NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
635987 |
6j2w   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6j2w
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 358
_Distance_constraint_stats_list.Viol_count 237
_Distance_constraint_stats_list.Viol_total 194.652
_Distance_constraint_stats_list.Viol_max 0.189
_Distance_constraint_stats_list.Viol_rms 0.0234
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0054
_Distance_constraint_stats_list.Viol_average_violations_only 0.0821
_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 DC 0.734 0.070 7 0 "[ . 1]"
1 2 DG 0.533 0.070 7 0 "[ . 1]"
1 3 DG 1.511 0.101 9 0 "[ . 1]"
1 4 DG 1.765 0.136 4 0 "[ . 1]"
1 5 DG 1.852 0.136 4 0 "[ . 1]"
1 6 DC 0.584 0.065 8 0 "[ . 1]"
1 7 DG 1.220 0.128 1 0 "[ . 1]"
1 8 DA 1.220 0.128 1 0 "[ . 1]"
1 9 DA 0.000 0.000 . 0 "[ . 1]"
1 10 DG 0.000 0.000 . 0 "[ . 1]"
1 11 DC 2.373 0.178 2 0 "[ . 1]"
1 12 DG 3.587 0.178 2 0 "[ . 1]"
1 13 DG 2.585 0.175 8 0 "[ . 1]"
1 14 DG 1.672 0.175 8 0 "[ . 1]"
1 15 DT 0.129 0.098 3 0 "[ . 1]"
1 16 DC 1.749 0.143 9 0 "[ . 1]"
1 17 DC 4.259 0.189 5 0 "[ . 1]"
1 18 DC 1.927 0.121 3 0 "[ . 1]"
1 19 DG 1.977 0.121 9 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 4 DG H1' 1 4 DG H8 4.000 . 5.000 3.860 3.852 3.866 . 0 0 "[ . 1]" 1
2 1 4 DG H1' 1 4 DG H2' 4.000 . 5.000 3.083 3.080 3.085 . 0 0 "[ . 1]" 1
3 1 4 DG H2' 1 4 DG H8 2.500 . 3.000 2.183 2.148 2.218 . 0 0 "[ . 1]" 1
4 1 4 DG H1' 1 4 DG H3' 4.000 . 5.000 3.772 3.751 3.782 . 0 0 "[ . 1]" 1
5 1 4 DG H3' 1 4 DG H4' 4.000 . 5.000 2.750 2.744 2.754 . 0 0 "[ . 1]" 1
6 1 4 DG H3' 1 4 DG H8 4.000 . 5.000 4.472 4.446 4.506 . 0 0 "[ . 1]" 1
7 1 4 DG H1' 1 4 DG H4' 4.000 . 5.000 3.090 3.065 3.125 . 0 0 "[ . 1]" 1
8 1 4 DG H2' 1 4 DG H4' 4.000 . 5.000 3.844 3.837 3.848 . 0 0 "[ . 1]" 1
9 1 4 DG H2'' 1 4 DG H4' 4.000 . 5.000 4.012 4.008 4.016 . 0 0 "[ . 1]" 1
10 1 4 DG H4' 1 4 DG H8 4.000 . 5.500 5.151 5.135 5.180 . 0 0 "[ . 1]" 1
11 1 4 DG H4' 1 4 DG H5' 4.000 . 5.000 2.546 2.511 2.564 . 0 0 "[ . 1]" 1
12 1 4 DG H5' 1 4 DG H8 4.000 3.500 5.000 4.575 4.513 4.709 . 0 0 "[ . 1]" 1
13 1 4 DG H4' 1 4 DG H5'' 4.000 . 5.000 2.322 2.308 2.349 . 0 0 "[ . 1]" 1
14 1 4 DG H5'' 1 4 DG H8 4.000 3.500 5.500 5.363 5.315 5.391 . 0 0 "[ . 1]" 1
15 1 5 DG H1' 1 5 DG H8 4.000 . 5.000 3.776 3.774 3.780 . 0 0 "[ . 1]" 1
16 1 5 DG H2' 1 5 DG H4' 3.000 . 4.000 3.741 3.737 3.747 . 0 0 "[ . 1]" 1
17 1 5 DG H2'' 1 5 DG H4' 3.000 2.500 3.700 2.617 2.610 2.626 . 0 0 "[ . 1]" 1
18 1 5 DG H2' 1 5 DG H8 3.500 2.800 4.000 3.957 3.940 3.971 . 0 0 "[ . 1]" 1
19 1 5 DG H2'' 1 5 DG H8 4.000 2.800 4.700 4.588 4.582 4.592 . 0 0 "[ . 1]" 1
20 1 5 DG H3' 1 5 DG H8 3.000 2.500 3.500 2.468 2.453 2.479 0.047 4 0 "[ . 1]" 1
21 1 5 DG H1' 1 5 DG H3' 4.000 . 5.000 3.740 3.738 3.743 . 0 0 "[ . 1]" 1
22 1 5 DG H4' 1 5 DG H8 4.000 3.500 5.000 4.144 4.139 4.150 . 0 0 "[ . 1]" 1
23 1 5 DG H5'' 1 5 DG H8 4.000 3.500 5.300 3.864 3.859 3.869 . 0 0 "[ . 1]" 1
24 1 6 DC H1' 1 6 DC H6 4.000 . 5.000 3.713 3.712 3.716 . 0 0 "[ . 1]" 1
25 1 6 DC H2' 1 6 DC H6 2.500 . 3.000 1.966 1.961 1.971 . 0 0 "[ . 1]" 1
26 1 6 DC H1' 1 6 DC H2'' 4.000 . 5.000 2.440 2.434 2.448 . 0 0 "[ . 1]" 1
27 1 6 DC H2'' 1 6 DC H6 3.500 2.300 4.200 3.387 3.378 3.394 . 0 0 "[ . 1]" 1
28 1 6 DC H1' 1 6 DC H3' 4.000 . 5.000 3.824 3.817 3.830 . 0 0 "[ . 1]" 1
29 1 6 DC H2'' 1 6 DC H3' 4.000 . 5.000 2.712 2.709 2.716 . 0 0 "[ . 1]" 1
30 1 6 DC H3' 1 6 DC H6 4.000 . 5.000 4.089 4.083 4.093 . 0 0 "[ . 1]" 1
31 1 6 DC H1' 1 6 DC H4' 4.000 . 5.000 3.204 3.197 3.210 . 0 0 "[ . 1]" 1
32 1 6 DC H2'' 1 6 DC H4' 4.000 . 5.000 4.008 4.006 4.011 . 0 0 "[ . 1]" 1
33 1 6 DC H1' 1 6 DC H5 5.000 2.800 6.000 5.419 5.417 5.421 . 0 0 "[ . 1]" 1
34 1 7 DG H1' 1 7 DG H8 4.000 . 5.000 3.853 3.850 3.856 . 0 0 "[ . 1]" 1
35 1 7 DG H3' 1 7 DG H8 4.000 . 5.000 4.402 4.399 4.412 . 0 0 "[ . 1]" 1
36 1 8 DA H1' 1 8 DA H8 4.000 . 5.000 3.891 3.889 3.892 . 0 0 "[ . 1]" 1
37 1 8 DA H1' 1 8 DA H2' 4.000 . 5.000 3.041 3.036 3.044 . 0 0 "[ . 1]" 1
38 1 8 DA H2' 1 8 DA H5'' 4.000 . 5.000 4.036 4.033 4.046 . 0 0 "[ . 1]" 1
39 1 8 DA H2'' 1 8 DA H5'' 4.000 . 5.000 4.903 4.900 4.909 . 0 0 "[ . 1]" 1
40 1 8 DA H1' 1 8 DA H3' 4.000 . 5.000 3.896 3.892 3.904 . 0 0 "[ . 1]" 1
41 1 8 DA H2' 1 8 DA H3' 4.000 . 5.000 2.378 2.375 2.384 . 0 0 "[ . 1]" 1
42 1 8 DA H2'' 1 8 DA H3' 4.000 . 5.000 2.733 2.730 2.737 . 0 0 "[ . 1]" 1
