NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
576990 |
2mb4   |
19389 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mb4
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 542
_Distance_constraint_stats_list.Viol_count 756
_Distance_constraint_stats_list.Viol_total 228.488
_Distance_constraint_stats_list.Viol_max 0.582
_Distance_constraint_stats_list.Viol_rms 0.0204
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0042
_Distance_constraint_stats_list.Viol_average_violations_only 0.0302
_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
2 1 DA 2.233 0.062 10 0 "[ . 1]"
2 2 DG 3.940 0.088 10 0 "[ . 1]"
2 3 DG 4.442 0.182 6 0 "[ . 1]"
2 4 DG 1.573 0.175 6 0 "[ . 1]"
2 5 DG 2.621 0.561 2 1 "[ + . 1]"
2 6 DG 0.448 0.033 5 0 "[ . 1]"
2 7 DG 1.106 0.062 7 0 "[ . 1]"
2 8 DA 0.618 0.062 7 0 "[ . 1]"
2 9 DG 0.623 0.112 4 0 "[ . 1]"
2 10 DG 1.485 0.077 1 0 "[ . 1]"
2 11 DG 1.207 0.055 6 0 "[ . 1]"
2 12 DA 0.600 0.063 7 0 "[ . 1]"
2 13 DG 0.929 0.093 6 0 "[ . 1]"
2 14 DG 1.143 0.051 5 0 "[ . 1]"
2 15 DG 3.107 0.582 5 1 "[ + 1]"
2 16 DT 3.099 0.582 5 1 "[ + 1]"
2 17 DG 0.915 0.066 7 0 "[ . 1]"
2 18 DG 1.320 0.076 1 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 2 11 DG H1 2 14 DG H1 4.000 2.800 5.200 4.471 4.226 4.821 . 0 0 "[ . 1]" 1
2 2 10 DG H1 2 11 DG H1 4.000 2.800 5.200 3.661 3.450 3.909 . 0 0 "[ . 1]" 1
3 2 6 DG H1 2 7 DG H1 4.000 2.800 5.200 3.970 3.579 4.521 . 0 0 "[ . 1]" 1
4 2 7 DG H1 2 11 DG H1 4.800 3.600 6.000 4.401 4.310 4.491 . 0 0 "[ . 1]" 1
5 2 5 DG H1 2 6 DG H1 4.000 2.800 5.200 3.695 3.305 4.010 . 0 0 "[ . 1]" 1
6 2 17 DG H1 2 18 DG H1 4.650 . 7.500 3.664 3.507 3.970 . 0 0 "[ . 1]" 1
7 2 9 DG H1 2 10 DG H1 4.000 2.800 5.200 3.595 3.395 3.892 . 0 0 "[ . 1]" 1
8 2 14 DG H1 2 15 DG H1 4.000 2.800 5.200 4.192 3.906 4.434 . 0 0 "[ . 1]" 1
9 2 14 DG H1 2 18 DG H1 4.800 3.600 6.000 4.383 4.286 4.478 . 0 0 "[ . 1]" 1
10 2 3 DG H1 2 7 DG H1 4.800 3.600 6.000 4.421 4.296 4.534 . 0 0 "[ . 1]" 1
11 2 7 DG H1 2 10 DG H1 4.800 3.600 6.000 4.840 4.552 5.383 . 0 0 "[ . 1]" 1
12 2 11 DG H1 2 15 DG H8 4.650 . 7.500 4.636 4.413 4.806 . 0 0 "[ . 1]" 1
13 2 2 DG H8 2 7 DG H1 4.650 . 7.500 6.309 5.934 6.979 . 0 0 "[ . 1]" 1
14 2 14 DG H1 2 15 DG H8 6.000 4.500 8.500 5.575 5.322 5.732 . 0 0 "[ . 1]" 1
15 2 2 DG H8 2 3 DG H1 4.000 2.800 5.200 5.036 4.837 5.172 . 0 0 "[ . 1]" 1
16 2 3 DG H8 2 18 DG H1 6.000 4.500 8.500 6.327 5.893 6.602 . 0 0 "[ . 1]" 1
17 2 3 DG H8 2 15 DG H1 4.800 3.600 6.000 5.200 5.049 5.324 . 0 0 "[ . 1]" 1
18 2 1 DA H2 2 11 DG H1 4.800 3.600 6.000 5.083 4.855 5.473 . 0 0 "[ . 1]" 1
19 2 1 DA H2 2 7 DG H1 6.000 4.500 8.500 8.459 8.113 8.521 0.021 2 0 "[ . 1]" 1
20 2 1 DA H8 2 3 DG H1 4.000 2.800 5.200 4.699 4.017 5.189 . 0 0 "[ . 1]" 1
21 2 7 DG H1 2 11 DG H8 4.000 2.800 5.200 5.010 4.714 5.185 . 0 0 "[ . 1]" 1
22 2 1 DA H8 2 11 DG H1 4.000 2.800 5.200 4.314 4.096 4.660 . 0 0 "[ . 1]" 1
23 2 11 DG H1 2 14 DG H8 4.000 2.800 5.200 5.174 5.069 5.206 0.006 6 0 "[ . 1]" 1
24 2 10 DG H1 2 14 DG H8 4.000 2.800 5.200 5.058 4.787 5.223 0.023 8 0 "[ . 1]" 1
25 2 7 DG H1 2 10 DG H8 4.800 3.600 6.000 5.689 5.319 5.911 . 0 0 "[ . 1]" 1
26 2 3 DG H1 2 7 DG H8 4.000 2.800 5.200 4.821 4.660 5.045 . 0 0 "[ . 1]" 1
27 2 6 DG H8 2 18 DG H1 4.000 2.800 5.200 5.068 4.808 5.220 0.020 8 0 "[ . 1]" 1
28 2 6 DG H1 2 10 DG H8 4.000 2.800 5.200 4.843 4.632 5.145 . 0 0 "[ . 1]" 1
29 2 14 DG H1 2 18 DG H8 4.000 2.800 5.200 4.725 4.387 5.108 . 0 0 "[ . 1]" 1
30 2 10 DG H1 2 13 DG H8 4.000 2.800 5.200 5.214 5.176 5.231 0.031 8 0 "[ . 1]" 1
31 2 15 DG H1 2 18 DG H8 4.650 . 7.500 5.354 5.256 5.614 . 0 0 "[ . 1]" 1
32 2 6 DG H1 2 9 DG H8 4.000 2.800 5.200 5.204 5.138 5.221 0.021 7 0 "[ . 1]" 1
33 2 5 DG H8 2 18 DG H1 4.650 . 7.500 5.458 5.040 5.702 . 0 0 "[ . 1]" 1
34 2 5 DG H8 2 17 DG H1 4.000 2.800 5.200 4.857 4.556 5.121 . 0 0 "[ . 1]" 1
35 2 5 DG H1 2 9 DG H8 4.800 3.600 6.000 4.992 4.527 5.249 . 0 0 "[ . 1]" 1
36 2 5 DG H1 2 10 DG H8 6.000 4.500 8.500 7.360 6.998 7.830 . 0 0 "[ . 1]" 1
37 2 13 DG H1 2 17 DG H8 4.650 . 7.500 5.102 4.928 5.226 . 0 0 "[ . 1]" 1
38 2 9 DG H1 2 13 DG H8 4.000 2.800 5.200 4.874 4.579 5.133 . 0 0 "[ . 1]" 1
39 2 1 DA H1' 2 11 DG H1 4.800 3.600 6.000 4.871 4.575 5.056 . 0 0 "[ . 1]" 1
40 2 1 DA H1' 2 7 DG H1 6.000 4.500 8.500 5.223 4.933 5.677 . 0 0 "[ . 1]" 1
41 2 11 DG H1 2 14 DG H1' 6.000 4.500 8.500 6.438 5.991 6.647 . 0 0 "[ . 1]" 1
42 2 11 DG H1 2 11 DG H1' 6.000 4.500 8.500 5.871 5.844 5.893 . 0 0 "[ . 1]" 1
43 2 14 DG H1 2 15 DG H1' 6.000 4.500 8.500 6.138 5.602 6.578 . 0 0 "[ . 1]" 1
44 2 7 DG H1 2 7 DG H1' 6.000 4.500 8.500 5.872 5.836 5.899 . 0 0 "[ . 1]" 1
45 2 14 DG H1 2 17 DG H1' 6.000 4.500 8.500 6.569 6.112 6.917 . 0 0 "[ . 1]" 1
46 2 7 DG H1 2 10 DG H1' 6.000 4.500 8.500 7.003 6.460 7.500 . 0 0 "[ . 1]" 1
47 2 13 DG H1 2 14 DG H1' 6.000 4.500 8.500 6.359 6.081 6.677 . 0 0 "[ . 1]" 1
48 2 11 DG H1 2 14 DG H3' 6.000 4.500 8.500 8.279 8.067 8.363 . 0 0 "[ . 1]" 1
49 2 7 DG H1 2 10 DG H3' 6.000 4.500 8.500 8.121 7.414 8.366 . 0 0 "[ . 1]" 1
50 2 14 DG H1 2 17 DG H3' 6.000 4.500 8.500 8.060 7.583 8.379 . 0 0 "[ . 1]" 1
51 2 6 DG H1 2 9 DG H3' 6.000 4.500 8.500 7.751 7.062 8.189 . 0 0 "[ . 1]" 1
52 2 11 DG H1 2 14 DG H2'' 5.500 3.500 7.500 6.170 5.817 6.425 . 0 0 "[ . 1]" 1
53 2 1 DA H4' 2 11 DG H1 4.650 . 7.500 6.107 5.709 6.364 . 0 0 "[ . 1]" 1
54 2 1 DA H5' 2 11 DG H1 4.800 4.500 6.000 5.734 5.359 6.031 0.031 7 0 "[ . 1]" 1
55 2 1 DA H2'' 2 7 DG H1 6.000 4.500 8.500 6.838 6.442 7.282 . 0 0 "[ . 1]" 1
56 2 7 DG H1 2 11 DG H2' 6.000 4.500 8.500 6.989 6.759 7.218 . 0 0 "[ . 1]" 1
57 2 7 DG H1 2 10 DG H2' 4.800 3.600 6.000 5.953 5.567 6.018 0.018 9 0 "[ . 1]" 1
58 2 14 DG H1 2 17 DG H2' 4.800 3.600 6.000 5.713 5.246 6.015 0.015 4 0 "[ . 1]" 1
59 2 5 DG H2' 2 18 DG H1 6.000 4.500 8.500 5.619 5.180 5.943 . 0 0 "[ . 1]" 1
60 2 3 DG H2' 2 18 DG H1 5.500 3.500 7.500 6.403 5.773 6.868 . 0 0 "[ . 1]" 1
61 2 6 DG H1 2 9 DG H2' 4.800 3.600 6.000 5.475 4.945 5.861 . 0 0 "[ . 1]" 1
62 2 1 DA H8 2 7 DG H1 4.650 . 7.500 3.249 2.866 3.581 . 0 0 "[ . 1]" 1
63 2 1 DA H2 2 15 DG H1 6.000 4.500 8.500 6.979 6.600 7.308 . 0 0 "[ . 1]" 1
64 2 2 DG H1' 2 3 DG H1 4.000 2.800 5.200 3.800 3.207 4.310 . 0 0 "[ . 1]" 1
