NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
643357 |
6o2l   |
30577 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6o2l
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 345
_Distance_constraint_stats_list.Viol_count 726
_Distance_constraint_stats_list.Viol_total 510.087
_Distance_constraint_stats_list.Viol_max 0.507
_Distance_constraint_stats_list.Viol_rms 0.0324
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0037
_Distance_constraint_stats_list.Viol_average_violations_only 0.0351
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 DT 0.551 0.031 9 0 "[ . 1 . 2]"
1 2 DG 1.422 0.034 11 0 "[ . 1 . 2]"
1 3 DA 0.611 0.014 18 0 "[ . 1 . 2]"
1 4 DG 0.838 0.054 1 0 "[ . 1 . 2]"
1 5 DG 0.665 0.039 15 0 "[ . 1 . 2]"
1 6 DG 0.040 0.040 1 0 "[ . 1 . 2]"
1 7 DT 0.079 0.029 1 0 "[ . 1 . 2]"
1 8 DG 0.819 0.042 10 0 "[ . 1 . 2]"
1 9 DG 0.944 0.042 10 0 "[ . 1 . 2]"
1 10 DG 0.396 0.025 13 0 "[ . 1 . 2]"
1 11 DT 6.599 0.388 9 0 "[ . 1 . 2]"
1 12 DA 0.209 0.025 20 0 "[ . 1 . 2]"
1 13 DG 0.362 0.093 7 0 "[ . 1 . 2]"
1 14 DG 0.849 0.049 14 0 "[ . 1 . 2]"
1 15 DG 0.462 0.177 17 0 "[ . 1 . 2]"
1 16 DT 10.260 0.507 7 10 "[ * . +**** - .*** 2]"
1 17 DG 0.810 0.050 11 0 "[ . 1 . 2]"
1 18 DG 0.938 0.050 11 0 "[ . 1 . 2]"
1 19 DG 0.765 0.033 20 0 "[ . 1 . 2]"
1 20 DT 0.610 0.177 17 0 "[ . 1 . 2]"
1 21 DA 0.028 0.007 10 0 "[ . 1 . 2]"
1 22 DA 0.169 0.027 17 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 DT H1' 1 1 DT H2' 3.000 2.400 3.600 3.051 3.048 3.053 . 0 0 "[ . 1 . 2]" 1
2 1 1 DT H1' 1 1 DT H2'' 2.300 . 2.760 2.405 2.401 2.407 . 0 0 "[ . 1 . 2]" 1
3 1 1 DT H1' 1 1 DT H3' 4.120 3.300 4.940 3.869 3.866 3.873 . 0 0 "[ . 1 . 2]" 1
4 1 1 DT H1' 1 1 DT H4' 3.330 2.660 4.000 3.176 3.106 3.335 . 0 0 "[ . 1 . 2]" 1
5 1 1 DT H1' 1 1 DT H5'' 5.000 4.000 6.000 4.434 4.318 4.505 . 0 0 "[ . 1 . 2]" 1
6 1 1 DT H1' 1 1 DT H6 2.400 . 2.880 2.259 2.248 2.265 . 0 0 "[ . 1 . 2]" 1
7 1 1 DT H1' 1 1 DT M7 5.200 4.160 6.240 4.220 4.214 4.232 . 0 0 "[ . 1 . 2]" 1
8 1 1 DT H1' 1 2 DG H8 3.800 3.000 4.860 3.400 3.123 3.562 . 0 0 "[ . 1 . 2]" 1
9 1 1 DT H2' 1 1 DT H3' 2.300 . 2.760 2.372 2.366 2.386 . 0 0 "[ . 1 . 2]" 1
10 1 1 DT H2' 1 1 DT H4' 3.830 3.060 4.600 3.912 3.888 3.924 . 0 0 "[ . 1 . 2]" 1
11 1 1 DT H2' 1 1 DT H5' 3.950 3.160 4.740 3.322 3.129 3.769 0.031 9 0 "[ . 1 . 2]" 1
12 1 1 DT H2' 1 1 DT H5'' 3.600 2.880 4.320 3.837 2.877 4.299 0.003 18 0 "[ . 1 . 2]" 1
13 1 1 DT H2' 1 1 DT H6 3.700 2.960 4.440 4.195 4.165 4.244 . 0 0 "[ . 1 . 2]" 1
14 1 1 DT H2' 1 2 DG H8 5.200 4.160 6.240 5.262 4.879 5.701 . 0 0 "[ . 1 . 2]" 1
15 1 1 DT H2'' 1 1 DT H3' 3.000 2.400 3.600 2.746 2.716 2.759 . 0 0 "[ . 1 . 2]" 1
16 1 1 DT H2'' 1 1 DT H4' 4.060 3.250 4.870 3.939 3.906 4.014 . 0 0 "[ . 1 . 2]" 1
17 1 1 DT H2'' 1 1 DT H6 4.400 3.520 5.280 3.663 3.629 3.738 . 0 0 "[ . 1 . 2]" 1
18 1 1 DT H2'' 1 2 DG H8 4.230 3.380 5.080 3.839 3.378 4.625 0.002 4 0 "[ . 1 . 2]" 1
19 1 1 DT H3' 1 1 DT H4' 3.200 2.560 3.840 2.780 2.729 2.803 . 0 0 "[ . 1 . 2]" 1
20 1 1 DT H3' 1 1 DT H5' 2.400 . 2.880 2.390 2.363 2.445 . 0 0 "[ . 1 . 2]" 1
21 1 1 DT H3' 1 1 DT H5'' 3.600 2.880 4.320 3.399 2.850 3.645 0.030 1 0 "[ . 1 . 2]" 1
22 1 1 DT H3' 1 1 DT H6 5.600 4.480 6.720 5.800 5.785 5.831 . 0 0 "[ . 1 . 2]" 1
23 1 1 DT H3' 1 2 DG H8 5.230 4.200 6.260 4.851 4.458 4.991 . 0 0 "[ . 1 . 2]" 1
24 1 1 DT H4' 1 1 DT H5' 3.000 2.400 3.600 2.839 2.479 3.001 . 0 0 "[ . 1 . 2]" 1
25 1 1 DT H4' 1 1 DT H6 5.680 4.540 6.820 5.357 5.305 5.468 . 0 0 "[ . 1 . 2]" 1
26 1 1 DT H4' 1 3 DA H2 4.720 3.780 5.660 5.005 4.844 5.638 . 0 0 "[ . 1 . 2]" 1
27 1 1 DT H5' 1 1 DT H6 6.000 4.800 7.200 6.428 6.194 6.871 . 0 0 "[ . 1 . 2]" 1
28 1 1 DT H5'' 1 1 DT H6 6.500 5.200 7.800 6.083 5.807 6.221 . 0 0 "[ . 1 . 2]" 1
