NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
377346 |
1g80   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1g80
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 474
_Distance_constraint_stats_list.Viol_count 1738
_Distance_constraint_stats_list.Viol_total 1467.243
_Distance_constraint_stats_list.Viol_max 0.125
_Distance_constraint_stats_list.Viol_rms 0.0215
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0077
_Distance_constraint_stats_list.Viol_average_violations_only 0.0422
_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 DG 2.738 0.067 3 0 "[ . 1 . 2]"
1 2 DC 8.225 0.104 10 0 "[ . 1 . 2]"
1 3 DG 8.678 0.116 13 0 "[ . 1 . 2]"
1 4 DT 7.319 0.116 13 0 "[ . 1 . 2]"
1 5 DA 6.358 0.098 5 0 "[ . 1 . 2]"
1 6 DC 13.788 0.124 16 0 "[ . 1 . 2]"
1 7 DG 10.010 0.124 16 0 "[ . 1 . 2]"
1 8 DC 1.514 0.046 9 0 "[ . 1 . 2]"
2 1 DG 2.760 0.068 14 0 "[ . 1 . 2]"
2 2 DC 8.235 0.104 12 0 "[ . 1 . 2]"
2 3 DG 8.690 0.115 13 0 "[ . 1 . 2]"
2 4 DT 7.316 0.115 13 0 "[ . 1 . 2]"
2 5 DA 6.351 0.098 5 0 "[ . 1 . 2]"
2 6 DC 13.791 0.125 10 0 "[ . 1 . 2]"
2 7 DG 10.008 0.125 10 0 "[ . 1 . 2]"
2 8 DC 1.510 0.046 2 0 "[ . 1 . 2]"
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 DA H1' 1 5 DA H2'' 2.750 . 2.750 2.503 2.501 2.507 . 0 0 "[ . 1 . 2]" 1
2 1 5 DA H1' 1 5 DA H2' 3.880 2.430 3.880 3.068 3.068 3.069 . 0 0 "[ . 1 . 2]" 1
3 1 5 DA H1' 1 5 DA H3' 4.740 3.310 4.740 3.829 3.826 3.831 . 0 0 "[ . 1 . 2]" 1
4 1 5 DA H1' 1 5 DA H4' 3.350 2.485 3.350 2.896 2.875 2.904 . 0 0 "[ . 1 . 2]" 1
5 1 5 DA H1' 1 6 DC H1' 4.350 3.355 4.350 4.377 4.376 4.379 0.029 5 0 "[ . 1 . 2]" 1
6 1 5 DA H1' 1 6 DC H2' 6.970 3.850 6.970 5.286 5.281 5.297 . 0 0 "[ . 1 . 2]" 1
7 1 5 DA H1' 1 6 DC H3' 6.070 3.490 6.070 5.077 5.074 5.085 . 0 0 "[ . 1 . 2]" 1
8 1 5 DA H1' 1 6 DC H5 5.700 3.820 5.700 5.018 5.010 5.037 . 0 0 "[ . 1 . 2]" 1
9 1 4 DT H1' 1 5 DA H1' 5.340 3.700 5.340 5.386 5.385 5.389 0.049 5 0 "[ . 1 . 2]" 1
10 1 5 DA H1' 1 5 DA H2 6.960 3.700 6.960 4.639 4.637 4.640 . 0 0 "[ . 1 . 2]" 1
11 1 5 DA H2 2 5 DA H4' 6.960 3.710 6.960 5.414 5.353 5.431 . 0 0 "[ . 1 . 2]" 1
12 1 5 DA H2 1 6 DC H1' 5.410 3.610 5.410 3.597 3.595 3.598 0.015 13 0 "[ . 1 . 2]" 1
13 1 5 DA H2 1 6 DC H5' 6.780 4.580 6.780 5.723 5.709 5.730 . 0 0 "[ . 1 . 2]" 1
14 1 5 DA H2 2 4 DT H1' 5.670 3.980 5.670 5.249 5.239 5.255 . 0 0 "[ . 1 . 2]" 1
15 1 5 DA H2'' 1 6 DC H2' 4.470 3.220 4.470 4.200 4.180 4.209 . 0 0 "[ . 1 . 2]" 1
16 1 5 DA H2'' 1 5 DA H3' 3.660 2.380 3.660 2.758 2.756 2.759 . 0 0 "[ . 1 . 2]" 1
17 1 5 DA H2' 1 5 DA H3' 2.700 . 2.700 2.306 2.304 2.309 . 0 0 "[ . 1 . 2]" 1
18 1 5 DA H3' 1 5 DA H4' 3.000 2.205 3.000 2.891 2.888 2.896 . 0 0 "[ . 1 . 2]" 1
19 1 5 DA H3' 1 5 DA H5'' 3.200 2.385 3.200 2.568 2.563 2.584 . 0 0 "[ . 1 . 2]" 1
20 1 4 DT H2'' 1 5 DA H3' 5.070 3.340 5.070 4.685 4.627 4.703 . 0 0 "[ . 1 . 2]" 1
21 1 5 DA H2'' 1 5 DA H4' 4.940 3.370 4.940 3.953 3.945 3.956 . 0 0 "[ . 1 . 2]" 1
22 1 5 DA H2' 1 5 DA H4' 5.040 3.190 5.040 3.808 3.807 3.809 . 0 0 "[ . 1 . 2]" 1
23 1 5 DA H4' 1 5 DA H5' 2.520 . 2.520 2.477 2.475 2.483 . 0 0 "[ . 1 . 2]" 1
24 1 5 DA H4' 1 5 DA H5'' 2.840 . 2.840 2.420 2.415 2.422 . 0 0 "[ . 1 . 2]" 1
25 1 4 DT H2'' 1 5 DA H4' 5.700 2.940 5.700 4.909 4.876 4.923 . 0 0 "[ . 1 . 2]" 1
26 1 4 DT H2'' 1 5 DA H5' 5.850 . 5.850 3.355 3.331 3.365 . 0 0 "[ . 1 . 2]" 1
27 1 4 DT H2'' 1 5 DA H5'' 4.440 2.430 4.440 4.404 4.381 4.412 . 0 0 "[ . 1 . 2]" 1
28 1 5 DA H1' 1 5 DA H8 4.870 3.290 4.870 3.808 3.807 3.809 . 0 0 "[ . 1 . 2]" 1
29 1 5 DA H2'' 1 5 DA H8 5.600 2.890 5.600 3.504 3.501 3.506 . 0 0 "[ . 1 . 2]" 1
30 1 5 DA H2' 1 5 DA H8 2.790 . 2.790 2.176 2.174 2.179 . 0 0 "[ . 1 . 2]" 1
31 1 5 DA H3' 1 5 DA H8 5.720 3.470 5.720 4.233 4.229 4.243 . 0 0 "[ . 1 . 2]" 1
32 1 5 DA H4' 1 5 DA H8 5.740 3.960 5.740 4.915 4.912 4.919 . 0 0 "[ . 1 . 2]" 1
33 1 5 DA H5' 1 5 DA H8 4.940 3.290 4.940 4.662 4.655 4.684 . 0 0 "[ . 1 . 2]" 1
34 1 5 DA H5'' 1 5 DA H8 5.520 3.630 5.520 5.266 5.256 5.302 . 0 0 "[ . 1 . 2]" 1
35 1 5 DA H8 1 6 DC H5 5.230 3.070 5.230 3.286 3.263 3.302 . 0 0 "[ . 1 . 2]" 1
36 1 5 DA H8 1 6 DC H5' 5.830 4.320 5.830 5.926 5.924 5.928 0.098 5 0 "[ . 1 . 2]" 1
37 1 5 DA H8 1 6 DC H6 6.350 3.740 6.350 4.289 4.258 4.308 . 0 0 "[ . 1 . 2]" 1
38 1 4 DT H1' 1 5 DA H8 4.830 3.170 4.830 4.291 4.278 4.297 . 0 0 "[ . 1 . 2]" 1
39 1 4 DT H2'' 1 5 DA H8 3.530 2.645 3.530 2.610 2.609 2.611 0.036 10 0 "[ . 1 . 2]" 1
40 1 4 DT H2' 1 5 DA H8 5.380 3.470 5.380 3.755 3.718 3.767 . 0 0 "[ . 1 . 2]" 1
41 1 4 DT H3' 1 5 DA H8 5.250 3.930 5.250 5.255 5.253 5.255 0.005 10 0 "[ . 1 . 2]" 1
42 1 4 DT H6 1 5 DA H8 5.090 3.820 5.090 5.075 5.005 5.091 0.001 12 0 "[ . 1 . 2]" 1
43 2 5 DA H1' 2 5 DA H2'' 2.750 . 2.750 2.503 2.501 2.507 . 0 0 "[ . 1 . 2]" 1
44 2 5 DA H1' 2 5 DA H2' 3.880 2.430 3.880 3.068 3.067 3.069 . 0 0 "[ . 1 . 2]" 1
45 2 5 DA H1' 2 5 DA H3' 4.740 3.310 4.740 3.829 3.826 3.831 . 0 0 "[ . 1 . 2]" 1
46 2 5 DA H1' 2 5 DA H4' 3.350 2.485 3.350 2.895 2.861 2.904 . 0 0 "[ . 1 . 2]" 1
47 2 5 DA H1' 2 6 DC H1' 4.350 3.355 4.350 4.377 4.376 4.380 0.030 5 0 "[ . 1 . 2]" 1
48 2 5 DA H1' 2 6 DC H2' 6.970 3.850 6.970 5.286 5.281 5.298 . 0 0 "[ . 1 . 2]" 1
49 2 5 DA H1' 2 6 DC H3' 6.070 3.490 6.070 5.077 5.073 5.088 . 0 0 "[ . 1 . 2]" 1
50 2 5 DA H1' 2 6 DC H5 5.700 3.820 5.700 5.017 5.010 5.031 . 0 0 "[ . 1 . 2]" 1
51 2 4 DT H1' 2 5 DA H1' 5.340 3.700 5.340 5.386 5.385 5.388 0.048 13 0 "[ . 1 . 2]" 1
