NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
645864 |
6qhi   |
34353 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6qhi
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 175
_Distance_constraint_stats_list.Viol_count 171
_Distance_constraint_stats_list.Viol_total 655.693
_Distance_constraint_stats_list.Viol_max 1.041
_Distance_constraint_stats_list.Viol_rms 0.1550
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0375
_Distance_constraint_stats_list.Viol_average_violations_only 0.3834
_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 7.986 0.809 3 10 [*-+*******]
1 2 DC 0.059 0.029 10 0 "[ . 1]"
1 3 DC 7.591 0.783 1 10 [+**-******]
1 4 DT 7.486 0.783 1 10 [+**-******]
1 5 DC 0.000 0.000 . 0 "[ . 1]"
1 6 DC 3.545 0.566 1 1 "[+ . 1]"
1 7 DT 9.569 0.778 6 10 [-****+****]
2 1 DA 0.828 0.108 6 0 "[ . 1]"
2 2 DG 0.000 0.000 . 0 "[ . 1]"
2 3 DG 0.571 0.571 6 1 "[ .+ 1]"
2 4 DA 0.066 0.029 8 0 "[ . 1]"
2 5 DG 1.021 0.100 10 0 "[ . 1]"
2 6 DG 0.623 0.100 10 0 "[ . 1]"
2 7 DA 0.000 0.000 . 0 "[ . 1]"
3 1 DT 0.000 0.000 . 0 "[ . 1]"
3 2 DG 0.000 0.000 . 0 "[ . 1]"
3 3 DG 13.634 1.041 5 10 [**-*+*****]
3 4 DT 22.101 1.041 5 10 [**-*+*****]
3 5 DG 0.293 0.068 5 0 "[ . 1]"
3 7 DG 9.335 0.803 7 9 [**-***+**1]
3 8 DT 14.999 0.812 10 10 [**-******+]
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 1 DT H1' . . 5.000 5.793 5.730 5.809 0.809 3 10 [*-+*******] 1
2 1 1 DT C7 1 1 DT H6 . . 4.000 2.627 2.596 2.640 . 0 0 "[ . 1]" 1
3 1 1 DT C7 1 2 DC H5 . . 6.000 4.492 4.006 5.468 . 0 0 "[ . 1]" 1
4 1 1 DT H1' 1 1 DT H2' . . 4.000 3.041 3.025 3.065 . 0 0 "[ . 1]" 1
5 1 1 DT H1' 1 1 DT H2'' . . 4.000 2.364 2.341 2.435 . 0 0 "[ . 1]" 1
6 1 1 DT H1' 1 1 DT H6 . . 5.000 3.707 3.681 3.725 . 0 0 "[ . 1]" 1
7 1 1 DT H1' 1 2 DC H5 . . 5.000 4.547 3.325 5.029 0.029 10 0 "[ . 1]" 1
8 1 1 DT H1' 1 2 DC H6 . . 4.000 3.414 2.597 3.873 . 0 0 "[ . 1]" 1
9 1 1 DT H2' 1 1 DT H6 . . 4.000 2.193 2.070 2.338 . 0 0 "[ . 1]" 1
10 1 1 DT H2'' 1 1 DT H6 . . 4.000 3.539 3.008 3.787 . 0 0 "[ . 1]" 1
11 1 1 DT H3 2 7 DA H2 . . 4.000 2.781 2.676 2.875 . 0 0 "[ . 1]" 1
12 1 2 DC H1' 1 2 DC H2' . . 4.000 3.053 3.040 3.059 . 0 0 "[ . 1]" 1
13 1 2 DC H1' 1 2 DC H2'' . . 4.000 2.379 2.321 2.408 . 0 0 "[ . 1]" 1
14 1 2 DC H1' 1 2 DC H6 . . 4.000 3.742 3.732 3.751 . 0 0 "[ . 1]" 1