29 1 1 DT H5'' 1 3 DA H2 5.200 4.160 6.240 4.968 4.565 5.763 . 0 0 "[ . 1 . 2]" 1
30 1 1 DT H6 1 1 DT M7 2.800 2.240 3.360 2.266 2.252 2.287 . 0 0 "[ . 1 . 2]" 1
31 1 1 DT H6 1 2 DG H8 5.520 4.420 6.620 4.850 4.531 5.145 . 0 0 "[ . 1 . 2]" 1
32 1 2 DG H1' 1 2 DG H2' 3.220 2.580 3.860 3.049 3.048 3.051 . 0 0 "[ . 1 . 2]" 1
33 1 2 DG H1' 1 2 DG H2'' 2.330 . 2.800 2.398 2.396 2.400 . 0 0 "[ . 1 . 2]" 1
34 1 2 DG H1' 1 2 DG H3' 4.140 3.310 4.970 3.881 3.875 3.884 . 0 0 "[ . 1 . 2]" 1
35 1 2 DG H1' 1 2 DG H4' 3.900 3.120 4.680 3.408 3.385 3.424 . 0 0 "[ . 1 . 2]" 1
36 1 2 DG H1' 1 2 DG H8 3.700 2.960 4.440 3.690 3.688 3.691 . 0 0 "[ . 1 . 2]" 1
37 1 2 DG H2' 1 2 DG H3' 2.300 . 2.760 2.393 2.391 2.394 . 0 0 "[ . 1 . 2]" 1
38 1 2 DG H2' 1 2 DG H4' 4.200 3.360 5.040 3.878 3.877 3.883 . 0 0 "[ . 1 . 2]" 1
39 1 2 DG H2' 1 2 DG H5' 4.400 3.520 5.280 4.253 4.211 4.293 . 0 0 "[ . 1 . 2]" 1
40 1 2 DG H2' 1 2 DG H5'' 4.580 3.660 5.500 3.670 3.642 3.716 0.018 1 0 "[ . 1 . 2]" 1
41 1 2 DG H2' 1 2 DG H8 4.500 3.600 5.400 3.596 3.594 3.599 0.006 9 0 "[ . 1 . 2]" 1
42 1 2 DG H2'' 1 2 DG H3' 3.410 2.730 4.090 2.709 2.708 2.712 0.022 6 0 "[ . 1 . 2]" 1
43 1 2 DG H2'' 1 2 DG H4' 3.860 3.090 4.630 4.041 4.035 4.046 . 0 0 "[ . 1 . 2]" 1
44 1 2 DG H2'' 1 2 DG H5' 5.680 4.540 6.820 5.257 5.234 5.277 . 0 0 "[ . 1 . 2]" 1
45 1 2 DG H2'' 1 2 DG H5'' 5.680 4.540 6.820 4.663 4.635 4.704 . 0 0 "[ . 1 . 2]" 1
46 1 2 DG H2'' 1 2 DG H8 4.800 3.840 5.760 4.682 4.678 4.683 . 0 0 "[ . 1 . 2]" 1
47 1 2 DG H2'' 1 3 DA H5'' 5.400 4.360 6.440 5.885 5.693 6.245 . 0 0 "[ . 1 . 2]" 1
48 1 2 DG H3' 1 2 DG H4' 3.420 2.740 4.100 2.709 2.706 2.714 0.034 11 0 "[ . 1 . 2]" 1
49 1 2 DG H3' 1 2 DG H5' 3.490 2.790 4.190 3.651 3.635 3.668 . 0 0 "[ . 1 . 2]" 1
50 1 2 DG H3' 1 2 DG H5'' 2.650 2.120 3.180 2.384 2.348 2.431 . 0 0 "[ . 1 . 2]" 1
51 1 2 DG H3' 1 2 DG H8 4.800 3.840 5.760 5.004 5.000 5.010 . 0 0 "[ . 1 . 2]" 1
52 1 2 DG H3' 1 3 DA H8 6.500 5.200 7.800 5.596 5.498 5.641 . 0 0 "[ . 1 . 2]" 1
53 1 2 DG H4' 1 2 DG H8 5.500 4.400 6.600 4.410 4.400 4.426 . 0 0 "[ . 1 . 2]" 1
54 1 2 DG H4' 1 3 DA H1' 4.750 3.800 5.700 5.005 4.811 5.255 . 0 0 "[ . 1 . 2]" 1
55 1 2 DG H4' 1 3 DA H3' 4.600 3.680 5.520 5.290 5.092 5.521 0.001 10 0 "[ . 1 . 2]" 1
56 1 2 DG H4' 1 3 DA H4' 4.200 3.360 5.040 4.481 4.277 4.652 . 0 0 "[ . 1 . 2]" 1
57 1 2 DG H4' 1 3 DA H5'' 2.700 2.160 3.240 2.723 2.514 3.036 . 0 0 "[ . 1 . 2]" 1
58 1 2 DG H4' 1 3 DA H8 3.700 2.940 4.460 2.934 2.930 2.937 0.010 18 0 "[ . 1 . 2]" 1
59 1 2 DG H5' 1 2 DG H8 4.000 3.200 4.800 3.615 3.513 3.701 . 0 0 "[ . 1 . 2]" 1
60 1 2 DG H5' 1 3 DA H1' 4.000 3.200 4.800 4.805 4.801 4.807 0.007 14 0 "[ . 1 . 2]" 1
61 1 2 DG H5' 1 3 DA H8 4.200 3.380 5.020 3.679 3.380 4.029 . 0 0 "[ . 1 . 2]" 1
62 1 2 DG H5'' 1 2 DG H8 5.500 4.400 6.600 4.553 4.532 4.594 . 0 0 "[ . 1 . 2]" 1
63 1 2 DG H5'' 1 3 DA H1' 4.440 3.550 5.330 5.121 4.850 5.332 0.002 18 0 "[ . 1 . 2]" 1
64 1 2 DG H5'' 1 3 DA H8 5.450 4.360 6.540 4.691 4.373 5.002 . 0 0 "[ . 1 . 2]" 1
65 1 3 DA H1' 1 3 DA H2 4.170 3.340 5.000 4.498 4.482 4.532 . 0 0 "[ . 1 . 2]" 1
66 1 3 DA H1' 1 3 DA H2' 3.300 2.640 3.960 3.048 3.032 3.055 . 0 0 "[ . 1 . 2]" 1
67 1 3 DA H1' 1 3 DA H2'' 2.300 . 2.760 2.395 2.373 2.408 . 0 0 "[ . 1 . 2]" 1
68 1 3 DA H1' 1 3 DA H3' 3.920 3.140 4.700 3.888 3.859 3.943 . 0 0 "[ . 1 . 2]" 1
69 1 3 DA H1' 1 3 DA H4' 3.180 2.540 3.820 3.395 3.265 3.583 . 0 0 "[ . 1 . 2]" 1
70 1 3 DA H1' 1 3 DA H5' 4.900 3.920 5.880 5.001 4.962 5.059 . 0 0 "[ . 1 . 2]" 1
71 1 3 DA H1' 1 3 DA H5'' 4.560 3.650 5.470 4.318 4.241 4.362 . 0 0 "[ . 1 . 2]" 1
72 1 3 DA H1' 1 3 DA H8 3.900 3.120 4.680 3.884 3.864 3.894 . 0 0 "[ . 1 . 2]" 1