52 1 5 DA H4' 2 5 DA H2 6.960 3.700 6.960 5.416 5.385 5.434 . 0 0 "[ . 1 . 2]" 1
53 2 5 DA H1' 2 5 DA H2 6.960 3.710 6.960 4.639 4.637 4.640 . 0 0 "[ . 1 . 2]" 1
54 2 5 DA H2 2 6 DC H1' 5.410 3.610 5.410 3.597 3.595 3.598 0.015 5 0 "[ . 1 . 2]" 1
55 2 5 DA H2 2 6 DC H5' 6.780 4.580 6.780 5.724 5.713 5.729 . 0 0 "[ . 1 . 2]" 1
56 1 4 DT H1' 2 5 DA H2 5.670 3.980 5.670 5.249 5.238 5.254 . 0 0 "[ . 1 . 2]" 1
57 2 5 DA H2'' 2 6 DC H2' 4.470 3.220 4.470 4.201 4.189 4.207 . 0 0 "[ . 1 . 2]" 1
58 2 5 DA H2'' 2 5 DA H3' 3.660 2.380 3.660 2.758 2.756 2.759 . 0 0 "[ . 1 . 2]" 1
59 2 5 DA H2' 2 5 DA H3' 2.700 . 2.700 2.306 2.304 2.309 . 0 0 "[ . 1 . 2]" 1
60 2 5 DA H3' 2 5 DA H4' 3.000 2.205 3.000 2.891 2.888 2.900 . 0 0 "[ . 1 . 2]" 1
61 2 5 DA H3' 2 5 DA H5'' 3.200 2.385 3.200 2.569 2.564 2.593 . 0 0 "[ . 1 . 2]" 1
62 2 4 DT H2'' 2 5 DA H3' 5.070 3.340 5.070 4.684 4.599 4.703 . 0 0 "[ . 1 . 2]" 1
63 2 5 DA H2'' 2 5 DA H4' 4.940 3.370 4.940 3.953 3.939 3.957 . 0 0 "[ . 1 . 2]" 1
64 2 5 DA H2' 2 5 DA H4' 5.040 3.190 5.040 3.808 3.807 3.809 . 0 0 "[ . 1 . 2]" 1
65 2 5 DA H4' 2 5 DA H5' 2.520 . 2.520 2.477 2.476 2.483 . 0 0 "[ . 1 . 2]" 1
66 2 5 DA H4' 2 5 DA H5'' 2.840 . 2.840 2.420 2.414 2.422 . 0 0 "[ . 1 . 2]" 1
67 2 4 DT H2'' 2 5 DA H4' 5.700 2.940 5.700 4.907 4.855 4.925 . 0 0 "[ . 1 . 2]" 1
68 2 4 DT H2'' 2 5 DA H5' 5.850 . 5.850 3.353 3.318 3.364 . 0 0 "[ . 1 . 2]" 1
69 2 4 DT H2'' 2 5 DA H5'' 4.440 2.430 4.440 4.403 4.370 4.411 . 0 0 "[ . 1 . 2]" 1
70 2 5 DA H1' 2 5 DA H8 4.870 3.290 4.870 3.808 3.806 3.810 . 0 0 "[ . 1 . 2]" 1
71 2 5 DA H2'' 2 5 DA H8 5.600 2.890 5.600 3.505 3.500 3.508 . 0 0 "[ . 1 . 2]" 1
72 2 5 DA H2' 2 5 DA H8 2.790 . 2.790 2.176 2.174 2.181 . 0 0 "[ . 1 . 2]" 1
73 2 5 DA H3' 2 5 DA H8 5.720 3.470 5.720 4.233 4.230 4.241 . 0 0 "[ . 1 . 2]" 1
74 2 5 DA H4' 2 5 DA H8 5.740 3.960 5.740 4.915 4.912 4.920 . 0 0 "[ . 1 . 2]" 1
75 2 5 DA H5' 2 5 DA H8 4.940 3.290 4.940 4.663 4.653 4.688 . 0 0 "[ . 1 . 2]" 1
76 2 5 DA H5'' 2 5 DA H8 5.520 3.630 5.520 5.267 5.256 5.315 . 0 0 "[ . 1 . 2]" 1
77 2 5 DA H8 2 6 DC H5 5.230 3.070 5.230 3.287 3.267 3.299 . 0 0 "[ . 1 . 2]" 1
78 2 5 DA H8 2 6 DC H5' 5.830 4.320 5.830 5.926 5.925 5.928 0.098 5 0 "[ . 1 . 2]" 1
79 2 5 DA H8 2 6 DC H6 6.350 3.740 6.350 4.290 4.265 4.305 . 0 0 "[ . 1 . 2]" 1
80 2 4 DT H1' 2 5 DA H8 4.830 3.170 4.830 4.292 4.282 4.300 . 0 0 "[ . 1 . 2]" 1
81 2 4 DT H2'' 2 5 DA H8 3.530 2.645 3.530 2.610 2.608 2.613 0.037 19 0 "[ . 1 . 2]" 1
82 2 4 DT H2' 2 5 DA H8 5.380 3.470 5.380 3.755 3.704 3.767 . 0 0 "[ . 1 . 2]" 1
83 2 4 DT H3' 2 5 DA H8 5.250 3.930 5.250 5.255 5.254 5.256 0.006 15 0 "[ . 1 . 2]" 1
84 2 4 DT H6 2 5 DA H8 5.090 3.820 5.090 5.074 4.981 5.091 0.001 4 0 "[ . 1 . 2]" 1
85 1 2 DC H1' 1 2 DC H2'' 2.830 . 2.830 2.357 2.356 2.358 . 0 0 "[ . 1 . 2]" 1
86 1 2 DC H1' 1 2 DC H2' 4.130 2.320 4.130 3.055 3.054 3.055 . 0 0 "[ . 1 . 2]" 1
87 1 2 DC H1' 1 2 DC H3' 4.450 3.020 4.450 3.787 3.785 3.788 . 0 0 "[ . 1 . 2]" 1
88 1 2 DC H1' 1 2 DC H4' 3.280 2.465 3.280 3.283 3.282 3.284 0.004 1 0 "[ . 1 . 2]" 1
89 1 2 DC H1' 1 3 DG H2' 4.740 2.920 4.740 4.777 4.775 4.778 0.038 13 0 "[ . 1 . 2]" 1
90 1 2 DC H1' 1 3 DG H3' 6.240 2.580 6.240 5.118 5.115 5.121 . 0 0 "[ . 1 . 2]" 1
91 1 2 DC H1' 1 3 DG H4' 4.910 2.330 4.910 4.253 4.246 4.263 . 0 0 "[ . 1 . 2]" 1
92 1 2 DC H1' 1 3 DG H5'' 7.030 2.780 7.030 4.157 4.151 4.160 . 0 0 "[ . 1 . 2]" 1
93 1 2 DC H2' 1 2 DC H2'' 2.410 . 2.410 1.725 1.725 1.726 . 0 0 "[ . 1 . 2]" 1
94 1 2 DC H2'' 1 2 DC H3' 3.400 2.180 3.400 2.653 2.652 2.654 . 0 0 "[ . 1 . 2]" 1
95 1 2 DC H2' 1 2 DC H3' 3.050 . 3.050 2.232 2.231 2.234 . 0 0 "[ . 1 . 2]" 1
96 1 2 DC H3' 1 2 DC H4' 2.960 2.165 2.960 2.798 2.797 2.799 . 0 0 "[ . 1 . 2]" 1
97 1 2 DC H3' 1 2 DC H5'' 2.560 . 2.560 2.343 2.342 2.344 . 0 0 "[ . 1 . 2]" 1
98 1 2 DC H2'' 1 2 DC H4' 4.860 3.330 4.860 4.036 4.035 4.037 . 0 0 "[ . 1 . 2]" 1
99 1 2 DC H2' 1 2 DC H4' 5.060 3.410 5.060 3.783 3.782 3.784 . 0 0 "[ . 1 . 2]" 1
100 1 2 DC H2'' 1 2 DC H5 5.080 2.960 5.080 5.137 5.136 5.138 0.058 8 0 "[ . 1 . 2]" 1
101 1 2 DC H2' 1 2 DC H5 5.450 3.320 5.450 3.988 3.986 3.990 . 0 0 "[ . 1 . 2]" 1
102 1 2 DC H3' 1 2 DC H5 5.970 3.750 5.970 6.043 6.042 6.045 0.075 5 0 "[ . 1 . 2]" 1
103 1 2 DC H5 1 2 DC H5' 5.590 3.270 5.590 5.629 5.628 5.630 0.040 18 0 "[ . 1 . 2]" 1
104 1 1 DG H2'' 1 2 DC H5 3.980 2.745 3.980 2.718 2.717 2.719 0.028 13 0 "[ . 1 . 2]" 1
105 1 1 DG H2' 1 2 DC H5 3.950 2.815 3.950 3.706 3.676 3.726 . 0 0 "[ . 1 . 2]" 1
106 1 1 DG H3' 1 2 DC H5 6.580 4.040 6.580 5.374 5.364 5.382 . 0 0 "[ . 1 . 2]" 1
107 1 2 DC H2'' 1 2 DC H5'' 4.520 2.630 4.520 4.624 4.623 4.624 0.104 10 0 "[ . 1 . 2]" 1
108 1 2 DC H2' 1 2 DC H5'' 4.930 2.420 4.930 3.659 3.657 3.661 . 0 0 "[ . 1 . 2]" 1
109 1 2 DC H1' 1 2 DC H6 5.470 2.330 5.470 3.719 3.717 3.720 . 0 0 "[ . 1 . 2]" 1
110 1 2 DC H2'' 1 2 DC H6 5.470 2.330 5.470 3.493 3.491 3.498 . 0 0 "[ . 1 . 2]" 1
111 1 2 DC H2' 1 2 DC H6 2.710 . 2.710 2.090 2.088 2.094 . 0 0 "[ . 1 . 2]" 1
112 1 2 DC H3' 1 2 DC H6 5.010 2.620 5.010 3.897 3.895 3.898 . 0 0 "[ . 1 . 2]" 1
113 1 2 DC H4' 1 2 DC H6 5.110 3.680 5.110 4.427 4.421 4.430 . 0 0 "[ . 1 . 2]" 1
114 1 2 DC H5 1 2 DC H6 2.800 . 2.800 2.275 2.274 2.278 . 0 0 "[ . 1 . 2]" 1
115 1 2 DC H5' 1 2 DC H6 6.070 2.150 6.070 3.627 3.622 3.631 . 0 0 "[ . 1 . 2]" 1
116 1 2 DC H5'' 1 2 DC H6 4.810 2.750 4.810 4.238 4.236 4.241 . 0 0 "[ . 1 . 2]" 1
117 1 1 DG H1' 1 2 DC H6 3.510 2.375 3.510 3.112 3.056 3.200 . 0 0 "[ . 1 . 2]" 1