43 1 8 DA H3' 1 8 DA H4' 4.000 . 5.000 2.719 2.716 2.721 . 0 0 "[ . 1]" 1
44 1 8 DA H3' 1 8 DA H5' 4.000 . 5.000 3.660 3.658 3.664 . 0 0 "[ . 1]" 1
45 1 8 DA H3' 1 8 DA H5'' 4.000 . 5.000 2.582 2.579 2.585 . 0 0 "[ . 1]" 1
46 1 8 DA H3' 1 8 DA H8 4.000 . 5.300 4.241 4.238 4.246 . 0 0 "[ . 1]" 1
47 1 8 DA H4' 1 8 DA H5' 4.000 . 5.000 2.491 2.488 2.493 . 0 0 "[ . 1]" 1
48 1 8 DA H4' 1 8 DA H5'' 4.000 . 5.000 2.365 2.363 2.366 . 0 0 "[ . 1]" 1
49 1 8 DA H4' 1 8 DA H8 4.000 . 5.300 4.834 4.828 4.837 . 0 0 "[ . 1]" 1
50 1 8 DA H5' 1 8 DA H8 4.000 3.500 5.000 3.965 3.955 3.969 . 0 0 "[ . 1]" 1
51 1 8 DA H5'' 1 8 DA H8 4.000 3.500 5.500 4.622 4.611 4.628 . 0 0 "[ . 1]" 1
52 1 9 DA H1' 1 9 DA H8 4.000 . 5.000 3.863 3.861 3.866 . 0 0 "[ . 1]" 1
53 1 9 DA H1' 1 9 DA H2' 4.000 . 5.000 3.077 3.074 3.079 . 0 0 "[ . 1]" 1
54 1 9 DA H1' 1 9 DA H3' 4.000 . 5.000 3.790 3.778 3.801 . 0 0 "[ . 1]" 1
55 1 9 DA H3' 1 9 DA H8 4.000 . 5.000 4.445 4.433 4.456 . 0 0 "[ . 1]" 1
56 1 9 DA H1' 1 9 DA H4' 4.000 . 5.000 3.148 3.137 3.161 . 0 0 "[ . 1]" 1
57 1 9 DA H2' 1 9 DA H4' 4.000 . 5.000 3.863 3.860 3.867 . 0 0 "[ . 1]" 1
58 1 9 DA H4' 1 9 DA H8 4.500 2.300 5.500 5.174 5.161 5.182 . 0 0 "[ . 1]" 1
59 1 10 DG H1' 1 10 DG H8 4.000 . 5.000 3.834 3.831 3.838 . 0 0 "[ . 1]" 1
60 1 10 DG H1' 1 10 DG H2'' 4.000 . 5.000 2.416 2.412 2.421 . 0 0 "[ . 1]" 1
61 1 10 DG H2' 1 10 DG H8 3.000 . 3.700 2.051 2.046 2.058 . 0 0 "[ . 1]" 1
62 1 10 DG H1' 1 10 DG H3' 4.000 . 5.000 3.867 3.854 3.886 . 0 0 "[ . 1]" 1
63 1 10 DG H3' 1 10 DG H8 4.000 . 5.000 4.253 4.219 4.280 . 0 0 "[ . 1]" 1
64 1 10 DG H1' 1 10 DG H4' 4.000 . 5.000 3.266 3.242 3.290 . 0 0 "[ . 1]" 1
65 1 9 DA H2' 1 9 DA H5' 4.000 2.800 4.500 4.174 4.168 4.181 . 0 0 "[ . 1]" 1
66 1 9 DA H2' 1 9 DA H5'' 3.000 . 3.500 2.828 2.819 2.840 . 0 0 "[ . 1]" 1
67 1 2 DG H5'' 1 2 DG H8 4.000 3.500 5.500 5.010 4.879 5.142 . 0 0 "[ . 1]" 1
68 1 2 DG H5' 1 2 DG H8 4.000 3.500 5.500 4.343 4.184 4.479 . 0 0 "[ . 1]" 1
69 1 6 DC H5'' 1 6 DC H6 4.000 3.500 6.000 4.745 4.727 4.758 . 0 0 "[ . 1]" 1
70 1 6 DC H5' 1 6 DC H6 4.000 3.500 6.000 4.307 4.296 4.323 . 0 0 "[ . 1]" 1
71 1 7 DG H5'' 1 7 DG H8 4.000 3.500 6.000 5.154 5.145 5.180 . 0 0 "[ . 1]" 1
72 1 7 DG H5' 1 7 DG H8 4.000 3.500 6.000 4.710 4.696 4.751 . 0 0 "[ . 1]" 1
73 1 9 DA H5'' 1 9 DA H8 4.000 3.500 6.000 3.797 3.765 3.813 . 0 0 "[ . 1]" 1
74 1 9 DA H5' 1 9 DA H8 4.000 3.500 6.000 5.384 5.357 5.399 . 0 0 "[ . 1]" 1
75 1 10 DG H5'' 1 10 DG H8 4.000 3.500 6.000 5.180 5.117 5.241 . 0 0 "[ . 1]" 1
76 1 10 DG H5' 1 10 DG H8 4.000 3.500 6.000 4.606 4.533 4.661 . 0 0 "[ . 1]" 1
77 1 15 DT H3' 1 15 DT H6 5.000 2.800 6.000 5.729 5.597 5.769 . 0 0 "[ . 1]" 1
78 1 1 DC H1' 1 1 DC H2' 3.000 . 3.700 3.035 3.017 3.059 . 0 0 "[ . 1]" 1
79 1 1 DC H2' 1 1 DC H6 3.000 . 3.700 2.122 2.049 2.209 . 0 0 "[ . 1]" 1
80 1 1 DC H1' 1 1 DC H2'' 3.000 . 3.700 2.378 2.359 2.417 . 0 0 "[ . 1]" 1
81 1 1 DC H2'' 1 1 DC H6 3.500 2.300 4.200 3.638 3.523 3.737 . 0 0 "[ . 1]" 1
82 1 1 DC H3' 1 1 DC H4' 3.000 . 3.700 2.736 2.726 2.751 . 0 0 "[ . 1]" 1
83 1 1 DC H3' 1 1 DC H5' 3.000 . 3.700 3.409 2.171 3.641 . 0 0 "[ . 1]" 1
84 1 1 DC H3' 1 1 DC H5'' 3.000 . 3.700 2.430 2.119 3.501 . 0 0 "[ . 1]" 1
85 1 1 DC H3' 1 1 DC H6 4.000 2.800 4.700 3.841 3.710 3.996 . 0 0 "[ . 1]" 1
86 1 1 DC H1' 1 1 DC H4' 3.000 . 3.700 3.381 3.225 3.476 . 0 0 "[ . 1]" 1
87 1 1 DC H4' 1 1 DC H5' 3.000 . 3.700 2.385 2.201 2.897 . 0 0 "[ . 1]" 1
88 1 1 DC H4' 1 1 DC H5'' 3.000 . 3.700 2.570 2.270 2.768 . 0 0 "[ . 1]" 1
89 1 2 DG H1' 1 2 DG H8 4.000 . 5.000 3.867 3.861 3.874 . 0 0 "[ . 1]" 1
90 1 2 DG H2' 1 2 DG H8 2.500 . 3.000 2.192 2.158 2.231 . 0 0 "[ . 1]" 1
91 1 2 DG H2'' 1 2 DG H8 3.500 2.300 4.200 3.620 3.566 3.688 . 0 0 "[ . 1]" 1
92 1 2 DG H3' 1 2 DG H8 4.000 . 5.000 4.246 4.186 4.307 . 0 0 "[ . 1]" 1
93 1 2 DG H1' 1 2 DG H4' 4.000 . 5.000 3.252 3.175 3.305 . 0 0 "[ . 1]" 1
94 1 2 DG H4' 1 2 DG H8 4.000 . 5.000 5.019 4.964 5.065 0.065 4 0 "[ . 1]" 1
95 1 2 DG H1' 1 2 DG H5' 4.000 . 5.000 4.566 4.549 4.585 . 0 0 "[ . 1]" 1
96 1 3 DG H2' 1 3 DG H8 2.500 . 3.000 2.152 2.111 2.205 . 0 0 "[ . 1]" 1
97 1 3 DG H2'' 1 3 DG H8 3.500 2.300 4.200 3.548 3.491 3.607 . 0 0 "[ . 1]" 1
98 1 3 DG H1' 1 3 DG H4' 4.000 . 5.000 3.245 3.230 3.263 . 0 0 "[ . 1]" 1
99 1 4 DG H1' 1 4 DG H2'' 2.500 . 3.000 2.473 2.464 2.483 . 0 0 "[ . 1]" 1
100 1 4 DG H2'' 1 4 DG H8 3.500 2.800 4.200 3.440 3.395 3.463 . 0 0 "[ . 1]" 1