73 1 3 DA H1' 1 4 DG H8 4.800 3.900 5.700 4.942 4.573 5.264 . 0 0 "[ . 1 . 2]" 1
74 1 3 DA H2 1 4 DG H1 4.400 3.560 5.240 5.246 5.242 5.251 0.011 6 0 "[ . 1 . 2]" 1
75 1 3 DA H2' 1 3 DA H3' 2.300 . 2.760 2.385 2.379 2.388 . 0 0 "[ . 1 . 2]" 1
76 1 3 DA H2' 1 3 DA H8 2.700 2.160 3.240 2.403 2.146 2.595 0.014 18 0 "[ . 1 . 2]" 1
77 1 3 DA H2' 1 4 DG H8 2.600 . 3.240 3.246 3.242 3.253 0.013 17 0 "[ . 1 . 2]" 1
78 1 3 DA H2'' 1 3 DA H3' 2.670 2.140 3.200 2.715 2.708 2.724 . 0 0 "[ . 1 . 2]" 1
79 1 3 DA H2'' 1 3 DA H8 4.200 3.360 5.040 3.850 3.639 4.009 . 0 0 "[ . 1 . 2]" 1
80 1 3 DA H2'' 1 4 DG H8 3.000 2.300 3.700 2.747 2.492 3.030 . 0 0 "[ . 1 . 2]" 1
81 1 3 DA H3' 1 3 DA H4' 3.190 2.550 3.830 2.714 2.671 2.748 . 0 0 "[ . 1 . 2]" 1
82 1 3 DA H3' 1 3 DA H5' 3.060 2.450 3.670 2.486 2.437 2.571 0.013 2 0 "[ . 1 . 2]" 1
83 1 3 DA H3' 1 3 DA H5'' 2.500 . 3.120 2.764 2.694 2.805 . 0 0 "[ . 1 . 2]" 1
84 1 3 DA H3' 1 3 DA H8 4.000 3.200 4.800 4.313 4.127 4.427 . 0 0 "[ . 1 . 2]" 1
85 1 3 DA H3' 1 4 DG H8 5.000 4.070 5.930 4.432 4.110 4.609 . 0 0 "[ . 1 . 2]" 1
86 1 3 DA H4' 1 3 DA H5' 2.740 2.190 3.290 2.423 2.377 2.453 . 0 0 "[ . 1 . 2]" 1
87 1 3 DA H4' 1 3 DA H5'' 2.740 2.190 3.290 3.017 3.016 3.019 . 0 0 "[ . 1 . 2]" 1
88 1 3 DA H4' 1 3 DA H8 4.900 3.920 5.880 4.830 4.753 4.880 . 0 0 "[ . 1 . 2]" 1
89 1 3 DA H5' 1 3 DA H8 4.800 3.840 5.760 4.513 4.314 4.676 . 0 0 "[ . 1 . 2]" 1
90 1 3 DA H5'' 1 3 DA H8 2.700 2.040 3.360 2.795 2.580 2.987 . 0 0 "[ . 1 . 2]" 1
91 1 3 DA H8 1 4 DG H8 4.700 3.800 5.600 5.056 4.653 5.418 . 0 0 "[ . 1 . 2]" 1
92 1 3 DA H8 1 17 DG H1 4.410 3.530 5.290 4.991 4.837 5.172 . 0 0 "[ . 1 . 2]" 1
93 1 4 DG H1 1 8 DG H8 5.500 4.400 6.600 5.435 5.179 5.606 . 0 0 "[ . 1 . 2]" 1
94 1 4 DG H1' 1 4 DG H2' 3.100 2.480 3.720 3.056 3.053 3.059 . 0 0 "[ . 1 . 2]" 1
95 1 4 DG H1' 1 4 DG H2'' 2.500 . 3.000 2.406 2.402 2.411 . 0 0 "[ . 1 . 2]" 1
96 1 4 DG H1' 1 4 DG H3' 3.900 3.120 4.680 3.855 3.842 3.865 . 0 0 "[ . 1 . 2]" 1
97 1 4 DG H1' 1 4 DG H4' 3.400 2.720 4.080 3.339 3.276 3.383 . 0 0 "[ . 1 . 2]" 1
98 1 4 DG H1' 1 4 DG H8 3.900 3.120 4.680 3.879 3.870 3.888 . 0 0 "[ . 1 . 2]" 1
99 1 4 DG H1' 1 5 DG H8 3.840 3.070 4.610 3.284 3.065 3.660 0.005 13 0 "[ . 1 . 2]" 1
100 1 4 DG H2' 1 4 DG H8 2.760 2.210 3.310 2.639 2.470 2.735 . 0 0 "[ . 1 . 2]" 1
101 1 4 DG H2' 1 5 DG H8 3.300 2.640 3.960 3.615 3.500 3.822 . 0 0 "[ . 1 . 2]" 1
102 1 4 DG H2'' 1 4 DG H8 3.800 3.040 4.560 4.038 3.880 4.120 . 0 0 "[ . 1 . 2]" 1
103 1 4 DG H2'' 1 5 DG H8 2.600 2.080 3.120 2.100 2.060 2.341 0.020 6 0 "[ . 1 . 2]" 1
104 1 4 DG H3' 1 4 DG H8 3.700 2.960 4.440 4.459 4.412 4.494 0.054 1 0 "[ . 1 . 2]" 1
105 1 4 DG H3' 1 5 DG H8 4.490 3.590 5.390 4.693 4.543 4.928 . 0 0 "[ . 1 . 2]" 1
106 1 4 DG H4' 1 4 DG H8 4.580 3.660 5.500 4.721 4.658 4.852 . 0 0 "[ . 1 . 2]" 1
107 1 4 DG H5' 1 4 DG H8 4.600 3.680 5.520 4.488 4.112 4.683 . 0 0 "[ . 1 . 2]" 1
108 1 4 DG H5'' 1 4 DG H8 3.510 2.810 4.210 3.022 2.803 3.172 0.007 19 0 "[ . 1 . 2]" 1
109 1 4 DG H8 1 5 DG H8 4.830 3.870 5.790 5.474 5.300 5.677 . 0 0 "[ . 1 . 2]" 1
110 1 4 DG H8 1 17 DG H1 5.300 4.240 6.360 5.141 5.080 5.229 . 0 0 "[ . 1 . 2]" 1
111 1 5 DG H1 1 9 DG H8 5.500 4.400 6.600 5.287 5.045 5.405 . 0 0 "[ . 1 . 2]" 1
112 1 5 DG H1' 1 5 DG H2' 3.000 2.400 3.600 3.055 3.053 3.058 . 0 0 "[ . 1 . 2]" 1
113 1 5 DG H1' 1 5 DG H2'' 2.500 . 3.000 2.409 2.407 2.413 . 0 0 "[ . 1 . 2]" 1
114 1 5 DG H1' 1 5 DG H3' 3.800 3.040 4.560 3.856 3.846 3.866 . 0 0 "[ . 1 . 2]" 1
115 1 5 DG H1' 1 5 DG H4' 2.700 2.160 3.240 3.258 3.228 3.279 0.039 15 0 "[ . 1 . 2]" 1
116 1 5 DG H1' 1 5 DG H8 4.020 3.220 4.820 3.874 3.821 3.885 . 0 0 "[ . 1 . 2]" 1
117 1 5 DG H1' 1 6 DG H8 3.850 3.080 4.620 3.643 3.223 4.348 . 0 0 "[ . 1 . 2]" 1