65 2 1 DA H1' 2 15 DG H1 4.000 2.800 5.200 3.271 3.144 3.457 . 0 0 "[ . 1]" 1
66 2 2 DG H3' 2 3 DG H1 6.000 4.500 8.500 6.405 5.828 6.722 . 0 0 "[ . 1]" 1
67 2 1 DA H2' 2 15 DG H1 4.800 3.600 6.000 5.605 5.416 5.833 . 0 0 "[ . 1]" 1
68 2 1 DA H2'' 2 3 DG H1 6.000 4.500 8.500 6.385 5.857 6.691 . 0 0 "[ . 1]" 1
69 2 1 DA H4' 2 15 DG H1 4.000 2.800 5.200 3.154 3.095 3.330 . 0 0 "[ . 1]" 1
70 2 2 DG H4' 2 3 DG H1 4.000 2.800 5.200 4.241 3.665 4.524 . 0 0 "[ . 1]" 1
71 2 2 DG H5'' 2 3 DG H1 6.000 4.500 8.500 5.878 5.759 5.976 . 0 0 "[ . 1]" 1
72 2 2 DG H5' 2 3 DG H1 6.000 4.500 8.500 4.539 4.463 4.737 0.037 4 0 "[ . 1]" 1
73 2 1 DA H5' 2 15 DG H1 4.800 3.600 6.000 4.437 4.249 5.691 . 0 0 "[ . 1]" 1
74 2 1 DA H5'' 2 15 DG H1 4.000 2.800 5.200 5.192 4.756 5.261 0.061 3 0 "[ . 1]" 1
75 2 13 DG H1 2 14 DG H1 4.000 2.800 5.200 3.412 3.301 3.609 . 0 0 "[ . 1]" 1
76 2 11 DG H1 2 15 DG H1 4.000 2.800 5.200 4.424 4.380 4.471 . 0 0 "[ . 1]" 1
77 2 5 DG H1 2 6 DG H1' 6.000 4.500 8.500 6.373 6.041 6.859 . 0 0 "[ . 1]" 1
78 2 15 DG H1 2 18 DG H1' 6.000 4.500 8.500 6.139 5.863 6.349 . 0 0 "[ . 1]" 1
79 2 10 DG H1 2 13 DG H1' 6.000 4.500 8.500 6.593 6.216 6.710 . 0 0 "[ . 1]" 1
80 2 10 DG H1 2 11 DG H1' 6.000 4.500 8.500 6.030 5.697 6.397 . 0 0 "[ . 1]" 1
81 2 5 DG H1' 2 18 DG H1 6.000 4.500 8.500 6.628 6.231 6.993 . 0 0 "[ . 1]" 1
82 2 15 DG H1 2 15 DG H1' 6.000 4.500 8.500 5.881 5.826 5.922 . 0 0 "[ . 1]" 1
83 2 18 DG H1 2 18 DG H1' 4.800 3.600 6.000 5.869 5.855 5.882 . 0 0 "[ . 1]" 1
84 2 3 DG H1' 2 18 DG H1 4.650 . 7.500 7.030 6.611 7.371 . 0 0 "[ . 1]" 1
85 2 6 DG H1 2 6 DG H1' 6.000 4.500 8.500 5.879 5.861 5.946 . 0 0 "[ . 1]" 1
86 2 6 DG H1 2 9 DG H1' 6.000 4.500 8.500 6.506 6.231 6.708 . 0 0 "[ . 1]" 1
87 2 14 DG H1 2 14 DG H1' 6.000 4.500 8.500 5.846 5.829 5.860 . 0 0 "[ . 1]" 1
88 2 9 DG H1 2 10 DG H1' 6.000 4.500 8.500 6.071 5.420 6.947 . 0 0 "[ . 1]" 1
89 2 17 DG H1 2 18 DG H1' 6.000 4.500 8.500 6.203 5.592 6.555 . 0 0 "[ . 1]" 1
90 2 5 DG H3' 2 18 DG H1 6.000 4.500 8.500 7.958 7.492 8.295 . 0 0 "[ . 1]" 1
91 2 3 DG H1 2 6 DG H3' 6.000 4.500 8.500 7.982 7.294 8.291 . 0 0 "[ . 1]" 1
92 2 11 DG H1 2 14 DG H2' 4.800 3.600 6.000 5.988 5.828 6.044 0.044 5 0 "[ . 1]" 1
93 2 14 DG H1 2 18 DG H2' 6.000 4.500 8.500 6.763 6.422 7.154 . 0 0 "[ . 1]" 1
94 2 15 DG H1 2 18 DG H2'' 4.800 3.600 6.000 5.904 5.636 6.014 0.014 5 0 "[ . 1]" 1
95 2 15 DG H1 2 18 DG H2' 5.500 3.500 7.500 6.095 5.853 6.272 . 0 0 "[ . 1]" 1
96 2 3 DG H1 2 6 DG H2'' 4.800 3.600 6.000 5.944 5.785 6.019 0.019 3 0 "[ . 1]" 1
97 2 3 DG H1 2 6 DG H2' 4.800 3.600 6.000 5.697 5.100 5.963 . 0 0 "[ . 1]" 1
98 2 2 DG H2'' 2 3 DG H1 6.000 4.500 8.500 6.055 5.494 6.523 . 0 0 "[ . 1]" 1
99 2 10 DG H1 2 13 DG H2' 4.800 3.600 6.000 5.516 5.024 5.920 . 0 0 "[ . 1]" 1
100 2 10 DG H1 2 13 DG H2'' 4.800 3.600 6.000 5.964 5.612 6.018 0.018 5 0 "[ . 1]" 1
101 2 5 DG H2'' 2 18 DG H1 6.000 4.500 8.500 5.940 5.295 6.331 . 0 0 "[ . 1]" 1
102 2 3 DG H2'' 2 18 DG H1 5.500 3.500 7.500 6.550 5.828 7.027 . 0 0 "[ . 1]" 1
103 2 6 DG H1 2 9 DG H2'' 4.800 3.600 6.000 5.800 5.384 6.029 0.029 5 0 "[ . 1]" 1
104 2 1 DA H2'' 2 15 DG H1 4.800 3.600 6.000 5.462 5.319 5.614 . 0 0 "[ . 1]" 1
105 2 2 DG H5' 2 15 DG H1 4.800 3.600 6.000 4.383 4.295 4.526 . 0 0 "[ . 1]" 1
106 2 2 DG H5'' 2 15 DG H1 4.800 3.600 6.000 6.033 6.010 6.051 0.051 5 0 "[ . 1]" 1
107 2 2 DG H8 2 15 DG H1 5.500 3.500 7.500 5.786 5.556 6.203 . 0 0 "[ . 1]" 1
108 2 5 DG H1 2 5 DG H8 5.500 4.000 7.000 6.404 6.397 6.409 . 0 0 "[ . 1]" 1
109 2 1 DA H1' 2 1 DA H2' 3.260 2.610 3.910 3.031 3.026 3.036 . 0 0 "[ . 1]" 1
110 2 1 DA H1' 2 1 DA H2'' 2.980 2.380 3.580 2.364 2.355 2.381 0.025 3 0 "[ . 1]" 1
111 2 1 DA H2' 2 1 DA H3' 3.030 2.420 3.640 2.376 2.372 2.379 0.048 3 0 "[ . 1]" 1
112 2 1 DA H2'' 2 1 DA H3' 3.060 2.450 3.670 2.807 2.752 2.843 . 0 0 "[ . 1]" 1
113 2 1 DA H3' 2 1 DA H4' 3.440 2.750 4.130 2.800 2.768 2.820 . 0 0 "[ . 1]" 1
114 2 1 DA H1' 2 1 DA H2 5.500 3.800 7.200 6.071 6.050 6.086 . 0 0 "[ . 1]" 1
115 2 1 DA H4' 2 1 DA H8 6.000 4.200 7.800 5.666 5.558 5.794 . 0 0 "[ . 1]" 1
116 2 1 DA H5' 2 1 DA H8 5.500 3.800 7.200 6.532 6.201 6.620 . 0 0 "[ . 1]" 1
117 2 1 DA H5'' 2 1 DA H8 5.500 3.800 7.200 7.143 6.689 7.210 0.010 3 0 "[ . 1]" 1
118 2 1 DA H2 2 1 DA H5' 5.500 3.800 7.200 4.282 3.772 4.634 0.028 7 0 "[ . 1]" 1
119 2 1 DA H2 2 1 DA H5'' 5.500 3.800 7.200 5.214 4.462 5.553 . 0 0 "[ . 1]" 1
120 2 1 DA H3' 2 1 DA H5' 3.340 2.340 4.340 3.564 2.677 3.669 . 0 0 "[ . 1]" 1
121 2 1 DA H3' 2 1 DA H5'' 3.610 2.530 4.690 2.669 2.538 3.648 . 0 0 "[ . 1]" 1
122 2 1 DA H2' 2 1 DA H4' 4.510 3.160 5.860 3.838 3.828 3.847 . 0 0 "[ . 1]" 1
123 2 1 DA H2'' 2 1 DA H4' 4.330 3.030 5.630 4.031 4.006 4.050 . 0 0 "[ . 1]" 1
124 2 1 DA H1' 2 1 DA H5' 5.500 3.800 7.200 4.611 4.419 4.653 . 0 0 "[ . 1]" 1
125 2 1 DA H1' 2 1 DA H5'' 5.500 3.800 7.200 4.925 4.629 5.008 . 0 0 "[ . 1]" 1
126 2 1 DA H1' 2 1 DA H4' 3.840 2.690 4.990 3.152 3.054 3.291 . 0 0 "[ . 1]" 1
127 2 1 DA H4' 2 1 DA H5' 2.700 . 3.600 2.543 2.477 3.043 . 0 0 "[ . 1]" 1
128 2 1 DA H4' 2 1 DA H5'' 2.700 . 3.600 2.423 2.405 2.448 . 0 0 "[ . 1]" 1
129 2 1 DA H2' 2 1 DA H5'' 4.500 . 7.200 4.016 3.917 4.221 . 0 0 "[ . 1]" 1
130 2 1 DA H2' 2 1 DA H5' 4.500 . 7.200 4.044 2.886 4.206 . 0 0 "[ . 1]" 1
131 2 1 DA H2'' 2 1 DA H5' 4.500 . 7.200 5.176 4.324 5.299 . 0 0 "[ . 1]" 1
132 2 1 DA H2'' 2 1 DA H5'' 4.500 . 7.200 4.982 4.898 5.297 . 0 0 "[ . 1]" 1
133 2 1 DA H2' 2 1 DA H2'' 2.700 . 3.600 1.794 1.794 1.795 0.006 9 0 "[ . 1]" 1
134 2 1 DA H2' 2 1 DA H8 3.800 3.000 4.600 4.255 4.163 4.374 . 0 0 "[ . 1]" 1
135 2 1 DA H2'' 2 1 DA H8 4.210 3.370 5.050 3.678 3.506 3.888 . 0 0 "[ . 1]" 1
136 2 1 DA H2 2 1 DA H2' 6.000 4.200 7.800 4.474 4.241 4.663 . 0 0 "[ . 1]" 1
137 2 1 DA H2 2 1 DA H2'' 6.000 4.200 7.800 6.129 5.948 6.268 . 0 0 "[ . 1]" 1
138 2 1 DA H2 2 1 DA H4' 6.000 4.200 7.800 6.080 5.877 6.225 . 0 0 "[ . 1]" 1
139 2 1 DA H1' 2 1 DA H3' 4.510 3.610 5.410 3.824 3.796 3.853 . 0 0 "[ . 1]" 1
140 2 1 DA H1' 2 1 DA H8 2.970 2.380 3.560 2.628 2.606 2.650 . 0 0 "[ . 1]" 1
141 2 1 DA H1' 2 2 DG H4' 5.770 4.620 6.920 5.443 5.076 5.812 . 0 0 "[ . 1]" 1
