NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
374768 |
1ekh   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ekh
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 300
_Distance_constraint_stats_list.Viol_count 212
_Distance_constraint_stats_list.Viol_total 196.440
_Distance_constraint_stats_list.Viol_max 1.900
_Distance_constraint_stats_list.Viol_rms 0.1099
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0182
_Distance_constraint_stats_list.Viol_average_violations_only 0.1544
_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 1.204 0.824 3 1 "[ + . ]"
1 2 DT 0.816 0.335 2 0 "[ . ]"
1 3 DG 0.834 0.334 3 0 "[ . ]"
1 4 DG 2.142 0.253 2 0 "[ . ]"
1 5 DC 1.204 0.253 2 0 "[ . ]"
1 6 DC 0.828 0.244 5 0 "[ . ]"
1 7 DA 7.520 1.900 1 3 "[+*- . ]"
1 8 DA 6.777 1.900 1 3 "[+-* . ]"
2 1 DT 2.942 0.770 3 2 "[ *+ . ]"
2 2 DT 2.174 0.770 3 1 "[ + . ]"
2 3 DG 2.008 0.816 3 1 "[ + . ]"
2 4 DG 2.065 0.205 2 0 "[ . ]"
2 5 DC 0.754 0.205 2 0 "[ . ]"
2 6 DC 0.378 0.131 5 0 "[ . ]"
2 7 DA 7.167 1.728 2 3 "[-+* . ]"
2 8 DA 7.085 1.728 2 3 "[*+- . ]"
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 5 DC H4' 1 5 DC H5'' 2.400 . 3.000 2.562 2.454 2.808 . 0 0 "[ . ]" 1
2 2 5 DC H4' 2 5 DC H5'' 2.400 . 3.000 2.611 2.536 2.747 . 0 0 "[ . ]" 1
3 1 5 DC H4' 1 5 DC H5' 2.400 . 3.000 2.429 2.323 2.531 . 0 0 "[ . ]" 1
4 2 5 DC H4' 2 5 DC H5' 2.400 . 3.000 2.423 2.360 2.468 . 0 0 "[ . ]" 1
5 1 5 DC H2' 1 5 DC H2'' 2.400 . 3.000 1.798 1.754 1.839 0.046 3 0 "[ . ]" 1
6 2 5 DC H2' 2 5 DC H2'' 2.400 . 3.000 1.810 1.781 1.854 0.019 6 0 "[ . ]" 1
7 1 5 DC H2'' 1 6 DC H6 2.900 . 4.000 2.946 2.776 3.059 . 0 0 "[ . ]" 1
8 2 5 DC H2'' 2 6 DC H6 2.900 . 4.000 3.023 2.859 3.362 . 0 0 "[ . ]" 1
9 1 5 DC H2'' 1 6 DC H5 3.900 . 6.000 4.290 4.096 4.441 . 0 0 "[ . ]" 1
10 2 5 DC H2'' 2 6 DC H5 3.900 . 6.000 4.343 4.189 4.754 . 0 0 "[ . ]" 1
11 1 1 DT H6 1 1 DT M7 2.900 . 4.000 2.316 2.252 2.352 . 0 0 "[ . ]" 1
12 2 1 DT H6 2 1 DT M7 2.900 . 4.000 2.339 2.286 2.405 . 0 0 "[ . ]" 1
13 1 1 DT Q2' 1 2 DT M7 3.900 . 6.000 3.069 2.640 3.998 . 0 0 "[ . ]" 1
14 2 1 DT Q2' 2 2 DT M7 3.900 . 6.000 3.367 2.269 5.465 . 0 0 "[ . ]" 1
15 1 2 DT H6 1 2 DT M7 2.900 . 4.000 2.385 2.336 2.437 . 0 0 "[ . ]" 1
16 2 2 DT H6 2 2 DT M7 2.900 . 4.000 2.362 2.303 2.425 . 0 0 "[ . ]" 1
17 1 6 DC H2'' 1 7 DA H8 2.900 . 4.000 3.102 2.502 3.888 . 0 0 "[ . ]" 1
18 2 6 DC H2'' 2 7 DA H8 2.900 . 4.000 2.771 2.502 2.879 . 0 0 "[ . ]" 1
19 1 6 DC H2'' 1 7 DA H5' 2.900 . 4.000 2.914 2.330 4.164 0.164 5 0 "[ . ]" 1
20 2 6 DC H2'' 2 7 DA H5' 2.900 . 4.000 2.800 2.288 4.131 0.131 5 0 "[ . ]" 1
21 1 6 DC H1' 1 6 DC H2'' 2.900 . 4.000 2.227 2.155 2.350 . 0 0 "[ . ]" 1
22 2 6 DC H1' 2 6 DC H2'' 2.900 . 4.000 2.214 2.175 2.269 . 0 0 "[ . ]" 1
23 1 6 DC H2' 1 6 DC H2'' 2.400 . 3.000 1.809 1.780 1.855 0.020 2 0 "[ . ]" 1
24 2 6 DC H2' 2 6 DC H2'' 2.400 . 3.000 1.785 1.768 1.798 0.032 3 0 "[ . ]" 1
25 1 5 DC H2' 1 5 DC H3' 2.400 . 3.000 2.407 2.355 2.483 . 0 0 "[ . ]" 1
26 2 5 DC H2' 2 5 DC H3' 2.400 . 3.000 2.417 2.368 2.500 . 0 0 "[ . ]" 1
27 1 1 DT Q2' 1 1 DT H6 2.400 . 3.000 3.165 2.926 3.824 0.824 3 1 "[ + . ]" 1
28 2 1 DT Q2' 2 1 DT H6 2.400 . 3.000 3.180 2.881 3.741 0.741 2 2 "[ +- . ]" 1
29 1 1 DT H1' 1 1 DT Q2' 2.900 . 3.000 2.210 2.198 2.246 . 0 0 "[ . ]" 1