118 1 5 DG H2' 1 5 DG H8 3.000 2.400 3.600 2.640 2.486 3.081 . 0 0 "[ . 1 . 2]" 1
119 1 5 DG H2' 1 6 DG H8 3.360 2.690 4.030 3.479 3.141 3.776 . 0 0 "[ . 1 . 2]" 1
120 1 5 DG H2'' 1 5 DG H8 4.300 3.440 5.160 4.036 3.910 4.369 . 0 0 "[ . 1 . 2]" 1
121 1 5 DG H2'' 1 6 DG H8 2.500 . 3.000 2.259 2.040 2.663 . 0 0 "[ . 1 . 2]" 1
122 1 5 DG H3' 1 5 DG H8 4.400 3.520 5.280 4.443 4.353 4.656 . 0 0 "[ . 1 . 2]" 1
123 1 5 DG H3' 1 6 DG H8 4.470 3.570 5.370 4.869 4.559 5.251 . 0 0 "[ . 1 . 2]" 1
124 1 5 DG H4' 1 5 DG H8 4.700 3.760 5.640 4.763 4.603 4.836 . 0 0 "[ . 1 . 2]" 1
125 1 5 DG H5' 1 5 DG H8 5.000 4.000 6.000 4.067 3.983 4.712 0.017 4 0 "[ . 1 . 2]" 1
126 1 5 DG H5'' 1 5 DG H8 4.400 3.520 5.280 4.563 3.501 4.780 0.019 9 0 "[ . 1 . 2]" 1
127 1 5 DG H8 1 6 DG H8 4.850 3.880 5.820 5.241 5.009 5.784 . 0 0 "[ . 1 . 2]" 1
128 1 5 DG H8 1 18 DG H1 5.290 4.230 6.350 5.114 4.923 5.413 . 0 0 "[ . 1 . 2]" 1
129 1 6 DG H1 1 10 DG H8 5.200 4.160 6.240 5.239 5.125 5.383 . 0 0 "[ . 1 . 2]" 1
130 1 6 DG H1' 1 6 DG H2' 3.100 2.480 3.720 3.059 3.057 3.062 . 0 0 "[ . 1 . 2]" 1
131 1 6 DG H1' 1 6 DG H2'' 2.500 . 3.000 2.413 2.410 2.421 . 0 0 "[ . 1 . 2]" 1
132 1 6 DG H1' 1 6 DG H3' 3.800 3.040 4.560 3.841 3.826 3.850 . 0 0 "[ . 1 . 2]" 1
133 1 6 DG H1' 1 6 DG H4' 3.000 2.400 3.600 3.232 3.091 3.291 . 0 0 "[ . 1 . 2]" 1
134 1 6 DG H1' 1 6 DG H8 3.660 2.930 4.390 3.880 3.810 3.889 . 0 0 "[ . 1 . 2]" 1
135 1 6 DG H2' 1 6 DG H8 2.760 2.210 3.310 2.503 2.209 3.167 0.001 7 0 "[ . 1 . 2]" 1
136 1 6 DG H2'' 1 6 DG H8 4.000 3.200 4.800 3.895 3.589 4.406 . 0 0 "[ . 1 . 2]" 1
137 1 6 DG H3' 1 6 DG H8 4.700 3.760 5.640 4.427 4.331 4.770 . 0 0 "[ . 1 . 2]" 1
138 1 6 DG H4' 1 6 DG H8 5.000 4.000 6.000 4.875 4.680 5.052 . 0 0 "[ . 1 . 2]" 1
139 1 6 DG H5' 1 6 DG H8 4.350 3.480 5.220 3.915 3.707 4.960 . 0 0 "[ . 1 . 2]" 1
140 1 6 DG H5'' 1 6 DG H8 4.700 3.740 5.660 4.864 3.700 5.147 0.040 1 0 "[ . 1 . 2]" 1
141 1 6 DG H8 1 19 DG H1 5.800 4.640 6.960 5.538 5.347 5.636 . 0 0 "[ . 1 . 2]" 1
142 1 7 DT H1' 1 7 DT H6 3.200 2.560 3.840 3.572 3.461 3.662 . 0 0 "[ . 1 . 2]" 1
143 1 7 DT H2' 1 7 DT H6 3.600 2.880 4.320 3.242 2.851 3.620 0.029 1 0 "[ . 1 . 2]" 1
144 1 7 DT H2'' 1 7 DT H6 4.000 3.200 4.800 4.399 4.164 4.579 . 0 0 "[ . 1 . 2]" 1
145 1 7 DT H3' 1 7 DT H6 4.050 3.240 4.860 4.520 3.534 4.860 . 0 0 "[ . 1 . 2]" 1
146 1 7 DT H4' 1 7 DT H6 4.000 3.200 4.800 4.107 4.017 4.258 . 0 0 "[ . 1 . 2]" 1
147 1 7 DT H5' 1 7 DT H6 4.000 3.200 4.800 3.694 3.192 4.092 0.008 13 0 "[ . 1 . 2]" 1
148 1 7 DT H5'' 1 7 DT H6 2.700 2.160 3.240 2.563 2.157 3.181 0.003 12 0 "[ . 1 . 2]" 1
149 1 7 DT H6 1 7 DT M7 2.480 . 2.980 2.270 2.251 2.374 . 0 0 "[ . 1 . 2]" 1
150 1 8 DG H1 1 13 DG H8 5.200 4.160 6.240 5.161 5.091 5.268 . 0 0 "[ . 1 . 2]" 1
151 1 8 DG H1' 1 8 DG H2' 3.100 2.480 3.720 3.049 3.039 3.055 . 0 0 "[ . 1 . 2]" 1
152 1 8 DG H1' 1 8 DG H2'' 2.500 . 3.000 2.393 2.383 2.402 . 0 0 "[ . 1 . 2]" 1
153 1 8 DG H1' 1 8 DG H3' 3.700 2.960 4.440 3.883 3.859 3.913 . 0 0 "[ . 1 . 2]" 1
154 1 8 DG H1' 1 8 DG H4' 3.500 2.800 4.200 3.458 3.381 3.553 . 0 0 "[ . 1 . 2]" 1
155 1 8 DG H1' 1 8 DG H8 3.830 3.060 4.600 3.817 3.767 3.830 . 0 0 "[ . 1 . 2]" 1
156 1 8 DG H1' 1 9 DG H8 3.810 3.050 4.570 4.592 4.502 4.612 0.042 10 0 "[ . 1 . 2]" 1
157 1 8 DG H2' 1 8 DG H8 3.740 3.130 4.350 3.140 3.092 3.359 0.038 15 0 "[ . 1 . 2]" 1
158 1 8 DG H2' 1 9 DG H8 3.300 2.640 3.960 2.795 2.623 3.222 0.017 19 0 "[ . 1 . 2]" 1
159 1 8 DG H2'' 1 8 DG H8 4.500 3.600 5.400 4.417 4.385 4.563 . 0 0 "[ . 1 . 2]" 1
160 1 8 DG H2'' 1 9 DG H8 2.840 2.280 3.400 2.454 2.328 2.654 . 0 0 "[ . 1 . 2]" 1
161 1 8 DG H3' 1 8 DG H8 4.800 3.840 5.760 4.683 4.641 4.770 . 0 0 "[ . 1 . 2]" 1
