 . 3.500 2.387 2.288 2.433 . 0 0 "[ . 1]" 1
410 1 15 DG H2'' 1 15 DG H3' 2.700 . 3.500 2.795 2.740 2.935 . 0 0 "[ . 1]" 1
411 1 15 DG H2'' 1 15 DG H4' 5.500 3.800 7.200 3.845 3.777 3.952 0.023 10 0 "[ . 1]" 1
412 1 15 DG H2'' 1 15 DG H8 3.800 2.900 4.700 4.070 3.890 4.197 . 0 0 "[ . 1]" 1
413 1 15 DG H2'' 1 16 DG H8 2.700 . 3.500 2.290 2.202 2.439 . 0 0 "[ . 1]" 1
414 1 15 DG H1' 1 15 DG H3' 3.800 2.900 4.700 3.840 3.832 3.851 . 0 0 "[ . 1]" 1
415 1 15 DG H3' 1 15 DG H8 4.600 3.400 5.800 4.338 4.274 4.395 . 0 0 "[ . 1]" 1
416 1 15 DG H3' 1 16 DG H8 4.600 3.400 5.800 4.991 4.678 5.218 . 0 0 "[ . 1]" 1
417 1 15 DG H1' 1 15 DG H4' 3.800 2.900 4.700 2.926 2.770 3.079 0.130 10 0 "[ . 1]" 1
418 1 15 DG H3' 1 15 DG H4' 2.700 . 3.500 2.886 2.838 2.927 . 0 0 "[ . 1]" 1
419 1 15 DG H4' 1 15 DG H8 5.500 3.800 7.200 4.882 4.846 4.999 . 0 0 "[ . 1]" 1
420 1 14 DG H1' 1 15 DG H5' 5.500 3.800 7.200 3.775 3.755 3.802 0.045 5 0 "[ . 1]" 1
421 1 15 DG H3' 1 15 DG H5' 3.800 2.900 4.700 3.625 3.595 3.633 . 0 0 "[ . 1]" 1
422 1 15 DG H4' 1 15 DG H5' 2.700 . 3.500 2.461 2.413 2.591 . 0 0 "[ . 1]" 1
423 1 15 DG H5' 1 15 DG H8 5.500 3.800 7.200 4.480 4.371 4.573 . 0 0 "[ . 1]" 1
424 1 14 DG H1' 1 15 DG H5'' 5.500 3.800 7.200 5.365 5.243 5.540 . 0 0 "[ . 1]" 1
425 1 15 DG H3' 1 15 DG H5'' 2.700 . 3.500 2.577 2.428 2.902 . 0 0 "[ . 1]" 1
426 1 15 DG H4' 1 15 DG H5'' 2.700 . 3.500 2.458 2.331 2.509 . 0 0 "[ . 1]" 1
427 1 15 DG H5' 1 15 DG H5'' 2.700 . 3.500 1.782 1.781 1.783 0.119 9 0 "[ . 1]" 1
428 1 15 DG H5'' 1 15 DG H8 5.500 3.800 7.200 5.133 4.867 5.563 . 0 0 "[ . 1]" 1
429 1 16 DG H1' 1 16 DG H8 3.800 2.900 4.700 3.912 3.906 3.917 . 0 0 "[ . 1]" 1
430 1 16 DG H1' 1 16 DG H2' 2.700 . 3.500 3.025 3.022 3.028 . 0 0 "[ . 1]" 1
431 1 16 DG H2' 1 16 DG H3' 2.700 . 3.500 2.333 2.311 2.358 . 0 0 "[ . 1]" 1
432 1 16 DG H2' 1 16 DG H4' 5.500 3.800 7.200 3.864 3.833 3.885 . 0 0 "[ . 1]" 1
433 1 16 DG H2' 1 16 DG H8 2.700 . 3.500 2.639 2.481 2.741 . 0 0 "[ . 1]" 1
434 1 16 DG H1' 1 16 DG H2'' 2.700 . 3.500 2.358 2.192 2.514 . 0 0 "[ . 1]" 1
435 1 16 DG H2'' 1 16 DG H3' 2.700 . 3.500 2.806 2.610 2.992 . 0 0 "[ . 1]" 1
436 1 16 DG H2'' 1 16 DG H4' 5.500 3.800 7.200 3.927 3.826 4.064 . 0 0 "[ . 1]" 1
437 1 16 DG H2'' 1 16 DG H8 3.800 2.900 4.700 4.035 3.838 4.189 . 0 0 "[ . 1]" 1