30 2 1 DT H1' 2 1 DT Q2' 2.900 . 3.000 2.227 2.193 2.289 . 0 0 "[ . ]" 1
31 1 8 DA H2'' 1 8 DA H3' 2.400 . 3.000 2.585 2.317 3.068 0.068 1 0 "[ . ]" 1
32 2 8 DA H2' 2 8 DA H3' 2.400 . 3.000 2.512 2.322 2.783 . 0 0 "[ . ]" 1
33 1 8 DA H2'' 1 8 DA H8 2.900 . 4.000 4.263 4.090 4.448 0.448 1 0 "[ . ]" 1
34 2 8 DA H2' 2 8 DA H8 2.900 . 4.000 3.344 2.702 4.264 0.264 2 0 "[ . ]" 1
35 1 6 DC H2' 1 7 DA H8 2.900 . 4.000 2.307 2.083 2.512 . 0 0 "[ . ]" 1
36 2 6 DC H2' 2 7 DA H8 2.900 . 4.000 2.341 2.032 2.854 . 0 0 "[ . ]" 1
37 1 4 DG H1' 1 4 DG H2'' 2.400 . 3.000 2.264 2.240 2.290 . 0 0 "[ . ]" 1
38 2 4 DG H1' 2 4 DG H2'' 2.400 . 3.000 2.191 2.161 2.210 . 0 0 "[ . ]" 1
39 1 3 DG H2'' 1 3 DG H4' 2.400 . 3.000 2.644 2.082 3.334 0.334 3 0 "[ . ]" 1
40 2 3 DG H2'' 2 3 DG H4' 2.400 . 3.000 2.796 2.082 3.816 0.816 3 1 "[ + . ]" 1
41 1 4 DG H2' 1 4 DG H2'' 2.400 . 3.000 1.764 1.759 1.769 0.041 1 0 "[ . ]" 1
42 2 4 DG H2' 2 4 DG H2'' 2.400 . 3.000 1.759 1.751 1.769 0.049 1 0 "[ . ]" 1
43 1 3 DG H2' 1 3 DG H2'' 2.400 . 3.000 1.790 1.775 1.803 0.025 5 0 "[ . ]" 1
44 2 3 DG H2' 2 3 DG H2'' 2.400 . 3.000 1.791 1.776 1.810 0.024 6 0 "[ . ]" 1
45 1 3 DG H1' 1 3 DG H2'' 2.400 . 3.000 2.324 2.278 2.350 . 0 0 "[ . ]" 1
46 2 3 DG H1' 2 3 DG H2'' 2.400 . 3.000 2.329 2.300 2.347 . 0 0 "[ . ]" 1
47 1 4 DG H2'' 1 5 DC H6 2.900 . 4.000 4.117 4.015 4.253 0.253 2 0 "[ . ]" 1
48 2 4 DG H2'' 2 5 DC H6 2.900 . 4.000 4.087 3.974 4.205 0.205 2 0 "[ . ]" 1
49 1 2 DT H2'' 1 2 DT H3' 2.400 . 3.000 2.876 2.701 3.054 0.054 4 0 "[ . ]" 1
50 2 2 DT H2'' 2 2 DT H3' 2.400 . 3.000 3.002 2.706 3.100 0.100 2 0 "[ . ]" 1
51 1 2 DT H2'' 1 3 DG H8 3.900 . 6.000 3.083 2.133 4.130 . 0 0 "[ . ]" 1
52 2 2 DT H2'' 2 3 DG H8 3.900 . 6.000 3.700 2.129 4.077 . 0 0 "[ . ]" 1
53 1 8 DA H2' 1 8 DA H3' 2.400 . 3.000 2.654 2.429 2.763 . 0 0 "[ . ]" 1
54 2 8 DA H2'' 2 8 DA H3' 2.400 . 3.000 2.728 2.315 3.082 0.082 1 0 "[ . ]" 1
55 1 8 DA H1' 1 8 DA H2' 2.400 . 3.000 2.801 2.754 2.936 . 0 0 "[ . ]" 1
56 2 8 DA H1' 2 8 DA H2'' 2.400 . 3.000 2.351 2.269 2.472 . 0 0 "[ . ]" 1
57 1 8 DA H2' 1 8 DA H4' 2.900 . 4.000 3.904 3.749 4.039 0.039 5 0 "[ . ]" 1
58 2 8 DA H2'' 2 8 DA H4' 2.900 . 4.000 3.457 2.661 4.205 0.205 4 0 "[ . ]" 1
59 1 2 DT H2' 1 3 DG H8 2.900 . 4.000 2.434 2.147 2.638 . 0 0 "[ . ]" 1
60 2 2 DT H2' 2 3 DG H8 2.900 . 4.000 2.455 2.283 2.758 . 0 0 "[ . ]" 1
61 1 2 DT H2' 1 2 DT H3' 2.900 . 4.000 2.403 2.340 2.482 . 0 0 "[ . ]" 1
62 2 2 DT H2' 2 2 DT H3' 2.900 . 4.000 2.445 2.331 2.505 . 0 0 "[ . ]" 1
63 1 7 DA H2' 1 7 DA H2'' 2.400 . 3.000 1.796 1.768 1.821 0.032 5 0 "[ . ]" 1
64 2 7 DA H2' 2 7 DA H2'' 2.400 . 3.000 1.806 1.776 1.835 0.024 6 0 "[ . ]" 1
65 1 7 DA Q2' 1 7 DA H8 2.400 . 3.000 2.139 1.866 2.488 . 0 0 "[ . ]" 1
66 2 7 DA Q2' 2 7 DA H8 2.400 . 3.000 2.221 1.904 2.565 . 0 0 "[ . ]" 1
67 1 7 DA Q2' 1 7 DA H3' 2.400 . 3.000 2.232 2.131 2.371 . 0 0 "[ . ]" 1
68 2 7 DA Q2' 2 7 DA H3' 2.400 . 3.000 2.210 2.129 2.291 . 0 0 "[ . ]" 1
69 1 7 DA H1' 1 7 DA Q2' 2.400 . 3.000 2.389 2.340 2.409 . 0 0 "[ . ]" 1
70 2 7 DA H1' 2 7 DA Q2' 2.400 . 3.000 2.400 2.375 2.431 . 0 0 "[ . ]" 1
71 1 4 DG H2' 1 4 DG H3' 2.400 . 3.000 2.507 2.474 2.536 . 0 0 "[ . ]" 1
72 2 4 DG H2' 2 4 DG H3' 2.400 . 3.000 2.545 2.522 2.563 . 0 0 "[ . ]" 1