118 1 1 DG H2'' 1 2 DC H6 3.090 2.255 3.090 2.532 2.484 2.563 . 0 0 "[ . 1 . 2]" 1
119 1 1 DG H2' 1 2 DC H6 5.140 2.830 5.140 4.203 4.161 4.228 . 0 0 "[ . 1 . 2]" 1
120 1 1 DG H3' 1 2 DC H6 5.480 3.290 5.480 4.991 4.980 4.997 . 0 0 "[ . 1 . 2]" 1
121 2 2 DC H1' 2 2 DC H2'' 2.830 . 2.830 2.357 2.356 2.358 . 0 0 "[ . 1 . 2]" 1
122 2 2 DC H1' 2 2 DC H2' 4.130 2.320 4.130 3.055 3.054 3.056 . 0 0 "[ . 1 . 2]" 1
123 2 2 DC H1' 2 2 DC H3' 4.450 3.020 4.450 3.787 3.785 3.788 . 0 0 "[ . 1 . 2]" 1
124 2 2 DC H1' 2 2 DC H4' 3.280 2.465 3.280 3.283 3.282 3.284 0.004 9 0 "[ . 1 . 2]" 1
125 2 2 DC H1' 2 3 DG H2' 4.740 2.920 4.740 4.777 4.776 4.778 0.038 6 0 "[ . 1 . 2]" 1
126 2 2 DC H1' 2 3 DG H3' 6.240 2.580 6.240 5.118 5.115 5.120 . 0 0 "[ . 1 . 2]" 1
127 2 2 DC H1' 2 3 DG H4' 4.910 2.330 4.910 4.255 4.248 4.269 . 0 0 "[ . 1 . 2]" 1
128 2 2 DC H1' 2 3 DG H5'' 7.030 2.780 7.030 4.158 4.153 4.162 . 0 0 "[ . 1 . 2]" 1
129 2 2 DC H2' 2 2 DC H2'' 2.410 . 2.410 1.725 1.725 1.726 . 0 0 "[ . 1 . 2]" 1
130 2 2 DC H2'' 2 2 DC H3' 3.400 2.180 3.400 2.653 2.651 2.654 . 0 0 "[ . 1 . 2]" 1
131 2 2 DC H2' 2 2 DC H3' 3.050 . 3.050 2.232 2.231 2.234 . 0 0 "[ . 1 . 2]" 1
132 2 2 DC H3' 2 2 DC H4' 2.960 2.165 2.960 2.798 2.797 2.799 . 0 0 "[ . 1 . 2]" 1
133 2 2 DC H3' 2 2 DC H5'' 2.560 . 2.560 2.343 2.342 2.344 . 0 0 "[ . 1 . 2]" 1
134 2 2 DC H2'' 2 2 DC H4' 4.860 3.330 4.860 4.036 4.035 4.037 . 0 0 "[ . 1 . 2]" 1
135 2 2 DC H2' 2 2 DC H4' 5.060 3.410 5.060 3.783 3.783 3.784 . 0 0 "[ . 1 . 2]" 1
136 2 2 DC H2'' 2 2 DC H5 5.080 2.960 5.080 5.137 5.136 5.138 0.058 16 0 "[ . 1 . 2]" 1
137 2 2 DC H2' 2 2 DC H5 5.450 3.320 5.450 3.988 3.986 3.991 . 0 0 "[ . 1 . 2]" 1
138 2 2 DC H3' 2 2 DC H5 5.970 3.750 5.970 6.043 6.042 6.045 0.075 5 0 "[ . 1 . 2]" 1
139 2 2 DC H5 2 2 DC H5' 5.590 3.270 5.590 5.629 5.628 5.629 0.039 11 0 "[ . 1 . 2]" 1
140 2 1 DG H2'' 2 2 DC H5 3.980 2.745 3.980 2.718 2.717 2.719 0.028 9 0 "[ . 1 . 2]" 1
141 2 1 DG H2' 2 2 DC H5 3.950 2.815 3.950 3.702 3.672 3.726 . 0 0 "[ . 1 . 2]" 1
142 2 1 DG H3' 2 2 DC H5 6.580 4.040 6.580 5.373 5.363 5.380 . 0 0 "[ . 1 . 2]" 1
143 2 2 DC H2'' 2 2 DC H5'' 4.520 2.630 4.520 4.624 4.623 4.624 0.104 12 0 "[ . 1 . 2]" 1
144 2 2 DC H2' 2 2 DC H5'' 4.930 2.420 4.930 3.659 3.658 3.660 . 0 0 "[ . 1 . 2]" 1
145 2 2 DC H1' 2 2 DC H6 5.470 2.330 5.470 3.719 3.718 3.720 . 0 0 "[ . 1 . 2]" 1
146 2 2 DC H2'' 2 2 DC H6 5.470 2.330 5.470 3.493 3.489 3.496 . 0 0 "[ . 1 . 2]" 1
147 2 2 DC H2' 2 2 DC H6 2.710 . 2.710 2.089 2.087 2.092 . 0 0 "[ . 1 . 2]" 1
148 2 2 DC H3' 2 2 DC H6 5.010 2.620 5.010 3.896 3.895 3.898 . 0 0 "[ . 1 . 2]" 1
149 2 2 DC H4' 2 2 DC H6 5.110 3.680 5.110 4.427 4.424 4.431 . 0 0 "[ . 1 . 2]" 1
150 2 2 DC H5 2 2 DC H6 2.800 . 2.800 2.275 2.274 2.277 . 0 0 "[ . 1 . 2]" 1
151 2 2 DC H5' 2 2 DC H6 6.070 2.150 6.070 3.628 3.623 3.632 . 0 0 "[ . 1 . 2]" 1
152 2 2 DC H5'' 2 2 DC H6 4.810 2.750 4.810 4.239 4.236 4.242 . 0 0 "[ . 1 . 2]" 1
153 2 1 DG H1' 2 2 DC H6 3.510 2.375 3.510 3.120 3.063 3.198 . 0 0 "[ . 1 . 2]" 1
154 2 1 DG H2'' 2 2 DC H6 3.090 2.255 3.090 2.527 2.482 2.563 . 0 0 "[ . 1 . 2]" 1
155 2 1 DG H2' 2 2 DC H6 5.140 2.830 5.140 4.198 4.159 4.231 . 0 0 "[ . 1 . 2]" 1
156 2 1 DG H3' 2 2 DC H6 5.480 3.290 5.480 4.989 4.979 4.997 . 0 0 "[ . 1 . 2]" 1
157 1 6 DC H1' 1 6 DC H2'' 3.040 . 3.040 2.215 2.213 2.220 . 0 0 "[ . 1 . 2]" 1
158 1 6 DC H1' 1 6 DC H2' 4.410 2.670 4.410 2.989 2.988 2.991 . 0 0 "[ . 1 . 2]" 1
159 1 6 DC H1' 1 6 DC H3' 4.470 2.810 4.470 3.790 3.787 3.791 . 0 0 "[ . 1 . 2]" 1
160 1 6 DC H1' 1 6 DC H4' 3.090 2.305 3.090 2.576 2.563 2.582 . 0 0 "[ . 1 . 2]" 1
161 1 6 DC H1' 1 7 DG H3' 6.670 3.140 6.670 6.104 6.103 6.108 . 0 0 "[ . 1 . 2]" 1
162 1 6 DC H1' 1 7 DG H4' 4.860 2.360 4.860 4.869 4.868 4.872 0.012 5 0 "[ . 1 . 2]" 1
163 1 6 DC H1' 1 7 DG H5'' 5.340 2.590 5.340 5.045 5.043 5.048 . 0 0 "[ . 1 . 2]" 1
164 1 6 DC H2' 1 6 DC H2'' 2.490 . 2.490 1.824 1.823 1.825 0.017 1 0 "[ . 1 . 2]" 1
165 1 5 DA H2'' 1 6 DC H3' 5.650 3.520 5.650 4.165 4.145 4.174 . 0 0 "[ . 1 . 2]" 1
166 1 6 DC H2'' 1 6 DC H3' 3.520 2.535 3.520 2.897 2.896 2.899 . 0 0 "[ . 1 . 2]" 1
167 1 6 DC H2' 1 6 DC H3' 3.070 2.245 3.070 2.226 2.224 2.227 0.021 5 0 "[ . 1 . 2]" 1
168 1 6 DC H3' 1 6 DC H4' 2.860 2.125 2.860 2.936 2.935 2.936 0.076 5 0 "[ . 1 . 2]" 1
169 1 6 DC H3' 1 6 DC H5' 3.690 2.645 3.690 3.642 3.641 3.644 . 0 0 "[ . 1 . 2]" 1
170 1 6 DC H2'' 1 6 DC H4' 3.550 2.655 3.550 3.396 3.390 3.399 . 0 0 "[ . 1 . 2]" 1
171 1 6 DC H2' 1 6 DC H4' 4.840 3.460 4.840 3.821 3.818 3.824 . 0 0 "[ . 1 . 2]" 1
172 1 5 DA H2'' 1 6 DC H5 6.040 3.400 6.040 3.611 3.601 3.630 . 0 0 "[ . 1 . 2]" 1
173 1 5 DA H2' 1 6 DC H5 3.490 2.505 3.490 3.517 3.516 3.519 0.029 5 0 "[ . 1 . 2]" 1
174 1 5 DA H3' 1 6 DC H5 6.500 3.200 6.500 5.652 5.647 5.660 . 0 0 "[ . 1 . 2]" 1
175 1 6 DC H2' 1 6 DC H5 6.110 3.890 6.110 4.579 4.573 4.584 . 0 0 "[ . 1 . 2]" 1
176 1 5 DA H2'' 1 6 DC H5' 4.690 3.250 4.690 3.200 3.197 3.202 0.053 5 0 "[ . 1 . 2]" 1
177 1 6 DC H2' 1 6 DC H5' 5.040 3.720 5.040 4.811 4.808 4.817 . 0 0 "[ . 1 . 2]" 1
178 1 5 DA H1' 1 6 DC H6 4.450 2.710 4.450 3.887 3.881 3.902 . 0 0 "[ . 1 . 2]" 1
179 1 5 DA H2'' 1 6 DC H6 3.230 2.355 3.230 2.335 2.334 2.336 0.021 13 0 "[ . 1 . 2]" 1
180 1 5 DA H2' 1 6 DC H6 4.700 2.850 4.700 3.437 3.418 3.446 . 0 0 "[ . 1 . 2]" 1
181 1 5 DA H3' 1 6 DC H6 5.990 3.690 5.990 5.002 4.994 5.005 . 0 0 "[ . 1 . 2]" 1
182 1 5 DA H4' 1 6 DC H6 6.940 4.750 6.940 6.136 6.125 6.141 . 0 0 "[ . 1 . 2]" 1