101 1 5 DG H1' 1 5 DG H2' 3.000 . 3.700 2.719 2.716 2.722 . 0 0 "[ . 1]" 1
102 1 5 DG H1' 1 5 DG H2'' 3.000 . 3.700 2.394 2.391 2.397 . 0 0 "[ . 1]" 1
103 1 5 DG H3' 1 5 DG H4' 3.000 . 3.700 3.032 3.030 3.035 . 0 0 "[ . 1]" 1
104 1 7 DG H2'' 1 7 DG H8 3.000 . 3.700 3.434 3.425 3.438 . 0 0 "[ . 1]" 1
105 1 7 DG H2' 1 7 DG H8 2.500 . 3.000 2.136 2.127 2.148 . 0 0 "[ . 1]" 1
106 1 8 DA H2' 1 8 DA H8 2.500 . 3.000 2.399 2.389 2.407 . 0 0 "[ . 1]" 1
107 1 8 DA H2'' 1 8 DA H8 3.500 2.300 4.200 3.870 3.863 3.880 . 0 0 "[ . 1]" 1
108 1 9 DA H2' 1 9 DA H8 2.500 . 3.000 2.170 2.162 2.190 . 0 0 "[ . 1]" 1
109 1 9 DA H2' 1 9 DA H3' 3.000 . 3.700 2.414 2.407 2.417 . 0 0 "[ . 1]" 1
110 1 11 DC H2' 1 11 DC H6 3.000 . 3.700 2.192 2.187 2.202 . 0 0 "[ . 1]" 1
111 1 11 DC H2'' 1 11 DC H6 3.000 . 3.700 3.721 3.717 3.729 0.029 5 0 "[ . 1]" 1
112 1 11 DC H1' 1 11 DC H2' 3.000 . 3.700 3.023 3.021 3.027 . 0 0 "[ . 1]" 1
113 1 11 DC H1' 1 11 DC H4' 3.000 . 3.700 2.885 2.868 2.906 . 0 0 "[ . 1]" 1
114 1 12 DG H2' 1 12 DG H8 2.500 . 3.000 2.028 2.016 2.036 . 0 0 "[ . 1]" 1
115 1 12 DG H2'' 1 12 DG H8 3.500 2.300 4.200 3.335 3.278 3.366 . 0 0 "[ . 1]" 1
116 1 13 DG H2' 1 13 DG H8 2.500 . 3.000 2.186 2.119 2.215 . 0 0 "[ . 1]" 1
117 1 13 DG H2'' 1 13 DG H8 3.500 2.300 4.200 3.601 3.503 3.635 . 0 0 "[ . 1]" 1
118 1 13 DG H3' 1 13 DG H8 3.500 2.300 4.200 4.297 4.281 4.308 0.108 3 0 "[ . 1]" 1
119 1 14 DG H1' 1 14 DG H2'' 3.000 . 3.700 2.361 2.356 2.369 . 0 0 "[ . 1]" 1
120 1 14 DG H2' 1 14 DG H8 2.500 . 3.000 2.208 2.192 2.228 . 0 0 "[ . 1]" 1
121 1 14 DG H2'' 1 14 DG H8 3.500 2.300 4.200 3.740 3.721 3.760 . 0 0 "[ . 1]" 1
122 1 14 DG H3' 1 14 DG H8 4.000 . 5.000 4.000 3.960 4.049 . 0 0 "[ . 1]" 1
123 1 15 DT H2'' 1 15 DT H6 4.000 . 5.000 3.896 3.591 4.000 . 0 0 "[ . 1]" 1
124 1 15 DT H6 1 15 DT M7 3.000 . 4.700 2.318 2.253 2.400 . 0 0 "[ . 1]" 1
125 1 16 DC H1' 1 16 DC H6 4.000 . 5.000 3.576 3.571 3.580 . 0 0 "[ . 1]" 1
126 1 16 DC H1' 1 16 DC H2' 3.000 . 3.700 2.773 2.767 2.779 . 0 0 "[ . 1]" 1
127 1 16 DC H2' 1 16 DC H6 3.500 2.800 4.500 3.839 3.819 3.860 . 0 0 "[ . 1]" 1
128 1 16 DC H3' 1 16 DC H6 3.000 2.300 3.500 2.636 2.616 2.665 . 0 0 "[ . 1]" 1
129 1 16 DC H1' 1 16 DC H2'' 3.000 . 3.700 2.360 2.355 2.367 . 0 0 "[ . 1]" 1
130 1 17 DC H1' 1 17 DC H2' 3.000 . 3.700 3.055 3.049 3.060 . 0 0 "[ . 1]" 1
131 1 17 DC H2' 1 17 DC H6 2.500 . 3.000 1.934 1.916 1.945 . 0 0 "[ . 1]" 1
132 1 17 DC H1' 1 17 DC H2'' 3.000 . 3.700 2.415 2.408 2.433 . 0 0 "[ . 1]" 1
133 1 17 DC H2'' 1 17 DC H6 3.500 . 4.500 3.411 3.394 3.430 . 0 0 "[ . 1]" 1
134 1 17 DC H1' 1 17 DC H3' 3.000 . 3.700 3.872 3.861 3.889 0.189 5 0 "[ . 1]" 1
135 1 17 DC H3' 1 17 DC H6 4.000 . 5.000 3.962 3.936 3.997 . 0 0 "[ . 1]" 1
136 1 17 DC H1' 1 17 DC H4' 4.000 . 5.000 3.256 3.241 3.274 . 0 0 "[ . 1]" 1
137 1 18 DC H1' 1 18 DC H2' 3.000 . 3.700 3.073 3.069 3.077 . 0 0 "[ . 1]" 1
138 1 18 DC H2' 1 18 DC H6 2.500 . 3.000 1.969 1.952 1.986 . 0 0 "[ . 1]" 1
139 1 18 DC H1' 1 18 DC H2'' 3.000 . 3.700 2.448 2.438 2.458 . 0 0 "[ . 1]" 1
140 1 18 DC H2'' 1 18 DC H6 3.000 . 4.000 3.374 3.349 3.400 . 0 0 "[ . 1]" 1
141 1 18 DC H1' 1 18 DC H3' 3.000 . 3.700 3.811 3.804 3.821 0.121 3 0 "[ . 1]" 1
142 1 18 DC H3' 1 18 DC H6 4.000 . 5.000 4.106 4.096 4.118 . 0 0 "[ . 1]" 1
143 1 18 DC H1' 1 18 DC H5' 4.000 . 5.000 4.527 4.506 4.546 . 0 0 "[ . 1]" 1
144 1 19 DG H1' 1 19 DG H3' 3.000 . 3.700 3.812 3.803 3.821 0.121 9 0 "[ . 1]" 1
145 1 19 DG H1' 1 19 DG H8 4.000 . 5.000 3.865 3.858 3.869 . 0 0 "[ . 1]" 1
146 1 19 DG H1' 1 19 DG H2'' 3.000 . 3.700 2.444 2.433 2.449 . 0 0 "[ . 1]" 1
147 1 19 DG H2' 1 19 DG H8 2.500 . 3.000 2.186 2.153 2.214 . 0 0 "[ . 1]" 1
148 1 19 DG H1' 1 19 DG H2' 3.000 . 3.700 3.071 3.064 3.075 . 0 0 "[ . 1]" 1
149 1 19 DG H2'' 1 19 DG H8 3.500 2.300 4.200 3.528 3.492 3.569 . 0 0 "[ . 1]" 1
150 1 19 DG H2'' 1 19 DG H3' 3.000 . 3.700 2.715 2.712 2.717 . 0 0 "[ . 1]" 1
151 1 19 DG H2' 1 19 DG H3' 3.000 . 3.700 2.399 2.397 2.403 . 0 0 "[ . 1]" 1
152 1 19 DG H3' 1 19 DG H4' 3.000 . 3.700 2.743 2.739 2.748 . 0 0 "[ . 1]" 1
153 1 19 DG H3' 1 19 DG H8 4.000 . 5.000 4.380 4.362 4.398 . 0 0 "[ . 1]" 1
154 1 19 DG H1' 1 19 DG H4' 4.000 . 5.000 3.172 3.157 3.190 . 0 0 "[ . 1]" 1
155 1 1 DC H1' 1 1 DC H6 4.000 . 5.000 3.723 3.721 3.725 . 0 0 "[ . 1]" 1
156 1 1 DC H2' 1 1 DC H4' 4.000 . 5.000 3.922 3.897 3.941 . 0 0 "[ . 1]" 1
157 1 1 DC H2' 1 1 DC H2'' 4.000 . 5.000 1.759 1.758 1.759 0.042 9 0 "[ . 1]" 1