142 2 1 DA H1' 2 2 DG H5' 3.930 3.140 4.720 3.576 3.376 3.827 . 0 0 "[ . 1]" 1
143 2 1 DA H5' 2 2 DG H8 5.500 3.800 7.200 7.009 6.600 7.220 0.020 5 0 "[ . 1]" 1
144 2 1 DA H5'' 2 2 DG H8 5.500 3.800 7.200 6.814 6.457 7.160 . 0 0 "[ . 1]" 1
145 2 1 DA H4' 2 2 DG H8 5.500 3.800 7.200 5.214 4.862 5.648 . 0 0 "[ . 1]" 1
146 2 1 DA H8 2 2 DG H8 4.710 3.770 5.650 3.731 3.714 3.746 0.056 1 0 "[ . 1]" 1
147 2 1 DA H1' 2 2 DG H5'' 5.500 3.800 7.200 5.178 5.110 5.288 . 0 0 "[ . 1]" 1
148 2 1 DA H8 2 2 DG H5'' 5.500 3.800 7.200 7.241 7.211 7.262 0.062 10 0 "[ . 1]" 1
149 2 1 DA H8 2 2 DG H4' 6.000 4.200 7.800 6.907 6.536 7.219 . 0 0 "[ . 1]" 1
150 2 1 DA H1' 2 2 DG H1' 5.230 3.660 6.800 5.632 5.225 5.964 . 0 0 "[ . 1]" 1
151 2 1 DA H1' 2 2 DG H8 3.470 2.780 4.160 2.951 2.765 3.226 0.015 10 0 "[ . 1]" 1
152 2 1 DA H1' 2 2 DG H3' 5.530 3.870 7.190 6.264 6.135 6.434 . 0 0 "[ . 1]" 1
153 2 1 DA H4' 2 15 DG H1' 5.440 4.350 6.530 5.124 4.662 5.386 . 0 0 "[ . 1]" 1
154 2 1 DA H2 2 15 DG H8 4.850 3.400 6.300 4.043 3.694 4.408 . 0 0 "[ . 1]" 1
155 2 1 DA H2 2 15 DG H1' 6.000 4.200 7.800 5.957 5.768 6.170 . 0 0 "[ . 1]" 1
156 2 1 DA H5'' 2 15 DG H1' 4.500 . 7.200 4.243 3.046 4.716 . 0 0 "[ . 1]" 1
157 2 1 DA H5' 2 15 DG H1' 4.500 . 7.200 3.394 2.746 4.631 . 0 0 "[ . 1]" 1
158 2 1 DA H2 2 15 DG H3' 5.630 4.500 6.760 5.560 5.079 5.917 . 0 0 "[ . 1]" 1
159 2 1 DA H2 2 15 DG H4' 6.000 4.200 7.800 7.428 7.043 7.665 . 0 0 "[ . 1]" 1
160 2 1 DA H2 2 15 DG H2'' 3.810 3.050 4.570 4.588 4.582 4.598 0.028 2 0 "[ . 1]" 1
161 2 1 DA H2 2 15 DG H2' 3.820 3.060 4.580 3.628 3.295 3.841 . 0 0 "[ . 1]" 1
162 2 2 DG H1' 2 2 DG H4' 3.820 3.060 4.580 3.331 3.049 3.455 0.011 6 0 "[ . 1]" 1
163 2 2 DG H1' 2 2 DG H5'' 4.810 3.850 5.770 5.061 4.967 5.130 . 0 0 "[ . 1]" 1
164 2 2 DG H1' 2 2 DG H2' 3.230 2.580 3.880 2.990 2.957 3.026 . 0 0 "[ . 1]" 1
165 2 2 DG H1' 2 2 DG H2'' 3.020 2.420 3.620 2.399 2.387 2.417 0.033 9 0 "[ . 1]" 1
166 2 2 DG H2'' 2 2 DG H4' 4.870 3.900 5.840 3.906 3.841 4.073 0.059 2 0 "[ . 1]" 1
167 2 2 DG H2'' 2 2 DG H5'' 5.510 3.860 7.160 4.952 4.750 5.127 . 0 0 "[ . 1]" 1
168 2 2 DG H4' 2 2 DG H5' 3.050 2.440 3.660 2.491 2.430 2.577 0.010 10 0 "[ . 1]" 1
169 2 2 DG H4' 2 2 DG H5'' 2.700 . 3.600 2.408 2.345 2.456 . 0 0 "[ . 1]" 1
170 2 2 DG H5'' 2 2 DG H8 5.500 3.800 7.200 4.346 4.068 4.896 . 0 0 "[ . 1]" 1
171 2 2 DG H3' 2 2 DG H4' 3.350 2.680 4.020 2.837 2.733 2.913 . 0 0 "[ . 1]" 1
172 2 2 DG H3' 2 2 DG H5'' 3.490 2.440 4.540 2.635 2.541 2.831 . 0 0 "[ . 1]" 1
173 2 2 DG H2' 2 2 DG H4' 4.330 3.460 5.200 3.934 3.801 3.997 . 0 0 "[ . 1]" 1
174 2 2 DG H2' 2 2 DG H2'' 2.700 . 3.600 1.789 1.787 1.793 0.013 2 0 "[ . 1]" 1
175 2 2 DG H2'' 2 2 DG H3' 2.700 . 3.600 2.749 2.667 2.813 . 0 0 "[ . 1]" 1
176 2 2 DG H2' 2 2 DG H3' 2.700 . 3.600 2.295 2.268 2.374 . 0 0 "[ . 1]" 1
177 2 2 DG H3' 2 2 DG H8 3.800 3.000 4.600 4.174 3.875 4.628 0.028 10 0 "[ . 1]" 1
178 2 2 DG H2' 2 2 DG H8 3.800 3.000 4.600 2.953 2.926 2.997 0.074 10 0 "[ . 1]" 1
179 2 2 DG H5' 2 2 DG H5'' 2.700 . 3.600 1.773 1.771 1.776 0.029 10 0 "[ . 1]" 1
180 2 2 DG H2' 2 2 DG H5'' 4.500 . 7.200 4.197 3.684 4.475 . 0 0 "[ . 1]" 1
181 2 2 DG H1' 2 2 DG H5' 4.500 . 7.200 4.616 4.502 4.671 . 0 0 "[ . 1]" 1
182 2 2 DG H3' 2 2 DG H5' 3.800 3.000 4.600 3.639 3.595 3.718 . 0 0 "[ . 1]" 1
183 2 2 DG H4' 2 2 DG H8 5.290 4.230 6.350 4.509 4.424 4.696 . 0 0 "[ . 1]" 1
184 2 2 DG H5' 2 2 DG H8 4.240 3.390 5.090 3.460 3.352 3.831 0.038 3 0 "[ . 1]" 1
185 2 2 DG H1' 2 2 DG H8 4.040 3.230 4.850 3.896 3.872 3.910 . 0 0 "[ . 1]" 1
186 2 2 DG H2'' 2 2 DG H8 3.840 3.070 4.610 4.391 4.332 4.432 . 0 0 "[ . 1]" 1
187 2 2 DG H1' 2 2 DG H3' 4.570 3.660 5.480 3.938 3.829 4.011 . 0 0 "[ . 1]" 1
188 2 2 DG H5'' 2 3 DG H1' 5.040 4.030 6.050 5.561 4.609 5.936 . 0 0 "[ . 1]" 1
189 2 2 DG H4' 2 3 DG H1' 5.000 4.000 6.000 5.004 4.775 5.183 . 0 0 "[ . 1]" 1
190 2 2 DG H1' 2 3 DG H2' 4.390 3.070 5.710 5.752 5.718 5.788 0.078 10 0 "[ . 1]" 1
191 2 2 DG H4' 2 3 DG H3' 6.000 4.200 7.800 5.013 4.802 5.227 . 0 0 "[ . 1]" 1
192 2 2 DG H5'' 2 3 DG H4' 5.770 4.040 7.500 5.316 4.728 5.571 . 0 0 "[ . 1]" 1
193 2 2 DG H4' 2 3 DG H4' 4.440 3.550 5.330 4.990 4.818 5.380 0.050 10 0 "[ . 1]" 1
194 2 2 DG H4' 2 3 DG H5' 4.210 3.370 5.050 3.522 3.306 4.495 0.064 6 0 "[ . 1]" 1
195 2 2 DG H5'' 2 3 DG H5' 4.830 3.380 6.280 3.787 3.547 4.132 . 0 0 "[ . 1]" 1
196 2 2 DG H4' 2 3 DG H2' 5.170 3.620 6.720 3.705 3.532 3.928 0.088 10 0 "[ . 1]" 1
197 2 2 DG H3' 2 3 DG H8 5.910 4.140 7.680 7.089 6.809 7.387 . 0 0 "[ . 1]" 1
198 2 2 DG H3' 2 3 DG H2' 5.880 4.120 7.640 6.077 5.034 6.560 . 0 0 "[ . 1]" 1
199 2 2 DG H5' 2 3 DG H4' 5.500 3.800 7.200 6.408 6.100 6.582 . 0 0 "[ . 1]" 1
200 2 2 DG H5' 2 3 DG H8 5.500 3.800 7.200 4.562 4.203 4.814 . 0 0 "[ . 1]" 1
201 2 2 DG H4' 2 3 DG H8 4.850 3.880 5.820 4.978 4.759 5.203 . 0 0 "[ . 1]" 1
202 2 2 DG H5'' 2 3 DG H8 5.110 4.090 6.130 4.803 4.187 5.117 . 0 0 "[ . 1]" 1
203 2 2 DG H1' 2 7 DG H8 6.000 4.200 7.800 4.639 4.228 5.065 . 0 0 "[ . 1]" 1
204 2 2 DG H4' 2 18 DG H1' 6.000 4.200 7.800 7.536 7.189 7.806 0.006 6 0 "[ . 1]" 1
205 2 3 DG H1' 2 3 DG H2' 3.300 2.640 3.960 3.021 3.001 3.035 . 0 0 "[ . 1]" 1
206 2 3 DG H1' 2 3 DG H8 2.920 2.340 3.500 2.633 2.463 2.709 . 0 0 "[ . 1]" 1
207 2 3 DG H1' 2 3 DG H2'' 2.980 2.380 3.580 2.380 2.367 2.397 0.013 3 0 "[ . 1]" 1
208 2 3 DG H3' 2 3 DG H5' 3.090 2.470 3.710 3.638 3.591 3.685 . 0 0 "[ . 1]" 1
209 2 3 DG H4' 2 3 DG H5' 2.920 2.340 3.500 2.398 2.358 2.431 . 0 0 "[ . 1]" 1
210 2 3 DG H3' 2 3 DG H4' 3.100 2.480 3.720 2.772 2.739 2.871 . 0 0 "[ . 1]" 1
211 2 3 DG H2' 2 3 DG H3' 3.080 2.460 3.700 2.379 2.335 2.402 0.125 5 0 "[ . 1]" 1
212 2 3 DG H2'' 2 3 DG H3' 3.020 2.420 3.620 2.756 2.726 2.776 . 0 0 "[ . 1]" 1
213 2 3 DG H2' 2 3 DG H4' 4.760 3.810 5.710 3.844 3.809 3.922 0.001 9 0 "[ . 1]" 1
214 2 3 DG H2' 2 3 DG H5' 5.140 4.110 6.170 4.184 4.067 4.615 0.043 6 0 "[ . 1]" 1
215 2 3 DG H2' 2 3 DG H2'' 2.700 . 3.600 1.795 1.791 1.799 0.009 5 0 "[ . 1]" 1
216 2 3 DG H3' 2 3 DG H8 4.690 3.280 6.100 6.109 6.040 6.132 0.032 7 0 "[ . 1]" 1
217 2 3 DG H2'' 2 3 DG H4' 3.730 2.610 4.850 4.054 3.853 4.116 . 0 0 "[ . 1]" 1
218 2 3 DG H4' 2 3 DG H8 4.610 3.690 5.530 5.122 4.956 5.188 . 0 0 "[ . 1]" 1