183 1 6 DC H1' 1 6 DC H6 4.230 2.955 4.230 3.728 3.727 3.729 . 0 0 "[ . 1 . 2]" 1
184 1 6 DC H2'' 1 6 DC H6 4.130 2.740 4.130 3.941 3.938 3.946 . 0 0 "[ . 1 . 2]" 1
185 1 6 DC H2' 1 6 DC H6 2.840 2.095 2.840 2.481 2.476 2.488 . 0 0 "[ . 1 . 2]" 1
186 1 6 DC H3' 1 6 DC H6 3.910 2.815 3.910 3.657 3.654 3.661 . 0 0 "[ . 1 . 2]" 1
187 1 6 DC H5 1 6 DC H6 2.830 2.045 2.830 2.403 2.401 2.404 . 0 0 "[ . 1 . 2]" 1
188 1 6 DC H5' 1 6 DC H6 5.740 3.570 5.740 4.435 4.430 4.449 . 0 0 "[ . 1 . 2]" 1
189 2 6 DC H1' 2 6 DC H2'' 3.040 . 3.040 2.215 2.213 2.217 . 0 0 "[ . 1 . 2]" 1
190 2 6 DC H1' 2 6 DC H2' 4.410 2.670 4.410 2.989 2.988 2.990 . 0 0 "[ . 1 . 2]" 1
191 2 6 DC H1' 2 6 DC H3' 4.470 2.810 4.470 3.790 3.788 3.791 . 0 0 "[ . 1 . 2]" 1
192 2 6 DC H1' 2 6 DC H4' 3.090 2.305 3.090 2.577 2.568 2.582 . 0 0 "[ . 1 . 2]" 1
193 2 6 DC H1' 2 7 DG H3' 6.670 3.140 6.670 6.104 6.101 6.108 . 0 0 "[ . 1 . 2]" 1
194 2 6 DC H1' 2 7 DG H4' 4.860 2.360 4.860 4.869 4.868 4.871 0.011 15 0 "[ . 1 . 2]" 1
195 2 6 DC H1' 2 7 DG H5'' 5.340 2.590 5.340 5.044 5.040 5.049 . 0 0 "[ . 1 . 2]" 1
196 2 6 DC H2' 2 6 DC H2'' 2.490 . 2.490 1.824 1.823 1.825 0.017 4 0 "[ . 1 . 2]" 1
197 2 5 DA H2'' 2 6 DC H3' 5.650 3.520 5.650 4.166 4.149 4.177 . 0 0 "[ . 1 . 2]" 1
198 2 6 DC H2'' 2 6 DC H3' 3.520 2.535 3.520 2.898 2.896 2.899 . 0 0 "[ . 1 . 2]" 1
199 2 6 DC H2' 2 6 DC H3' 3.070 2.245 3.070 2.226 2.225 2.227 0.020 13 0 "[ . 1 . 2]" 1
200 2 6 DC H3' 2 6 DC H4' 2.860 2.125 2.860 2.936 2.935 2.936 0.076 15 0 "[ . 1 . 2]" 1
201 2 6 DC H3' 2 6 DC H5' 3.690 2.645 3.690 3.642 3.641 3.644 . 0 0 "[ . 1 . 2]" 1
202 2 6 DC H2'' 2 6 DC H4' 3.550 2.655 3.550 3.397 3.391 3.399 . 0 0 "[ . 1 . 2]" 1
203 2 6 DC H2' 2 6 DC H4' 4.840 3.460 4.840 3.821 3.818 3.823 . 0 0 "[ . 1 . 2]" 1
204 2 5 DA H2'' 2 6 DC H5 6.040 3.400 6.040 3.610 3.601 3.624 . 0 0 "[ . 1 . 2]" 1
205 2 5 DA H2' 2 6 DC H5 3.490 2.505 3.490 3.517 3.515 3.519 0.029 5 0 "[ . 1 . 2]" 1
206 2 5 DA H3' 2 6 DC H5 6.500 3.200 6.500 5.652 5.647 5.658 . 0 0 "[ . 1 . 2]" 1
207 2 6 DC H2' 2 6 DC H5 6.110 3.890 6.110 4.580 4.573 4.584 . 0 0 "[ . 1 . 2]" 1
208 2 5 DA H2'' 2 6 DC H5' 4.690 3.250 4.690 3.200 3.197 3.202 0.053 5 0 "[ . 1 . 2]" 1
209 2 6 DC H2' 2 6 DC H5' 5.040 3.720 5.040 4.811 4.807 4.814 . 0 0 "[ . 1 . 2]" 1
210 2 5 DA H1' 2 6 DC H6 4.450 2.710 4.450 3.886 3.882 3.896 . 0 0 "[ . 1 . 2]" 1
211 2 5 DA H2'' 2 6 DC H6 3.230 2.355 3.230 2.335 2.334 2.336 0.021 5 0 "[ . 1 . 2]" 1
212 2 5 DA H2' 2 6 DC H6 4.700 2.850 4.700 3.437 3.424 3.446 . 0 0 "[ . 1 . 2]" 1
213 2 5 DA H3' 2 6 DC H6 5.990 3.690 5.990 5.002 4.997 5.005 . 0 0 "[ . 1 . 2]" 1
214 2 5 DA H4' 2 6 DC H6 6.940 4.750 6.940 6.135 6.117 6.142 . 0 0 "[ . 1 . 2]" 1
215 2 6 DC H1' 2 6 DC H6 4.230 2.955 4.230 3.729 3.727 3.730 . 0 0 "[ . 1 . 2]" 1
216 2 6 DC H2'' 2 6 DC H6 4.130 2.740 4.130 3.942 3.937 3.946 . 0 0 "[ . 1 . 2]" 1
217 2 6 DC H2' 2 6 DC H6 2.840 2.095 2.840 2.482 2.476 2.488 . 0 0 "[ . 1 . 2]" 1
218 2 6 DC H3' 2 6 DC H6 3.910 2.815 3.910 3.657 3.654 3.662 . 0 0 "[ . 1 . 2]" 1
219 2 6 DC H5 2 6 DC H6 2.830 2.045 2.830 2.403 2.402 2.404 . 0 0 "[ . 1 . 2]" 1
220 2 6 DC H5' 2 6 DC H6 5.740 3.570 5.740 4.435 4.430 4.444 . 0 0 "[ . 1 . 2]" 1
221 1 8 DC H1' 1 8 DC H3' 4.340 3.295 4.340 3.850 3.848 3.850 . 0 0 "[ . 1 . 2]" 1
222 1 8 DC H1' 1 8 DC H4' 3.290 2.595 3.290 2.668 2.666 2.670 . 0 0 "[ . 1 . 2]" 1
223 1 8 DC H1' 1 8 DC H5 5.540 4.130 5.540 5.426 5.425 5.427 . 0 0 "[ . 1 . 2]" 1
224 1 7 DG H2'' 1 8 DC H3' 4.830 3.400 4.830 3.992 3.988 3.995 . 0 0 "[ . 1 . 2]" 1
225 1 8 DC H3' 1 8 DC H5 5.590 3.950 5.590 5.292 5.291 5.294 . 0 0 "[ . 1 . 2]" 1
226 1 7 DG H2' 1 8 DC H5 4.910 3.380 4.910 3.730 3.728 3.731 . 0 0 "[ . 1 . 2]" 1
227 1 7 DG H3' 1 8 DC H5 5.730 3.320 5.730 5.747 5.746 5.748 0.018 9 0 "[ . 1 . 2]" 1
228 1 7 DG H2'' 1 8 DC H5' 4.310 2.390 4.310 3.589 3.588 3.590 . 0 0 "[ . 1 . 2]" 1
229 1 7 DG H2'' 1 8 DC H5'' 4.390 2.600 4.390 4.435 4.435 4.436 0.046 9 0 "[ . 1 . 2]" 1
230 1 8 DC H1' 1 8 DC H6 4.500 2.920 4.500 3.704 3.703 3.705 . 0 0 "[ . 1 . 2]" 1
231 1 8 DC H3' 1 8 DC H6 4.470 3.030 4.470 3.025 3.025 3.026 0.005 20 0 "[ . 1 . 2]" 1
232 1 8 DC H4' 1 8 DC H6 4.770 3.495 4.770 4.403 4.402 4.404 . 0 0 "[ . 1 . 2]" 1
233 1 8 DC H5' 1 8 DC H6 5.080 3.330 5.080 4.394 4.390 4.397 . 0 0 "[ . 1 . 2]" 1
234 1 8 DC H5'' 1 8 DC H6 5.120 3.240 5.120 4.848 4.846 4.851 . 0 0 "[ . 1 . 2]" 1
235 1 7 DG H1' 1 8 DC H6 3.600 2.475 3.600 3.607 3.606 3.607 0.007 16 0 "[ . 1 . 2]" 1
236 1 7 DG H2'' 1 8 DC H6 3.010 2.145 3.010 2.329 2.327 2.331 . 0 0 "[ . 1 . 2]" 1
237 1 7 DG H2' 1 8 DC H6 4.000 2.510 4.000 3.627 3.624 3.630 . 0 0 "[ . 1 . 2]" 1
238 1 7 DG H3' 1 8 DC H6 6.310 3.850 6.310 5.025 5.023 5.027 . 0 0 "[ . 1 . 2]" 1
239 1 7 DG H4' 1 8 DC H6 6.650 3.880 6.650 6.087 6.082 6.090 . 0 0 "[ . 1 . 2]" 1
240 2 8 DC H1' 2 8 DC H3' 4.340 3.295 4.340 3.849 3.848 3.851 . 0 0 "[ . 1 . 2]" 1
241 2 8 DC H1' 2 8 DC H4' 3.290 2.595 3.290 2.667 2.666 2.669 . 0 0 "[ . 1 . 2]" 1
242 2 8 DC H1' 2 8 DC H5 5.540 4.130 5.540 5.427 5.425 5.428 . 0 0 "[ . 1 . 2]" 1
243 2 7 DG H2'' 2 8 DC H3' 4.830 3.400 4.830 3.992 3.989 3.995 . 0 0 "[ . 1 . 2]" 1
244 2 8 DC H3' 2 8 DC H5 5.590 3.950 5.590 5.293 5.292 5.294 . 0 0 "[ . 1 . 2]" 1
245 2 7 DG H2' 2 8 DC H5 4.910 3.380 4.910 3.730 3.727 3.731 . 0 0 "[ . 1 . 2]" 1
246 2 7 DG H3' 2 8 DC H5 5.730 3.320 5.730 5.747 5.746 5.748 0.018 9 0 "[ . 1 . 2]" 1
247 2 7 DG H2'' 2 8 DC H5' 4.310 2.390 4.310 3.589 3.588 3.591 . 0 0 "[ . 1 . 2]" 1