162 1 8 DG H3' 1 9 DG H8 4.510 3.610 5.410 4.194 3.842 4.837 . 0 0 "[ . 1 . 2]" 1
163 1 8 DG H4' 1 8 DG H8 4.600 3.680 5.520 4.448 4.308 4.522 . 0 0 "[ . 1 . 2]" 1
164 1 8 DG H5' 1 8 DG H8 3.900 3.120 4.680 3.332 3.115 3.482 0.005 19 0 "[ . 1 . 2]" 1
165 1 8 DG H5'' 1 8 DG H8 4.400 3.520 5.280 4.294 4.152 4.458 . 0 0 "[ . 1 . 2]" 1
166 1 8 DG H8 1 9 DG H8 4.880 3.910 5.850 5.520 5.114 5.783 . 0 0 "[ . 1 . 2]" 1
167 1 9 DG H1 1 14 DG H8 5.200 4.160 6.240 5.195 5.042 5.522 . 0 0 "[ . 1 . 2]" 1
168 1 9 DG H1' 1 9 DG H2' 2.900 2.320 3.480 3.049 3.042 3.054 . 0 0 "[ . 1 . 2]" 1
169 1 9 DG H1' 1 9 DG H2'' 2.500 . 3.000 2.399 2.390 2.405 . 0 0 "[ . 1 . 2]" 1
170 1 9 DG H1' 1 9 DG H3' 3.900 3.120 4.680 3.877 3.863 3.897 . 0 0 "[ . 1 . 2]" 1
171 1 9 DG H1' 1 9 DG H4' 3.000 2.400 3.600 3.381 3.306 3.460 . 0 0 "[ . 1 . 2]" 1
172 1 9 DG H1' 1 9 DG H8 3.900 . 81.900 3.867 3.845 3.880 . 0 0 "[ . 1 . 2]" 1
173 1 9 DG H1' 1 10 DG H8 3.790 3.030 4.550 4.403 3.642 4.564 0.014 20 0 "[ . 1 . 2]" 1
174 1 9 DG H2' 1 9 DG H8 3.000 2.400 3.600 2.776 2.599 2.943 . 0 0 "[ . 1 . 2]" 1
175 1 9 DG H2' 1 10 DG H8 3.240 2.590 3.890 3.444 2.900 3.722 . 0 0 "[ . 1 . 2]" 1
176 1 9 DG H2'' 1 9 DG H8 4.000 3.200 4.800 4.160 4.019 4.294 . 0 0 "[ . 1 . 2]" 1
177 1 9 DG H2'' 1 10 DG H8 2.620 2.100 3.140 2.467 2.108 2.816 . 0 0 "[ . 1 . 2]" 1
178 1 9 DG H3' 1 9 DG H8 3.740 2.990 4.490 4.478 4.410 4.527 0.037 10 0 "[ . 1 . 2]" 1
179 1 9 DG H3' 1 10 DG H8 4.440 3.550 5.330 4.668 4.280 5.079 . 0 0 "[ . 1 . 2]" 1
180 1 9 DG H4' 1 9 DG H8 5.100 4.080 6.120 4.624 4.490 4.712 . 0 0 "[ . 1 . 2]" 1
181 1 9 DG H5' 1 9 DG H8 5.400 4.320 6.480 4.451 4.318 4.623 0.002 8 0 "[ . 1 . 2]" 1
182 1 9 DG H5'' 1 9 DG H8 3.450 2.750 4.150 2.834 2.743 3.022 0.007 7 0 "[ . 1 . 2]" 1
183 1 9 DG H8 1 10 DG H8 4.820 3.860 5.780 5.699 5.275 5.805 0.025 13 0 "[ . 1 . 2]" 1
184 1 10 DG H1 1 15 DG H8 5.800 4.640 6.960 5.514 5.387 5.593 . 0 0 "[ . 1 . 2]" 1
185 1 10 DG H1' 1 10 DG H2' 3.100 2.480 3.720 3.029 2.818 3.060 . 0 0 "[ . 1 . 2]" 1
186 1 10 DG H1' 1 10 DG H2'' 2.500 . 3.000 2.397 2.340 2.414 . 0 0 "[ . 1 . 2]" 1
187 1 10 DG H1' 1 10 DG H3' 3.800 3.040 4.560 3.873 3.837 3.926 . 0 0 "[ . 1 . 2]" 1
188 1 10 DG H1' 1 10 DG H4' 3.100 2.480 3.720 3.315 3.112 3.424 . 0 0 "[ . 1 . 2]" 1
189 1 10 DG H1' 1 10 DG H8 3.700 2.960 4.440 3.827 3.745 3.858 . 0 0 "[ . 1 . 2]" 1
190 1 10 DG H2' 1 10 DG H8 3.500 2.800 4.000 3.092 2.875 3.844 . 0 0 "[ . 1 . 2]" 1
191 1 10 DG H2'' 1 10 DG H8 4.000 3.200 4.800 4.360 4.221 4.717 . 0 0 "[ . 1 . 2]" 1
192 1 10 DG H3' 1 10 DG H8 4.000 3.200 4.800 4.478 3.185 4.775 0.015 12 0 "[ . 1 . 2]" 1
193 1 10 DG H4' 1 10 DG H8 4.000 3.200 4.800 4.563 4.352 4.732 . 0 0 "[ . 1 . 2]" 1
194 1 10 DG H5' 1 10 DG H8 4.500 3.600 5.400 4.538 4.398 4.697 . 0 0 "[ . 1 . 2]" 1
195 1 10 DG H5'' 1 10 DG H8 3.800 3.040 4.560 3.042 3.017 3.194 0.023 19 0 "[ . 1 . 2]" 1
196 1 11 DT H1' 1 11 DT H6 3.670 2.940 4.400 3.583 3.541 3.679 . 0 0 "[ . 1 . 2]" 1
197 1 11 DT H2' 1 11 DT H6 3.430 2.740 4.120 3.730 2.722 3.901 0.018 17 0 "[ . 1 . 2]" 1
198 1 11 DT H2'' 1 11 DT H6 4.000 3.200 4.800 4.432 4.087 4.502 . 0 0 "[ . 1 . 2]" 1
199 1 11 DT H3' 1 11 DT H6 3.440 2.750 4.130 2.839 2.747 4.169 0.039 17 0 "[ . 1 . 2]" 1
200 1 11 DT H6 1 11 DT M7 3.300 2.640 3.960 2.314 2.252 2.344 0.388 9 0 "[ . 1 . 2]" 1
201 1 12 DA H1' 1 12 DA H8 3.460 2.770 4.150 3.862 3.757 3.895 . 0 0 "[ . 1 . 2]" 1
202 1 12 DA H2' 1 12 DA H8 3.170 2.530 3.810 2.829 2.505 3.770 0.025 20 0 "[ . 1 . 2]" 1
203 1 12 DA H2'' 1 12 DA H8 4.690 3.750 5.630 4.182 3.966 4.616 . 0 0 "[ . 1 . 2]" 1
204 1 12 DA H3' 1 12 DA H8 3.800 2.840 4.760 4.255 2.827 4.783 0.023 9 0 "[ . 1 . 2]" 1