73 1 4 DG H2' 1 5 DC H5 3.900 . 6.000 4.393 4.248 4.581 . 0 0 "[ . ]" 1
74 2 4 DG H2' 2 5 DC H5 3.900 . 6.000 4.363 4.188 4.548 . 0 0 "[ . ]" 1
75 1 4 DG H1' 1 4 DG H2' 2.400 . 3.000 2.933 2.904 2.954 . 0 0 "[ . ]" 1
76 2 4 DG H1' 2 4 DG H2' 2.400 . 3.000 2.869 2.827 2.905 . 0 0 "[ . ]" 1
77 1 4 DG H2' 1 5 DC H6 2.400 . 3.000 2.395 2.297 2.512 . 0 0 "[ . ]" 1
78 2 4 DG H2' 2 5 DC H6 2.400 . 3.000 2.376 2.265 2.500 . 0 0 "[ . ]" 1
79 1 7 DA Q2' 1 8 DA H8 2.900 . 4.000 2.349 2.035 2.745 . 0 0 "[ . ]" 1
80 2 7 DA Q2' 2 8 DA H8 2.900 . 4.000 2.352 2.000 2.605 . 0 0 "[ . ]" 1
81 1 3 DG H2' 1 3 DG H8 3.900 . 6.000 3.710 3.464 3.927 . 0 0 "[ . ]" 1
82 2 3 DG H2' 2 3 DG H8 3.900 . 6.000 3.660 2.865 4.024 . 0 0 "[ . ]" 1
83 1 3 DG H1' 1 3 DG H2' 2.400 . 3.000 2.850 2.684 3.045 0.045 1 0 "[ . ]" 1
84 2 3 DG H1' 2 3 DG H2' 2.400 . 3.000 2.866 2.657 3.056 0.056 1 0 "[ . ]" 1
85 1 3 DG H2' 1 3 DG H4' 2.900 . 4.000 3.574 3.264 3.899 . 0 0 "[ . ]" 1
86 2 3 DG H2' 2 3 DG H4' 2.900 . 4.000 3.599 3.265 3.980 . 0 0 "[ . ]" 1
87 1 3 DG H2' 1 3 DG H3' 2.900 . 4.000 2.341 2.266 2.407 . 0 0 "[ . ]" 1
88 2 3 DG H2' 2 3 DG H3' 2.900 . 4.000 2.328 2.255 2.402 . 0 0 "[ . ]" 1
89 1 4 DG H2' 1 5 DC H5' 2.900 . 4.000 2.995 2.610 4.120 0.120 1 0 "[ . ]" 1
90 2 4 DG H2' 2 5 DC H5' 2.900 . 4.000 2.979 2.592 3.727 . 0 0 "[ . ]" 1
91 1 5 DC H5' 1 5 DC H6 3.900 . 6.000 4.252 3.925 4.924 . 0 0 "[ . ]" 1
92 2 5 DC H5' 2 5 DC H6 3.900 . 6.000 4.265 4.125 4.618 . 0 0 "[ . ]" 1
93 1 5 DC H3' 1 5 DC H5' 3.900 . 6.000 3.635 3.609 3.684 . 0 0 "[ . ]" 1
94 2 5 DC H3' 2 5 DC H5' 3.900 . 6.000 3.666 3.596 3.725 . 0 0 "[ . ]" 1
95 1 5 DC H5' 1 5 DC H5'' 2.400 . 3.000 1.809 1.746 1.829 0.054 1 0 "[ . ]" 1
96 2 5 DC H5' 2 5 DC H5'' 2.400 . 3.000 1.807 1.772 1.827 0.028 4 0 "[ . ]" 1
97 1 6 DC H4' 1 6 DC H5' 2.400 . 3.000 2.668 2.316 3.036 0.036 2 0 "[ . ]" 1
98 2 6 DC H4' 2 6 DC H5' 2.400 . 3.000 2.701 2.273 3.056 0.056 3 0 "[ . ]" 1
99 1 6 DC H5' 1 6 DC H5'' 2.400 . 3.000 1.787 1.755 1.829 0.045 2 0 "[ . ]" 1
100 2 6 DC H5' 2 6 DC H5'' 2.400 . 3.000 1.792 1.774 1.812 0.026 6 0 "[ . ]" 1
101 1 5 DC H2' 1 6 DC H5' 3.900 . 6.000 3.566 2.953 5.140 . 0 0 "[ . ]" 1
102 2 5 DC H2' 2 6 DC H5' 3.900 . 6.000 3.182 2.863 3.517 . 0 0 "[ . ]" 1
103 1 5 DC H2'' 1 6 DC H5' 2.900 . 4.000 2.818 1.968 4.012 0.012 1 0 "[ . ]" 1
104 2 5 DC H2'' 2 6 DC H5' 2.900 . 4.000 2.776 1.928 3.590 . 0 0 "[ . ]" 1
105 1 6 DC H5' 1 6 DC H6 3.900 . 6.000 3.092 1.834 4.653 . 0 0 "[ . ]" 1
106 2 6 DC H5' 2 6 DC H6 3.900 . 6.000 2.579 1.886 3.449 . 0 0 "[ . ]" 1
107 1 6 DC H1' 1 7 DA H5' 3.900 . 6.000 4.433 3.736 6.244 0.244 5 0 "[ . ]" 1
108 2 6 DC H1' 2 7 DA H5' 3.900 . 6.000 4.021 3.215 5.796 . 0 0 "[ . ]" 1
109 1 7 DA H5' 1 7 DA H5'' 2.400 . 3.000 1.805 1.789 1.855 0.011 2 0 "[ . ]" 1
110 2 7 DA H5' 2 7 DA H5'' 2.400 . 3.000 1.795 1.787 1.804 0.013 2 0 "[ . ]" 1
111 1 7 DA H5' 1 7 DA H8 3.900 . 6.000 4.419 4.123 4.754 . 0 0 "[ . ]" 1
112 2 7 DA H5' 2 7 DA H8 3.900 . 6.000 4.561 4.141 4.782 . 0 0 "[ . ]" 1
113 1 7 DA H3' 1 7 DA H5' 2.900 . 4.000 3.470 2.146 4.011 0.011 6 0 "[ . ]" 1
114 2 7 DA H3' 2 7 DA H5' 2.900 . 4.000 3.430 2.168 3.734 . 0 0 "[ . ]" 1
115 1 7 DA H4' 1 7 DA H5' 2.400 . 3.000 2.455 2.366 2.573 . 0 0 "[ . ]" 1