158 1 1 DC H2'' 1 1 DC H4' 4.000 . 5.000 3.967 3.955 3.978 . 0 0 "[ . 1]" 1
159 1 1 DC H1' 1 1 DC H3' 4.000 . 5.000 3.927 3.866 3.971 . 0 0 "[ . 1]" 1
160 1 1 DC H2' 1 1 DC H3' 4.000 . 5.000 2.358 2.343 2.376 . 0 0 "[ . 1]" 1
161 1 1 DC H2'' 1 1 DC H3' 4.000 . 5.000 2.740 2.731 2.755 . 0 0 "[ . 1]" 1
162 1 1 DC H4' 1 1 DC H6 4.000 . 5.000 4.549 4.431 4.708 . 0 0 "[ . 1]" 1
163 1 1 DC H1' 1 1 DC H5' 4.000 . 5.000 4.778 4.502 4.935 . 0 0 "[ . 1]" 1
164 1 1 DC H2' 1 1 DC H5' 4.000 . 5.000 4.289 3.061 4.538 . 0 0 "[ . 1]" 1
165 1 1 DC H5' 1 1 DC H6 4.000 3.500 5.000 4.032 3.518 4.535 . 0 0 "[ . 1]" 1
166 1 1 DC H1' 1 1 DC H5'' 4.000 . 5.000 4.884 4.382 5.047 0.047 8 0 "[ . 1]" 1
167 1 1 DC H2' 1 1 DC H5'' 4.000 . 5.000 3.709 3.318 4.242 . 0 0 "[ . 1]" 1
168 1 1 DC H5'' 1 1 DC H6 4.000 3.500 5.000 3.896 3.430 4.497 0.070 4 0 "[ . 1]" 1
169 1 2 DG H1' 1 2 DG H3' 4.000 . 5.000 3.871 3.845 3.893 . 0 0 "[ . 1]" 1
170 1 3 DG H1' 1 3 DG H8 4.000 . 5.000 3.861 3.853 3.870 . 0 0 "[ . 1]" 1
171 1 3 DG H2' 1 3 DG H4' 4.000 . 5.000 3.890 3.887 3.896 . 0 0 "[ . 1]" 1
172 1 3 DG H2'' 1 3 DG H4' 4.000 . 5.000 3.993 3.991 3.996 . 0 0 "[ . 1]" 1
173 1 3 DG H1' 1 3 DG H3' 4.000 . 5.000 3.852 3.845 3.864 . 0 0 "[ . 1]" 1
174 1 3 DG H3' 1 3 DG H4' 4.000 . 5.000 2.741 2.736 2.746 . 0 0 "[ . 1]" 1
175 1 3 DG H3' 1 3 DG H5' 4.000 . 5.000 3.659 3.653 3.669 . 0 0 "[ . 1]" 1
176 1 3 DG H3' 1 3 DG H8 4.000 . 5.000 4.282 4.259 4.309 . 0 0 "[ . 1]" 1
177 1 3 DG H4' 1 3 DG H8 4.000 . 5.000 5.063 5.029 5.099 0.099 3 0 "[ . 1]" 1
178 1 3 DG H5' 1 3 DG H8 4.000 3.500 5.000 4.384 4.277 4.517 . 0 0 "[ . 1]" 1
179 1 3 DG H5'' 1 3 DG H8 4.000 3.500 5.300 5.089 5.066 5.125 . 0 0 "[ . 1]" 1
180 1 11 DC H1' 1 11 DC H5 4.000 . 5.500 5.427 5.426 5.430 . 0 0 "[ . 1]" 1
181 1 11 DC H1' 1 11 DC H6 4.000 . 5.000 3.726 3.723 3.730 . 0 0 "[ . 1]" 1
182 1 11 DC H1' 1 11 DC H3' 4.000 . 5.000 3.927 3.920 3.933 . 0 0 "[ . 1]" 1
183 1 11 DC H3' 1 11 DC H6 3.500 2.300 4.200 3.493 3.458 3.514 . 0 0 "[ . 1]" 1
184 1 11 DC H4' 1 11 DC H6 4.000 . 5.000 4.710 4.702 4.729 . 0 0 "[ . 1]" 1
185 1 11 DC H5' 1 11 DC H6 4.000 3.500 5.000 4.441 4.403 4.460 . 0 0 "[ . 1]" 1
186 1 11 DC H5'' 1 11 DC H6 4.000 3.500 5.300 5.162 5.138 5.192 . 0 0 "[ . 1]" 1
187 1 12 DG H1' 1 12 DG H8 4.000 . 5.000 3.822 3.816 3.832 . 0 0 "[ . 1]" 1
188 1 12 DG H3' 1 12 DG H8 4.000 . 5.000 4.303 4.273 4.354 . 0 0 "[ . 1]" 1
189 1 12 DG H4' 1 12 DG H8 4.000 . 6.000 5.174 5.165 5.183 . 0 0 "[ . 1]" 1
190 1 12 DG H5' 1 12 DG H8 4.000 3.500 5.000 5.078 5.068 5.090 0.090 9 0 "[ . 1]" 1
191 1 12 DG H5'' 1 12 DG H8 4.000 3.500 5.200 3.436 3.424 3.454 0.076 8 0 "[ . 1]" 1
192 1 13 DG H1' 1 13 DG H2' 4.000 . 5.000 3.058 3.052 3.063 . 0 0 "[ . 1]" 1
193 1 13 DG H1' 1 13 DG H2'' 4.000 . 5.000 2.415 2.405 2.425 . 0 0 "[ . 1]" 1
194 1 13 DG H1' 1 13 DG H4' 4.000 . 5.000 3.314 3.302 3.322 . 0 0 "[ . 1]" 1
195 1 13 DG H1' 1 13 DG H5' 4.000 . 5.300 4.577 4.569 4.584 . 0 0 "[ . 1]" 1
196 1 13 DG H1' 1 13 DG H5'' 4.000 . 5.300 5.009 5.006 5.012 . 0 0 "[ . 1]" 1
197 1 13 DG H1' 1 13 DG H8 4.000 . 5.000 3.867 3.855 3.870 . 0 0 "[ . 1]" 1
198 1 13 DG H1' 1 13 DG H3' 4.000 . 5.000 3.855 3.849 3.862 . 0 0 "[ . 1]" 1
199 1 13 DG H4' 1 13 DG H8 4.000 . 5.000 4.995 4.976 5.054 0.054 8 0 "[ . 1]" 1
200 1 13 DG H5' 1 13 DG H8 4.000 3.500 5.000 4.221 4.179 4.324 . 0 0 "[ . 1]" 1
201 1 13 DG H5'' 1 13 DG H8 4.000 3.500 5.200 4.907 4.874 4.998 . 0 0 "[ . 1]" 1
202 1 14 DG H1' 1 14 DG H5' 4.000 4.000 5.300 4.581 4.569 4.587 . 0 0 "[ . 1]" 1
203 1 14 DG H2'' 1 14 DG H5' 4.500 4.000 6.000 5.161 5.151 5.166 . 0 0 "[ . 1]" 1
204 1 14 DG H1' 1 14 DG H2' 4.000 . 5.000 3.021 3.016 3.028 . 0 0 "[ . 1]" 1
205 1 14 DG H1' 1 14 DG H3' 4.000 . 5.000 3.959 3.942 3.971 . 0 0 "[ . 1]" 1
206 1 14 DG H1' 1 14 DG H4' 4.000 . 5.000 3.463 3.434 3.491 . 0 0 "[ . 1]" 1
207 1 14 DG H4' 1 14 DG H5' 4.000 . 5.000 2.528 2.521 2.538 . 0 0 "[ . 1]" 1
208 1 14 DG H5' 1 14 DG H8 4.000 3.500 5.000 3.932 3.898 3.968 . 0 0 "[ . 1]" 1
209 1 14 DG H1' 1 14 DG H5'' 4.000 4.000 5.300 5.088 5.079 5.095 . 0 0 "[ . 1]" 1
210 1 14 DG H5'' 1 14 DG H8 4.000 3.500 5.200 4.565 4.513 4.642 . 0 0 "[ . 1]" 1
211 1 14 DG H1' 1 14 DG H8 4.000 . 5.000 3.869 3.866 3.873 . 0 0 "[ . 1]" 1
212 1 15 DT H2' 1 15 DT H6 4.000 . 5.000 4.097 3.785 4.200 . 0 0 "[ . 1]" 1
213 1 16 DC H2' 1 16 DC H4' 4.000 . 5.000 3.721 3.717 3.724 . 0 0 "[ . 1]" 1