248 2 7 DG H2'' 2 8 DC H5'' 4.390 2.600 4.390 4.435 4.435 4.436 0.046 2 0 "[ . 1 . 2]" 1
249 2 8 DC H1' 2 8 DC H6 4.500 2.920 4.500 3.705 3.703 3.706 . 0 0 "[ . 1 . 2]" 1
250 2 8 DC H3' 2 8 DC H6 4.470 3.030 4.470 3.025 3.025 3.026 0.005 5 0 "[ . 1 . 2]" 1
251 2 8 DC H4' 2 8 DC H6 4.770 3.495 4.770 4.403 4.401 4.405 . 0 0 "[ . 1 . 2]" 1
252 2 8 DC H5' 2 8 DC H6 5.080 3.330 5.080 4.395 4.390 4.398 . 0 0 "[ . 1 . 2]" 1
253 2 8 DC H5'' 2 8 DC H6 5.120 3.240 5.120 4.848 4.846 4.850 . 0 0 "[ . 1 . 2]" 1
254 2 7 DG H1' 2 8 DC H6 3.600 2.475 3.600 3.607 3.605 3.607 0.007 4 0 "[ . 1 . 2]" 1
255 2 7 DG H2'' 2 8 DC H6 3.010 2.145 3.010 2.329 2.326 2.331 . 0 0 "[ . 1 . 2]" 1
256 2 7 DG H2' 2 8 DC H6 4.000 2.510 4.000 3.627 3.623 3.630 . 0 0 "[ . 1 . 2]" 1
257 2 7 DG H3' 2 8 DC H6 6.310 3.850 6.310 5.025 5.022 5.026 . 0 0 "[ . 1 . 2]" 1
258 2 7 DG H4' 2 8 DC H6 6.650 3.880 6.650 6.087 6.084 6.089 . 0 0 "[ . 1 . 2]" 1
259 1 1 DG H1' 1 2 DC H5'' 5.630 2.080 5.630 4.491 4.460 4.535 . 0 0 "[ . 1 . 2]" 1
260 1 1 DG H1' 1 1 DG H2' 3.360 2.150 3.360 3.039 3.036 3.041 . 0 0 "[ . 1 . 2]" 1
261 1 1 DG H1' 1 1 DG H3' 5.000 3.490 5.000 3.737 3.732 3.740 . 0 0 "[ . 1 . 2]" 1
262 1 1 DG H2'' 1 1 DG H3' 3.550 2.285 3.550 2.716 2.706 2.730 . 0 0 "[ . 1 . 2]" 1
263 1 1 DG H2' 1 1 DG H3' 2.710 . 2.710 2.379 2.364 2.389 . 0 0 "[ . 1 . 2]" 1
264 1 1 DG H2'' 1 1 DG H4' 4.200 2.965 4.200 4.071 4.015 4.099 . 0 0 "[ . 1 . 2]" 1
265 1 1 DG H2' 1 1 DG H4' 3.610 2.665 3.610 3.670 3.666 3.677 0.067 3 0 "[ . 1 . 2]" 1
266 1 1 DG H8 1 2 DC H5 5.610 3.810 5.610 4.290 4.256 4.312 . 0 0 "[ . 1 . 2]" 1
267 1 1 DG H8 1 2 DC H6 6.800 4.130 6.800 5.460 5.432 5.479 . 0 0 "[ . 1 . 2]" 1
268 1 1 DG H1' 1 1 DG H8 5.380 4.010 5.380 3.974 3.973 3.975 0.037 6 0 "[ . 1 . 2]" 1
269 1 1 DG H2'' 1 1 DG H8 4.700 2.960 4.700 3.783 3.750 3.812 . 0 0 "[ . 1 . 2]" 1
270 1 1 DG H2' 1 1 DG H8 2.890 2.095 2.890 2.516 2.491 2.545 . 0 0 "[ . 1 . 2]" 1
271 1 1 DG H3' 1 1 DG H8 5.820 4.735 5.820 4.721 4.721 4.722 0.014 3 0 "[ . 1 . 2]" 1
272 1 1 DG H4' 1 1 DG H8 6.360 4.570 6.360 5.002 4.994 5.011 . 0 0 "[ . 1 . 2]" 1
273 2 1 DG H1' 2 2 DC H5'' 5.630 2.080 5.630 4.492 4.454 4.538 . 0 0 "[ . 1 . 2]" 1
274 2 1 DG H1' 2 1 DG H2' 3.360 2.150 3.360 3.039 3.036 3.040 . 0 0 "[ . 1 . 2]" 1
275 2 1 DG H1' 2 1 DG H3' 5.000 3.490 5.000 3.737 3.736 3.740 . 0 0 "[ . 1 . 2]" 1
276 2 1 DG H2'' 2 1 DG H3' 3.550 2.285 3.550 2.717 2.709 2.729 . 0 0 "[ . 1 . 2]" 1
277 2 1 DG H2' 2 1 DG H3' 2.710 . 2.710 2.378 2.364 2.388 . 0 0 "[ . 1 . 2]" 1
278 2 1 DG H2'' 2 1 DG H4' 4.200 2.965 4.200 4.068 4.015 4.100 . 0 0 "[ . 1 . 2]" 1
279 2 1 DG H2' 2 1 DG H4' 3.610 2.665 3.610 3.671 3.666 3.678 0.068 14 0 "[ . 1 . 2]" 1
280 2 1 DG H8 2 2 DC H5 5.610 3.810 5.610 4.291 4.273 4.311 . 0 0 "[ . 1 . 2]" 1
281 2 1 DG H8 2 2 DC H6 6.800 4.130 6.800 5.461 5.440 5.480 . 0 0 "[ . 1 . 2]" 1
282 2 1 DG H1' 2 1 DG H8 5.380 4.010 5.380 3.974 3.973 3.975 0.037 19 0 "[ . 1 . 2]" 1
283 2 1 DG H2'' 2 1 DG H8 4.700 2.960 4.700 3.787 3.766 3.814 . 0 0 "[ . 1 . 2]" 1
284 2 1 DG H2' 2 1 DG H8 2.890 2.095 2.890 2.519 2.499 2.546 . 0 0 "[ . 1 . 2]" 1
285 2 1 DG H3' 2 1 DG H8 5.820 4.735 5.820 4.721 4.720 4.722 0.015 5 0 "[ . 1 . 2]" 1
286 2 1 DG H4' 2 1 DG H8 6.360 4.570 6.360 5.001 4.993 5.013 . 0 0 "[ . 1 . 2]" 1
287 1 3 DG H1' 1 3 DG H2'' 2.860 . 2.860 2.312 2.311 2.313 . 0 0 "[ . 1 . 2]" 1
288 1 3 DG H1' 1 3 DG H2' 3.630 2.300 3.630 3.015 3.014 3.016 . 0 0 "[ . 1 . 2]" 1
289 1 3 DG H1' 1 3 DG H3' 4.780 2.940 4.780 3.927 3.926 3.928 . 0 0 "[ . 1 . 2]" 1
290 1 3 DG H1' 1 3 DG H4' 3.390 2.355 3.390 3.136 3.131 3.140 . 0 0 "[ . 1 . 2]" 1
291 1 3 DG H1' 1 4 DT H1' 4.160 3.095 4.160 4.239 4.238 4.241 0.081 13 0 "[ . 1 . 2]" 1
292 1 3 DG H1' 1 4 DT H5' 3.910 2.660 3.910 2.645 2.645 2.646 0.015 16 0 "[ . 1 . 2]" 1
293 1 2 DC H2'' 1 3 DG H3' 5.040 3.020 5.040 5.036 5.022 5.041 0.001 7 0 "[ . 1 . 2]" 1
294 1 3 DG H2'' 1 3 DG H3' 2.970 . 2.970 2.729 2.728 2.730 . 0 0 "[ . 1 . 2]" 1
295 1 3 DG H2' 1 3 DG H3' 2.720 . 2.720 2.253 2.252 2.255 . 0 0 "[ . 1 . 2]" 1
296 1 3 DG H3' 1 3 DG H4' 3.230 2.155 3.230 2.888 2.887 2.889 . 0 0 "[ . 1 . 2]" 1
297 1 3 DG H3' 1 3 DG H5'' 3.270 2.145 3.270 2.301 2.300 2.304 . 0 0 "[ . 1 . 2]" 1
298 1 2 DC H2'' 1 3 DG H4' 5.470 3.150 5.470 5.492 5.492 5.493 0.023 3 0 "[ . 1 . 2]" 1
299 1 3 DG H2'' 1 3 DG H4' 4.480 2.760 4.480 3.795 3.793 3.798 . 0 0 "[ . 1 . 2]" 1
300 1 3 DG H2' 1 3 DG H4' 4.530 3.010 4.530 3.836 3.835 3.838 . 0 0 "[ . 1 . 2]" 1
301 1 3 DG H4' 1 3 DG H5' 2.610 . 2.610 2.436 2.435 2.438 . 0 0 "[ . 1 . 2]" 1
302 1 3 DG H4' 1 3 DG H5'' 2.660 . 2.660 2.364 2.361 2.365 . 0 0 "[ . 1 . 2]" 1
303 1 3 DG H2'' 1 3 DG H5'' 4.560 2.930 4.560 4.658 4.657 4.659 0.099 14 0 "[ . 1 . 2]" 1
304 1 2 DC H1' 1 3 DG H8 3.650 2.795 3.650 3.550 3.546 3.554 . 0 0 "[ . 1 . 2]" 1
305 1 2 DC H2'' 1 3 DG H8 3.650 2.795 3.650 2.746 2.745 2.747 0.050 13 0 "[ . 1 . 2]" 1
306 1 2 DC H2' 1 3 DG H8 4.320 3.015 4.320 4.159 4.152 4.165 . 0 0 "[ . 1 . 2]" 1
307 1 2 DC H3' 1 3 DG H8 5.740 3.500 5.740 5.359 5.357 5.362 . 0 0 "[ . 1 . 2]" 1
308 1 2 DC H4' 1 3 DG H8 6.870 4.410 6.870 6.383 6.381 6.386 . 0 0 "[ . 1 . 2]" 1
309 1 2 DC H6 1 3 DG H8 6.390 3.740 6.390 5.320 5.306 5.333 . 0 0 "[ . 1 . 2]" 1
310 1 3 DG H1' 1 3 DG H8 4.960 3.360 4.960 3.899 3.898 3.901 . 0 0 "[ . 1 . 2]" 1
311 1 3 DG H2'' 1 3 DG H8 4.100 2.530 4.100 3.856 3.854 3.858 . 0 0 "[ . 1 . 2]" 1
312 1 3 DG H2' 1 3 DG H8 2.830 . 2.830 2.346 2.344 2.349 . 0 0 "[ . 1 . 2]" 1