15 1 2 DC H1' 1 3 DC H5 . . 6.000 4.712 4.360 5.011 . 0 0 "[ . 1]" 1
16 1 2 DC H1' 1 3 DC H6 . . 6.000 3.676 3.355 3.971 . 0 0 "[ . 1]" 1
17 1 2 DC H1' 2 6 DG H1 . . 5.000 4.889 4.797 4.974 . 0 0 "[ . 1]" 1
18 1 2 DC H2' 1 3 DC H5 . . 4.000 3.594 3.211 3.870 . 0 0 "[ . 1]" 1
19 1 2 DC H2'' 1 2 DC H6 . . 4.000 3.680 3.533 3.809 . 0 0 "[ . 1]" 1
20 1 2 DC H2'' 1 3 DC H5 . . 5.000 3.608 3.320 3.824 . 0 0 "[ . 1]" 1
21 1 2 DC H41 2 6 DG H1 . . 4.000 2.556 2.479 2.640 . 0 0 "[ . 1]" 1
22 1 2 DC H5 1 2 DC H6 . . 4.000 2.451 2.447 2.458 . 0 0 "[ . 1]" 1
23 1 2 DC H5 1 3 DC H5 . . 6.000 3.885 3.715 4.100 . 0 0 "[ . 1]" 1
24 1 3 DC H1' 1 3 DC H2'' . . 4.000 2.391 2.377 2.401 . 0 0 "[ . 1]" 1
25 1 3 DC H1' 1 3 DC H6 . . 4.000 3.734 3.725 3.741 . 0 0 "[ . 1]" 1
26 1 3 DC H1' 1 4 DT C7 . . 5.000 5.640 5.510 5.783 0.783 1 10 [+**-******] 1
27 1 3 DC H1' 1 4 DT H6 . . 6.000 3.931 3.816 4.022 . 0 0 "[ . 1]" 1
28 1 3 DC H2' 1 4 DT H6 . . 5.000 3.247 3.158 3.344 . 0 0 "[ . 1]" 1
29 1 3 DC H2'' 1 4 DT H6 . . 5.000 2.398 2.321 2.491 . 0 0 "[ . 1]" 1
30 1 3 DC H41 1 4 DT H3 . . 5.000 3.326 3.256 3.451 . 0 0 "[ . 1]" 1
31 1 3 DC H41 2 5 DG H1 . . 4.000 2.454 2.346 2.511 . 0 0 "[ . 1]" 1
32 1 3 DC H42 1 4 DT H3 . . 4.000 4.073 4.031 4.113 0.113 1 0 "[ . 1]" 1
33 1 3 DC H42 2 5 DG H1 . . 4.000 3.981 3.862 4.026 0.026 5 0 "[ . 1]" 1
34 1 3 DC H5 1 3 DC H6 . . 4.000 2.451 2.445 2.458 . 0 0 "[ . 1]" 1
35 1 3 DC H5 1 4 DT C7 . . 5.000 3.698 3.559 3.824 . 0 0 "[ . 1]" 1
36 1 3 DC H5 2 5 DG H1 . . 5.000 5.021 4.943 5.060 0.060 5 0 "[ . 1]" 1
37 1 3 DC H6 1 4 DT C7 . . 4.000 3.901 3.734 4.043 0.043 5 0 "[ . 1]" 1
38 1 4 DT C7 1 4 DT H3 . . 6.000 4.616 4.598 4.640 . 0 0 "[ . 1]" 1
39 1 4 DT C7 1 4 DT H6 . . 4.000 2.680 2.652 2.690 . 0 0 "[ . 1]" 1
40 1 4 DT C7 1 5 DC H5 . . 6.000 4.390 4.183 4.913 . 0 0 "[ . 1]" 1
41 1 4 DT H1' 1 4 DT H2' . . 4.000 3.004 2.981 3.016 . 0 0 "[ . 1]" 1
42 1 4 DT H1' 1 4 DT H6 . . 6.000 3.728 3.721 3.737 . 0 0 "[ . 1]" 1
43 1 4 DT H1' 1 5 DC H6 . . 6.000 4.143 4.076 4.198 . 0 0 "[ . 1]" 1
44 1 4 DT H2' 1 4 DT H6 . . 6.000 2.715 2.630 2.782 . 0 0 "[ . 1]" 1
45 1 4 DT H2' 1 5 DC H5 . . 6.000 3.059 2.755 3.421 . 0 0 "[ . 1]" 1
46 1 4 DT H2' 1 5 DC H6 . . 6.000 2.721 2.525 3.121 . 0 0 "[ . 1]" 1