214 1 16 DC H2'' 1 16 DC H4' 4.000 . 5.000 2.618 2.610 2.622 . 0 0 "[ . 1]" 1
215 1 16 DC H2'' 1 16 DC H6 3.500 2.300 4.500 4.482 4.472 4.490 . 0 0 "[ . 1]" 1
216 1 16 DC H1' 1 16 DC H3' 4.000 . 5.000 3.789 3.782 3.795 . 0 0 "[ . 1]" 1
217 1 16 DC H3' 1 16 DC H4' 4.000 . 5.000 3.036 3.033 3.038 . 0 0 "[ . 1]" 1
218 1 16 DC H1' 1 16 DC H4' 4.000 . 5.000 3.269 3.247 3.287 . 0 0 "[ . 1]" 1
219 1 16 DC H4' 1 16 DC H6 4.000 . 5.000 4.059 4.048 4.078 . 0 0 "[ . 1]" 1
220 1 16 DC H5' 1 16 DC H6 4.000 3.500 5.000 3.558 3.534 3.598 . 0 0 "[ . 1]" 1
221 1 16 DC H5'' 1 16 DC H6 4.000 3.500 5.200 4.144 4.118 4.188 . 0 0 "[ . 1]" 1
222 1 17 DC H1' 1 17 DC H5 4.000 . 5.500 5.417 5.415 5.421 . 0 0 "[ . 1]" 1
223 1 17 DC H1' 1 17 DC H6 4.000 . 5.000 3.710 3.708 3.714 . 0 0 "[ . 1]" 1
224 1 17 DC H2' 1 17 DC H4' 4.000 . 5.000 3.903 3.900 3.907 . 0 0 "[ . 1]" 1
225 1 17 DC H2' 1 17 DC H5'' 4.000 . 5.000 4.093 4.081 4.109 . 0 0 "[ . 1]" 1
226 1 17 DC H4' 1 17 DC H6 4.000 . 5.000 4.772 4.751 4.782 . 0 0 "[ . 1]" 1
227 1 17 DC H5' 1 17 DC H6 4.000 3.500 5.000 4.186 4.145 4.207 . 0 0 "[ . 1]" 1
228 1 17 DC H1' 1 17 DC H5'' 4.000 . 5.500 4.991 4.984 5.001 . 0 0 "[ . 1]" 1
229 1 17 DC H5'' 1 17 DC H6 4.000 3.500 5.300 4.722 4.680 4.739 . 0 0 "[ . 1]" 1
230 1 18 DC H1' 1 18 DC H6 4.000 . 5.000 3.714 3.711 3.717 . 0 0 "[ . 1]" 1
231 1 18 DC H4' 1 18 DC H6 4.000 . 5.000 4.825 4.807 4.849 . 0 0 "[ . 1]" 1
232 1 18 DC H1' 1 18 DC H5 4.000 . 6.000 5.420 5.418 5.422 . 0 0 "[ . 1]" 1
233 1 18 DC H5' 1 18 DC H6 4.000 3.500 5.000 4.221 4.124 4.324 . 0 0 "[ . 1]" 1
234 1 18 DC H5'' 1 18 DC H6 4.000 3.500 6.000 4.963 4.934 4.995 . 0 0 "[ . 1]" 1
235 1 19 DG H4' 1 19 DG H8 4.000 . 5.000 5.084 5.061 5.101 0.101 8 0 "[ . 1]" 1
236 1 15 DT H1' 1 15 DT H6 2.500 . 3.000 2.245 2.235 2.302 . 0 0 "[ . 1]" 1
237 1 2 DG H1' 1 3 DG H8 4.000 . 5.000 3.815 3.553 4.012 . 0 0 "[ . 1]" 1
238 1 15 DT H3' 1 16 DC H6 5.000 2.800 6.000 4.039 4.007 4.090 . 0 0 "[ . 1]" 1
239 1 9 DA H2'' 1 10 DG H5'' 5.000 3.000 8.000 4.361 4.349 4.372 . 0 0 "[ . 1]" 1
240 1 9 DA H2'' 1 10 DG H5' 5.000 3.000 8.000 3.245 3.226 3.259 . 0 0 "[ . 1]" 1
241 1 1 DC H2' 1 2 DG H8 3.500 2.300 4.200 3.433 3.346 3.551 . 0 0 "[ . 1]" 1
242 1 1 DC H2'' 1 2 DG H8 3.500 2.300 4.200 2.325 2.230 2.434 0.070 7 0 "[ . 1]" 1
243 1 4 DG H2'' 1 5 DG H8 3.500 2.300 4.200 2.205 2.164 2.224 0.136 4 0 "[ . 1]" 1
244 1 7 DG H2' 1 8 DA H8 3.500 2.800 4.000 4.122 4.118 4.128 0.128 1 0 "[ . 1]" 1
245 1 7 DG H2'' 1 8 DA H8 3.000 . 3.500 2.373 2.368 2.378 . 0 0 "[ . 1]" 1
246 1 16 DC H2'' 1 17 DC H6 4.000 . 5.000 3.634 3.614 3.654 . 0 0 "[ . 1]" 1
247 1 16 DC H2' 1 17 DC H5 4.000 . 5.000 3.287 3.259 3.312 . 0 0 "[ . 1]" 1
248 1 16 DC H2' 1 17 DC H6 4.000 . 5.000 2.282 2.272 2.290 . 0 0 "[ . 1]" 1
249 1 17 DC H2' 1 18 DC H6 3.500 2.300 4.200 3.325 3.295 3.347 . 0 0 "[ . 1]" 1
250 1 18 DC H2' 1 19 DG H8 4.000 . 5.000 3.490 3.455 3.554 . 0 0 "[ . 1]" 1
251 1 18 DC H2'' 1 19 DG H8 4.000 . 5.000 2.359 2.329 2.392 . 0 0 "[ . 1]" 1
252 1 18 DC H3' 1 19 DG H8 4.000 . 5.000 4.987 4.954 5.012 0.012 6 0 "[ . 1]" 1
253 1 18 DC H1' 1 19 DG H8 4.000 . 5.000 3.852 3.763 3.944 . 0 0 "[ . 1]" 1
254 1 1 DC H1' 1 2 DG H8 4.000 . 5.000 3.984 3.859 4.062 . 0 0 "[ . 1]" 1
255 1 1 DC H3' 1 2 DG H8 4.000 . 5.000 4.816 4.625 5.017 0.017 4 0 "[ . 1]" 1
256 1 2 DG H2' 1 3 DG H8 4.000 . 5.000 3.631 3.529 3.818 . 0 0 "[ . 1]" 1
257 1 2 DG H2'' 1 3 DG H8 4.000 . 5.000 2.374 2.253 2.444 . 0 0 "[ . 1]" 1
258 1 1 DC H6 1 2 DG H8 5.000 2.800 6.000 5.040 4.791 5.257 . 0 0 "[ . 1]" 1
259 1 2 DG H3' 1 3 DG H8 4.000 . 5.000 4.984 4.925 5.027 0.027 4 0 "[ . 1]" 1
260 1 1 DC H1' 1 2 DG H4' 4.000 . 6.000 4.885 4.667 5.032 . 0 0 "[ . 1]" 1
261 1 3 DG H1' 1 4 DG H8 4.000 . 5.000 3.889 3.796 4.043 . 0 0 "[ . 1]" 1
262 1 3 DG H2'' 1 4 DG H8 4.000 . 5.000 2.476 2.443 2.514 . 0 0 "[ . 1]" 1
263 1 3 DG H3' 1 4 DG H8 4.000 . 5.000 5.082 5.049 5.101 0.101 9 0 "[ . 1]" 1
264 1 2 DG H8 1 3 DG H8 5.000 2.800 6.000 4.867 4.654 5.032 . 0 0 "[ . 1]" 1
265 1 4 DG H1' 1 5 DG H8 4.000 . 5.000 4.438 4.346 4.499 . 0 0 "[ . 1]" 1
266 1 4 DG H2' 1 5 DG H8 4.000 . 5.000 3.515 3.470 3.604 . 0 0 "[ . 1]" 1
267 1 4 DG H3' 1 5 DG H8 4.000 . 5.000 3.924 3.823 4.094 . 0 0 "[ . 1]" 1
268 1 3 DG H1' 1 4 DG H4' 5.000 2.800 6.000 4.502 4.374 4.766 . 0 0 "[ . 1]" 1
269 1 3 DG H1' 1 4 DG H5' 4.000 . 5.000 2.589 2.464 2.825 . 0 0 "[ . 1]" 1
270 1 3 DG H8 1 4 DG H8 5.000 2.800 6.000 4.324 4.203 4.545 . 0 0 "[ . 1]" 1