116 2 7 DA H4' 2 7 DA H5' 2.400 . 3.000 2.480 2.289 2.700 . 0 0 "[ . ]" 1
117 1 4 DG H4' 1 5 DC H6 3.900 . 6.000 5.925 5.797 6.037 0.037 3 0 "[ . ]" 1
118 2 4 DG H4' 2 5 DC H6 3.900 . 6.000 5.923 5.797 6.108 0.108 2 0 "[ . ]" 1
119 1 4 DG H2' 1 4 DG H4' 3.900 . 6.000 3.676 3.599 3.730 . 0 0 "[ . ]" 1
120 2 4 DG H2' 2 4 DG H4' 3.900 . 6.000 3.673 3.638 3.712 . 0 0 "[ . ]" 1
121 1 4 DG H1' 1 4 DG H4' 2.900 . 4.000 2.739 2.613 2.823 . 0 0 "[ . ]" 1
122 2 4 DG H1' 2 4 DG H4' 2.900 . 4.000 2.799 2.638 2.911 . 0 0 "[ . ]" 1
123 1 4 DG H3' 1 4 DG H4' 2.400 . 3.000 3.072 3.046 3.101 0.101 2 0 "[ . ]" 1
124 2 4 DG H3' 2 4 DG H4' 2.400 . 3.000 3.072 3.048 3.098 0.098 2 0 "[ . ]" 1
125 1 4 DG H4' 1 4 DG H5'' 2.400 . 3.000 3.097 3.084 3.118 0.118 4 0 "[ . ]" 1
126 2 4 DG H4' 2 4 DG H5'' 2.400 . 3.000 3.101 3.085 3.138 0.138 6 0 "[ . ]" 1
127 1 4 DG H5' 1 4 DG H5'' 2.400 . 3.000 1.791 1.770 1.801 0.030 4 0 "[ . ]" 1
128 2 4 DG H5' 2 4 DG H5'' 2.400 . 3.000 1.787 1.759 1.800 0.041 6 0 "[ . ]" 1
129 1 7 DA H5'' 1 7 DA H8 3.900 . 6.000 4.575 2.956 5.447 . 0 0 "[ . ]" 1
130 2 7 DA H5'' 2 7 DA H8 3.900 . 6.000 4.918 3.097 5.391 . 0 0 "[ . ]" 1
131 1 7 DA H3' 1 7 DA H5'' 2.400 . 3.000 2.617 2.291 3.229 0.229 6 0 "[ . ]" 1
132 2 7 DA H3' 2 7 DA H5'' 2.400 . 3.000 2.607 2.256 3.017 0.017 6 0 "[ . ]" 1
133 1 1 DT H4' 1 1 DT H6 3.900 . 6.000 4.142 3.978 4.193 . 0 0 "[ . ]" 1
134 2 1 DT H4' 2 1 DT H6 3.900 . 6.000 4.306 3.963 5.272 . 0 0 "[ . ]" 1
135 1 1 DT H1' 1 1 DT H4' 2.900 . 4.000 3.099 2.982 3.438 . 0 0 "[ . ]" 1
136 2 1 DT H1' 2 1 DT H4' 2.900 . 4.000 3.247 2.966 3.730 . 0 0 "[ . ]" 1
137 1 8 DA H4' 1 8 DA H8 3.900 . 6.000 3.837 2.305 4.257 . 0 0 "[ . ]" 1
138 2 8 DA H4' 2 8 DA H8 3.900 . 6.000 3.908 2.565 4.374 . 0 0 "[ . ]" 1
139 1 8 DA H3' 1 8 DA H4' 2.400 . 3.000 2.504 2.275 3.105 0.105 1 0 "[ . ]" 1
140 2 8 DA H3' 2 8 DA H4' 2.400 . 3.000 2.534 2.292 3.085 0.085 1 0 "[ . ]" 1
141 1 8 DA H1' 1 8 DA H4' 2.900 . 4.000 3.448 2.832 3.913 . 0 0 "[ . ]" 1
142 2 8 DA H1' 2 8 DA H4' 2.900 . 4.000 3.606 3.437 3.795 . 0 0 "[ . ]" 1
143 1 7 DA H1' 1 8 DA H4' 2.900 . 4.000 4.442 2.214 5.900 1.900 1 3 "[+-* . ]" 1
144 2 7 DA H1' 2 8 DA H4' 2.900 . 4.000 4.535 2.831 5.728 1.728 2 3 "[*+- . ]" 1
145 1 5 DC H2'' 1 5 DC H3' 3.900 . 6.000 3.082 3.032 3.125 . 0 0 "[ . ]" 1
146 2 5 DC H2'' 2 5 DC H3' 3.900 . 6.000 3.068 3.045 3.083 . 0 0 "[ . ]" 1
147 1 5 DC H3' 1 6 DC H6 3.900 . 6.000 3.943 3.822 4.086 . 0 0 "[ . ]" 1
148 2 5 DC H3' 2 6 DC H6 3.900 . 6.000 3.911 3.745 3.983 . 0 0 "[ . ]" 1
149 1 5 DC H3' 1 5 DC H6 2.900 . 4.000 3.199 2.733 3.908 . 0 0 "[ . ]" 1
150 2 5 DC H3' 2 5 DC H6 2.900 . 4.000 3.244 2.769 3.869 . 0 0 "[ . ]" 1
151 1 2 DT Q5' 1 2 DT H6 3.900 . 6.000 2.905 2.064 3.700 . 0 0 "[ . ]" 1
152 2 2 DT Q5' 2 2 DT H6 3.900 . 6.000 2.629 2.035 3.711 . 0 0 "[ . ]" 1
153 1 6 DC H2' 1 6 DC H5'' 3.900 . 6.000 4.602 3.855 5.140 . 0 0 "[ . ]" 1
154 2 6 DC H2' 2 6 DC H5'' 3.900 . 6.000 4.301 4.086 4.553 . 0 0 "[ . ]" 1
155 1 5 DC H2'' 1 6 DC H5'' 2.900 . 4.000 3.174 1.839 4.224 0.224 1 0 "[ . ]" 1
156 2 5 DC H2'' 2 6 DC H5'' 2.900 . 4.000 2.847 1.851 3.830 . 0 0 "[ . ]" 1
157 1 4 DG H1' 1 4 DG H3' 2.900 . 4.000 3.882 3.865 3.897 . 0 0 "[ . ]" 1
158 2 4 DG H1' 2 4 DG H3' 2.900 . 4.000 3.893 3.869 3.907 . 0 0 "[ . ]" 1