438 1 16 DG H2'' 1 17 DT H6 5.500 3.800 7.200 4.880 3.804 6.467 . 0 0 "[ . 1]" 1
439 1 16 DG H1' 1 16 DG H3' 3.800 2.900 4.700 3.826 3.806 3.841 . 0 0 "[ . 1]" 1
440 1 16 DG H3' 1 16 DG H8 3.800 2.900 4.700 4.418 4.368 4.472 . 0 0 "[ . 1]" 1
441 1 16 DG H1' 1 16 DG H4' 3.800 2.900 4.700 3.020 2.898 3.188 0.002 9 0 "[ . 1]" 1
442 1 16 DG H3' 1 16 DG H4' 2.700 . 3.500 2.852 2.798 2.896 . 0 0 "[ . 1]" 1
443 1 16 DG H4' 1 16 DG H8 5.500 3.800 7.200 4.845 4.812 4.878 . 0 0 "[ . 1]" 1
444 1 15 DG H1' 1 16 DG H5' 4.600 3.400 5.800 3.390 3.370 3.467 0.030 7 0 "[ . 1]" 1
445 1 16 DG H3' 1 16 DG H5' 3.800 2.900 4.700 3.638 3.632 3.649 . 0 0 "[ . 1]" 1
446 1 16 DG H4' 1 16 DG H5' 2.700 . 3.500 2.434 2.424 2.447 . 0 0 "[ . 1]" 1
447 1 16 DG H5' 1 16 DG H8 5.500 3.800 7.200 4.367 4.149 4.491 . 0 0 "[ . 1]" 1
448 1 15 DG H1' 1 16 DG H5'' 4.600 3.400 5.800 4.976 4.948 5.011 . 0 0 "[ . 1]" 1
449 1 16 DG H3' 1 16 DG H5'' 2.700 . 3.500 2.492 2.462 2.517 . 0 0 "[ . 1]" 1
450 1 16 DG H4' 1 16 DG H5'' 2.700 . 3.500 2.483 2.470 2.496 . 0 0 "[ . 1]" 1
451 1 16 DG H5' 1 16 DG H5'' 2.700 . 3.500 1.782 1.781 1.783 0.119 10 0 "[ . 1]" 1
452 1 16 DG H5'' 1 16 DG H8 5.500 3.800 7.200 4.969 4.740 5.093 . 0 0 "[ . 1]" 1
453 1 15 DG H8 1 16 DG H8 4.600 3.400 5.800 5.207 4.814 5.560 . 0 0 "[ . 1]" 1
454 1 16 DG H1' 1 17 DT C7 6.000 4.300 7.700 6.538 5.421 7.711 0.011 6 0 "[ . 1]" 1
455 1 16 DG H3' 1 17 DT C7 6.000 4.300 7.700 5.611 4.288 7.723 0.023 1 0 "[ . 1]" 1
456 1 16 DG H8 1 17 DT C7 6.000 4.300 7.700 6.665 5.250 7.709 0.009 9 0 "[ . 1]" 1
457 1 17 DT C7 1 17 DT H6 2.700 . 3.500 2.659 2.657 2.660 . 0 0 "[ . 1]" 1
458 1 17 DT H1' 1 17 DT H6 3.800 2.900 4.700 3.730 3.721 3.738 . 0 0 "[ . 1]" 1
459 1 17 DT H1' 1 17 DT H2' 2.700 . 3.500 3.027 3.025 3.034 . 0 0 "[ . 1]" 1
460 1 17 DT H2' 1 17 DT H3' 2.700 . 3.500 2.361 2.348 2.364 . 0 0 "[ . 1]" 1
461 1 17 DT H2' 1 17 DT H4' 5.500 3.800 7.200 3.784 3.778 3.809 0.022 1 0 "[ . 1]" 1
462 1 17 DT H2' 1 17 DT H6 2.700 . 3.500 2.282 2.191 2.500 . 0 0 "[ . 1]" 1
463 1 17 DT H1' 1 17 DT H2'' 2.700 . 3.500 2.415 2.392 2.445 . 0 0 "[ . 1]" 1
464 1 17 DT H2' 1 17 DT H2'' 2.700 . 3.500 1.799 1.797 1.800 0.103 6 0 "[ . 1]" 1