271 1 5 DG H1' 1 6 DC H6 4.000 . 5.000 5.058 5.050 5.065 0.065 8 0 "[ . 1]" 1
272 1 5 DG H2' 1 6 DC H5' 4.000 . 5.000 3.168 3.159 3.178 . 0 0 "[ . 1]" 1
273 1 5 DG H2' 1 6 DC H5'' 4.000 . 5.000 4.378 4.371 4.386 . 0 0 "[ . 1]" 1
274 1 5 DG H2' 1 6 DC H6 4.000 . 5.000 2.346 2.338 2.353 . 0 0 "[ . 1]" 1
275 1 5 DG H2'' 1 6 DC H5' 4.000 . 5.000 2.078 2.075 2.080 . 0 0 "[ . 1]" 1
276 1 5 DG H2'' 1 6 DC H5'' 4.000 . 5.000 3.424 3.419 3.427 . 0 0 "[ . 1]" 1
277 1 5 DG H2'' 1 6 DC H6 4.000 . 5.000 3.661 3.655 3.673 . 0 0 "[ . 1]" 1
278 1 4 DG H1' 1 5 DG H5' 4.000 . 5.000 2.685 2.490 2.772 . 0 0 "[ . 1]" 1
279 1 4 DG H8 1 5 DG H8 5.000 2.800 6.000 5.123 5.070 5.163 . 0 0 "[ . 1]" 1
280 1 6 DC H2' 1 7 DG H8 4.000 . 5.000 3.506 3.464 3.608 . 0 0 "[ . 1]" 1
281 1 6 DC H2'' 1 7 DG H8 4.000 . 5.000 2.567 2.529 2.625 . 0 0 "[ . 1]" 1
282 1 6 DC H3' 1 7 DG H8 4.000 . 5.000 4.681 4.646 4.755 . 0 0 "[ . 1]" 1
283 1 5 DG H1' 1 6 DC H5' 5.000 2.800 6.000 3.908 3.903 3.914 . 0 0 "[ . 1]" 1
284 1 5 DG H8 1 6 DC H6 5.000 2.800 6.000 5.303 5.284 5.322 . 0 0 "[ . 1]" 1
285 1 7 DG H1' 1 8 DA H8 3.000 . 3.500 3.318 3.282 3.341 . 0 0 "[ . 1]" 1
286 1 6 DC H1' 1 7 DG H5' 4.000 . 5.000 2.258 2.240 2.269 . 0 0 "[ . 1]" 1
287 1 7 DG H3' 1 8 DA H8 4.000 . 5.000 4.204 4.184 4.217 . 0 0 "[ . 1]" 1
288 1 6 DC H1' 1 7 DG H4' 4.000 . 5.000 3.917 3.910 3.931 . 0 0 "[ . 1]" 1
289 1 7 DG H4' 1 8 DA H5' 4.000 3.000 5.000 3.520 3.511 3.539 . 0 0 "[ . 1]" 1
290 1 7 DG H4' 1 8 DA H5'' 4.000 3.000 6.000 5.173 5.165 5.194 . 0 0 "[ . 1]" 1
291 1 7 DG H4' 1 8 DA H8 4.000 3.000 5.500 5.077 5.065 5.089 . 0 0 "[ . 1]" 1
292 1 6 DC H6 1 7 DG H8 5.000 2.800 6.000 4.756 4.719 4.845 . 0 0 "[ . 1]" 1
293 1 7 DG H1' 1 8 DA H5' 5.000 4.000 6.000 4.257 4.248 4.271 . 0 0 "[ . 1]" 1
294 1 7 DG H1' 1 8 DA H5'' 5.000 4.000 6.200 5.829 5.818 5.844 . 0 0 "[ . 1]" 1
295 1 7 DG H2'' 1 8 DA H2' 5.000 4.500 7.000 4.761 4.746 4.771 . 0 0 "[ . 1]" 1
296 1 7 DG H3' 1 8 DA H5' 5.000 4.000 6.000 4.324 4.315 4.333 . 0 0 "[ . 1]" 1
297 1 7 DG H3' 1 8 DA H5'' 5.000 4.000 6.000 5.491 5.480 5.499 . 0 0 "[ . 1]" 1
298 1 10 DG H1' 1 11 DC H5 4.000 . 5.000 4.899 4.824 4.996 . 0 0 "[ . 1]" 1
299 1 10 DG H1' 1 11 DC H6 4.000 . 5.000 3.912 3.857 3.950 . 0 0 "[ . 1]" 1
300 1 10 DG H2' 1 11 DC H6 4.000 . 5.000 4.222 4.149 4.283 . 0 0 "[ . 1]" 1
301 1 10 DG H1' 1 11 DC H1' 4.000 . 5.500 5.002 4.959 5.042 . 0 0 "[ . 1]" 1
302 1 10 DG H8 1 11 DC H6 5.000 2.800 6.000 4.882 4.827 4.954 . 0 0 "[ . 1]" 1
303 1 10 DG H8 1 11 DC H5 4.000 . 5.000 4.025 3.987 4.089 . 0 0 "[ . 1]" 1
304 1 11 DC H6 1 12 DG H5'' 5.000 2.800 6.500 6.660 6.645 6.678 0.178 2 0 "[ . 1]" 1
305 1 11 DC H1' 1 12 DG H5' 5.000 2.800 6.000 5.361 5.313 5.410 . 0 0 "[ . 1]" 1
306 1 11 DC H1' 1 12 DG H5'' 5.000 2.800 6.000 5.168 5.105 5.228 . 0 0 "[ . 1]" 1
307 1 11 DC H2' 1 12 DG H5' 4.000 . 5.000 5.056 5.034 5.072 0.072 1 0 "[ . 1]" 1
308 1 11 DC H2' 1 12 DG H5'' 4.000 . 5.000 4.499 4.484 4.513 . 0 0 "[ . 1]" 1
309 1 11 DC H2'' 1 12 DG H5' 4.000 . 5.000 3.670 3.648 3.699 . 0 0 "[ . 1]" 1
310 1 11 DC H2'' 1 12 DG H5'' 4.000 . 5.000 3.174 3.143 3.210 . 0 0 "[ . 1]" 1
311 1 13 DG H1' 1 14 DG H1' 4.000 . 5.500 5.072 5.013 5.119 . 0 0 "[ . 1]" 1
312 1 13 DG H1' 1 14 DG H5' 4.000 4.000 5.500 4.513 4.499 4.549 . 0 0 "[ . 1]" 1
313 1 13 DG H1' 1 14 DG H5'' 4.000 4.000 6.000 6.154 6.147 6.175 0.175 8 0 "[ . 1]" 1
314 1 13 DG H2'' 1 14 DG H5' 5.000 5.000 7.000 5.208 5.193 5.239 . 0 0 "[ . 1]" 1
315 1 13 DG H2'' 1 14 DG H5'' 5.000 5.000 7.000 6.508 6.488 6.522 . 0 0 "[ . 1]" 1
316 1 13 DG H2'' 1 14 DG H8 3.500 3.000 4.000 3.184 3.049 3.329 . 0 0 "[ . 1]" 1
317 1 13 DG H4' 1 14 DG H5' 3.500 2.500 4.000 2.886 2.767 2.977 . 0 0 "[ . 1]" 1
318 1 13 DG H4' 1 14 DG H8 4.000 4.000 5.500 4.774 4.695 4.833 . 0 0 "[ . 1]" 1
319 1 13 DG H1' 1 14 DG H8 4.000 . 5.000 3.900 3.698 4.037 . 0 0 "[ . 1]" 1
320 1 13 DG H3' 1 14 DG H8 4.000 . 5.000 4.135 4.085 4.176 . 0 0 "[ . 1]" 1
321 1 14 DG H1' 1 15 DT H6 5.000 5.000 7.500 6.555 6.452 6.644 . 0 0 "[ . 1]" 1
322 1 14 DG H4' 1 15 DT H6 4.500 4.000 6.000 5.444 5.216 5.673 . 0 0 "[ . 1]" 1
323 1 14 DG H5' 1 15 DT H6 5.000 5.000 7.500 7.434 7.187 7.598 0.098 3 0 "[ . 1]" 1
324 1 14 DG H5' 1 15 DT M7 5.000 5.000 8.500 6.069 5.771 6.257 . 0 0 "[ . 1]" 1
325 1 15 DT H2' 1 16 DC H6 4.000 . 5.000 2.666 2.637 2.690 . 0 0 "[ . 1]" 1
326 1 16 DC H1' 1 17 DC H6 4.000 . 5.000 5.047 5.040 5.055 0.055 7 0 "[ . 1]" 1