159 1 6 DC H4' 1 6 DC H5'' 2.400 . 3.000 2.513 2.317 2.780 . 0 0 "[ . ]" 1
160 2 6 DC H4' 2 6 DC H5'' 2.400 . 3.000 2.400 2.189 2.471 . 0 0 "[ . ]" 1
161 1 4 DG H2'' 1 4 DG H3' 2.900 . 4.000 3.096 3.081 3.107 . 0 0 "[ . ]" 1
162 2 4 DG H2'' 2 4 DG H3' 2.900 . 4.000 3.089 3.068 3.114 . 0 0 "[ . ]" 1
163 1 4 DG H3' 1 4 DG H8 2.900 . 4.000 3.647 3.474 3.834 . 0 0 "[ . ]" 1
164 2 4 DG H3' 2 4 DG H8 2.900 . 4.000 3.542 3.387 3.811 . 0 0 "[ . ]" 1
165 1 7 DA H4' 1 7 DA H8 3.900 . 6.000 4.748 4.528 4.862 . 0 0 "[ . ]" 1
166 2 7 DA H4' 2 7 DA H8 3.900 . 6.000 4.857 4.757 4.900 . 0 0 "[ . ]" 1
167 1 7 DA H3' 1 7 DA H4' 2.400 . 3.000 2.728 2.070 2.908 . 0 0 "[ . ]" 1
168 2 7 DA H3' 2 7 DA H4' 2.400 . 3.000 2.861 2.795 2.889 . 0 0 "[ . ]" 1
169 1 7 DA H1' 1 7 DA H4' 2.900 . 4.000 3.060 2.737 3.271 . 0 0 "[ . ]" 1
170 2 7 DA H1' 2 7 DA H4' 2.900 . 4.000 2.947 2.798 3.092 . 0 0 "[ . ]" 1
171 1 8 DA Q5' 1 8 DA H8 3.900 . 6.000 2.970 1.957 4.294 . 0 0 "[ . ]" 1
172 2 8 DA Q5' 2 8 DA H8 3.900 . 6.000 2.917 2.114 4.509 . 0 0 "[ . ]" 1
173 1 3 DG H3' 1 3 DG H5'' 2.900 . 4.000 2.763 2.388 3.122 . 0 0 "[ . ]" 1
174 2 3 DG H3' 2 3 DG H5'' 2.900 . 4.000 2.752 2.286 3.138 . 0 0 "[ . ]" 1
175 1 3 DG H5'' 1 3 DG H8 3.900 . 6.000 3.847 3.256 4.214 . 0 0 "[ . ]" 1
176 2 3 DG H5'' 2 3 DG H8 3.900 . 6.000 4.076 3.714 4.375 . 0 0 "[ . ]" 1
177 1 8 DA H3' 1 8 DA Q5' 3.900 . 6.000 3.236 2.849 3.505 . 0 0 "[ . ]" 1
178 2 8 DA H3' 2 8 DA Q5' 3.900 . 6.000 2.951 2.117 3.424 . 0 0 "[ . ]" 1
179 1 2 DT H4' 1 2 DT H6 3.900 . 6.000 4.190 3.952 4.486 . 0 0 "[ . ]" 1
180 2 2 DT H4' 2 2 DT H6 3.900 . 6.000 4.095 3.937 4.530 . 0 0 "[ . ]" 1
181 1 2 DT H1' 1 2 DT H4' 2.900 . 4.000 3.349 3.128 3.560 . 0 0 "[ . ]" 1
182 2 2 DT H1' 2 2 DT H4' 2.900 . 4.000 3.405 3.200 3.630 . 0 0 "[ . ]" 1
183 1 2 DT H3' 1 2 DT H4' 2.400 . 3.000 2.928 2.801 3.040 0.040 5 0 "[ . ]" 1
184 2 2 DT H3' 2 2 DT H4' 2.400 . 3.000 3.014 2.818 3.086 0.086 3 0 "[ . ]" 1
185 1 3 DG H3' 1 3 DG H4' 2.900 . 4.000 3.019 2.959 3.086 . 0 0 "[ . ]" 1
186 2 3 DG H3' 2 3 DG H4' 2.900 . 4.000 2.994 2.922 3.069 . 0 0 "[ . ]" 1
187 1 3 DG H1' 1 3 DG H4' 2.900 . 4.000 2.983 2.614 3.252 . 0 0 "[ . ]" 1
188 2 3 DG H1' 2 3 DG H4' 2.900 . 4.000 3.038 2.585 3.305 . 0 0 "[ . ]" 1
189 1 3 DG H5' 1 3 DG H8 3.900 . 6.000 4.449 3.818 5.148 . 0 0 "[ . ]" 1
190 2 3 DG H5' 2 3 DG H8 3.900 . 6.000 4.279 3.795 5.213 . 0 0 "[ . ]" 1
191 1 3 DG H3' 1 3 DG H5' 2.900 . 4.000 3.206 2.576 3.761 . 0 0 "[ . ]" 1
192 2 3 DG H3' 2 3 DG H5' 2.900 . 4.000 3.362 2.608 3.763 . 0 0 "[ . ]" 1
193 1 6 DC H2' 1 6 DC H4' 3.900 . 6.000 3.921 3.523 4.209 . 0 0 "[ . ]" 1
194 2 6 DC H2' 2 6 DC H4' 3.900 . 6.000 4.100 4.009 4.204 . 0 0 "[ . ]" 1
195 1 6 DC H1' 1 6 DC H4' 3.900 . 6.000 3.499 3.208 3.736 . 0 0 "[ . ]" 1
196 2 6 DC H1' 2 6 DC H4' 3.900 . 6.000 3.541 3.295 3.748 . 0 0 "[ . ]" 1
197 1 6 DC H4' 1 6 DC H6 3.900 . 6.000 3.729 1.856 4.142 . 0 0 "[ . ]" 1
198 2 6 DC H4' 2 6 DC H6 3.900 . 6.000 4.126 4.018 4.211 . 0 0 "[ . ]" 1
199 1 8 DA H3' 1 8 DA H8 2.900 . 4.000 3.372 1.975 4.060 0.060 6 0 "[ . ]" 1
200 2 8 DA H3' 2 8 DA H8 2.900 . 4.000 3.623 1.994 5.480 1.480 2 1 "[ + . ]" 1
201 1 8 DA H1' 1 8 DA H3' 3.900 . 6.000 3.997 3.758 4.101 . 0 0 "[ . ]" 1
202 2 8 DA H1' 2 8 DA H3' 3.900 . 6.000 3.953 3.803 4.109 . 0 0 "[ . ]" 1