47 1 4 DT H2'' 1 4 DT H6 . . 6.000 4.095 4.036 4.144 . 0 0 "[ . 1]" 1
48 1 4 DT H3 2 4 DA H2 . . 4.000 2.765 2.644 2.952 . 0 0 "[ . 1]" 1
49 1 4 DT H3 2 4 DA H62 . . 5.000 3.835 3.734 3.902 . 0 0 "[ . 1]" 1
50 1 4 DT H3 2 5 DG H1 . . 4.000 3.422 3.337 3.492 . 0 0 "[ . 1]" 1
51 1 4 DT H3 3 5 DG H22 . . 5.000 5.007 4.903 5.068 0.068 5 0 "[ . 1]" 1
52 1 4 DT H6 1 5 DC H5 . . 6.000 4.042 3.939 4.213 . 0 0 "[ . 1]" 1
53 1 5 DC H1' 1 5 DC H2'' . . 4.000 2.316 2.253 2.376 . 0 0 "[ . 1]" 1
54 1 5 DC H41 2 3 DG H1 . . 5.000 2.612 2.574 2.645 . 0 0 "[ . 1]" 1
55 1 5 DC H5 1 5 DC H6 . . 4.000 2.458 2.456 2.460 . 0 0 "[ . 1]" 1
56 1 6 DC H1' 1 6 DC H2' . . 4.000 3.065 3.053 3.077 . 0 0 "[ . 1]" 1
57 1 6 DC H1' 1 6 DC H2'' . . 4.000 2.460 2.429 2.479 . 0 0 "[ . 1]" 1
58 1 6 DC H1' 1 6 DC H6 . . 5.000 3.664 3.604 3.716 . 0 0 "[ . 1]" 1
59 1 6 DC H1' 1 7 DT C7 . . 4.000 4.068 3.804 4.566 0.566 1 1 "[+ . 1]" 1
60 1 6 DC H1' 1 7 DT H6 . . 4.000 2.586 2.380 2.772 . 0 0 "[ . 1]" 1
61 1 6 DC H2' 1 6 DC H5 . . 6.000 4.571 4.492 4.632 . 0 0 "[ . 1]" 1
62 1 6 DC H2' 1 6 DC H6 . . 4.000 2.129 2.071 2.189 . 0 0 "[ . 1]" 1
63 1 6 DC H2'' 1 6 DC H6 . . 6.000 2.857 2.652 3.050 . 0 0 "[ . 1]" 1
64 1 6 DC H41 2 2 DG H1 . . 5.000 2.687 2.583 2.784 . 0 0 "[ . 1]" 1
65 1 6 DC H42 2 2 DG H1 . . 5.000 4.228 4.119 4.314 . 0 0 "[ . 1]" 1
66 1 6 DC H5 1 6 DC H6 . . 4.000 2.454 2.430 2.499 . 0 0 "[ . 1]" 1
67 1 6 DC H5 1 7 DT C7 . . 5.000 4.545 4.196 4.773 . 0 0 "[ . 1]" 1
68 1 6 DC H5 3 7 DG H22 . . 5.000 5.151 5.061 5.304 0.304 5 0 "[ . 1]" 1
69 1 6 DC H6 1 7 DT C7 . . 4.000 4.067 3.957 4.254 0.254 1 0 "[ . 1]" 1
70 1 7 DT C7 1 7 DT H1' . . 5.000 5.754 5.730 5.778 0.778 6 10 [****-+****] 1
71 1 7 DT C7 1 7 DT H6 . . 4.000 2.662 2.645 2.673 . 0 0 "[ . 1]" 1
72 1 7 DT H1' 1 7 DT H2' . . 4.000 3.045 3.036 3.050 . 0 0 "[ . 1]" 1
73 1 7 DT H1' 1 7 DT H2'' . . 4.000 2.410 2.384 2.425 . 0 0 "[ . 1]" 1
74 1 7 DT H1' 1 7 DT H6 . . 4.000 3.667 3.629 3.686 . 0 0 "[ . 1]" 1
75 2 1 DA H1' 2 1 DA H2' . . 4.000 3.010 2.963 3.035 . 0 0 "[ . 1]" 1
76 2 1 DA H1' 2 1 DA H2'' . . 4.000 2.313 2.256 2.345 . 0 0 "[ . 1]" 1
77 2 1 DA H1' 2 1 DA H8 . . 6.000 3.897 3.774 3.924 . 0 0 "[ . 1]" 1
78 2 1 DA H1' 2 2 DG H8 . . 4.000 3.414 2.704 3.643 . 0 0 "[ . 1]" 1
79 2 1 DA H2' 2 1 DA H8 . . 4.000 2.273 2.140 2.490 . 0 0 "[ . 1]" 1