327 1 16 DC H5 1 17 DC H5 5.000 2.800 6.000 4.138 4.099 4.174 . 0 0 "[ . 1]" 1
328 1 15 DT H6 1 16 DC H6 5.000 2.800 6.000 5.065 4.623 5.237 . 0 0 "[ . 1]" 1
329 1 16 DC H6 1 17 DC H6 4.000 . 5.000 5.128 5.110 5.143 0.143 9 0 "[ . 1]" 1
330 1 17 DC H1' 1 18 DC H5 4.000 . 5.000 4.630 4.608 4.672 . 0 0 "[ . 1]" 1
331 1 17 DC H1' 1 18 DC H6 4.000 . 5.000 3.685 3.593 3.778 . 0 0 "[ . 1]" 1
332 1 17 DC H2' 1 18 DC H5 4.000 . 5.000 3.263 3.212 3.317 . 0 0 "[ . 1]" 1
333 1 16 DC H3' 1 17 DC H6 4.000 . 5.000 3.154 3.131 3.182 . 0 0 "[ . 1]" 1
334 1 17 DC H2'' 1 18 DC H5 4.000 . 5.000 3.447 3.411 3.486 . 0 0 "[ . 1]" 1
335 1 16 DC H6 1 17 DC H5 4.000 . 5.000 3.936 3.914 3.957 . 0 0 "[ . 1]" 1
336 1 17 DC H5 1 18 DC H5 4.000 . 5.000 3.613 3.580 3.660 . 0 0 "[ . 1]" 1
337 1 17 DC H6 1 18 DC H5 4.000 . 5.000 3.275 3.224 3.360 . 0 0 "[ . 1]" 1
338 1 17 DC H5 1 18 DC H6 4.000 . 5.500 5.579 5.541 5.599 0.099 10 0 "[ . 1]" 1
339 1 17 DC H6 1 18 DC H6 4.000 . 5.000 4.388 4.342 4.415 . 0 0 "[ . 1]" 1
340 1 18 DC H6 1 19 DG H8 4.000 . 5.000 4.380 4.265 4.484 . 0 0 "[ . 1]" 1
341 1 3 DG H1 1 4 DG H1 4.000 . 5.000 3.347 3.269 3.452 . 0 0 "[ . 1]" 1
342 1 2 DG H1 1 3 DG H1 4.000 . 5.000 3.306 3.151 3.444 . 0 0 "[ . 1]" 1
343 1 12 DG H1 1 13 DG H1 4.000 . 5.000 3.742 3.543 4.108 . 0 0 "[ . 1]" 1
344 1 13 DG H1 1 14 DG H1 4.000 . 5.000 4.290 4.075 4.430 . 0 0 "[ . 1]" 1
345 1 5 DG H1 1 10 DG H1 4.000 . 5.000 3.688 3.648 3.752 . 0 0 "[ . 1]" 1
346 1 4 DG H8 1 12 DG H1 3.000 . 3.700 2.970 2.807 3.114 . 0 0 "[ . 1]" 1
347 1 3 DG H8 1 13 DG H1 3.000 . 3.700 3.115 3.044 3.211 . 0 0 "[ . 1]" 1
348 1 2 DG H8 1 14 DG H1 3.000 . 3.700 3.231 3.143 3.431 . 0 0 "[ . 1]" 1
349 1 3 DG H8 1 12 DG H1 4.000 . 5.000 3.244 3.163 3.362 . 0 0 "[ . 1]" 1
350 1 2 DG H8 1 13 DG H1 4.000 . 5.000 3.461 3.170 3.571 . 0 0 "[ . 1]" 1
351 1 1 DC H6 1 14 DG H1 4.000 . 5.000 3.983 3.716 4.297 . 0 0 "[ . 1]" 1
352 1 1 DC H5 1 14 DG H1 4.000 . 5.000 4.182 3.680 4.601 . 0 0 "[ . 1]" 1
353 1 1 DC H2' 1 14 DG H1 4.000 . 5.000 3.538 3.179 3.855 . 0 0 "[ . 1]" 1
354 1 1 DC H2'' 1 14 DG H1 4.000 . 5.000 4.035 3.767 4.299 . 0 0 "[ . 1]" 1
355 1 2 DG H2' 1 13 DG H1 4.000 . 5.000 3.542 3.404 3.683 . 0 0 "[ . 1]" 1
356 1 2 DG H2'' 1 13 DG H1 4.000 . 5.000 3.806 3.658 3.986 . 0 0 "[ . 1]" 1
357 1 3 DG H2' 1 12 DG H1 4.000 . 5.000 3.698 3.516 3.803 . 0 0 "[ . 1]" 1
358 1 3 DG H2'' 1 12 DG H1 4.000 . 5.000 4.134 3.900 4.295 . 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 67
_Distance_constraint_stats_list.Viol_count 406
_Distance_constraint_stats_list.Viol_total 243.182
_Distance_constraint_stats_list.Viol_max 0.206
_Distance_constraint_stats_list.Viol_rms 0.0410
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0363
_Distance_constraint_stats_list.Viol_average_violations_only 0.0599
_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 DC 1.816 0.092 2 0 "[ . 1]"
1 2 DG 6.209 0.161 7 0 "[ . 1]"
1 3 DG 2.816 0.082 4 0 "[ . 1]"
1 4 DG 5.380 0.206 3 0 "[ . 1]"
1 5 DG 2.686 0.151 8 0 "[ . 1]"
1 6 DC 2.791 0.113 8 0 "[ . 1]"
1 7 DG 2.618 0.143 3 0 "[ . 1]"
1 9 DA 2.618 0.143 3 0 "[ . 1]"
1 10 DG 2.791 0.113 8 0 "[ . 1]"
1 11 DC 2.686 0.151 8 0 "[ . 1]"
1 12 DG 1.771 0.112 10 0 "[ . 1]"
1 13 DG 1.473 0.082 4 0 "[ . 1]"
1 14 DG 3.455 0.161 7 0 "[ . 1]"
1 16 DC 3.609 0.206 3 0 "[ . 1]"
1 17 DC 1.343 0.069 2 0 "[ . 1]"
1 18 DC 2.754 0.120 10 0 "[ . 1]"
1 19 DG 1.816 0.092 2 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 7 DG N3 1 9 DA H62 1.900 . 2.200 2.224 2.222 2.225 0.025 9 0 "[ . 1]" 2
2 1 7 DG N3 1 9 DA N6 2.900 2.600 3.200 3.221 3.219 3.222 0.022 2 0 "[ . 1]" 2
3 1 7 DG H22 1 9 DA N7 1.900 . 2.200 2.337 2.329 2.343 0.143 3 0 "[ . 1]" 2
4 1 7 DG N2 1 9 DA N7 2.900 2.600 3.200 3.270 3.258 3.277 0.077 3 0 "[ . 1]" 2
5 1 7 DG N3 1 9 DA N7 3.600 3.100 3.900 3.380 3.361 3.392 . 0 0 "[ . 1]" 2
6 1 7 DG O4' 1 9 DA H61 1.900 . 2.200 2.210 2.202 2.216 0.016 1 0 "[ . 1]" 2
7 1 7 DG O4' 1 9 DA N6 2.900 2.600 3.200 2.642 2.640 2.645 . 0 0 "[ . 1]" 2
8 1 1 DC N3 1 19 DG N1 2.870 2.670 3.070 2.919 2.895 2.929 . 0 0 "[ . 1]" 2
9 1 1 DC N3 1 19 DG H1 1.860 . 2.060 1.919 1.897 1.929 . 0 0 "[ . 1]" 2
10 1 1 DC N4 1 19 DG O6 2.810 2.610 3.010 3.097 3.090 3.102 0.092 2 0 "[ . 1]" 2
11 1 1 DC H41 1 19 DG O6 1.860 . 2.060 2.093 2.090 2.098 0.038 3 0 "[ . 1]" 2
12 1 1 DC O2 1 19 DG N2 2.810 2.610 3.010 2.644 2.640 2.651 . 0 0 "[ . 1]" 2