313 1 3 DG H3' 1 3 DG H8 6.030 3.470 6.030 4.114 4.110 4.118 . 0 0 "[ . 1 . 2]" 1
314 1 3 DG H4' 1 3 DG H8 5.790 3.330 5.790 4.873 4.872 4.875 . 0 0 "[ . 1 . 2]" 1
315 1 3 DG H5' 1 3 DG H8 6.080 3.560 6.080 4.453 4.449 4.456 . 0 0 "[ . 1 . 2]" 1
316 1 3 DG H5'' 1 3 DG H8 4.990 3.290 4.990 4.911 4.906 4.918 . 0 0 "[ . 1 . 2]" 1
317 1 3 DG H8 1 4 DT H6 7.150 4.310 7.150 4.307 4.306 4.307 0.004 6 0 "[ . 1 . 2]" 1
318 2 3 DG H1' 2 3 DG H2'' 2.860 . 2.860 2.312 2.311 2.313 . 0 0 "[ . 1 . 2]" 1
319 2 3 DG H1' 2 3 DG H2' 3.630 2.300 3.630 3.015 3.014 3.016 . 0 0 "[ . 1 . 2]" 1
320 2 3 DG H1' 2 3 DG H3' 4.780 2.940 4.780 3.927 3.926 3.928 . 0 0 "[ . 1 . 2]" 1
321 2 3 DG H1' 2 3 DG H4' 3.390 2.355 3.390 3.135 3.130 3.140 . 0 0 "[ . 1 . 2]" 1
322 2 3 DG H1' 2 4 DT H1' 4.160 3.095 4.160 4.239 4.238 4.242 0.082 5 0 "[ . 1 . 2]" 1
323 2 3 DG H1' 2 4 DT H5' 3.910 2.660 3.910 2.645 2.644 2.646 0.016 6 0 "[ . 1 . 2]" 1
324 2 2 DC H2'' 2 3 DG H3' 5.040 3.020 5.040 5.034 5.015 5.041 0.001 17 0 "[ . 1 . 2]" 1
325 2 3 DG H2'' 2 3 DG H3' 2.970 . 2.970 2.729 2.728 2.729 . 0 0 "[ . 1 . 2]" 1
326 2 3 DG H2' 2 3 DG H3' 2.720 . 2.720 2.253 2.252 2.254 . 0 0 "[ . 1 . 2]" 1
327 2 3 DG H3' 2 3 DG H4' 3.230 2.155 3.230 2.888 2.887 2.890 . 0 0 "[ . 1 . 2]" 1
328 2 3 DG H3' 2 3 DG H5'' 3.270 2.145 3.270 2.301 2.300 2.305 . 0 0 "[ . 1 . 2]" 1
329 2 2 DC H2'' 2 3 DG H4' 5.470 3.150 5.470 5.492 5.491 5.493 0.023 13 0 "[ . 1 . 2]" 1
330 2 3 DG H2'' 2 3 DG H4' 4.480 2.760 4.480 3.795 3.792 3.798 . 0 0 "[ . 1 . 2]" 1
331 2 3 DG H2' 2 3 DG H4' 4.530 3.010 4.530 3.836 3.836 3.838 . 0 0 "[ . 1 . 2]" 1
332 2 3 DG H4' 2 3 DG H5' 2.610 . 2.610 2.436 2.434 2.439 . 0 0 "[ . 1 . 2]" 1
333 2 3 DG H4' 2 3 DG H5'' 2.660 . 2.660 2.364 2.361 2.365 . 0 0 "[ . 1 . 2]" 1
334 2 3 DG H2'' 2 3 DG H5'' 4.560 2.930 4.560 4.658 4.657 4.660 0.100 5 0 "[ . 1 . 2]" 1
335 2 2 DC H1' 2 3 DG H8 3.650 2.795 3.650 3.550 3.545 3.554 . 0 0 "[ . 1 . 2]" 1
336 2 2 DC H2'' 2 3 DG H8 3.650 2.795 3.650 2.746 2.745 2.746 0.050 5 0 "[ . 1 . 2]" 1
337 2 2 DC H2' 2 3 DG H8 4.320 3.015 4.320 4.158 4.146 4.163 . 0 0 "[ . 1 . 2]" 1
338 2 2 DC H3' 2 3 DG H8 5.740 3.500 5.740 5.359 5.357 5.362 . 0 0 "[ . 1 . 2]" 1
339 2 2 DC H4' 2 3 DG H8 6.870 4.410 6.870 6.383 6.381 6.387 . 0 0 "[ . 1 . 2]" 1
340 2 2 DC H6 2 3 DG H8 6.390 3.740 6.390 5.318 5.292 5.333 . 0 0 "[ . 1 . 2]" 1
341 2 3 DG H1' 2 3 DG H8 4.960 3.360 4.960 3.899 3.898 3.900 . 0 0 "[ . 1 . 2]" 1
342 2 3 DG H2'' 2 3 DG H8 4.100 2.530 4.100 3.856 3.853 3.858 . 0 0 "[ . 1 . 2]" 1
343 2 3 DG H2' 2 3 DG H8 2.830 . 2.830 2.346 2.343 2.350 . 0 0 "[ . 1 . 2]" 1
344 2 3 DG H3' 2 3 DG H8 6.030 3.470 6.030 4.114 4.110 4.118 . 0 0 "[ . 1 . 2]" 1
345 2 3 DG H4' 2 3 DG H8 5.790 3.330 5.790 4.873 4.872 4.875 . 0 0 "[ . 1 . 2]" 1
346 2 3 DG H5' 2 3 DG H8 6.080 3.560 6.080 4.453 4.450 4.458 . 0 0 "[ . 1 . 2]" 1
347 2 3 DG H5'' 2 3 DG H8 4.990 3.290 4.990 4.912 4.906 4.922 . 0 0 "[ . 1 . 2]" 1
348 2 3 DG H8 2 4 DT H6 7.150 4.310 7.150 4.306 4.306 4.307 0.004 6 0 "[ . 1 . 2]" 1
349 1 6 DC H2'' 1 7 DG H1' 6.180 3.540 6.180 4.686 4.684 4.689 . 0 0 "[ . 1 . 2]" 1
350 1 7 DG H1' 1 8 DC H3' 5.620 3.580 5.620 4.923 4.920 4.930 . 0 0 "[ . 1 . 2]" 1
351 1 7 DG H1' 1 8 DC H5 5.750 3.600 5.750 4.938 4.932 4.940 . 0 0 "[ . 1 . 2]" 1
352 1 7 DG H1' 1 8 DC H5' 3.940 2.660 3.940 2.792 2.789 2.798 . 0 0 "[ . 1 . 2]" 1
353 1 7 DG H1' 1 7 DG H2'' 2.770 . 2.770 2.432 2.431 2.433 . 0 0 "[ . 1 . 2]" 1
354 1 7 DG H1' 1 7 DG H2' 3.700 2.130 3.700 3.040 3.039 3.040 . 0 0 "[ . 1 . 2]" 1
355 1 7 DG H1' 1 7 DG H3' 4.970 3.300 4.970 3.767 3.764 3.769 . 0 0 "[ . 1 . 2]" 1
356 1 7 DG H1' 1 7 DG H4' 3.390 2.385 3.390 3.003 2.993 3.007 . 0 0 "[ . 1 . 2]" 1
357 1 6 DC H2'' 1 7 DG H2' 3.290 2.165 3.290 3.362 3.362 3.363 0.073 12 0 "[ . 1 . 2]" 1
358 1 6 DC H2'' 1 7 DG H3' 5.620 3.520 5.620 4.450 4.442 4.454 . 0 0 "[ . 1 . 2]" 1
359 1 7 DG H2'' 1 7 DG H3' 3.120 2.075 3.120 2.724 2.723 2.725 . 0 0 "[ . 1 . 2]" 1
360 1 7 DG H2' 1 7 DG H3' 2.730 . 2.730 2.299 2.298 2.300 . 0 0 "[ . 1 . 2]" 1
361 1 7 DG H3' 1 7 DG H4' 3.260 2.345 3.260 2.849 2.848 2.853 . 0 0 "[ . 1 . 2]" 1
362 1 7 DG H3' 1 7 DG H5'' 3.460 2.385 3.460 2.479 2.478 2.482 . 0 0 "[ . 1 . 2]" 1
363 1 6 DC H2'' 1 7 DG H4' 5.890 3.160 5.890 4.279 4.271 4.283 . 0 0 "[ . 1 . 2]" 1
364 1 7 DG H2'' 1 7 DG H4' 4.540 2.930 4.540 4.003 4.001 4.004 . 0 0 "[ . 1 . 2]" 1
365 1 7 DG H2' 1 7 DG H4' 4.620 3.130 4.620 3.732 3.731 3.733 . 0 0 "[ . 1 . 2]" 1
366 1 7 DG H4' 1 7 DG H5' 2.510 . 2.510 2.467 2.466 2.468 . 0 0 "[ . 1 . 2]" 1
367 1 7 DG H4' 1 7 DG H5'' 2.850 . 2.850 2.396 2.394 2.398 . 0 0 "[ . 1 . 2]" 1
368 1 6 DC H2'' 1 7 DG H5' 5.490 2.230 5.490 2.747 2.740 2.750 . 0 0 "[ . 1 . 2]" 1
369 1 7 DG H2' 1 7 DG H5' 4.550 2.860 4.550 4.049 4.047 4.053 . 0 0 "[ . 1 . 2]" 1
370 1 6 DC H2'' 1 7 DG H5'' 4.020 2.640 4.020 3.906 3.900 3.909 . 0 0 "[ . 1 . 2]" 1
371 1 6 DC H2' 1 7 DG H5'' 5.640 3.200 5.640 5.538 5.531 5.541 . 0 0 "[ . 1 . 2]" 1
372 1 6 DC H1' 1 7 DG H8 4.320 3.235 4.320 4.355 4.354 4.356 0.036 4 0 "[ . 1 . 2]" 1
373 1 6 DC H2'' 1 7 DG H8 3.740 2.845 3.740 2.721 2.721 2.722 0.124 16 0 "[ . 1 . 2]" 1
374 1 6 DC H2' 1 7 DG H8 4.110 3.075 4.110 3.020 3.018 3.022 0.057 5 0 "[ . 1 . 2]" 1
375 1 6 DC H3' 1 7 DG H8 4.840 3.530 4.840 4.892 4.891 4.895 0.055 5 0 "[ . 1 . 2]" 1
376 1 6 DC H4' 1 7 DG H8 6.930 4.650 6.930 6.078 6.073 6.082 . 0 0 "[ . 1 . 2]" 1
377 1 6 DC H6 1 7 DG H8 6.460 4.180 6.460 4.796 4.773 4.809 . 0 0 "[ . 1 . 2]" 1