203 1 3 DG H1' 1 3 DG H3' 3.900 . 6.000 3.835 3.743 3.919 . 0 0 "[ . ]" 1
204 2 3 DG H1' 2 3 DG H3' 3.900 . 6.000 3.836 3.730 4.000 . 0 0 "[ . ]" 1
205 1 3 DG H3' 1 3 DG H8 2.900 . 4.000 3.096 2.392 4.037 0.037 3 0 "[ . ]" 1
206 2 3 DG H3' 2 3 DG H8 2.900 . 4.000 3.280 2.421 4.158 0.158 2 0 "[ . ]" 1
207 1 2 DT H1' 1 2 DT H3' 3.900 . 6.000 3.815 3.800 3.823 . 0 0 "[ . ]" 1
208 2 2 DT H1' 2 2 DT H3' 3.900 . 6.000 3.803 3.785 3.831 . 0 0 "[ . ]" 1
209 1 2 DT H3' 1 2 DT M7 3.900 . 6.000 4.966 4.010 5.849 . 0 0 "[ . ]" 1
210 2 2 DT H3' 2 2 DT M7 3.900 . 6.000 4.375 3.711 5.635 . 0 0 "[ . ]" 1
211 1 2 DT H3' 1 2 DT H6 2.900 . 4.000 3.433 2.306 4.335 0.335 2 0 "[ . ]" 1
212 2 2 DT H3' 2 2 DT H6 2.900 . 4.000 2.877 2.194 4.045 0.045 1 0 "[ . ]" 1
213 1 7 DA H3' 1 7 DA H8 2.900 . 4.000 4.324 4.097 4.615 0.615 2 2 "[ +- . ]" 1
214 2 7 DA H3' 2 7 DA H8 2.900 . 4.000 4.414 4.073 4.762 0.762 2 3 "[-+* . ]" 1
215 1 7 DA H1' 1 7 DA H3' 2.900 . 4.000 3.461 2.101 3.824 . 0 0 "[ . ]" 1
216 2 7 DA H1' 2 7 DA H3' 2.900 . 4.000 3.702 3.599 3.815 . 0 0 "[ . ]" 1
217 1 7 DA H3' 1 8 DA H8 3.900 . 6.000 4.949 4.128 5.483 . 0 0 "[ . ]" 1
218 2 7 DA H3' 2 8 DA H8 3.900 . 6.000 4.960 4.295 5.316 . 0 0 "[ . ]" 1
219 1 5 DC H5 1 5 DC H6 2.400 . 3.000 2.509 2.499 2.518 . 0 0 "[ . ]" 1
220 2 5 DC H5 2 5 DC H6 2.400 . 3.000 2.506 2.498 2.517 . 0 0 "[ . ]" 1
221 1 6 DC H5 1 6 DC H6 2.400 . 3.000 2.467 2.431 2.502 . 0 0 "[ . ]" 1
222 2 6 DC H5 2 6 DC H6 2.400 . 3.000 2.478 2.465 2.498 . 0 0 "[ . ]" 1
223 1 5 DC H6 1 6 DC H5 3.900 . 6.000 4.214 4.001 4.447 . 0 0 "[ . ]" 1
224 2 5 DC H6 2 6 DC H5 3.900 . 6.000 4.222 4.104 4.430 . 0 0 "[ . ]" 1
225 1 6 DC H1' 1 6 DC H5 3.900 . 6.000 5.462 5.345 5.548 . 0 0 "[ . ]" 1
226 2 6 DC H1' 2 6 DC H5 3.900 . 6.000 5.509 5.464 5.544 . 0 0 "[ . ]" 1
227 1 5 DC H1' 1 5 DC H6 2.900 . 4.000 3.603 3.537 3.678 . 0 0 "[ . ]" 1
228 2 5 DC H1' 2 5 DC H6 2.900 . 4.000 3.600 3.554 3.657 . 0 0 "[ . ]" 1
229 1 5 DC H1' 1 6 DC H6 3.900 . 6.000 4.588 4.471 4.697 . 0 0 "[ . ]" 1
230 2 5 DC H1' 2 6 DC H6 3.900 . 6.000 4.631 4.518 4.732 . 0 0 "[ . ]" 1
231 1 5 DC H1' 1 6 DC H5' 3.900 . 6.000 4.874 4.032 5.925 . 0 0 "[ . ]" 1
232 2 5 DC H1' 2 6 DC H5' 3.900 . 6.000 4.841 4.056 5.592 . 0 0 "[ . ]" 1
233 1 5 DC H1' 1 5 DC H2' 2.400 . 3.000 2.954 2.923 2.996 . 0 0 "[ . ]" 1
234 2 5 DC H1' 2 5 DC H2' 2.400 . 3.000 2.948 2.865 2.982 . 0 0 "[ . ]" 1
235 1 1 DT H1' 1 1 DT M7 3.900 . 6.000 5.164 5.104 5.262 . 0 0 "[ . ]" 1
236 2 1 DT H1' 2 1 DT M7 3.900 . 6.000 5.028 4.332 5.247 . 0 0 "[ . ]" 1
237 1 1 DT H1' 1 2 DT M7 3.900 . 6.000 4.990 4.824 5.238 . 0 0 "[ . ]" 1
238 2 1 DT H1' 2 2 DT M7 3.900 . 6.000 5.183 4.229 6.770 0.770 3 1 "[ + . ]" 1
239 1 1 DT H1' 1 1 DT H6 2.900 . 4.000 3.652 3.614 3.729 . 0 0 "[ . ]" 1
240 2 1 DT H1' 2 1 DT H6 2.900 . 4.000 3.431 2.255 3.732 . 0 0 "[ . ]" 1
241 1 2 DT H1' 1 2 DT M7 3.900 . 6.000 5.147 5.026 5.257 . 0 0 "[ . ]" 1
242 2 2 DT H1' 2 2 DT M7 3.900 . 6.000 5.134 5.028 5.265 . 0 0 "[ . ]" 1
243 1 2 DT H1' 1 3 DG H8 3.900 . 6.000 4.459 3.836 5.121 . 0 0 "[ . ]" 1
244 2 2 DT H1' 2 3 DG H8 3.900 . 6.000 4.707 3.727 5.021 . 0 0 "[ . ]" 1
245 1 2 DT H1' 1 2 DT H6 3.900 . 6.000 3.670 3.596 3.724 . 0 0 "[ . ]" 1