13 1 1 DC O2 1 19 DG H21 1.790 . 1.990 1.679 1.668 1.700 . 0 0 "[ . 1]" 2
14 1 1 DC N3 1 19 DG N2 3.580 3.380 3.780 3.382 3.363 3.396 0.017 3 0 "[ . 1]" 2
15 1 1 DC N3 1 19 DG O6 3.630 3.430 3.830 3.888 3.873 3.899 0.069 8 0 "[ . 1]" 2
16 1 2 DG N1 1 18 DC N3 2.870 2.670 3.070 2.903 2.877 2.938 . 0 0 "[ . 1]" 2
17 1 2 DG H1 1 18 DC N3 1.860 . 2.060 1.907 1.881 1.942 . 0 0 "[ . 1]" 2
18 1 2 DG O6 1 18 DC N4 2.810 2.610 3.010 3.095 3.087 3.104 0.094 4 0 "[ . 1]" 2
19 1 2 DG O6 1 18 DC H41 1.860 . 2.060 2.117 2.110 2.125 0.065 5 0 "[ . 1]" 2
20 1 2 DG N2 1 18 DC O2 2.810 2.610 3.010 2.701 2.663 2.760 . 0 0 "[ . 1]" 2
21 1 2 DG H21 1 18 DC O2 1.790 . 1.990 1.763 1.715 1.821 . 0 0 "[ . 1]" 2
22 1 2 DG N2 1 18 DC N3 3.580 3.380 3.780 3.329 3.311 3.340 0.069 8 0 "[ . 1]" 2
23 1 2 DG O6 1 18 DC N3 3.630 3.430 3.830 3.912 3.888 3.950 0.120 10 0 "[ . 1]" 2
24 1 3 DG N1 1 17 DC N3 2.870 2.670 3.070 2.884 2.850 2.935 . 0 0 "[ . 1]" 2
25 1 3 DG H1 1 17 DC N3 1.860 . 2.060 1.884 1.854 1.932 . 0 0 "[ . 1]" 2
26 1 3 DG O6 1 17 DC N4 2.810 2.610 3.010 3.047 3.038 3.057 0.047 8 0 "[ . 1]" 2
27 1 3 DG O6 1 17 DC H41 1.860 . 2.060 2.081 2.072 2.086 0.026 7 0 "[ . 1]" 2
28 1 3 DG N2 1 17 DC O2 2.810 2.610 3.010 2.787 2.716 2.858 . 0 0 "[ . 1]" 2
29 1 3 DG H21 1 17 DC O2 1.790 . 1.990 1.848 1.776 1.908 . 0 0 "[ . 1]" 2
30 1 3 DG N2 1 17 DC N3 3.580 3.380 3.780 3.347 3.312 3.423 0.068 3 0 "[ . 1]" 2
31 1 3 DG O6 1 17 DC N3 3.630 3.430 3.830 3.868 3.848 3.899 0.069 2 0 "[ . 1]" 2
32 1 4 DG N1 1 16 DC N3 2.870 2.670 3.070 2.942 2.914 2.971 . 0 0 "[ . 1]" 2
33 1 4 DG H1 1 16 DC N3 1.860 . 2.060 1.950 1.923 1.977 . 0 0 "[ . 1]" 2
34 1 4 DG O6 1 16 DC N4 2.810 2.610 3.110 3.069 3.047 3.082 . 0 0 "[ . 1]" 2
35 1 4 DG O6 1 16 DC H41 1.860 . 2.060 2.126 2.113 2.143 0.083 5 0 "[ . 1]" 2
36 1 4 DG N2 1 16 DC O2 3.210 3.010 3.410 2.931 2.902 2.944 0.108 5 0 "[ . 1]" 2
37 1 4 DG H21 1 16 DC O2 1.790 . 1.990 2.020 1.995 2.036 0.046 9 0 "[ . 1]" 2
38 1 4 DG N2 1 16 DC N3 3.080 2.880 3.280 3.323 3.276 3.355 0.075 8 0 "[ . 1]" 2
39 1 4 DG O6 1 16 DC N3 3.630 3.430 3.830 3.972 3.937 4.036 0.206 3 0 "[ . 1]" 2
40 1 5 DG N1 1 11 DC N3 2.870 2.670 3.070 2.853 2.805 2.878 . 0 0 "[ . 1]" 2
41 1 5 DG H1 1 11 DC N3 1.860 . 2.060 1.862 1.816 1.888 . 0 0 "[ . 1]" 2
42 1 5 DG O6 1 11 DC N4 2.810 2.610 3.010 3.019 3.010 3.026 0.016 3 0 "[ . 1]" 2
43 1 5 DG O6 1 11 DC H41 1.800 . 2.000 2.132 2.125 2.151 0.151 8 0 "[ . 1]" 2
44 1 5 DG N2 1 11 DC O2 2.810 2.610 3.010 2.910 2.889 2.943 . 0 0 "[ . 1]" 2
45 1 5 DG H21 1 11 DC O2 1.790 . 1.990 2.016 1.995 2.039 0.049 1 0 "[ . 1]" 2
46 1 5 DG N2 1 11 DC N3 3.580 3.380 3.780 3.815 3.786 3.835 0.055 3 0 "[ . 1]" 2
47 1 5 DG O6 1 11 DC N3 3.630 3.430 3.830 3.363 3.318 3.385 0.112 8 0 "[ . 1]" 2
48 1 6 DC N3 1 10 DG N1 2.870 2.670 3.070 2.881 2.862 2.897 . 0 0 "[ . 1]" 2
49 1 6 DC N3 1 10 DG H1 1.860 . 2.060 1.888 1.869 1.903 . 0 0 "[ . 1]" 2
50 1 6 DC N4 1 10 DG O6 2.870 2.670 3.070 2.992 2.987 2.997 . 0 0 "[ . 1]" 2
51 1 6 DC H41 1 10 DG O6 1.860 . 2.060 2.115 2.111 2.119 0.059 8 0 "[ . 1]" 2
52 1 6 DC O2 1 10 DG N2 2.810 2.610 3.010 3.057 3.047 3.062 0.052 8 0 "[ . 1]" 2
53 1 6 DC O2 1 10 DG H21 1.860 . 2.060 2.160 2.151 2.173 0.113 8 0 "[ . 1]" 2
54 1 6 DC N3 1 10 DG N2 3.580 3.380 3.780 3.825 3.810 3.838 0.058 3 0 "[ . 1]" 2
55 1 6 DC N3 1 10 DG O6 3.630 3.430 3.830 3.398 3.384 3.410 0.046 8 0 "[ . 1]" 2
56 1 2 DG N7 1 14 DG N1 2.870 2.670 3.170 3.229 3.220 3.235 0.065 10 0 "[ . 1]" 2
57 1 2 DG N7 1 14 DG H1 1.860 . 2.160 2.225 2.220 2.229 0.069 4 0 "[ . 1]" 2
58 1 2 DG O6 1 14 DG N2 2.810 2.610 3.110 3.187 3.145 3.215 0.105 1 0 "[ . 1]" 2
59 1 2 DG O6 1 14 DG H21 1.860 . 2.160 2.305 2.287 2.321 0.161 7 0 "[ . 1]" 2
60 1 3 DG N7 1 13 DG N1 2.870 2.670 3.170 3.237 3.229 3.252 0.082 4 0 "[ . 1]" 2
61 1 3 DG N7 1 13 DG H1 1.860 . 2.160 2.229 2.220 2.242 0.082 4 0 "[ . 1]" 2
62 1 3 DG O6 1 13 DG N2 2.810 2.610 3.110 3.037 3.020 3.057 . 0 0 "[ . 1]" 2
63 1 3 DG O6 1 13 DG H21 1.860 . 2.160 2.168 2.134 2.200 0.040 8 0 "[ . 1]" 2
64 1 4 DG N7 1 12 DG N1 2.870 2.670 3.170 3.226 3.198 3.248 0.078 6 0 "[ . 1]" 2
65 1 4 DG N7 1 12 DG H1 1.860 . 2.160 2.261 2.252 2.272 0.112 10 0 "[ . 1]" 2
66 1 4 DG O6 1 12 DG N2 2.810 2.610 3.110 2.873 2.784 2.955 . 0 0 "[ . 1]" 2
67 1 4 DG O6 1 12 DG H21 1.860 . 2.160 2.177 2.140 2.218 0.058 3 0 "[ . 1]" 2
stop_
save_
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