219 2 3 DG H5' 2 3 DG H8 4.390 3.070 5.710 5.755 5.698 5.892 0.182 6 0 "[ . 1]" 1
220 2 3 DG H2' 2 3 DG H8 4.710 3.770 5.650 4.683 4.617 4.722 . 0 0 "[ . 1]" 1
221 2 3 DG H2'' 2 3 DG H8 3.950 3.160 4.740 4.570 4.270 4.681 . 0 0 "[ . 1]" 1
222 2 3 DG H1' 2 3 DG H5' 4.500 . 7.200 4.686 4.549 4.740 . 0 0 "[ . 1]" 1
223 2 3 DG H1' 2 3 DG H4' 3.980 2.790 5.170 3.276 3.046 3.353 . 0 0 "[ . 1]" 1
224 2 3 DG H1' 2 3 DG H3' 4.200 3.360 5.040 3.831 3.769 3.909 . 0 0 "[ . 1]" 1
225 2 3 DG H2' 2 4 DG H4' 6.000 4.200 7.800 6.653 6.212 6.953 . 0 0 "[ . 1]" 1
226 2 3 DG H8 2 4 DG H4' 5.500 3.800 7.200 7.233 7.093 7.375 0.175 6 0 "[ . 1]" 1
227 2 3 DG H2' 2 4 DG H3' 4.540 3.180 5.900 4.863 4.163 5.773 . 0 0 "[ . 1]" 1
228 2 3 DG H3' 2 4 DG H8 6.000 4.200 7.800 6.528 5.760 7.668 . 0 0 "[ . 1]" 1
229 2 3 DG H8 2 4 DG H3' 6.000 4.800 7.200 5.293 4.883 5.858 . 0 0 "[ . 1]" 1
230 2 3 DG H3' 2 4 DG H3' 5.500 3.800 7.200 5.586 3.773 6.835 0.027 4 0 "[ . 1]" 1
231 2 3 DG H3' 2 4 DG H4' 4.500 . 7.200 6.560 6.174 7.221 0.021 3 0 "[ . 1]" 1
232 2 3 DG H4' 2 4 DG H8 6.000 4.800 7.200 5.209 4.776 6.420 0.024 4 0 "[ . 1]" 1
233 2 3 DG H2' 2 4 DG H8 6.000 4.800 7.200 6.691 5.519 7.221 0.021 5 0 "[ . 1]" 1
234 2 3 DG H1' 2 4 DG H4' 5.840 4.670 7.010 5.371 5.150 5.715 . 0 0 "[ . 1]" 1
235 2 3 DG H1' 2 4 DG H3' 4.130 3.300 4.960 3.776 3.128 4.569 0.172 6 0 "[ . 1]" 1
236 2 3 DG H2' 2 7 DG H8 6.000 4.800 7.200 7.044 6.984 7.139 . 0 0 "[ . 1]" 1
237 2 3 DG H2' 2 18 DG H1' 5.620 4.500 6.740 6.149 6.026 6.385 . 0 0 "[ . 1]" 1
238 2 3 DG H8 2 18 DG H1' 3.600 2.880 4.320 3.014 2.857 3.535 0.023 8 0 "[ . 1]" 1
239 2 3 DG H1' 2 18 DG H2'' 4.620 3.700 5.540 4.640 4.281 4.957 . 0 0 "[ . 1]" 1
240 2 3 DG H8 2 18 DG H2' 3.590 2.870 4.310 4.180 4.107 4.252 . 0 0 "[ . 1]" 1
241 2 3 DG H1' 2 18 DG H2' 6.000 4.800 7.200 6.240 6.001 6.544 . 0 0 "[ . 1]" 1
242 2 3 DG H4' 2 18 DG H2'' 5.500 3.800 7.200 7.185 7.061 7.248 0.048 2 0 "[ . 1]" 1
243 2 3 DG H8 2 18 DG H8 4.700 3.290 6.110 5.444 5.344 5.620 . 0 0 "[ . 1]" 1
244 2 3 DG H8 2 18 DG H3' 4.830 3.860 5.800 5.032 4.835 5.294 . 0 0 "[ . 1]" 1
245 2 3 DG H8 2 18 DG H2'' 3.260 2.610 3.910 2.589 2.564 2.611 0.046 2 0 "[ . 1]" 1
246 2 3 DG H1' 2 18 DG H1' 5.680 3.980 7.380 4.025 3.956 4.301 0.024 10 0 "[ . 1]" 1
247 2 3 DG H1' 2 18 DG H3' 5.840 4.670 7.010 6.431 6.281 6.634 . 0 0 "[ . 1]" 1
248 2 4 DG H1' 2 4 DG H4' 3.830 2.680 4.980 3.041 2.678 3.313 0.002 7 0 "[ . 1]" 1
249 2 4 DG H1' 2 4 DG H2'' 3.160 2.530 3.790 2.521 2.509 2.534 0.021 5 0 "[ . 1]" 1
250 2 4 DG H1' 2 4 DG H2' 3.440 2.750 4.130 3.033 3.010 3.040 . 0 0 "[ . 1]" 1
251 2 4 DG H1' 2 4 DG H8 3.730 2.980 4.480 3.826 3.262 3.938 . 0 0 "[ . 1]" 1
252 2 4 DG H1' 2 4 DG H3' 4.180 2.920 5.440 3.771 3.711 3.869 . 0 0 "[ . 1]" 1
253 2 4 DG H3' 2 4 DG H8 4.870 3.900 5.840 4.840 4.542 5.190 . 0 0 "[ . 1]" 1
254 2 4 DG H2'' 2 4 DG H3' 2.700 . 3.600 2.598 2.522 2.676 . 0 0 "[ . 1]" 1
255 2 4 DG H2' 2 4 DG H3' 2.700 . 3.600 2.360 2.284 2.393 . 0 0 "[ . 1]" 1
256 2 4 DG H2'' 2 4 DG H4' 3.800 3.000 4.600 3.934 3.499 4.022 . 0 0 "[ . 1]" 1
257 2 4 DG H2' 2 4 DG H4' 3.800 3.000 4.600 3.813 3.775 3.871 . 0 0 "[ . 1]" 1
258 2 4 DG H3' 2 4 DG H4' 2.700 . 3.600 2.817 2.695 2.970 . 0 0 "[ . 1]" 1
259 2 4 DG H4' 2 4 DG H8 6.000 4.800 7.200 4.856 4.711 5.527 0.089 8 0 "[ . 1]" 1
260 2 4 DG H2' 2 4 DG H2'' 2.700 . 3.600 1.794 1.791 1.797 0.009 7 0 "[ . 1]" 1
261 2 4 DG H5'' 2 4 DG H8 4.500 . 7.200 4.409 3.411 6.964 . 0 0 "[ . 1]" 1
262 2 4 DG H5' 2 4 DG H8 4.500 . 7.200 4.888 3.905 6.778 . 0 0 "[ . 1]" 1
263 2 4 DG H1' 2 4 DG H5'' 4.890 3.420 6.360 4.649 4.375 4.960 . 0 0 "[ . 1]" 1
264 2 4 DG H1' 2 4 DG H5' 5.500 3.800 7.200 4.743 4.456 4.918 . 0 0 "[ . 1]" 1
265 2 4 DG H2' 2 4 DG H8 3.290 2.630 3.950 2.954 2.572 3.468 0.058 6 0 "[ . 1]" 1
266 2 4 DG H2'' 2 4 DG H8 3.930 3.140 4.720 4.235 3.122 4.724 0.018 7 0 "[ . 1]" 1
267 2 4 DG H4' 2 5 DG H2' 5.400 4.320 6.480 5.186 4.305 6.044 0.015 10 0 "[ . 1]" 1
268 2 4 DG H4' 2 5 DG H8 6.000 4.200 7.800 5.154 4.212 5.892 . 0 0 "[ . 1]" 1
269 2 4 DG H2'' 2 5 DG H2' 5.500 3.800 7.200 5.756 5.320 6.881 . 0 0 "[ . 1]" 1
270 2 4 DG H5'' 2 5 DG H8 5.330 3.730 6.930 5.510 4.328 6.148 . 0 0 "[ . 1]" 1
271 2 4 DG H5' 2 5 DG H8 5.500 3.800 7.200 5.834 4.441 7.211 0.011 4 0 "[ . 1]" 1
272 2 5 DG H1' 2 5 DG H2' 3.450 2.760 4.140 3.014 3.001 3.028 . 0 0 "[ . 1]" 1
273 2 5 DG H1' 2 5 DG H8 4.050 3.240 4.860 3.879 3.815 3.910 . 0 0 "[ . 1]" 1
274 2 5 DG H3' 2 5 DG H8 4.310 3.450 5.170 4.449 4.201 4.702 . 0 0 "[ . 1]" 1
275 2 5 DG H2' 2 5 DG H3' 3.120 2.500 3.740 2.378 2.348 2.397 0.152 8 0 "[ . 1]" 1
276 2 5 DG H2'' 2 5 DG H3' 2.700 . 3.600 2.973 2.706 3.065 . 0 0 "[ . 1]" 1
277 2 5 DG H2' 2 5 DG H2'' 2.700 . 3.600 1.796 1.794 1.797 0.006 8 0 "[ . 1]" 1
278 2 5 DG H1' 2 5 DG H4' 3.800 3.000 4.600 3.231 2.937 3.567 0.063 8 0 "[ . 1]" 1
279 2 5 DG H3' 2 5 DG H4' 2.700 . 3.600 2.811 2.715 2.929 . 0 0 "[ . 1]" 1
280 2 5 DG H2' 2 5 DG H4' 4.320 3.020 5.620 3.883 3.842 3.942 . 0 0 "[ . 1]" 1
281 2 5 DG H2'' 2 5 DG H4' 3.800 3.000 4.600 3.986 3.709 4.146 . 0 0 "[ . 1]" 1
282 2 5 DG H1' 2 5 DG H3' 3.800 3.000 4.600 3.899 3.839 3.939 . 0 0 "[ . 1]" 1
283 2 5 DG H1' 2 5 DG H2'' 2.700 . 3.600 2.168 2.097 2.405 . 0 0 "[ . 1]" 1
284 2 5 DG H2' 2 5 DG Q5' 3.800 3.000 5.100 3.596 2.475 4.145 0.525 2 1 "[ + . 1]" 1
285 2 5 DG Q5' 2 5 DG H8 3.800 3.000 5.100 3.592 2.439 4.087 0.561 2 1 "[ + . 1]" 1
286 2 5 DG H4' 2 5 DG H8 4.680 3.740 5.620 4.596 4.227 4.738 . 0 0 "[ . 1]" 1
287 2 5 DG H2'' 2 5 DG H8 3.810 3.050 4.570 4.143 3.952 4.414 . 0 0 "[ . 1]" 1
288 2 5 DG H2' 2 5 DG H8 3.460 2.420 4.500 2.882 2.469 3.302 . 0 0 "[ . 1]" 1
289 2 5 DG H1' 2 6 DG H8 3.800 3.000 4.600 3.755 3.151 4.073 . 0 0 "[ . 1]" 1
290 2 5 DG H3' 2 6 DG H8 3.800 3.000 4.600 4.562 4.137 4.633 0.033 5 0 "[ . 1]" 1
291 2 5 DG H2'' 2 6 DG H8 2.700 . 3.600 2.049 1.928 2.146 . 0 0 "[ . 1]" 1
292 2 5 DG H2' 2 6 DG H1' 5.500 3.800 7.200 6.710 6.170 7.159 . 0 0 "[ . 1]" 1
293 2 5 DG H2'' 2 6 DG H1' 5.500 3.800 7.200 5.122 4.784 5.491 . 0 0 "[ . 1]" 1
294 2 5 DG H8 2 6 DG H8 6.000 4.800 7.200 5.350 5.003 5.655 . 0 0 "[ . 1]" 1
295 2 5 DG H2' 2 6 DG H8 3.250 2.600 3.900 3.092 2.591 3.432 0.009 2 0 "[ . 1]" 1