246 2 2 DT H1' 2 2 DT H6 3.900 . 6.000 3.643 3.498 3.738 . 0 0 "[ . ]" 1
247 1 7 DA H1' 1 8 DA H8 3.900 . 6.000 3.344 2.798 3.680 . 0 0 "[ . ]" 1
248 2 7 DA H1' 2 8 DA H8 3.900 . 6.000 3.465 3.096 3.970 . 0 0 "[ . ]" 1
249 1 7 DA H1' 1 7 DA H8 2.900 . 4.000 3.759 3.619 3.851 . 0 0 "[ . ]" 1
250 2 7 DA H1' 2 7 DA H8 2.900 . 4.000 3.778 3.683 3.840 . 0 0 "[ . ]" 1
251 1 6 DC H1' 1 6 DC H2' 2.400 . 3.000 2.845 2.610 2.988 . 0 0 "[ . ]" 1
252 2 6 DC H1' 2 6 DC H2' 2.400 . 3.000 2.977 2.953 2.998 . 0 0 "[ . ]" 1
253 1 6 DC H1' 1 6 DC H6 3.900 . 6.000 3.751 3.669 3.837 . 0 0 "[ . ]" 1
254 2 6 DC H1' 2 6 DC H6 3.900 . 6.000 3.755 3.696 3.827 . 0 0 "[ . ]" 1
255 1 6 DC H1' 1 7 DA H8 3.900 . 6.000 4.612 4.146 4.970 . 0 0 "[ . ]" 1
256 2 6 DC H1' 2 7 DA H8 3.900 . 6.000 4.514 4.060 4.790 . 0 0 "[ . ]" 1
257 1 8 DA H1' 1 8 DA H8 2.900 . 4.000 3.826 3.715 3.895 . 0 0 "[ . ]" 1
258 2 8 DA H1' 2 8 DA H8 2.900 . 4.000 3.724 3.182 3.897 . 0 0 "[ . ]" 1
259 1 8 DA H1' 1 8 DA H2'' 2.400 . 3.000 2.316 2.262 2.395 . 0 0 "[ . ]" 1
260 2 8 DA H1' 2 8 DA H2' 2.400 . 3.000 2.873 2.753 3.091 0.091 2 0 "[ . ]" 1
261 1 3 DG H1' 1 3 DG H8 3.900 . 6.000 3.795 3.714 3.869 . 0 0 "[ . ]" 1
262 2 3 DG H1' 2 3 DG H8 3.900 . 6.000 3.793 3.690 3.863 . 0 0 "[ . ]" 1
263 1 7 DA H2 2 3 DG H1' 3.900 . 6.000 3.935 3.590 4.349 . 0 0 "[ . ]" 1
264 1 3 DG H1' 2 7 DA H2 3.900 . 6.000 3.788 3.603 4.047 . 0 0 "[ . ]" 1
265 1 5 DC H2' 1 5 DC H6 3.900 . 6.000 3.604 3.440 3.868 . 0 0 "[ . ]" 1
266 2 5 DC H2' 2 5 DC H6 3.900 . 6.000 3.656 3.463 3.827 . 0 0 "[ . ]" 1
267 1 5 DC H5'' 1 5 DC H6 3.900 . 6.000 4.897 4.666 5.117 . 0 0 "[ . ]" 1
268 2 5 DC H5'' 2 5 DC H6 3.900 . 6.000 4.907 4.761 5.065 . 0 0 "[ . ]" 1
269 1 5 DC H2'' 1 5 DC H6 3.900 . 6.000 4.511 4.431 4.648 . 0 0 "[ . ]" 1
270 2 5 DC H2'' 2 5 DC H6 3.900 . 6.000 4.528 4.407 4.633 . 0 0 "[ . ]" 1
271 1 5 DC H4' 1 5 DC H6 3.900 . 6.000 4.363 4.242 4.486 . 0 0 "[ . ]" 1
272 2 5 DC H4' 2 5 DC H6 3.900 . 6.000 4.361 4.313 4.412 . 0 0 "[ . ]" 1
273 1 4 DG H1' 1 4 DG H8 3.900 . 6.000 3.584 3.538 3.622 . 0 0 "[ . ]" 1
274 2 4 DG H1' 2 4 DG H8 3.900 . 6.000 3.666 3.634 3.695 . 0 0 "[ . ]" 1
275 1 4 DG H5'' 1 4 DG H8 3.900 . 6.000 3.704 3.439 4.088 . 0 0 "[ . ]" 1
276 2 4 DG H5'' 2 4 DG H8 3.900 . 6.000 3.578 3.390 3.855 . 0 0 "[ . ]" 1
277 1 5 DC H4' 1 6 DC H6 3.900 . 6.000 5.322 5.179 5.539 . 0 0 "[ . ]" 1
278 2 5 DC H4' 2 6 DC H6 3.900 . 6.000 5.329 5.083 5.469 . 0 0 "[ . ]" 1
279 1 6 DC H2' 1 6 DC H6 3.900 . 6.000 3.399 2.948 4.163 . 0 0 "[ . ]" 1
280 2 6 DC H2' 2 6 DC H6 3.900 . 6.000 3.085 2.996 3.168 . 0 0 "[ . ]" 1
281 1 1 DT H3' 1 1 DT H6 3.900 . 6.000 2.192 2.089 2.667 . 0 0 "[ . ]" 1
282 2 1 DT H3' 2 1 DT H6 3.900 . 6.000 2.613 2.094 4.653 . 0 0 "[ . ]" 1
283 1 1 DT H6 1 2 DT M7 3.900 . 6.000 2.826 2.568 3.233 . 0 0 "[ . ]" 1
284 2 1 DT H6 2 2 DT M7 3.900 . 6.000 3.186 2.544 4.283 . 0 0 "[ . ]" 1
285 1 1 DT H1' 1 2 DT H6 3.900 . 6.000 5.132 4.767 5.583 . 0 0 "[ . ]" 1
286 2 1 DT H1' 2 2 DT H6 3.900 . 6.000 5.448 4.858 6.421 0.421 3 0 "[ . ]" 1
287 1 1 DT Q2' 1 2 DT H6 2.900 . 4.000 2.470 2.161 3.241 . 0 0 "[ . ]" 1
288 2 1 DT Q2' 2 2 DT H6 2.900 . 4.000 2.829 2.225 4.361 0.361 3 0 "[ . ]" 1
289 1 3 DG H2'' 1 3 DG H8 3.900 . 6.000 4.611 4.604 4.615 . 0 0 "[ . ]" 1