378 1 7 DG H8 1 8 DC H5 5.130 3.250 5.130 3.248 3.247 3.249 0.003 4 0 "[ . 1 . 2]" 1
379 1 7 DG H8 1 8 DC H6 6.380 3.940 6.380 4.179 4.175 4.184 . 0 0 "[ . 1 . 2]" 1
380 1 7 DG H1' 1 7 DG H8 5.020 3.430 5.020 3.865 3.864 3.866 . 0 0 "[ . 1 . 2]" 1
381 1 7 DG H2'' 1 7 DG H8 4.410 2.780 4.410 3.418 3.416 3.422 . 0 0 "[ . 1 . 2]" 1
382 1 7 DG H2' 1 7 DG H8 2.820 2.075 2.820 2.153 2.151 2.154 . 0 0 "[ . 1 . 2]" 1
383 1 7 DG H3' 1 7 DG H8 5.630 3.730 5.630 4.353 4.351 4.356 . 0 0 "[ . 1 . 2]" 1
384 1 7 DG H4' 1 7 DG H8 5.920 3.650 5.920 5.061 5.053 5.064 . 0 0 "[ . 1 . 2]" 1
385 1 7 DG H5' 1 7 DG H8 6.070 4.000 6.070 4.741 4.739 4.745 . 0 0 "[ . 1 . 2]" 1
386 1 7 DG H5'' 1 7 DG H8 5.180 3.810 5.180 5.263 5.261 5.266 0.086 5 0 "[ . 1 . 2]" 1
387 2 6 DC H2'' 2 7 DG H1' 6.180 3.540 6.180 4.687 4.683 4.691 . 0 0 "[ . 1 . 2]" 1
388 2 7 DG H1' 2 8 DC H3' 5.620 3.580 5.620 4.923 4.921 4.928 . 0 0 "[ . 1 . 2]" 1
389 2 7 DG H1' 2 8 DC H5 5.750 3.600 5.750 4.938 4.934 4.941 . 0 0 "[ . 1 . 2]" 1
390 2 7 DG H1' 2 8 DC H5' 3.940 2.660 3.940 2.792 2.790 2.797 . 0 0 "[ . 1 . 2]" 1
391 2 7 DG H1' 2 7 DG H2'' 2.770 . 2.770 2.432 2.431 2.434 . 0 0 "[ . 1 . 2]" 1
392 2 7 DG H1' 2 7 DG H2' 3.700 2.130 3.700 3.040 3.039 3.040 . 0 0 "[ . 1 . 2]" 1
393 2 7 DG H1' 2 7 DG H3' 4.970 3.300 4.970 3.767 3.765 3.769 . 0 0 "[ . 1 . 2]" 1
394 2 7 DG H1' 2 7 DG H4' 3.390 2.385 3.390 3.004 2.997 3.007 . 0 0 "[ . 1 . 2]" 1
395 2 6 DC H2'' 2 7 DG H2' 3.290 2.165 3.290 3.362 3.361 3.363 0.073 14 0 "[ . 1 . 2]" 1
396 2 6 DC H2'' 2 7 DG H3' 5.620 3.520 5.620 4.451 4.444 4.453 . 0 0 "[ . 1 . 2]" 1
397 2 7 DG H2'' 2 7 DG H3' 3.120 2.075 3.120 2.724 2.723 2.725 . 0 0 "[ . 1 . 2]" 1
398 2 7 DG H2' 2 7 DG H3' 2.730 . 2.730 2.299 2.298 2.301 . 0 0 "[ . 1 . 2]" 1
399 2 7 DG H3' 2 7 DG H4' 3.260 2.345 3.260 2.849 2.848 2.851 . 0 0 "[ . 1 . 2]" 1
400 2 7 DG H3' 2 7 DG H5'' 3.460 2.385 3.460 2.479 2.478 2.481 . 0 0 "[ . 1 . 2]" 1
401 2 6 DC H2'' 2 7 DG H4' 5.890 3.160 5.890 4.279 4.273 4.284 . 0 0 "[ . 1 . 2]" 1
402 2 7 DG H2'' 2 7 DG H4' 4.540 2.930 4.540 4.003 4.002 4.004 . 0 0 "[ . 1 . 2]" 1
403 2 7 DG H2' 2 7 DG H4' 4.620 3.130 4.620 3.732 3.731 3.733 . 0 0 "[ . 1 . 2]" 1
404 2 7 DG H4' 2 7 DG H5' 2.510 . 2.510 2.467 2.465 2.469 . 0 0 "[ . 1 . 2]" 1
405 2 7 DG H4' 2 7 DG H5'' 2.850 . 2.850 2.396 2.394 2.398 . 0 0 "[ . 1 . 2]" 1
406 2 6 DC H2'' 2 7 DG H5' 5.490 2.230 5.490 2.747 2.739 2.754 . 0 0 "[ . 1 . 2]" 1
407 2 7 DG H2' 2 7 DG H5' 4.550 2.860 4.550 4.049 4.046 4.052 . 0 0 "[ . 1 . 2]" 1
408 2 6 DC H2'' 2 7 DG H5'' 4.020 2.640 4.020 3.906 3.901 3.910 . 0 0 "[ . 1 . 2]" 1
409 2 6 DC H2' 2 7 DG H5'' 5.640 3.200 5.640 5.538 5.532 5.543 . 0 0 "[ . 1 . 2]" 1
410 2 6 DC H1' 2 7 DG H8 4.320 3.235 4.320 4.355 4.353 4.356 0.036 7 0 "[ . 1 . 2]" 1
411 2 6 DC H2'' 2 7 DG H8 3.740 2.845 3.740 2.721 2.720 2.722 0.125 10 0 "[ . 1 . 2]" 1
412 2 6 DC H2' 2 7 DG H8 4.110 3.075 4.110 3.020 3.019 3.021 0.056 19 0 "[ . 1 . 2]" 1
413 2 6 DC H3' 2 7 DG H8 4.840 3.530 4.840 4.892 4.890 4.894 0.054 15 0 "[ . 1 . 2]" 1
414 2 6 DC H4' 2 7 DG H8 6.930 4.650 6.930 6.078 6.073 6.082 . 0 0 "[ . 1 . 2]" 1
415 2 6 DC H6 2 7 DG H8 6.460 4.180 6.460 4.798 4.782 4.807 . 0 0 "[ . 1 . 2]" 1
416 2 7 DG H8 2 8 DC H5 5.130 3.250 5.130 3.248 3.247 3.248 0.003 2 0 "[ . 1 . 2]" 1
417 2 7 DG H8 2 8 DC H6 6.380 3.940 6.380 4.179 4.176 4.182 . 0 0 "[ . 1 . 2]" 1
418 2 7 DG H1' 2 7 DG H8 5.020 3.430 5.020 3.865 3.864 3.866 . 0 0 "[ . 1 . 2]" 1
419 2 7 DG H2'' 2 7 DG H8 4.410 2.780 4.410 3.418 3.416 3.422 . 0 0 "[ . 1 . 2]" 1
420 2 7 DG H2' 2 7 DG H8 2.820 2.075 2.820 2.153 2.151 2.155 . 0 0 "[ . 1 . 2]" 1
421 2 7 DG H3' 2 7 DG H8 5.630 3.730 5.630 4.353 4.351 4.355 . 0 0 "[ . 1 . 2]" 1
422 2 7 DG H4' 2 7 DG H8 5.920 3.650 5.920 5.061 5.057 5.064 . 0 0 "[ . 1 . 2]" 1
423 2 7 DG H5' 2 7 DG H8 6.070 4.000 6.070 4.741 4.735 4.745 . 0 0 "[ . 1 . 2]" 1
424 2 7 DG H5'' 2 7 DG H8 5.180 3.810 5.180 5.263 5.261 5.265 0.085 13 0 "[ . 1 . 2]" 1
425 1 4 DT H1' 1 5 DA H3' 6.270 3.570 6.270 5.784 5.767 5.792 . 0 0 "[ . 1 . 2]" 1
426 1 4 DT H1' 1 5 DA H4' 4.890 2.520 4.890 4.661 4.655 4.670 . 0 0 "[ . 1 . 2]" 1
427 1 4 DT H1' 1 5 DA H5'' 4.780 3.210 4.780 4.636 4.628 4.647 . 0 0 "[ . 1 . 2]" 1
428 1 4 DT H1' 1 4 DT H2'' 3.040 . 3.040 2.445 2.443 2.446 . 0 0 "[ . 1 . 2]" 1
429 1 4 DT H1' 1 4 DT H2' 4.500 2.310 4.500 3.073 3.072 3.074 . 0 0 "[ . 1 . 2]" 1
430 1 4 DT H1' 1 4 DT H3' 4.610 3.220 4.610 3.811 3.810 3.812 . 0 0 "[ . 1 . 2]" 1
431 1 4 DT H1' 1 4 DT H4' 3.100 2.275 3.100 2.688 2.685 2.691 . 0 0 "[ . 1 . 2]" 1
432 1 4 DT H2'' 1 4 DT H3' 3.330 2.425 3.330 2.818 2.816 2.819 . 0 0 "[ . 1 . 2]" 1
433 1 4 DT H2' 1 4 DT H3' 2.910 2.125 2.910 2.259 2.257 2.260 . 0 0 "[ . 1 . 2]" 1
434 1 4 DT H3' 1 4 DT H4' 3.000 2.285 3.000 2.925 2.923 2.927 . 0 0 "[ . 1 . 2]" 1
435 1 4 DT H2'' 1 4 DT H4' 3.990 2.815 3.990 3.813 3.811 3.816 . 0 0 "[ . 1 . 2]" 1
436 1 4 DT H2' 1 4 DT H4' 5.040 3.300 5.040 3.801 3.800 3.802 . 0 0 "[ . 1 . 2]" 1
437 1 3 DG H2'' 1 4 DT H5'' 3.740 2.400 3.740 3.854 3.853 3.856 0.116 13 0 "[ . 1 . 2]" 1
438 1 3 DG H1' 1 4 DT H6 3.780 2.685 3.780 3.633 3.625 3.641 . 0 0 "[ . 1 . 2]" 1
439 1 3 DG H2'' 1 4 DT H6 3.060 2.255 3.060 2.240 2.239 2.241 0.016 17 0 "[ . 1 . 2]" 1
440 1 3 DG H2' 1 4 DT H6 4.180 2.770 4.180 2.984 2.982 2.987 . 0 0 "[ . 1 . 2]" 1
441 1 3 DG H3' 1 4 DT H6 6.660 4.190 6.660 4.669 4.666 4.673 . 0 0 "[ . 1 . 2]" 1