296 2 5 DG H8 2 18 DG H1' 5.510 4.410 6.610 5.631 5.009 6.203 . 0 0 "[ . 1]" 1
297 2 6 DG H1' 2 6 DG H8 3.800 3.000 4.600 3.907 3.838 3.918 . 0 0 "[ . 1]" 1
298 2 6 DG H3' 2 6 DG H8 3.800 3.000 4.600 4.312 4.212 4.579 . 0 0 "[ . 1]" 1
299 2 6 DG H4' 2 6 DG H8 4.500 . 7.200 4.799 4.205 4.930 . 0 0 "[ . 1]" 1
300 2 6 DG H1' 2 6 DG H4' 3.260 2.280 4.240 3.106 2.881 3.603 . 0 0 "[ . 1]" 1
301 2 6 DG H3' 2 6 DG H4' 2.700 . 3.600 2.843 2.721 2.906 . 0 0 "[ . 1]" 1
302 2 6 DG H2'' 2 6 DG H8 3.800 3.000 4.600 3.937 3.682 4.400 . 0 0 "[ . 1]" 1
303 2 6 DG H2' 2 6 DG H8 2.700 . 3.600 2.588 2.414 3.278 . 0 0 "[ . 1]" 1
304 2 6 DG H1' 2 6 DG H2' 3.120 2.190 4.050 3.019 2.993 3.026 . 0 0 "[ . 1]" 1
305 2 6 DG H1' 2 6 DG H2'' 2.850 . 3.710 2.240 2.085 2.400 . 0 0 "[ . 1]" 1
306 2 6 DG H2' 2 6 DG H3' 2.700 . 3.600 2.326 2.307 2.344 . 0 0 "[ . 1]" 1
307 2 6 DG H2'' 2 6 DG H3' 2.700 . 3.600 2.911 2.729 3.064 . 0 0 "[ . 1]" 1
308 2 6 DG H2' 2 6 DG H2'' 2.700 . 3.600 1.792 1.790 1.794 0.010 8 0 "[ . 1]" 1
309 2 6 DG H1' 2 7 DG H4' 4.270 3.420 5.120 4.507 4.205 4.888 . 0 0 "[ . 1]" 1
310 2 6 DG H1' 2 7 DG H8 3.800 3.000 4.600 3.373 3.102 3.700 . 0 0 "[ . 1]" 1
311 2 6 DG H3' 2 7 DG H8 4.500 . 7.200 4.731 3.926 5.034 . 0 0 "[ . 1]" 1
312 2 6 DG H1' 2 7 DG H3' 5.500 3.800 7.200 5.780 5.504 6.061 . 0 0 "[ . 1]" 1
313 2 6 DG H2'' 2 7 DG H8 2.700 . 3.600 1.999 1.905 2.178 . 0 0 "[ . 1]" 1
314 2 6 DG H2'' 2 7 DG H1' 5.500 3.800 7.200 5.117 4.412 5.647 . 0 0 "[ . 1]" 1
315 2 6 DG H2'' 2 7 DG H4' 4.500 . 7.200 4.767 4.181 5.234 . 0 0 "[ . 1]" 1
316 2 6 DG H1' 2 7 DG H1' 4.830 3.380 6.280 5.080 4.793 5.720 . 0 0 "[ . 1]" 1
317 2 7 DG H1' 2 7 DG H3' 3.760 3.010 4.510 3.889 3.805 4.027 . 0 0 "[ . 1]" 1
318 2 7 DG H1' 2 7 DG H4' 3.600 2.880 4.320 3.042 2.835 3.735 0.045 7 0 "[ . 1]" 1
319 2 7 DG H1' 2 7 DG H2' 3.120 2.500 3.740 3.006 2.951 3.028 . 0 0 "[ . 1]" 1
320 2 7 DG H1' 2 7 DG H2'' 2.920 2.340 3.500 2.380 2.334 2.497 0.006 6 0 "[ . 1]" 1
321 2 7 DG H1' 2 7 DG H8 4.120 3.300 4.940 3.902 3.889 3.929 . 0 0 "[ . 1]" 1
322 2 7 DG H3' 2 7 DG H8 3.800 3.000 4.600 4.338 4.081 4.603 0.003 4 0 "[ . 1]" 1
323 2 7 DG H4' 2 7 DG H8 4.860 3.400 6.320 4.661 4.124 4.843 . 0 0 "[ . 1]" 1
324 2 7 DG H2'' 2 7 DG H8 3.800 3.000 4.600 4.363 4.249 4.431 . 0 0 "[ . 1]" 1
325 2 7 DG H2' 2 7 DG H8 3.800 3.000 4.600 2.962 2.939 2.988 0.061 4 0 "[ . 1]" 1
326 2 7 DG H2'' 2 7 DG H4' 3.800 3.000 4.600 3.815 3.670 4.039 . 0 0 "[ . 1]" 1
327 2 7 DG H2' 2 7 DG H4' 3.800 3.000 4.600 3.893 3.868 3.915 . 0 0 "[ . 1]" 1
328 2 7 DG H2' 2 7 DG H2'' 2.700 . 3.600 1.790 1.788 1.792 0.012 1 0 "[ . 1]" 1
329 2 7 DG H4' 2 8 DA H8 5.500 3.800 7.200 5.124 3.784 6.742 0.016 6 0 "[ . 1]" 1
330 2 7 DG H1' 2 8 DA H4' 5.500 3.800 7.200 5.737 3.928 6.596 . 0 0 "[ . 1]" 1
331 2 7 DG H4' 2 8 DA H2' 4.500 . 7.200 4.121 2.886 5.129 . 0 0 "[ . 1]" 1
332 2 7 DG H4' 2 8 DA H3' 3.800 3.000 4.600 3.330 2.938 4.615 0.062 7 0 "[ . 1]" 1
333 2 7 DG H1' 2 8 DA H3' 4.670 3.730 5.610 5.448 4.737 5.656 0.046 9 0 "[ . 1]" 1
334 2 8 DA H1' 2 8 DA H8 3.800 3.000 4.600 3.838 3.566 3.920 . 0 0 "[ . 1]" 1
335 2 8 DA H1' 2 8 DA H2 5.500 3.800 7.200 4.580 4.429 5.015 . 0 0 "[ . 1]" 1
336 2 8 DA H3' 2 8 DA H8 3.800 3.000 4.600 4.339 3.628 4.518 . 0 0 "[ . 1]" 1
337 2 8 DA H4' 2 8 DA H8 5.500 3.800 7.200 5.107 4.651 5.487 . 0 0 "[ . 1]" 1
338 2 8 DA H2' 2 8 DA H8 2.700 . 3.600 2.221 2.078 2.469 . 0 0 "[ . 1]" 1
339 2 8 DA H2'' 2 8 DA H8 2.700 . 3.600 3.395 2.774 3.612 0.012 5 0 "[ . 1]" 1
340 2 8 DA H1' 2 8 DA H3' 3.800 3.000 4.600 3.844 3.763 4.048 . 0 0 "[ . 1]" 1
341 2 8 DA H1' 2 8 DA H4' 3.800 3.000 4.600 3.242 2.959 3.751 0.041 7 0 "[ . 1]" 1
342 2 8 DA H2' 2 8 DA H4' 3.800 3.000 4.600 3.838 3.790 3.945 . 0 0 "[ . 1]" 1
343 2 8 DA H2'' 2 8 DA H4' 3.800 3.000 4.600 4.039 3.940 4.138 . 0 0 "[ . 1]" 1
344 2 8 DA H2 2 8 DA H2'' 5.500 3.800 7.200 6.269 5.561 7.180 . 0 0 "[ . 1]" 1
345 2 8 DA H2' 2 8 DA H3' 2.700 . 3.600 2.354 2.307 2.383 . 0 0 "[ . 1]" 1
346 2 8 DA H2'' 2 8 DA H3' 2.700 . 3.600 2.896 2.631 3.062 . 0 0 "[ . 1]" 1
347 2 8 DA H4' 2 9 DG H8 5.500 3.800 7.200 6.131 4.799 7.180 . 0 0 "[ . 1]" 1
348 2 8 DA H4' 2 9 DG H2' 4.500 . 7.200 4.724 3.783 5.467 . 0 0 "[ . 1]" 1
349 2 8 DA H4' 2 9 DG H2'' 5.500 3.800 7.200 5.719 5.095 6.229 . 0 0 "[ . 1]" 1
350 2 8 DA H4' 2 9 DG H3' 3.800 3.000 4.600 3.256 2.960 4.626 0.040 6 0 "[ . 1]" 1
351 2 8 DA H4' 2 10 DG H8 5.500 3.800 7.200 6.877 6.471 7.244 0.044 6 0 "[ . 1]" 1
352 2 9 DG H1' 2 9 DG H8 3.800 3.000 4.600 3.889 3.850 3.913 . 0 0 "[ . 1]" 1
353 2 9 DG H3' 2 9 DG H8 3.800 3.000 4.600 4.315 3.770 4.629 0.029 9 0 "[ . 1]" 1
354 2 9 DG H2' 2 9 DG H3' 2.700 . 3.600 2.313 2.275 2.340 . 0 0 "[ . 1]" 1
355 2 9 DG H2'' 2 9 DG H3' 2.700 . 3.600 3.030 2.920 3.119 . 0 0 "[ . 1]" 1
356 2 9 DG H4' 2 9 DG H8 4.500 . 7.200 4.705 4.574 4.847 . 0 0 "[ . 1]" 1
357 2 9 DG H1' 2 9 DG H4' 3.800 3.000 4.600 3.062 2.888 3.322 0.112 4 0 "[ . 1]" 1
358 2 9 DG H3' 2 9 DG H4' 2.700 . 3.600 2.873 2.798 2.991 . 0 0 "[ . 1]" 1
359 2 9 DG H2' 2 9 DG H8 2.700 . 3.600 2.865 2.657 3.074 . 0 0 "[ . 1]" 1
360 2 9 DG H1' 2 9 DG H3' 3.800 3.000 4.600 3.883 3.825 3.944 . 0 0 "[ . 1]" 1
361 2 9 DG H1' 2 9 DG H2' 2.700 . 3.600 3.009 2.962 3.024 . 0 0 "[ . 1]" 1
362 2 9 DG H1' 2 9 DG H2'' 2.700 . 3.600 2.101 1.973 2.239 . 0 0 "[ . 1]" 1
363 2 9 DG H1' 2 10 DG H8 3.800 3.000 4.600 3.729 3.458 4.203 . 0 0 "[ . 1]" 1
364 2 9 DG H2'' 2 10 DG H8 2.700 . 3.600 2.090 1.976 2.381 . 0 0 "[ . 1]" 1
365 2 9 DG H2' 2 10 DG H1' 5.500 3.800 7.200 6.640 6.260 7.125 . 0 0 "[ . 1]" 1
366 2 9 DG H2'' 2 10 DG H1' 5.500 3.800 7.200 5.072 4.799 5.407 . 0 0 "[ . 1]" 1
367 2 9 DG H3' 2 10 DG H8 4.090 3.270 4.910 4.676 4.352 4.918 0.008 10 0 "[ . 1]" 1
368 2 9 DG H2' 2 10 DG H3' 5.500 3.800 7.200 6.121 5.490 6.793 . 0 0 "[ . 1]" 1
369 2 9 DG H2' 2 10 DG H8 3.300 2.640 3.960 3.085 2.635 3.451 0.005 4 0 "[ . 1]" 1
370 2 10 DG H1' 2 10 DG H8 3.800 3.000 4.600 3.879 3.852 3.911 . 0 0 "[ . 1]" 1
371 2 10 DG H3' 2 10 DG H8 3.800 3.000 4.600 4.009 3.493 4.466 . 0 0 "[ . 1]" 1
372 2 10 DG H1' 2 10 DG H3' 3.650 2.560 4.740 3.909 3.856 3.943 . 0 0 "[ . 1]" 1
373 2 10 DG H4' 2 10 DG H8 3.800 3.000 4.600 4.645 4.608 4.677 0.077 1 0 "[ . 1]" 1