205 1 13 DG H1 1 17 DG H8 5.200 4.160 6.240 5.360 5.030 5.516 . 0 0 "[ . 1 . 2]" 1
206 1 13 DG H1' 1 13 DG H2' 2.900 2.320 3.480 3.051 3.039 3.058 . 0 0 "[ . 1 . 2]" 1
207 1 13 DG H1' 1 13 DG H2'' 2.200 . 2.640 2.404 2.386 2.415 . 0 0 "[ . 1 . 2]" 1
208 1 13 DG H1' 1 13 DG H3' 3.800 3.040 4.560 3.865 3.837 3.910 . 0 0 "[ . 1 . 2]" 1
209 1 13 DG H1' 1 13 DG H4' 3.200 2.560 3.840 3.311 3.110 3.517 . 0 0 "[ . 1 . 2]" 1
210 1 13 DG H1' 1 13 DG H8 4.000 3.200 4.800 3.848 3.739 3.881 . 0 0 "[ . 1 . 2]" 1
211 1 13 DG H1' 1 14 DG H8 3.830 3.060 4.600 4.083 3.747 4.628 0.028 13 0 "[ . 1 . 2]" 1
212 1 13 DG H2' 1 13 DG H8 3.000 2.400 3.600 2.898 2.640 3.385 . 0 0 "[ . 1 . 2]" 1
213 1 13 DG H2' 1 14 DG H8 3.280 2.620 3.940 3.390 2.598 3.887 0.022 18 0 "[ . 1 . 2]" 1
214 1 13 DG H2'' 1 13 DG H8 4.500 3.600 5.400 4.237 4.034 4.561 . 0 0 "[ . 1 . 2]" 1
215 1 13 DG H2'' 1 14 DG H8 2.500 . 3.040 2.375 1.954 2.849 0.006 7 0 "[ . 1 . 2]" 1
216 1 13 DG H3' 1 13 DG H8 3.900 3.120 4.680 4.568 4.442 4.773 0.093 7 0 "[ . 1 . 2]" 1
217 1 13 DG H3' 1 14 DG H8 4.420 3.540 5.300 4.792 4.034 5.183 . 0 0 "[ . 1 . 2]" 1
218 1 13 DG H4' 1 13 DG H8 4.800 3.840 5.760 4.633 4.349 4.773 . 0 0 "[ . 1 . 2]" 1
219 1 13 DG H5' 1 13 DG H8 4.130 3.290 4.970 3.863 3.254 4.212 0.036 7 0 "[ . 1 . 2]" 1
220 1 13 DG H5'' 1 13 DG H8 4.500 3.600 5.400 4.384 3.589 4.841 0.011 11 0 "[ . 1 . 2]" 1
221 1 13 DG H8 1 14 DG H8 4.880 3.910 5.850 5.566 5.310 5.852 0.002 12 0 "[ . 1 . 2]" 1
222 1 14 DG H1 1 18 DG H8 5.800 4.640 6.960 5.338 5.016 5.516 . 0 0 "[ . 1 . 2]" 1
223 1 14 DG H1' 1 14 DG H2' 3.000 2.400 3.600 3.045 2.965 3.058 . 0 0 "[ . 1 . 2]" 1
224 1 14 DG H1' 1 14 DG H2'' 2.200 . 2.640 2.402 2.348 2.413 . 0 0 "[ . 1 . 2]" 1
225 1 14 DG H1' 1 14 DG H3' 3.900 3.120 4.680 3.866 3.845 3.954 . 0 0 "[ . 1 . 2]" 1
226 1 14 DG H1' 1 14 DG H4' 2.950 2.360 3.540 3.186 2.877 3.346 . 0 0 "[ . 1 . 2]" 1
227 1 14 DG H1' 1 14 DG H8 3.800 3.040 4.560 3.873 3.784 3.887 . 0 0 "[ . 1 . 2]" 1
228 1 14 DG H1' 1 15 DG H8 3.840 3.070 4.610 4.060 3.669 4.637 0.027 15 0 "[ . 1 . 2]" 1
229 1 14 DG H2' 1 14 DG H8 2.900 2.320 3.480 2.505 2.304 3.350 0.016 18 0 "[ . 1 . 2]" 1
230 1 14 DG H2' 1 15 DG H8 3.290 2.630 3.950 3.778 2.598 3.968 0.032 15 0 "[ . 1 . 2]" 1
231 1 14 DG H2'' 1 14 DG H8 4.200 3.360 5.040 3.908 3.715 4.589 . 0 0 "[ . 1 . 2]" 1
232 1 14 DG H2'' 1 15 DG H8 2.700 2.160 3.240 2.637 2.353 2.763 . 0 0 "[ . 1 . 2]" 1
233 1 14 DG H3' 1 14 DG H8 3.600 2.880 4.320 4.297 3.918 4.369 0.049 14 0 "[ . 1 . 2]" 1
234 1 14 DG H3' 1 15 DG H8 4.490 3.600 5.380 5.142 4.200 5.377 . 0 0 "[ . 1 . 2]" 1
235 1 14 DG H4' 1 14 DG H8 4.700 3.760 5.640 4.881 4.653 5.006 . 0 0 "[ . 1 . 2]" 1
236 1 14 DG H5' 1 14 DG H8 4.200 3.360 5.040 4.148 3.620 5.075 0.035 10 0 "[ . 1 . 2]" 1
237 1 14 DG H5'' 1 14 DG H8 4.840 3.670 6.010 4.753 3.646 5.152 0.024 13 0 "[ . 1 . 2]" 1
238 1 14 DG H8 1 15 DG H8 4.840 3.880 5.800 5.436 5.249 5.798 . 0 0 "[ . 1 . 2]" 1
239 1 15 DG H1 1 19 DG H8 5.300 4.240 6.360 5.298 5.146 5.443 . 0 0 "[ . 1 . 2]" 1
240 1 15 DG H1 1 20 DT M7 5.100 4.100 6.100 5.022 3.923 5.615 0.177 17 0 "[ . 1 . 2]" 1
241 1 15 DG H1' 1 15 DG H2' 3.000 2.400 3.600 3.059 3.055 3.065 . 0 0 "[ . 1 . 2]" 1
242 1 15 DG H1' 1 15 DG H2'' 2.300 . 2.760 2.413 2.407 2.418 . 0 0 "[ . 1 . 2]" 1
243 1 15 DG H1' 1 15 DG H3' 3.700 2.960 4.440 3.843 3.829 3.858 . 0 0 "[ . 1 . 2]" 1
244 1 15 DG H1' 1 15 DG H4' 3.000 2.400 3.600 3.202 3.138 3.277 . 0 0 "[ . 1 . 2]" 1
245 1 15 DG H1' 1 15 DG H8 4.020 3.220 4.820 3.878 3.865 3.885 . 0 0 "[ . 1 . 2]" 1
246 1 15 DG H2' 1 15 DG H8 2.740 2.190 3.290 2.271 2.170 2.521 0.020 7 0 "[ . 1 . 2]" 1
247 1 15 DG H2'' 1 15 DG H8 4.100 3.280 4.920 3.670 3.517 3.941 . 0 0 "[ . 1 . 2]" 1