80 2 1 DA H2' 2 2 DG H8 . . 5.000 3.370 3.226 3.745 . 0 0 "[ . 1]" 1
81 2 1 DA H2' 3 7 DG H1 . . 5.000 4.601 4.391 4.777 . 0 0 "[ . 1]" 1
82 2 1 DA H2'' 2 1 DA H8 . . 5.000 3.757 3.515 3.967 . 0 0 "[ . 1]" 1
83 2 1 DA H2'' 2 2 DG H8 . . 6.000 2.467 2.351 2.667 . 0 0 "[ . 1]" 1
84 2 1 DA H2'' 3 7 DG H1 . . 6.000 4.978 4.900 5.053 . 0 0 "[ . 1]" 1
85 2 1 DA H61 3 7 DG H22 . . 4.000 4.083 4.060 4.108 0.108 6 0 "[ . 1]" 1
86 2 1 DA H62 3 7 DG H22 . . 4.000 3.370 3.232 3.677 . 0 0 "[ . 1]" 1
87 2 1 DA H8 2 2 DG H8 . . 6.000 4.435 4.190 4.675 . 0 0 "[ . 1]" 1
88 2 1 DA H8 3 8 DT H3 . . 4.000 2.858 2.792 2.917 . 0 0 "[ . 1]" 1
89 2 2 DG H8 3 7 DG H1 . . 4.000 3.430 3.230 3.561 . 0 0 "[ . 1]" 1
90 2 3 DG H1 2 3 DG H21 . . 5.000 2.202 2.191 2.216 . 0 0 "[ . 1]" 1
91 2 3 DG H1 2 3 DG H22 . . 5.000 3.462 3.456 3.471 . 0 0 "[ . 1]" 1
92 2 3 DG H1' 2 3 DG H8 . . 6.000 3.811 3.712 3.859 . 0 0 "[ . 1]" 1
93 2 3 DG H1' 2 4 DA H8 . . 6.000 3.356 3.099 3.632 . 0 0 "[ . 1]" 1
94 2 3 DG H2' 2 3 DG H8 . . 6.000 2.439 2.348 2.580 . 0 0 "[ . 1]" 1
95 2 3 DG H2'' 2 3 DG H8 . . 6.000 3.003 2.705 3.126 . 0 0 "[ . 1]" 1
96 2 3 DG H2'' 2 4 DA H8 . . 4.000 3.191 2.811 3.577 . 0 0 "[ . 1]" 1
97 2 3 DG H2'' 3 4 DT H3 . . 6.000 4.704 4.241 5.279 . 0 0 "[ . 1]" 1
98 2 3 DG H8 2 4 DA H8 . . 6.000 4.800 4.552 5.264 . 0 0 "[ . 1]" 1
99 2 3 DG H8 3 4 DT C7 . . 6.000 5.839 5.541 6.571 0.571 6 1 "[ .+ 1]" 1
100 2 3 DG H8 3 5 DG H1 . . 4.000 3.401 3.165 3.603 . 0 0 "[ . 1]" 1
101 2 4 DA H1' 2 4 DA H2' . . 5.000 2.995 2.965 3.024 . 0 0 "[ . 1]" 1
102 2 4 DA H1' 2 4 DA H2'' . . 4.000 2.286 2.262 2.334 . 0 0 "[ . 1]" 1
103 2 4 DA H1' 2 5 DG H8 . . 6.000 4.355 4.189 4.536 . 0 0 "[ . 1]" 1
104 2 4 DA H2' 2 4 DA H8 . . 6.000 3.241 3.093 3.457 . 0 0 "[ . 1]" 1
105 2 4 DA H2' 2 5 DG H8 . . 6.000 2.478 2.222 2.939 . 0 0 "[ . 1]" 1
106 2 4 DA H2' 3 3 DG H1 . . 5.000 3.903 3.642 4.334 . 0 0 "[ . 1]" 1
107 2 4 DA H2'' 3 3 DG H1 . . 5.000 4.866 4.708 5.029 0.029 8 0 "[ . 1]" 1
108 2 4 DA H61 3 5 DG H22 . . 4.000 3.519 3.426 3.579 . 0 0 "[ . 1]" 1
109 2 4 DA H62 3 4 DT H3 . . 4.000 2.920 2.847 2.980 . 0 0 "[ . 1]" 1
110 2 4 DA H62 3 5 DG H22 . . 4.000 3.793 3.692 3.921 . 0 0 "[ . 1]" 1
111 2 4 DA H8 3 4 DT H3 . . 4.000 2.971 2.887 3.165 . 0 0 "[ . 1]" 1
112 2 5 DG H1 2 6 DG H1' . . 5.000 5.049 4.867 5.100 0.100 10 0 "[ . 1]" 1