374 2 10 DG H1' 2 10 DG H4' 3.240 2.270 4.210 3.081 2.733 3.616 . 0 0 "[ . 1]" 1
375 2 10 DG H3' 2 10 DG H4' 2.700 . 3.600 2.879 2.705 3.012 . 0 0 "[ . 1]" 1
376 2 10 DG H2'' 2 10 DG H8 3.800 3.000 4.600 4.153 3.932 4.362 . 0 0 "[ . 1]" 1
377 2 10 DG H2' 2 10 DG H8 2.700 . 3.600 2.787 2.291 3.186 . 0 0 "[ . 1]" 1
378 2 10 DG H1' 2 10 DG H2' 3.210 2.250 4.170 2.990 2.929 3.026 . 0 0 "[ . 1]" 1
379 2 10 DG H1' 2 10 DG H2'' 2.850 . 3.700 2.223 1.985 2.570 0.015 5 0 "[ . 1]" 1
380 2 10 DG H2' 2 10 DG H3' 2.700 . 3.600 2.318 2.286 2.361 . 0 0 "[ . 1]" 1
381 2 10 DG H2'' 2 10 DG H3' 2.700 . 3.600 2.882 2.463 3.161 . 0 0 "[ . 1]" 1
382 2 10 DG H2' 2 10 DG H2'' 2.700 . 3.600 1.792 1.790 1.793 0.010 4 0 "[ . 1]" 1
383 2 10 DG H1' 2 11 DG H4' 3.800 3.040 4.560 4.581 4.532 4.608 0.048 6 0 "[ . 1]" 1
384 2 10 DG H1' 2 11 DG H8 3.610 2.890 4.330 3.761 3.099 4.132 . 0 0 "[ . 1]" 1
385 2 10 DG H2'' 2 11 DG H8 3.100 2.480 3.720 2.455 2.444 2.467 0.036 2 0 "[ . 1]" 1
386 2 10 DG H1' 2 11 DG H3' 5.500 3.800 7.200 5.966 5.336 6.439 . 0 0 "[ . 1]" 1
387 2 10 DG H3' 2 11 DG H8 4.250 3.400 5.100 4.718 4.154 5.125 0.025 6 0 "[ . 1]" 1
388 2 10 DG H2'' 2 11 DG H1' 5.500 3.800 7.200 4.999 4.240 5.809 . 0 0 "[ . 1]" 1
389 2 10 DG H1' 2 11 DG H1' 4.900 3.430 6.370 5.224 4.716 5.938 . 0 0 "[ . 1]" 1
390 2 11 DG H1' 2 11 DG H4' 3.550 2.840 4.260 3.048 2.871 3.598 . 0 0 "[ . 1]" 1
391 2 11 DG H1' 2 11 DG H2'' 2.860 2.290 3.430 2.309 2.235 2.384 0.055 6 0 "[ . 1]" 1
392 2 11 DG H1' 2 11 DG H2' 3.100 2.480 3.720 3.026 2.973 3.042 . 0 0 "[ . 1]" 1
393 2 11 DG H1' 2 11 DG H8 4.080 3.260 4.900 3.901 3.867 3.916 . 0 0 "[ . 1]" 1
394 2 11 DG H2'' 2 11 DG H3' 2.600 . 3.380 2.873 2.789 2.973 . 0 0 "[ . 1]" 1
395 2 11 DG H2' 2 11 DG H3' 2.700 . 3.600 2.338 2.287 2.365 . 0 0 "[ . 1]" 1
396 2 11 DG H2'' 2 11 DG H4' 3.800 3.000 4.600 3.978 3.794 4.077 . 0 0 "[ . 1]" 1
397 2 11 DG H2' 2 11 DG H4' 3.800 3.000 4.600 3.848 3.797 3.920 . 0 0 "[ . 1]" 1
398 2 11 DG H3' 2 11 DG H4' 2.700 . 3.600 2.840 2.748 2.921 . 0 0 "[ . 1]" 1
399 2 11 DG H3' 2 11 DG H8 4.010 3.210 4.810 4.436 3.850 4.769 . 0 0 "[ . 1]" 1
400 2 11 DG H2' 2 11 DG H2'' 2.700 . 3.600 1.792 1.786 1.795 0.014 7 0 "[ . 1]" 1
401 2 11 DG H4' 2 11 DG H8 5.110 4.090 6.130 4.786 4.445 4.909 . 0 0 "[ . 1]" 1
402 2 11 DG H2' 2 11 DG H8 3.030 2.420 3.640 2.655 2.490 2.930 . 0 0 "[ . 1]" 1
403 2 11 DG H2'' 2 11 DG H8 3.060 2.140 3.980 3.985 3.957 4.026 0.046 6 0 "[ . 1]" 1
404 2 11 DG H1' 2 11 DG H3' 3.620 2.900 4.340 3.817 3.748 4.000 . 0 0 "[ . 1]" 1
405 2 11 DG H4' 2 12 DA H8 5.500 3.800 7.200 5.364 3.791 6.502 0.009 9 0 "[ . 1]" 1
406 2 11 DG H1' 2 12 DA H4' 5.500 3.800 7.200 5.750 4.852 6.251 . 0 0 "[ . 1]" 1
407 2 11 DG H4' 2 12 DA H2' 4.500 . 7.200 4.189 3.138 5.024 . 0 0 "[ . 1]" 1
408 2 11 DG H3' 2 12 DA H3' 5.500 3.800 7.200 5.464 4.831 5.782 . 0 0 "[ . 1]" 1
409 2 11 DG H4' 2 12 DA H3' 3.800 3.000 4.600 3.035 2.948 3.173 0.052 3 0 "[ . 1]" 1
410 2 11 DG H1' 2 12 DA H3' 4.540 3.180 5.900 5.526 4.936 5.932 0.032 7 0 "[ . 1]" 1
411 2 12 DA H1' 2 12 DA H8 3.800 3.000 4.600 3.849 3.718 3.918 . 0 0 "[ . 1]" 1
412 2 12 DA H1' 2 12 DA H2 5.500 3.800 7.200 4.567 4.434 4.783 . 0 0 "[ . 1]" 1
413 2 12 DA H3' 2 12 DA H8 3.800 3.000 4.600 4.354 4.210 4.525 . 0 0 "[ . 1]" 1
414 2 12 DA H4' 2 12 DA H8 5.500 3.800 7.200 5.162 4.919 5.489 . 0 0 "[ . 1]" 1
415 2 12 DA H2' 2 12 DA H8 2.700 . 3.600 2.180 1.993 2.394 . 0 0 "[ . 1]" 1
416 2 12 DA H2'' 2 12 DA H8 2.700 . 3.600 3.394 2.925 3.609 0.009 3 0 "[ . 1]" 1
417 2 12 DA H1' 2 12 DA H3' 3.800 3.000 4.600 3.829 3.779 3.899 . 0 0 "[ . 1]" 1
418 2 12 DA H1' 2 12 DA H4' 3.800 3.000 4.600 3.168 2.946 3.592 0.054 8 0 "[ . 1]" 1
419 2 12 DA H2' 2 12 DA H4' 3.800 3.000 4.600 3.837 3.782 3.881 . 0 0 "[ . 1]" 1
420 2 12 DA H2'' 2 12 DA H4' 3.800 3.000 4.600 4.020 3.872 4.124 . 0 0 "[ . 1]" 1
421 2 12 DA H2 2 12 DA H2'' 5.500 3.800 7.200 6.377 5.737 6.941 . 0 0 "[ . 1]" 1
422 2 12 DA H2' 2 12 DA H3' 2.700 . 3.600 2.350 2.315 2.377 . 0 0 "[ . 1]" 1
423 2 12 DA H2'' 2 12 DA H3' 2.700 . 3.600 2.851 2.711 2.984 . 0 0 "[ . 1]" 1
424 2 12 DA H4' 2 13 DG H8 5.500 3.800 7.200 5.746 4.339 6.857 . 0 0 "[ . 1]" 1
425 2 12 DA H4' 2 13 DG H1' 4.500 . 7.200 6.505 5.877 6.828 . 0 0 "[ . 1]" 1
426 2 12 DA H4' 2 13 DG H2'' 5.500 3.800 7.200 5.689 4.818 6.028 . 0 0 "[ . 1]" 1
427 2 12 DA H4' 2 13 DG H2' 4.500 . 7.200 4.563 3.167 5.130 . 0 0 "[ . 1]" 1
428 2 12 DA H4' 2 13 DG H3' 3.800 3.000 4.600 2.972 2.937 2.997 0.063 7 0 "[ . 1]" 1
429 2 12 DA H4' 2 14 DG H8 6.000 4.800 7.200 6.653 5.774 7.130 . 0 0 "[ . 1]" 1
430 2 13 DG H1' 2 13 DG H8 3.800 3.000 4.600 3.866 3.823 3.905 . 0 0 "[ . 1]" 1
431 2 13 DG H3' 2 13 DG H8 3.800 3.000 4.600 4.390 4.190 4.630 0.030 7 0 "[ . 1]" 1
432 2 13 DG H2' 2 13 DG H3' 2.700 . 3.600 2.311 2.272 2.351 . 0 0 "[ . 1]" 1
433 2 13 DG H2'' 2 13 DG H3' 2.700 . 3.600 3.018 2.762 3.093 . 0 0 "[ . 1]" 1
434 2 13 DG H4' 2 13 DG H8 4.500 . 7.200 4.623 4.255 4.805 . 0 0 "[ . 1]" 1
435 2 13 DG H1' 2 13 DG H4' 3.800 3.000 4.600 3.082 2.907 3.626 0.093 6 0 "[ . 1]" 1
436 2 13 DG H3' 2 13 DG H4' 2.700 . 3.600 2.868 2.737 2.951 . 0 0 "[ . 1]" 1
437 2 13 DG H2'' 2 13 DG H4' 3.800 3.000 4.600 3.876 3.638 4.087 . 0 0 "[ . 1]" 1
438 2 13 DG H2' 2 13 DG H8 2.700 . 3.600 3.012 2.764 3.226 . 0 0 "[ . 1]" 1
439 2 13 DG H1' 2 13 DG H3' 3.800 3.000 4.600 3.890 3.833 3.995 . 0 0 "[ . 1]" 1
440 2 13 DG H1' 2 13 DG H2' 2.700 . 3.600 3.008 2.974 3.026 . 0 0 "[ . 1]" 1
441 2 13 DG H1' 2 13 DG H2'' 2.700 . 3.600 2.111 2.034 2.375 . 0 0 "[ . 1]" 1
442 2 13 DG H2' 2 13 DG H2'' 2.700 . 3.600 1.792 1.790 1.795 0.010 6 0 "[ . 1]" 1
443 2 13 DG H1' 2 14 DG H8 3.900 3.120 4.680 3.956 3.631 4.220 . 0 0 "[ . 1]" 1
444 2 13 DG H3' 2 14 DG H8 4.160 3.330 4.990 4.388 4.192 4.818 . 0 0 "[ . 1]" 1
445 2 13 DG H2'' 2 14 DG H8 2.700 . 3.600 2.099 1.883 2.263 . 0 0 "[ . 1]" 1
446 2 13 DG H2' 2 14 DG H1' 5.500 3.800 7.200 6.374 6.110 6.853 . 0 0 "[ . 1]" 1
447 2 13 DG H2' 2 14 DG H3' 5.500 3.800 7.200 6.219 5.794 6.576 . 0 0 "[ . 1]" 1
448 2 13 DG H2' 2 14 DG H8 3.290 2.630 3.950 2.803 2.606 3.134 0.024 6 0 "[ . 1]" 1
449 2 14 DG H1' 2 14 DG H3' 3.560 2.850 4.270 3.813 3.794 3.842 . 0 0 "[ . 1]" 1