442 1 3 DG H4' 1 4 DT H6 6.890 4.500 6.890 5.938 5.934 5.942 . 0 0 "[ . 1 . 2]" 1
443 1 4 DT H1' 1 4 DT H6 4.610 2.830 4.610 3.662 3.660 3.663 . 0 0 "[ . 1 . 2]" 1
444 1 4 DT H2'' 1 4 DT H6 4.650 2.700 4.650 3.586 3.584 3.590 . 0 0 "[ . 1 . 2]" 1
445 1 4 DT H2' 1 4 DT H6 2.750 . 2.750 2.201 2.199 2.204 . 0 0 "[ . 1 . 2]" 1
446 1 4 DT H3' 1 4 DT H6 4.700 2.930 4.700 3.925 3.922 3.928 . 0 0 "[ . 1 . 2]" 1
447 1 4 DT H4' 1 4 DT H6 5.270 3.730 5.270 4.515 4.510 4.518 . 0 0 "[ . 1 . 2]" 1
448 1 4 DT H5' 1 4 DT H6 5.570 3.660 5.570 4.351 4.348 4.354 . 0 0 "[ . 1 . 2]" 1
449 1 4 DT H5'' 1 4 DT H6 4.880 3.250 4.880 4.933 4.932 4.934 0.054 13 0 "[ . 1 . 2]" 1
450 2 4 DT H1' 2 5 DA H3' 6.270 3.570 6.270 5.783 5.765 5.790 . 0 0 "[ . 1 . 2]" 1
451 2 4 DT H1' 2 5 DA H4' 4.890 2.520 4.890 4.660 4.654 4.669 . 0 0 "[ . 1 . 2]" 1
452 2 4 DT H1' 2 5 DA H5'' 4.780 3.210 4.780 4.636 4.628 4.644 . 0 0 "[ . 1 . 2]" 1
453 2 4 DT H1' 2 4 DT H2'' 3.040 . 3.040 2.445 2.444 2.446 . 0 0 "[ . 1 . 2]" 1
454 2 4 DT H1' 2 4 DT H2' 4.500 2.310 4.500 3.073 3.072 3.074 . 0 0 "[ . 1 . 2]" 1
455 2 4 DT H1' 2 4 DT H3' 4.610 3.220 4.610 3.811 3.810 3.812 . 0 0 "[ . 1 . 2]" 1
456 2 4 DT H1' 2 4 DT H4' 3.100 2.275 3.100 2.687 2.684 2.690 . 0 0 "[ . 1 . 2]" 1
457 2 4 DT H2'' 2 4 DT H3' 3.330 2.425 3.330 2.818 2.815 2.819 . 0 0 "[ . 1 . 2]" 1
458 2 4 DT H2' 2 4 DT H3' 2.910 2.125 2.910 2.259 2.258 2.260 . 0 0 "[ . 1 . 2]" 1
459 2 4 DT H3' 2 4 DT H4' 3.000 2.285 3.000 2.925 2.924 2.926 . 0 0 "[ . 1 . 2]" 1
460 2 4 DT H2'' 2 4 DT H4' 3.990 2.815 3.990 3.813 3.811 3.816 . 0 0 "[ . 1 . 2]" 1
461 2 4 DT H2' 2 4 DT H4' 5.040 3.300 5.040 3.801 3.800 3.802 . 0 0 "[ . 1 . 2]" 1
462 2 3 DG H2'' 2 4 DT H5'' 3.740 2.400 3.740 3.854 3.854 3.855 0.115 13 0 "[ . 1 . 2]" 1
463 2 3 DG H1' 2 4 DT H6 3.780 2.685 3.780 3.633 3.626 3.638 . 0 0 "[ . 1 . 2]" 1
464 2 3 DG H2'' 2 4 DT H6 3.060 2.255 3.060 2.240 2.239 2.241 0.016 4 0 "[ . 1 . 2]" 1
465 2 3 DG H2' 2 4 DT H6 4.180 2.770 4.180 2.984 2.982 2.987 . 0 0 "[ . 1 . 2]" 1
466 2 3 DG H3' 2 4 DT H6 6.660 4.190 6.660 4.669 4.666 4.672 . 0 0 "[ . 1 . 2]" 1
467 2 3 DG H4' 2 4 DT H6 6.890 4.500 6.890 5.937 5.933 5.942 . 0 0 "[ . 1 . 2]" 1
468 2 4 DT H1' 2 4 DT H6 4.610 2.830 4.610 3.662 3.660 3.663 . 0 0 "[ . 1 . 2]" 1
469 2 4 DT H2'' 2 4 DT H6 4.650 2.700 4.650 3.587 3.584 3.589 . 0 0 "[ . 1 . 2]" 1
470 2 4 DT H2' 2 4 DT H6 2.750 . 2.750 2.201 2.199 2.203 . 0 0 "[ . 1 . 2]" 1
471 2 4 DT H3' 2 4 DT H6 4.700 2.930 4.700 3.925 3.923 3.929 . 0 0 "[ . 1 . 2]" 1
472 2 4 DT H4' 2 4 DT H6 5.270 3.730 5.270 4.514 4.510 4.519 . 0 0 "[ . 1 . 2]" 1
473 2 4 DT H5' 2 4 DT H6 5.570 3.660 5.570 4.350 4.348 4.354 . 0 0 "[ . 1 . 2]" 1
474 2 4 DT H5'' 2 4 DT H6 4.880 3.250 4.880 4.933 4.932 4.934 0.054 15 0 "[ . 1 . 2]" 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 22
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 DG 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 DC 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 DG 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 DT 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 DA 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 DC 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 DG 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 DC 0.000 0.000 . 0 "[ . 1 . 2]"
2 1 DG 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 DC 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 DG 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 DT 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 DA 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 DC 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 DG 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 DC 0.000 0.000 . 0 "[ . 1 . 2]"
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 DG O6 2 8 DC H41 . . 2.100 2.006 2.005 2.008 . 0 0 "[ . 1 . 2]" 2
2 1 1 DG H1 2 8 DC N3 . . 2.100 2.043 2.041 2.045 . 0 0 "[ . 1 . 2]" 2
3 1 1 DG H21 2 8 DC O2 . . 2.100 1.960 1.958 1.962 . 0 0 "[ . 1 . 2]" 2
4 1 2 DC H41 2 7 DG O6 . . 2.100 1.975 1.974 1.978 . 0 0 "[ . 1 . 2]" 2
5 1 2 DC N3 2 7 DG H1 . . 2.100 1.951 1.950 1.952 . 0 0 "[ . 1 . 2]" 2
6 1 2 DC O2 2 7 DG H21 . . 2.100 1.941 1.937 1.942 . 0 0 "[ . 1 . 2]" 2
7 1 3 DG O6 2 6 DC H41 . . 2.100 2.039 2.037 2.044 . 0 0 "[ . 1 . 2]" 2
8 1 3 DG H1 2 6 DC N3 . . 2.100 2.042 2.040 2.043 . 0 0 "[ . 1 . 2]" 2
9 1 3 DG H21 2 6 DC O2 . . 2.100 1.946 1.943 1.948 . 0 0 "[ . 1 . 2]" 2
10 1 4 DT O4 2 5 DA H61 . . 2.100 2.016 2.013 2.025 . 0 0 "[ . 1 . 2]" 2
11 1 4 DT H3 2 5 DA N1 . . 2.100 1.983 1.981 1.986 . 0 0 "[ . 1 . 2]" 2
12 1 5 DA H61 2 4 DT O4 . . 2.100 2.016 2.013 2.024 . 0 0 "[ . 1 . 2]" 2
13 1 5 DA N1 2 4 DT H3 . . 2.100 1.984 1.981 1.985 . 0 0 "[ . 1 . 2]" 2
14 1 6 DC H41 2 3 DG O6 . . 2.100 2.039 2.037 2.045 . 0 0 "[ . 1 . 2]" 2
15 1 6 DC N3 2 3 DG H1 . . 2.100 2.042 2.041 2.043 . 0 0 "[ . 1 . 2]" 2
16 1 6 DC O2 2 3 DG H21 . . 2.100 1.946 1.944 1.948 . 0 0 "[ . 1 . 2]" 2
17 1 7 DG O6 2 2 DC H41 . . 2.100 1.975 1.973 1.978 . 0 0 "[ . 1 . 2]" 2
18 1 7 DG H1 2 2 DC N3 . . 2.100 1.951 1.950 1.952 . 0 0 "[ . 1 . 2]" 2
19 1 7 DG H21 2 2 DC O2 . . 2.100 1.941 1.937 1.943 . 0 0 "[ . 1 . 2]" 2
20 1 8 DC H41 2 1 DG O6 . . 2.100 2.007 2.006 2.009 . 0 0 "[ . 1 . 2]" 2
21 1 8 DC N3 2 1 DG H1 . . 2.100 2.043 2.041 2.045 . 0 0 "[ . 1 . 2]" 2
22 1 8 DC O2 2 1 DG H21 . . 2.100 1.960 1.958 1.962 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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