113 2 5 DG H1' 2 5 DG H2'' . . 4.000 2.395 2.380 2.414 . 0 0 "[ . 1]" 1
114 2 5 DG H1' 2 5 DG H8 . . 6.000 3.927 3.909 3.953 . 0 0 "[ . 1]" 1
115 2 5 DG H2' 2 6 DG H8 . . 6.000 3.679 3.436 3.890 . 0 0 "[ . 1]" 1
116 2 5 DG H2' 3 2 DG H1 . . 6.000 4.486 4.186 4.723 . 0 0 "[ . 1]" 1
117 2 5 DG H2'' 2 6 DG H8 . . 6.000 2.512 2.357 2.741 . 0 0 "[ . 1]" 1
118 2 5 DG H8 3 3 DG H1 . . 4.000 3.221 3.115 3.486 . 0 0 "[ . 1]" 1
119 2 6 DG H1' 2 6 DG H2' . . 4.000 3.046 3.037 3.054 . 0 0 "[ . 1]" 1
120 2 6 DG H1' 2 6 DG H2'' . . 4.000 2.388 2.363 2.412 . 0 0 "[ . 1]" 1
121 2 6 DG H1' 2 7 DA H8 . . 6.000 3.961 3.782 4.162 . 0 0 "[ . 1]" 1
122 2 6 DG H2' 2 6 DG H8 . . 5.000 2.659 2.502 2.755 . 0 0 "[ . 1]" 1
123 2 6 DG H2'' 2 6 DG H8 . . 6.000 4.030 3.840 4.106 . 0 0 "[ . 1]" 1
124 2 6 DG H2'' 3 1 DT H3 . . 5.000 4.501 4.287 4.613 . 0 0 "[ . 1]" 1
125 2 6 DG H8 2 7 DA H8 . . 6.000 4.516 4.378 4.628 . 0 0 "[ . 1]" 1
126 2 6 DG H8 3 1 DT C7 . . 6.000 4.699 4.429 5.154 . 0 0 "[ . 1]" 1
127 2 6 DG H8 3 1 DT H3 . . 5.000 3.612 3.484 3.745 . 0 0 "[ . 1]" 1
128 2 6 DG H8 3 2 DG H1 . . 4.000 2.902 2.637 3.179 . 0 0 "[ . 1]" 1
129 2 7 DA H1' 2 7 DA H2' . . 4.000 3.052 3.043 3.058 . 0 0 "[ . 1]" 1
130 2 7 DA H1' 2 7 DA H2'' . . 4.000 2.404 2.369 2.429 . 0 0 "[ . 1]" 1
131 2 7 DA H1' 2 7 DA H8 . . 5.000 3.924 3.916 3.930 . 0 0 "[ . 1]" 1
132 2 7 DA H2' 2 7 DA H8 . . 4.000 2.499 2.386 2.640 . 0 0 "[ . 1]" 1
133 2 7 DA H61 3 1 DT H3 . . 5.000 4.604 4.451 4.771 . 0 0 "[ . 1]" 1
134 2 7 DA H62 3 1 DT H3 . . 5.000 2.913 2.793 3.051 . 0 0 "[ . 1]" 1
135 2 7 DA H8 3 1 DT H3 . . 4.000 2.970 2.884 3.046 . 0 0 "[ . 1]" 1
136 3 1 DT C7 3 1 DT H3 . . 6.000 4.619 4.608 4.627 . 0 0 "[ . 1]" 1
137 3 1 DT C7 3 1 DT H6 . . 4.000 2.669 2.652 2.687 . 0 0 "[ . 1]" 1
138 3 1 DT H1' 3 1 DT H2' . . 4.000 2.942 2.722 3.037 . 0 0 "[ . 1]" 1
139 3 1 DT H1' 3 1 DT H2'' . . 4.000 2.329 2.243 2.389 . 0 0 "[ . 1]" 1
140 3 1 DT H1' 3 1 DT H6 . . 5.000 3.701 3.618 3.735 . 0 0 "[ . 1]" 1
141 3 1 DT H2' 3 1 DT H6 . . 4.000 2.476 2.182 2.850 . 0 0 "[ . 1]" 1
142 3 1 DT H2' 3 2 DG H8 . . 6.000 3.913 3.517 4.452 . 0 0 "[ . 1]" 1
143 3 1 DT H6 3 2 DG H8 . . 6.000 5.147 4.780 5.447 . 0 0 "[ . 1]" 1
144 3 3 DG H1' 3 3 DG H2'' . . 4.000 2.303 2.266 2.322 . 0 0 "[ . 1]" 1