450 2 14 DG H1' 2 14 DG H2'' 3.170 2.540 3.800 2.496 2.489 2.503 0.051 5 0 "[ . 1]" 1
451 2 14 DG H1' 2 14 DG H2' 2.910 2.330 3.490 3.036 3.032 3.040 . 0 0 "[ . 1]" 1
452 2 14 DG H1' 2 14 DG H8 3.900 3.120 4.680 3.914 3.905 3.922 . 0 0 "[ . 1]" 1
453 2 14 DG H2'' 2 14 DG H3' 2.700 . 3.600 2.666 2.620 2.728 . 0 0 "[ . 1]" 1
454 2 14 DG H2' 2 14 DG H3' 2.920 2.340 3.500 2.345 2.322 2.364 0.018 5 0 "[ . 1]" 1
455 2 14 DG H1' 2 14 DG H4' 3.220 2.580 3.860 3.013 2.791 3.173 . 0 0 "[ . 1]" 1
456 2 14 DG H3' 2 14 DG H4' 2.700 . 3.600 2.844 2.806 2.919 . 0 0 "[ . 1]" 1
457 2 14 DG H2'' 2 14 DG H4' 3.800 3.000 4.600 3.929 3.760 4.010 . 0 0 "[ . 1]" 1
458 2 14 DG H2' 2 14 DG H4' 3.800 3.000 4.600 3.843 3.818 3.876 . 0 0 "[ . 1]" 1
459 2 14 DG H3' 2 14 DG H8 3.720 2.980 4.460 4.391 4.224 4.470 0.010 4 0 "[ . 1]" 1
460 2 14 DG H2' 2 14 DG H8 2.700 . 3.600 2.436 2.395 2.475 . 0 0 "[ . 1]" 1
461 2 14 DG H2' 2 14 DG H2'' 2.700 . 3.600 1.791 1.790 1.792 0.010 9 0 "[ . 1]" 1
462 2 14 DG H4' 2 14 DG H8 4.470 3.580 5.360 4.932 4.857 5.016 . 0 0 "[ . 1]" 1
463 2 14 DG H2'' 2 14 DG H8 3.010 2.110 3.910 3.921 3.863 3.937 0.027 8 0 "[ . 1]" 1
464 2 14 DG H1' 2 15 DG H8 3.830 3.060 4.600 3.147 3.052 3.314 0.008 7 0 "[ . 1]" 1
465 2 14 DG H8 2 15 DG H8 5.110 4.090 6.130 4.732 4.433 5.021 . 0 0 "[ . 1]" 1
466 2 14 DG H2' 2 15 DG H8 3.210 2.570 3.850 3.577 3.230 3.846 . 0 0 "[ . 1]" 1
467 2 14 DG H1' 2 15 DG H3' 4.430 3.100 5.760 5.668 5.396 5.781 0.021 5 0 "[ . 1]" 1
468 2 14 DG H1' 2 15 DG H2' 4.080 2.860 5.300 5.259 5.066 5.326 0.026 1 0 "[ . 1]" 1
469 2 14 DG H3' 2 15 DG H8 4.830 3.860 5.800 5.059 4.918 5.201 . 0 0 "[ . 1]" 1
470 2 14 DG H1' 2 15 DG H1' 4.870 3.410 6.330 5.587 5.243 6.083 . 0 0 "[ . 1]" 1
471 2 15 DG H1' 2 15 DG H4' 3.650 2.920 4.380 3.125 2.893 3.628 0.027 2 0 "[ . 1]" 1
472 2 15 DG H1' 2 15 DG H8 4.720 3.780 5.660 3.876 3.852 3.922 . 0 0 "[ . 1]" 1
473 2 15 DG H1' 2 15 DG H2'' 2.700 . 3.600 2.184 2.132 2.234 . 0 0 "[ . 1]" 1
474 2 15 DG H1' 2 15 DG H2' 3.130 2.500 3.760 3.010 2.966 3.035 . 0 0 "[ . 1]" 1
475 2 15 DG H2'' 2 15 DG H3' 2.910 2.040 3.780 2.973 2.896 3.045 . 0 0 "[ . 1]" 1
476 2 15 DG H2' 2 15 DG H3' 2.700 . 3.600 2.312 2.274 2.358 . 0 0 "[ . 1]" 1
477 2 15 DG H3' 2 15 DG H8 4.270 3.420 5.120 4.231 3.872 4.606 . 0 0 "[ . 1]" 1
478 2 15 DG H3' 2 15 DG H4' 2.700 . 3.600 2.844 2.714 2.929 . 0 0 "[ . 1]" 1
479 2 15 DG H2' 2 15 DG H4' 3.800 3.000 4.600 3.876 3.812 3.939 . 0 0 "[ . 1]" 1
480 2 15 DG H2'' 2 15 DG H4' 3.800 3.000 4.600 3.935 3.742 4.137 . 0 0 "[ . 1]" 1
481 2 15 DG H4' 2 15 DG H8 3.800 3.000 4.600 4.635 4.475 4.713 0.113 5 0 "[ . 1]" 1
482 2 15 DG H2' 2 15 DG H2'' 2.700 . 3.600 1.791 1.788 1.793 0.012 3 0 "[ . 1]" 1
483 2 15 DG H2'' 2 15 DG H8 3.800 3.000 4.600 4.014 3.925 4.166 . 0 0 "[ . 1]" 1
484 2 15 DG H2' 2 15 DG H8 3.150 2.520 3.780 2.699 2.487 2.926 0.033 3 0 "[ . 1]" 1
485 2 15 DG H1' 2 15 DG H3' 3.670 2.940 4.400 3.884 3.775 3.997 . 0 0 "[ . 1]" 1
486 2 15 DG H1' 2 16 DT Q5' 3.920 3.140 5.200 3.351 2.558 4.031 0.582 5 1 "[ + 1]" 1
487 2 15 DG H3' 2 16 DT C7 5.500 3.800 7.700 5.442 3.794 6.644 0.006 2 0 "[ . 1]" 1
488 2 16 DT H1' 2 16 DT H4' 3.720 2.980 4.460 3.293 2.975 3.499 0.005 8 0 "[ . 1]" 1
489 2 16 DT H1' 2 16 DT Q5' 5.500 3.800 7.700 4.273 4.128 4.317 . 0 0 "[ . 1]" 1
490 2 16 DT C7 2 16 DT H1' 6.000 4.800 7.700 5.813 5.809 5.818 . 0 0 "[ . 1]" 1
491 2 16 DT H1' 2 16 DT H2' 3.510 2.810 4.210 3.014 3.007 3.024 . 0 0 "[ . 1]" 1
492 2 16 DT H1' 2 16 DT H2'' 2.970 2.380 3.560 2.367 2.359 2.375 0.021 10 0 "[ . 1]" 1
493 2 16 DT C7 2 16 DT H2' 3.920 2.740 5.600 4.526 4.486 4.620 . 0 0 "[ . 1]" 1
494 2 16 DT H1' 2 16 DT H6 3.980 2.790 5.170 3.712 3.706 3.717 . 0 0 "[ . 1]" 1
495 2 16 DT H2' 2 16 DT H6 2.940 2.060 3.820 2.247 2.164 2.388 . 0 0 "[ . 1]" 1
496 2 16 DT H2'' 2 16 DT H6 3.800 3.000 4.600 3.802 3.720 3.907 . 0 0 "[ . 1]" 1
497 2 16 DT H2' 2 16 DT H3' 2.700 . 3.600 2.319 2.300 2.335 . 0 0 "[ . 1]" 1
498 2 16 DT H2'' 2 16 DT H3' 2.960 2.070 3.850 2.769 2.737 2.810 . 0 0 "[ . 1]" 1
499 2 16 DT C7 2 16 DT H3' 4.430 3.100 6.260 6.309 6.294 6.318 0.058 2 0 "[ . 1]" 1
500 2 16 DT C7 2 16 DT H4' 4.500 . 7.700 6.895 6.766 7.104 . 0 0 "[ . 1]" 1
501 2 16 DT H2' 2 16 DT H2'' 2.400 . 2.880 1.808 1.807 1.809 0.113 10 0 "[ . 1]" 1
502 2 16 DT H4' 2 16 DT H6 4.500 . 7.200 4.351 4.234 4.565 . 0 0 "[ . 1]" 1
503 2 16 DT H3' 2 16 DT H4' 2.700 . 3.600 2.809 2.749 2.894 . 0 0 "[ . 1]" 1
504 2 16 DT H2' 2 16 DT H4' 3.800 3.000 4.600 3.898 3.883 3.917 . 0 0 "[ . 1]" 1
505 2 16 DT H2'' 2 16 DT H4' 3.800 3.000 4.600 3.953 3.813 4.032 . 0 0 "[ . 1]" 1
506 2 16 DT H3' 2 16 DT H6 3.760 3.010 4.510 3.767 3.747 3.785 . 0 0 "[ . 1]" 1
507 2 16 DT C7 2 16 DT H6 2.990 2.390 4.090 2.645 2.642 2.648 . 0 0 "[ . 1]" 1
508 2 16 DT H1' 2 16 DT H3' 4.130 3.300 4.960 3.919 3.879 3.949 . 0 0 "[ . 1]" 1
509 2 16 DT H2' 2 17 DG H2' 5.500 3.800 7.200 6.583 6.270 6.897 . 0 0 "[ . 1]" 1
510 2 16 DT H1' 2 17 DG H3' 5.500 3.800 7.200 5.351 3.970 6.827 . 0 0 "[ . 1]" 1
511 2 16 DT H2' 2 17 DG H3' 6.000 4.800 7.200 5.945 5.547 6.211 . 0 0 "[ . 1]" 1
512 2 16 DT H4' 2 17 DG H8 5.500 3.800 7.200 6.391 5.845 6.954 . 0 0 "[ . 1]" 1
513 2 16 DT H4' 2 17 DG H3' 3.800 3.000 4.600 3.166 2.960 3.666 0.040 5 0 "[ . 1]" 1
514 2 17 DG H1' 2 17 DG H8 3.800 3.000 4.600 3.898 3.886 3.914 . 0 0 "[ . 1]" 1
515 2 17 DG H2' 2 17 DG H8 2.910 2.040 3.780 2.732 2.590 2.845 . 0 0 "[ . 1]" 1
516 2 17 DG H2'' 2 17 DG H8 3.800 3.000 4.600 4.007 3.867 4.120 . 0 0 "[ . 1]" 1
517 2 17 DG H2' 2 17 DG H3' 3.030 2.420 3.640 2.364 2.354 2.376 0.066 7 0 "[ . 1]" 1
518 2 17 DG H2'' 2 17 DG H3' 3.060 2.140 3.980 2.978 2.914 3.011 . 0 0 "[ . 1]" 1
519 2 17 DG H2' 2 17 DG H2'' 2.570 . 3.340 1.795 1.794 1.797 0.006 10 0 "[ . 1]" 1
520 2 17 DG H4' 2 17 DG H8 5.500 3.800 7.200 4.612 4.326 4.868 . 0 0 "[ . 1]" 1
521 2 17 DG H3' 2 17 DG H4' 2.700 . 3.600 2.783 2.712 2.856 . 0 0 "[ . 1]" 1
522 2 17 DG H1' 2 17 DG H4' 3.800 3.000 4.600 3.297 2.996 3.593 0.004 9 0 "[ . 1]" 1
523 2 17 DG H2'' 2 17 DG H4' 3.800 3.000 4.600 4.062 3.960 4.152 . 0 0 "[ . 1]" 1
524 2 17 DG H2' 2 17 DG H4' 3.900 2.730 5.070 3.863 3.843 3.883 . 0 0 "[ . 1]" 1