465 1 17 DT H2'' 1 17 DT H3' 2.700 . 3.500 2.677 2.628 2.725 . 0 0 "[ . 1]" 1
466 1 17 DT H2'' 1 17 DT H6 3.800 2.900 4.700 3.784 3.652 3.980 . 0 0 "[ . 1]" 1
467 1 17 DT H1' 1 17 DT H3' 5.500 3.800 7.200 3.818 3.779 3.835 0.021 10 0 "[ . 1]" 1
468 1 17 DT H3' 1 17 DT H6 3.800 2.900 4.700 4.129 4.073 4.221 . 0 0 "[ . 1]" 1
469 1 17 DT H1' 1 17 DT H4' 3.800 2.900 4.700 3.391 3.156 3.461 . 0 0 "[ . 1]" 1
470 1 17 DT H3' 1 17 DT H4' 2.700 . 3.500 2.732 2.715 2.792 . 0 0 "[ . 1]" 1
471 1 17 DT H4' 1 17 DT H6 4.600 3.400 5.800 4.375 4.227 4.603 . 0 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 40
_Distance_constraint_stats_list.Viol_count 44
_Distance_constraint_stats_list.Viol_total 5.532
_Distance_constraint_stats_list.Viol_max 0.032
_Distance_constraint_stats_list.Viol_rms 0.0046
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0014
_Distance_constraint_stats_list.Viol_average_violations_only 0.0126
_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 3 DG 0.153 0.023 3 0 "[ . 1]"
1 4 DG 0.137 0.032 8 0 "[ . 1]"
1 6 DG 0.047 0.022 3 0 "[ . 1]"
1 7 DG 0.200 0.032 8 0 "[ . 1]"
1 8 DG 0.034 0.013 7 0 "[ . 1]"
1 10 DG 0.051 0.021 10 0 "[ . 1]"
1 11 DG 0.101 0.024 7 0 "[ . 1]"
1 12 DG 0.111 0.019 5 0 "[ . 1]"
1 14 DG 0.157 0.023 3 0 "[ . 1]"
1 15 DG 0.039 0.013 10 0 "[ . 1]"
1 16 DG 0.076 0.019 5 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 3 DG H21 1 6 DG N7 2.000 . 2.200 1.880 1.778 2.053 0.022 3 0 "[ . 1]" 2
2 1 3 DG N2 1 6 DG N7 2.900 2.600 3.200 2.863 2.764 2.997 . 0 0 "[ . 1]" 2
3 1 3 DG H1 1 6 DG O6 2.000 . 2.200 2.007 1.790 2.176 0.010 10 0 "[ . 1]" 2
4 1 3 DG N1 1 6 DG O6 2.900 2.600 3.200 2.969 2.755 3.107 . 0 0 "[ . 1]" 2
5 1 6 DG H21 1 10 DG N7 2.000 . 2.200 1.991 1.851 2.081 . 0 0 "[ . 1]" 2
6 1 6 DG N2 1 10 DG N7 2.900 2.600 3.200 2.993 2.856 3.091 . 0 0 "[ . 1]" 2
7 1 6 DG H1 1 10 DG O6 2.000 . 2.200 2.006 1.893 2.213 0.013 6 0 "[ . 1]" 2
8 1 6 DG N1 1 10 DG O6 2.900 2.600 3.200 2.951 2.824 3.097 . 0 0 "[ . 1]" 2
9 1 10 DG H21 1 14 DG N7 2.000 . 2.200 2.081 1.788 2.206 0.012 9 0 "[ . 1]" 2
10 1 10 DG N2 1 14 DG N7 2.900 2.600 3.200 3.048 2.798 3.189 . 0 0 "[ . 1]" 2
11 1 10 DG H1 1 14 DG O6 2.000 . 2.200 1.952 1.779 2.016 0.021 10 0 "[ . 1]" 2
12 1 10 DG N1 1 14 DG O6 2.900 2.600 3.200 2.942 2.724 3.015 . 0 0 "[ . 1]" 2