248 1 15 DG H3' 1 15 DG H8 4.200 3.360 5.040 4.330 4.300 4.394 . 0 0 "[ . 1 . 2]" 1
249 1 15 DG H4' 1 15 DG H8 5.010 4.010 6.010 5.016 4.816 5.120 . 0 0 "[ . 1 . 2]" 1
250 1 15 DG H5' 1 15 DG H8 4.000 3.200 5.060 4.258 4.010 4.436 . 0 0 "[ . 1 . 2]" 1
251 1 15 DG H5'' 1 15 DG H8 5.140 4.110 6.170 5.095 4.677 5.264 . 0 0 "[ . 1 . 2]" 1
252 1 16 DT H1' 1 16 DT H6 3.600 2.880 4.320 3.571 3.516 3.616 . 0 0 "[ . 1 . 2]" 1
253 1 16 DT H2' 1 16 DT H6 3.180 2.540 3.820 3.395 3.060 3.843 0.023 12 0 "[ . 1 . 2]" 1
254 1 16 DT H2'' 1 16 DT H6 4.100 3.280 4.920 4.422 4.294 4.581 . 0 0 "[ . 1 . 2]" 1
255 1 16 DT H3' 1 16 DT H6 4.000 3.200 4.800 3.979 3.178 4.552 0.022 12 0 "[ . 1 . 2]" 1
256 1 16 DT H4' 1 16 DT H6 4.100 3.280 4.920 4.143 4.082 4.229 . 0 0 "[ . 1 . 2]" 1
257 1 16 DT H5' 1 16 DT H6 3.520 2.820 4.220 3.115 2.804 3.652 0.016 5 0 "[ . 1 . 2]" 1
258 1 16 DT H5'' 1 16 DT H6 4.140 3.310 4.770 4.007 3.299 4.293 0.011 2 0 "[ . 1 . 2]" 1
259 1 16 DT H6 1 16 DT M7 3.600 2.840 4.360 2.343 2.333 2.367 0.507 7 10 "[ * . +**** - .*** 2]" 1
260 1 17 DG H1' 1 17 DG H2' 3.000 2.400 3.600 3.051 3.045 3.057 . 0 0 "[ . 1 . 2]" 1
261 1 17 DG H1' 1 17 DG H2'' 2.300 . 2.760 2.401 2.392 2.411 . 0 0 "[ . 1 . 2]" 1
262 1 17 DG H1' 1 17 DG H3' 3.600 2.880 4.320 3.869 3.848 3.893 . 0 0 "[ . 1 . 2]" 1
263 1 17 DG H1' 1 17 DG H4' 3.100 2.480 3.720 3.357 3.245 3.461 . 0 0 "[ . 1 . 2]" 1
264 1 17 DG H1' 1 17 DG H8 3.900 3.120 4.680 3.716 3.642 3.812 . 0 0 "[ . 1 . 2]" 1
265 1 17 DG H1' 1 18 DG H8 3.850 3.080 4.620 4.316 3.965 4.449 . 0 0 "[ . 1 . 2]" 1
266 1 17 DG H2' 1 17 DG H8 3.920 3.140 4.700 3.501 3.154 3.709 . 0 0 "[ . 1 . 2]" 1
267 1 17 DG H2' 1 18 DG H8 3.360 2.690 4.030 2.730 2.670 3.063 0.020 6 0 "[ . 1 . 2]" 1
268 1 17 DG H2'' 1 17 DG H8 4.500 3.600 5.400 4.623 4.419 4.725 . 0 0 "[ . 1 . 2]" 1
269 1 17 DG H2'' 1 18 DG H8 2.810 2.250 3.370 2.222 2.200 2.235 0.050 11 0 "[ . 1 . 2]" 1
270 1 17 DG H3' 1 17 DG H8 4.800 3.840 5.760 4.948 4.717 5.129 . 0 0 "[ . 1 . 2]" 1
271 1 17 DG H3' 1 18 DG H8 4.500 3.600 5.400 4.192 3.952 4.626 . 0 0 "[ . 1 . 2]" 1
272 1 17 DG H4' 1 17 DG H8 4.500 3.600 5.400 4.457 4.393 4.511 . 0 0 "[ . 1 . 2]" 1
273 1 17 DG H5' 1 17 DG H8 3.470 2.770 4.170 3.199 2.735 3.818 0.035 7 0 "[ . 1 . 2]" 1
274 1 17 DG H5'' 1 17 DG H8 4.200 3.360 5.040 3.734 3.360 4.409 0.000 4 0 "[ . 1 . 2]" 1
275 1 17 DG H8 1 18 DG H8 4.860 3.890 5.830 5.746 5.458 5.861 0.031 7 0 "[ . 1 . 2]" 1
276 1 18 DG H1' 1 18 DG H2' 3.000 2.400 3.600 3.059 3.055 3.061 . 0 0 "[ . 1 . 2]" 1
277 1 18 DG H1' 1 18 DG H2'' 2.300 . 2.760 2.409 2.404 2.413 . 0 0 "[ . 1 . 2]" 1
278 1 18 DG H1' 1 18 DG H3' 3.900 3.120 4.680 3.848 3.836 3.861 . 0 0 "[ . 1 . 2]" 1
279 1 18 DG H1' 1 18 DG H4' 3.000 2.400 3.600 3.295 3.244 3.348 . 0 0 "[ . 1 . 2]" 1
280 1 18 DG H1' 1 18 DG H8 3.800 3.040 4.560 3.879 3.871 3.886 . 0 0 "[ . 1 . 2]" 1
281 1 18 DG H1' 1 19 DG H8 3.840 3.070 4.610 3.507 3.068 3.952 0.002 19 0 "[ . 1 . 2]" 1
282 1 18 DG H2' 1 18 DG H8 2.680 2.140 3.220 2.281 2.203 2.386 . 0 0 "[ . 1 . 2]" 1
283 1 18 DG H2' 1 19 DG H8 3.250 2.600 3.900 3.691 3.543 3.772 . 0 0 "[ . 1 . 2]" 1
284 1 18 DG H2'' 1 18 DG H8 3.900 3.120 4.680 3.693 3.603 3.809 . 0 0 "[ . 1 . 2]" 1
285 1 18 DG H2'' 1 19 DG H8 2.910 2.330 3.490 2.594 2.323 2.759 0.007 19 0 "[ . 1 . 2]" 1
286 1 18 DG H3' 1 18 DG H8 3.630 2.910 4.350 4.338 4.303 4.366 0.016 10 0 "[ . 1 . 2]" 1
287 1 18 DG H3' 1 19 DG H8 4.470 3.580 5.360 5.283 5.028 5.387 0.027 17 0 "[ . 1 . 2]" 1
288 1 18 DG H4' 1 18 DG H8 4.770 3.820 5.720 4.958 4.880 5.019 . 0 0 "[ . 1 . 2]" 1
289 1 18 DG H5' 1 18 DG H8 4.000 3.200 4.800 3.817 3.568 4.148 . 0 0 "[ . 1 . 2]" 1
290 1 18 DG H5'' 1 18 DG H8 5.570 4.460 6.680 4.979 4.870 5.075 . 0 0 "[ . 1 . 2]" 1