525 2 17 DG H1' 2 17 DG H3' 3.800 3.000 4.600 3.877 3.826 3.941 . 0 0 "[ . 1]" 1
526 2 17 DG H3' 2 17 DG H8 3.680 2.940 4.420 4.415 4.257 4.455 0.035 3 0 "[ . 1]" 1
527 2 17 DG H1' 2 17 DG H2' 2.700 . 3.600 3.017 3.001 3.026 . 0 0 "[ . 1]" 1
528 2 17 DG H1' 2 17 DG H2'' 2.700 . 3.600 2.146 2.082 2.195 . 0 0 "[ . 1]" 1
529 2 17 DG H1' 2 18 DG H3' 4.940 3.950 5.930 5.828 5.476 5.944 0.014 9 0 "[ . 1]" 1
530 2 17 DG H1' 2 18 DG H8 3.800 3.000 4.600 3.783 3.515 4.012 . 0 0 "[ . 1]" 1
531 2 17 DG H2' 2 18 DG H1' 5.500 3.800 7.200 6.718 6.339 7.196 . 0 0 "[ . 1]" 1
532 2 17 DG H2'' 2 18 DG H1' 5.500 3.800 7.200 5.122 4.843 5.481 . 0 0 "[ . 1]" 1
533 2 18 DG H1' 2 18 DG H3' 3.920 3.140 4.700 3.776 3.743 3.803 . 0 0 "[ . 1]" 1
534 2 18 DG H1' 2 18 DG H8 3.800 3.000 4.600 3.908 3.899 3.916 . 0 0 "[ . 1]" 1
535 2 18 DG H2'' 2 18 DG H8 3.030 2.120 3.940 3.763 3.608 3.833 . 0 0 "[ . 1]" 1
536 2 18 DG H2' 2 18 DG H8 2.940 2.060 3.820 2.335 2.267 2.432 . 0 0 "[ . 1]" 1
537 2 18 DG H1' 2 18 DG H2'' 2.980 2.380 3.580 2.479 2.370 2.531 0.010 7 0 "[ . 1]" 1
538 2 18 DG H1' 2 18 DG H2' 3.120 2.180 4.060 3.035 3.030 3.037 . 0 0 "[ . 1]" 1
539 2 18 DG H2'' 2 18 DG H3' 3.250 2.600 3.900 2.656 2.577 2.804 0.023 2 0 "[ . 1]" 1
540 2 18 DG H2' 2 18 DG H3' 3.030 2.420 3.640 2.361 2.344 2.373 0.076 1 0 "[ . 1]" 1
541 2 18 DG H2' 2 18 DG H2'' 2.700 . 3.600 1.797 1.795 1.801 0.005 8 0 "[ . 1]" 1
542 2 18 DG H3' 2 18 DG H8 3.900 3.120 4.680 4.446 4.365 4.533 . 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 48
_Distance_constraint_stats_list.Viol_count 221
_Distance_constraint_stats_list.Viol_total 46.190
_Distance_constraint_stats_list.Viol_max 0.083
_Distance_constraint_stats_list.Viol_rms 0.0153
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0096
_Distance_constraint_stats_list.Viol_average_violations_only 0.0209
_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
2 3 DG 0.606 0.050 6 0 "[ . 1]"
2 5 DG 0.971 0.064 1 0 "[ . 1]"
2 6 DG 0.501 0.039 7 0 "[ . 1]"
2 7 DG 0.760 0.065 8 0 "[ . 1]"
2 9 DG 0.852 0.071 8 0 "[ . 1]"
2 10 DG 0.453 0.047 9 0 "[ . 1]"
2 11 DG 0.879 0.083 7 0 "[ . 1]"
2 13 DG 0.847 0.071 8 0 "[ . 1]"
2 14 DG 0.816 0.060 10 0 "[ . 1]"
2 15 DG 0.726 0.083 7 0 "[ . 1]"
2 17 DG 0.965 0.064 1 0 "[ . 1]"
2 18 DG 0.863 0.060 10 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 2 3 DG H21 2 7 DG N7 1.990 . 2.090 1.885 1.840 1.936 0.050 6 0 "[ . 1]" 2
2 2 3 DG N2 2 7 DG N7 2.900 2.800 3.000 2.879 2.833 2.923 . 0 0 "[ . 1]" 2
3 2 3 DG H1 2 7 DG O6 1.950 . 2.050 1.987 1.854 2.079 0.029 6 0 "[ . 1]" 2
4 2 3 DG N1 2 7 DG O6 2.950 2.850 3.050 2.926 2.824 3.037 0.026 3 0 "[ . 1]" 2
5 2 7 DG H21 2 11 DG N7 1.990 . 2.090 1.846 1.825 1.873 0.065 8 0 "[ . 1]" 2
6 2 7 DG N2 2 11 DG N7 2.900 2.800 3.000 2.814 2.766 2.851 0.034 10 0 "[ . 1]" 2
7 2 7 DG H1 2 11 DG O6 1.950 . 2.050 1.963 1.863 2.050 . 0 0 "[ . 1]" 2
8 2 7 DG N1 2 11 DG O6 2.950 2.850 3.050 2.925 2.846 3.042 0.004 2 0 "[ . 1]" 2
9 2 11 DG H21 2 15 DG N7 1.990 . 2.090 1.858 1.807 1.886 0.083 7 0 "[ . 1]" 2
10 2 11 DG N2 2 15 DG N7 2.900 2.800 3.000 2.859 2.800 2.894 0.000 7 0 "[ . 1]" 2
11 2 11 DG H1 2 15 DG O6 1.950 . 2.050 2.009 1.927 2.073 0.023 4 0 "[ . 1]" 2
12 2 11 DG N1 2 15 DG O6 2.950 2.850 3.050 2.912 2.849 2.966 0.001 9 0 "[ . 1]" 2
13 2 3 DG N7 2 15 DG H21 1.990 . 2.090 1.961 1.883 2.063 0.007 7 0 "[ . 1]" 2
14 2 3 DG N7 2 15 DG N2 2.900 2.800 3.000 2.924 2.843 3.006 0.006 3 0 "[ . 1]" 2
15 2 3 DG O6 2 15 DG H1 1.950 . 2.050 1.841 1.828 1.845 0.022 8 0 "[ . 1]" 2
16 2 3 DG O6 2 15 DG N1 2.950 2.850 3.050 2.825 2.807 2.840 0.043 6 0 "[ . 1]" 2
17 2 6 DG N7 2 18 DG H21 1.990 . 2.090 1.867 1.851 1.885 0.039 7 0 "[ . 1]" 2
18 2 6 DG N7 2 18 DG N2 2.900 2.800 3.000 2.846 2.817 2.870 . 0 0 "[ . 1]" 2
19 2 6 DG O6 2 18 DG H1 1.950 . 2.050 1.894 1.835 2.043 0.015 8 0 "[ . 1]" 2
20 2 6 DG O6 2 18 DG N1 2.950 2.850 3.050 2.868 2.827 2.995 0.023 1 0 "[ . 1]" 2
21 2 6 DG H21 2 10 DG N7 1.990 . 2.090 1.927 1.868 2.015 0.022 2 0 "[ . 1]" 2
22 2 6 DG N2 2 10 DG N7 2.900 2.800 3.000 2.926 2.868 3.022 0.022 8 0 "[ . 1]" 2
23 2 6 DG H1 2 10 DG O6 1.950 . 2.050 1.979 1.855 2.059 0.009 8 0 "[ . 1]" 2
24 2 6 DG N1 2 10 DG O6 2.950 2.850 3.050 2.914 2.830 2.966 0.020 6 0 "[ . 1]" 2
25 2 10 DG H21 2 14 DG N7 1.990 . 2.090 1.869 1.843 1.920 0.047 9 0 "[ . 1]" 2
26 2 10 DG N2 2 14 DG N7 2.900 2.800 3.000 2.841 2.799 2.921 0.001 8 0 "[ . 1]" 2
27 2 10 DG H1 2 14 DG O6 1.950 . 2.050 1.910 1.845 2.033 0.005 3 0 "[ . 1]" 2
28 2 10 DG N1 2 14 DG O6 2.950 2.850 3.050 2.885 2.827 2.992 0.023 7 0 "[ . 1]" 2
29 2 14 DG H21 2 18 DG N7 1.990 . 2.090 1.848 1.830 1.868 0.060 10 0 "[ . 1]" 2
30 2 14 DG N2 2 18 DG N7 2.900 2.800 3.000 2.815 2.796 2.845 0.004 5 0 "[ . 1]" 2
31 2 14 DG H1 2 18 DG O6 1.950 . 2.050 1.954 1.851 2.059 0.009 8 0 "[ . 1]" 2
32 2 14 DG N1 2 18 DG O6 2.950 2.850 3.050 2.872 2.833 2.942 0.017 3 0 "[ . 1]" 2
33 2 5 DG N7 2 17 DG H21 1.990 . 2.090 1.848 1.826 1.867 0.064 1 0 "[ . 1]" 2
34 2 5 DG N7 2 17 DG N2 2.900 2.800 3.000 2.834 2.788 2.869 0.012 3 0 "[ . 1]" 2
35 2 5 DG O6 2 17 DG H1 1.950 . 2.050 1.955 1.848 2.077 0.027 3 0 "[ . 1]" 2
36 2 5 DG O6 2 17 DG N1 2.950 2.850 3.050 2.909 2.828 3.008 0.022 8 0 "[ . 1]" 2
37 2 5 DG H21 2 9 DG N7 1.990 . 2.090 1.864 1.831 1.919 0.059 1 0 "[ . 1]" 2
38 2 5 DG N2 2 9 DG N7 2.900 2.800 3.000 2.847 2.815 2.893 . 0 0 "[ . 1]" 2
39 2 5 DG H1 2 9 DG O6 1.950 . 2.050 1.891 1.843 2.059 0.009 1 0 "[ . 1]" 2
40 2 5 DG N1 2 9 DG O6 2.950 2.850 3.050 2.854 2.827 2.957 0.023 9 0 "[ . 1]" 2
41 2 9 DG H21 2 13 DG N7 1.990 . 2.090 1.857 1.819 1.891 0.071 8 0 "[ . 1]" 2
42 2 9 DG N2 2 13 DG N7 2.900 2.800 3.000 2.851 2.794 2.879 0.006 4 0 "[ . 1]" 2
43 2 9 DG H1 2 13 DG O6 1.950 . 2.050 1.919 1.845 2.069 0.019 8 0 "[ . 1]" 2
44 2 9 DG N1 2 13 DG O6 2.950 2.850 3.050 2.864 2.826 2.989 0.024 6 0 "[ . 1]" 2
45 2 13 DG H21 2 17 DG N7 1.990 . 2.090 1.872 1.855 1.887 0.035 1 0 "[ . 1]" 2
46 2 13 DG N2 2 17 DG N7 2.900 2.800 3.000 2.856 2.836 2.871 . 0 0 "[ . 1]" 2
47 2 13 DG H1 2 17 DG O6 1.950 . 2.050 1.853 1.838 1.892 0.012 5 0 "[ . 1]" 2
48 2 13 DG N1 2 17 DG O6 2.950 2.850 3.050 2.832 2.820 2.850 0.030 5 0 "[ . 1]" 2
stop_
save_
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