13 1 3 DG N7 1 14 DG H21 2.000 . 2.200 2.012 1.874 2.136 . 0 0 "[ . 1]" 2
14 1 3 DG N7 1 14 DG N2 2.900 2.600 3.200 3.001 2.858 3.137 . 0 0 "[ . 1]" 2
15 1 3 DG O6 1 14 DG H1 2.000 . 2.200 2.154 1.814 2.223 0.023 3 0 "[ . 1]" 2
16 1 3 DG O6 1 14 DG N1 2.900 2.600 3.200 3.120 2.822 3.209 0.009 10 0 "[ . 1]" 2
17 1 4 DG H21 1 7 DG N7 2.000 . 2.200 1.846 1.768 2.040 0.032 8 0 "[ . 1]" 2
18 1 4 DG N2 1 7 DG N7 2.900 2.600 3.200 2.699 2.649 2.784 . 0 0 "[ . 1]" 2
19 1 4 DG H1 1 7 DG O6 2.000 . 2.200 1.878 1.784 1.968 0.016 10 0 "[ . 1]" 2
20 1 4 DG N1 1 7 DG O6 2.900 2.600 3.200 2.871 2.700 2.977 . 0 0 "[ . 1]" 2
21 1 7 DG H21 1 11 DG N7 2.000 . 2.200 1.981 1.776 2.066 0.024 7 0 "[ . 1]" 2
22 1 7 DG N2 1 11 DG N7 2.900 2.600 3.200 2.970 2.762 3.062 . 0 0 "[ . 1]" 2
23 1 7 DG H1 1 11 DG O6 2.000 . 2.200 2.179 2.030 2.215 0.015 6 0 "[ . 1]" 2
24 1 7 DG N1 1 11 DG O6 2.900 2.600 3.200 3.006 2.831 3.099 . 0 0 "[ . 1]" 2
25 1 11 DG H21 1 15 DG N7 2.000 . 2.200 2.004 1.888 2.213 0.013 10 0 "[ . 1]" 2
26 1 11 DG N2 1 15 DG N7 2.900 2.600 3.200 2.966 2.827 3.164 . 0 0 "[ . 1]" 2
27 1 11 DG H1 1 15 DG O6 2.000 . 2.200 2.111 1.984 2.208 0.008 9 0 "[ . 1]" 2
28 1 11 DG N1 1 15 DG O6 2.900 2.600 3.200 3.112 2.991 3.202 0.002 9 0 "[ . 1]" 2
29 1 4 DG N7 1 15 DG H21 2.000 . 2.200 1.908 1.796 2.155 0.004 1 0 "[ . 1]" 2
30 1 4 DG N7 1 15 DG N2 2.900 2.600 3.200 2.883 2.762 3.152 . 0 0 "[ . 1]" 2
31 1 4 DG O6 1 15 DG H1 2.000 . 2.200 2.034 1.867 2.211 0.011 6 0 "[ . 1]" 2
32 1 4 DG O6 1 15 DG N1 2.900 2.600 3.200 2.798 2.643 2.961 . 0 0 "[ . 1]" 2
33 1 8 DG H21 1 12 DG N7 2.000 . 2.200 1.962 1.841 2.165 . 0 0 "[ . 1]" 2
34 1 8 DG N2 1 12 DG N7 2.900 2.600 3.200 2.930 2.786 3.065 . 0 0 "[ . 1]" 2
35 1 8 DG H1 1 12 DG O6 2.000 . 2.200 2.150 1.945 2.213 0.013 7 0 "[ . 1]" 2
36 1 8 DG N1 1 12 DG O6 2.900 2.600 3.200 3.009 2.737 3.187 . 0 0 "[ . 1]" 2
37 1 12 DG H21 1 16 DG N7 2.000 . 2.200 1.839 1.784 2.124 0.016 6 0 "[ . 1]" 2
38 1 12 DG N2 1 16 DG N7 2.900 2.600 3.200 2.770 2.609 3.123 . 0 0 "[ . 1]" 2
39 1 12 DG H1 1 16 DG O6 2.000 . 2.200 2.026 1.781 2.210 0.019 5 0 "[ . 1]" 2
40 1 12 DG N1 1 16 DG O6 2.900 2.600 3.200 3.000 2.754 3.151 . 0 0 "[ . 1]" 2
stop_
save_
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