145 3 3 DG H1' 3 3 DG H8 . . 6.000 3.909 3.896 3.926 . 0 0 "[ . 1]" 1
146 3 3 DG H1' 3 4 DT C7 . . 4.000 4.649 4.542 4.851 0.851 5 10 [**-*+*****] 1
147 3 3 DG H1' 3 4 DT H3 . . 5.000 5.052 5.025 5.089 0.089 8 0 "[ . 1]" 1
148 3 3 DG H1' 3 4 DT H6 . . 6.000 3.977 3.807 4.204 . 0 0 "[ . 1]" 1
149 3 3 DG H2' 3 3 DG H8 . . 5.000 2.317 2.260 2.377 . 0 0 "[ . 1]" 1
150 3 3 DG H8 3 4 DT C7 . . 4.000 4.656 4.382 5.041 1.041 5 8 "[*** +-***1]" 1
151 3 4 DT C7 3 4 DT H1' . . 5.000 5.796 5.768 5.811 0.811 7 10 [****-*+***] 1
152 3 4 DT C7 3 4 DT H3 . . 5.000 4.609 4.597 4.627 . 0 0 "[ . 1]" 1
153 3 4 DT C7 3 4 DT H6 . . 4.000 2.641 2.600 2.656 . 0 0 "[ . 1]" 1
154 3 4 DT H1' 3 4 DT H2' . . 4.000 2.813 2.764 2.883 . 0 0 "[ . 1]" 1
155 3 4 DT H1' 3 4 DT H2'' . . 3.000 2.254 2.225 2.276 . 0 0 "[ . 1]" 1
156 3 4 DT H1' 3 4 DT H6 . . 6.000 3.722 3.705 3.749 . 0 0 "[ . 1]" 1
157 3 4 DT H2' 3 4 DT H6 . . 5.000 2.529 2.268 2.747 . 0 0 "[ . 1]" 1
158 3 4 DT H2'' 3 4 DT H6 . . 5.000 3.897 3.787 3.991 . 0 0 "[ . 1]" 1
159 3 4 DT H3 3 5 DG H1 . . 6.000 3.459 3.353 3.671 . 0 0 "[ . 1]" 1
160 3 5 DG H1' 3 5 DG H2' . . 4.000 2.728 2.718 2.736 . 0 0 "[ . 1]" 1
161 3 5 DG H1' 3 5 DG H2'' . . 4.000 2.381 2.365 2.395 . 0 0 "[ . 1]" 1
162 3 5 DG H1' 3 5 DG H8 . . 6.000 3.908 3.871 3.953 . 0 0 "[ . 1]" 1
163 3 7 DG H1' 3 7 DG H2' . . 4.000 2.772 2.712 2.977 . 0 0 "[ . 1]" 1
164 3 7 DG H1' 3 7 DG H8 . . 4.000 3.843 3.772 3.916 . 0 0 "[ . 1]" 1
165 3 7 DG H1' 3 8 DT C7 . . 5.000 5.700 5.398 5.803 0.803 7 9 [**-***+**1] 1
166 3 7 DG H1' 3 8 DT H6 . . 6.000 5.101 4.480 5.331 . 0 0 "[ . 1]" 1
167 3 7 DG H2' 3 7 DG H8 . . 5.000 3.747 2.861 4.066 . 0 0 "[ . 1]" 1
168 3 7 DG H2' 3 8 DT H6 . . 4.000 2.494 2.290 2.638 . 0 0 "[ . 1]" 1
169 3 7 DG H8 3 8 DT C7 . . 5.000 4.042 3.902 4.334 . 0 0 "[ . 1]" 1
170 3 7 DG H8 3 8 DT H6 . . 6.000 5.351 5.148 5.615 . 0 0 "[ . 1]" 1
171 3 8 DT C7 3 8 DT H1' . . 5.000 5.800 5.783 5.812 0.812 10 10 [******-**+] 1
172 3 8 DT C7 3 8 DT H6 . . 4.000 2.634 2.618 2.646 . 0 0 "[ . 1]" 1
173 3 8 DT H1' 3 8 DT H2' . . 4.000 2.955 2.817 3.026 . 0 0 "[ . 1]" 1
174 3 8 DT H1' 3 8 DT H2'' . . 4.000 2.278 2.247 2.324 . 0 0 "[ . 1]" 1
175 3 8 DT H1' 3 8 DT H6 . . 5.000 3.720 3.704 3.736 . 0 0 "[ . 1]" 1
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