290 2 3 DG H2'' 2 3 DG H8 3.900 . 6.000 4.578 4.242 4.680 . 0 0 "[ . ]" 1
291 1 2 DT H3' 1 3 DG H8 3.900 . 6.000 3.630 2.838 4.440 . 0 0 "[ . ]" 1
292 2 2 DT H3' 2 3 DG H8 3.900 . 6.000 2.997 2.569 4.534 . 0 0 "[ . ]" 1
293 1 7 DA H4' 1 8 DA H8 3.900 . 6.000 5.947 5.498 6.259 0.259 3 0 "[ . ]" 1
294 2 7 DA H4' 2 8 DA H8 3.900 . 6.000 5.914 5.771 6.044 0.044 5 0 "[ . ]" 1
295 1 6 DC H3' 1 7 DA H8 3.900 . 6.000 3.685 2.859 4.062 . 0 0 "[ . ]" 1
296 2 6 DC H3' 2 7 DA H8 3.900 . 6.000 4.026 3.721 4.439 . 0 0 "[ . ]" 1
297 1 6 DC H5 2 3 DG H1 3.900 . 6.000 5.085 5.016 5.192 . 0 0 "[ . ]" 1
298 1 3 DG H1 2 6 DC H5 3.900 . 6.000 5.069 4.964 5.157 . 0 0 "[ . ]" 1
299 1 6 DC H5 2 4 DG H1 3.900 . 6.000 4.502 4.250 4.728 . 0 0 "[ . ]" 1
300 1 4 DG H1 2 6 DC H5 3.900 . 6.000 4.559 4.241 4.899 . 0 0 "[ . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 20
_Distance_constraint_stats_list.Viol_count 1
_Distance_constraint_stats_list.Viol_total 0.113
_Distance_constraint_stats_list.Viol_max 0.019
_Distance_constraint_stats_list.Viol_rms 0.0017
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0189
_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 DT 0.019 0.019 4 0 "[ . ]"
1 2 DT 0.000 0.000 . 0 "[ . ]"
1 3 DG 0.000 0.000 . 0 "[ . ]"
1 4 DG 0.000 0.000 . 0 "[ . ]"
1 5 DC 0.000 0.000 . 0 "[ . ]"
1 6 DC 0.000 0.000 . 0 "[ . ]"
1 7 DA 0.000 0.000 . 0 "[ . ]"
1 8 DA 0.000 0.000 . 0 "[ . ]"
2 1 DT 0.000 0.000 . 0 "[ . ]"
2 2 DT 0.000 0.000 . 0 "[ . ]"
2 3 DG 0.000 0.000 . 0 "[ . ]"
2 4 DG 0.000 0.000 . 0 "[ . ]"
2 5 DC 0.000 0.000 . 0 "[ . ]"
2 6 DC 0.000 0.000 . 0 "[ . ]"
2 7 DA 0.000 0.000 . 0 "[ . ]"
2 8 DA 0.019 0.019 4 0 "[ . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 DT N3 2 8 DA N1 2.820 2.320 3.320 2.832 2.802 2.860 . 0 0 "[ . ]" 2
2 1 1 DT O4 2 8 DA N6 2.950 2.450 3.450 3.047 2.803 3.469 0.019 4 0 "[ . ]" 2
3 1 2 DT N3 2 7 DA N1 2.820 2.320 3.320 2.941 2.839 3.047 . 0 0 "[ . ]" 2
4 1 2 DT O4 2 7 DA N6 2.950 2.450 3.450 2.887 2.801 3.041 . 0 0 "[ . ]" 2
5 1 3 DG N1 2 6 DC N3 2.950 2.450 3.450 2.885 2.835 2.917 . 0 0 "[ . ]" 2
6 1 3 DG O6 2 6 DC N4 2.910 2.410 3.410 2.996 2.916 3.050 . 0 0 "[ . ]" 2
7 1 3 DG N2 2 6 DC O2 2.860 2.360 3.360 2.650 2.618 2.670 . 0 0 "[ . ]" 2
8 1 4 DG N1 2 5 DC N3 2.950 2.450 3.450 2.802 2.790 2.815 . 0 0 "[ . ]" 2
9 1 4 DG O6 2 5 DC N4 2.910 2.410 3.410 2.802 2.765 2.848 . 0 0 "[ . ]" 2
10 1 4 DG N2 2 5 DC O2 2.860 2.360 3.360 2.751 2.737 2.763 . 0 0 "[ . ]" 2
11 1 5 DC N3 2 4 DG N1 2.950 2.450 3.450 2.807 2.776 2.869 . 0 0 "[ . ]" 2
12 1 5 DC N4 2 4 DG O6 2.910 2.410 3.410 2.835 2.761 2.914 . 0 0 "[ . ]" 2
13 1 5 DC O2 2 4 DG N2 2.860 2.360 3.360 2.734 2.696 2.791 . 0 0 "[ . ]" 2
14 1 6 DC N3 2 3 DG N1 2.950 2.450 3.450 2.901 2.838 2.932 . 0 0 "[ . ]" 2
15 1 6 DC N4 2 3 DG O6 2.910 2.410 3.410 2.990 2.923 3.109 . 0 0 "[ . ]" 2
16 1 6 DC O2 2 3 DG N2 2.860 2.360 3.360 2.653 2.623 2.721 . 0 0 "[ . ]" 2
17 1 7 DA N1 2 2 DT N3 2.820 2.320 3.320 2.985 2.865 3.120 . 0 0 "[ . ]" 2
18 1 7 DA N6 2 2 DT O4 2.950 2.450 3.450 2.811 2.737 2.872 . 0 0 "[ . ]" 2
19 1 8 DA N1 2 1 DT N3 2.820 2.320 3.320 2.829 2.808 2.847 . 0 0 "[ . ]" 2
20 1 8 DA N6 2 1 DT O4 2.950 2.450 3.450 2.953 2.823 3.077 . 0 0 "[ . ]" 2
stop_
save_
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