291 1 18 DG H8 1 19 DG H8 4.870 3.900 5.840 4.635 4.448 4.872 . 0 0 "[ . 1 . 2]" 1
292 1 19 DG H1' 1 19 DG H2' 2.700 2.160 3.240 2.829 2.796 2.878 . 0 0 "[ . 1 . 2]" 1
293 1 19 DG H1' 1 19 DG H2'' 2.300 . 2.760 2.340 2.329 2.350 . 0 0 "[ . 1 . 2]" 1
294 1 19 DG H1' 1 19 DG H3' 3.800 3.040 4.560 3.919 3.904 3.940 . 0 0 "[ . 1 . 2]" 1
295 1 19 DG H1' 1 19 DG H4' 3.400 2.720 4.080 3.264 3.094 3.391 . 0 0 "[ . 1 . 2]" 1
296 1 19 DG H1' 1 19 DG H8 3.830 3.060 4.600 3.707 3.673 3.772 . 0 0 "[ . 1 . 2]" 1
297 1 19 DG H1' 1 20 DT H4' 5.300 4.200 6.400 6.331 6.091 6.417 0.017 11 0 "[ . 1 . 2]" 1
298 1 19 DG H1' 1 20 DT H5' 6.000 4.800 7.200 7.127 7.015 7.202 0.002 14 0 "[ . 1 . 2]" 1
299 1 19 DG H1' 1 20 DT H6 5.000 4.000 6.000 5.583 5.186 5.738 . 0 0 "[ . 1 . 2]" 1
300 1 19 DG H2' 1 19 DG H8 3.420 2.740 4.100 3.938 3.647 4.088 . 0 0 "[ . 1 . 2]" 1
301 1 19 DG H2' 1 20 DT H6 2.500 . 3.000 2.897 2.609 3.002 0.002 5 0 "[ . 1 . 2]" 1
302 1 19 DG H2'' 1 19 DG H8 4.400 3.520 5.280 4.775 4.686 4.811 . 0 0 "[ . 1 . 2]" 1
303 1 19 DG H2'' 1 20 DT H2' 6.000 4.800 7.200 7.018 6.716 7.205 0.005 10 0 "[ . 1 . 2]" 1
304 1 19 DG H2'' 1 20 DT H3' 6.500 5.200 7.800 6.501 6.186 6.771 . 0 0 "[ . 1 . 2]" 1
305 1 19 DG H2'' 1 20 DT H6 3.900 3.120 4.680 4.470 4.227 4.580 . 0 0 "[ . 1 . 2]" 1
306 1 19 DG H3' 1 19 DG H8 4.250 3.400 5.100 3.376 3.367 3.383 0.033 20 0 "[ . 1 . 2]" 1
307 1 19 DG H3' 1 20 DT H6 3.700 2.960 4.440 3.356 2.957 3.732 0.003 7 0 "[ . 1 . 2]" 1
308 1 19 DG H4' 1 19 DG H8 4.360 3.490 5.230 4.408 4.326 4.518 . 0 0 "[ . 1 . 2]" 1
309 1 19 DG H5' 1 19 DG H8 4.160 3.330 4.990 4.228 3.976 4.625 . 0 0 "[ . 1 . 2]" 1
310 1 19 DG H5'' 1 19 DG H8 3.030 2.420 3.640 2.672 2.437 3.022 . 0 0 "[ . 1 . 2]" 1
311 1 19 DG H8 1 20 DT H6 4.800 3.800 5.800 5.052 4.521 5.313 . 0 0 "[ . 1 . 2]" 1
312 1 19 DG H8 1 20 DT M7 3.500 2.800 4.200 3.339 2.863 3.810 . 0 0 "[ . 1 . 2]" 1
313 1 19 DG O6 1 20 DT H3 4.500 3.600 5.400 5.347 4.950 5.409 0.009 17 0 "[ . 1 . 2]" 1
314 1 20 DT H1' 1 20 DT H2' 3.200 2.560 3.840 2.894 2.762 3.046 . 0 0 "[ . 1 . 2]" 1
315 1 20 DT H1' 1 20 DT H2'' 2.500 . 3.000 2.375 2.358 2.393 . 0 0 "[ . 1 . 2]" 1
316 1 20 DT H1' 1 20 DT H4' 3.000 2.400 3.600 3.484 3.447 3.552 . 0 0 "[ . 1 . 2]" 1
317 1 20 DT H1' 1 20 DT H6 3.350 2.680 4.020 3.486 3.356 3.586 . 0 0 "[ . 1 . 2]" 1
318 1 20 DT H2' 1 20 DT H3' 2.400 . 2.880 2.395 2.387 2.398 . 0 0 "[ . 1 . 2]" 1
319 1 20 DT H2' 1 20 DT H6 4.000 3.200 4.800 3.747 3.200 4.240 0.000 2 0 "[ . 1 . 2]" 1
320 1 20 DT H2'' 1 20 DT H6 4.700 3.760 5.640 4.539 4.382 4.687 . 0 0 "[ . 1 . 2]" 1
321 1 20 DT H3' 1 20 DT H6 3.800 3.040 4.560 3.896 3.247 4.603 0.043 14 0 "[ . 1 . 2]" 1
322 1 20 DT H4' 1 20 DT H6 5.000 4.000 6.000 4.021 3.974 4.084 0.026 14 0 "[ . 1 . 2]" 1
323 1 20 DT H5' 1 20 DT H6 5.010 4.010 6.010 4.036 4.001 4.147 0.009 11 0 "[ . 1 . 2]" 1
324 1 20 DT H5'' 1 20 DT H6 2.850 2.280 3.420 2.514 2.349 2.647 . 0 0 "[ . 1 . 2]" 1
325 1 20 DT H6 1 20 DT M7 2.730 2.180 3.280 2.340 2.254 2.407 . 0 0 "[ . 1 . 2]" 1
326 1 21 DA H1' 1 21 DA H2' 3.360 2.690 4.030 2.759 2.744 2.778 . 0 0 "[ . 1 . 2]" 1
327 1 21 DA H1' 1 21 DA H2'' 2.310 . 2.770 2.370 2.360 2.380 . 0 0 "[ . 1 . 2]" 1
328 1 21 DA H1' 1 21 DA H3' 3.720 2.980 4.460 3.884 3.878 3.888 . 0 0 "[ . 1 . 2]" 1
329 1 21 DA H1' 1 21 DA H4' 3.450 2.760 4.140 3.538 3.451 3.614 . 0 0 "[ . 1 . 2]" 1
330 1 21 DA H1' 1 21 DA H8 3.880 3.100 4.660 3.784 3.554 3.820 . 0 0 "[ . 1 . 2]" 1
331 1 21 DA H2' 1 21 DA H8 4.300 3.440 5.160 3.865 3.721 4.409 . 0 0 "[ . 1 . 2]" 1
332 1 21 DA H2'' 1 21 DA H8 4.170 3.340 5.000 4.625 4.580 4.895 . 0 0 "[ . 1 . 2]" 1
333 1 21 DA H3' 1 21 DA H8 3.400 2.720 4.080 2.817 2.715 3.641 0.005 10 0 "[ . 1 . 2]" 1
334 1 21 DA H4' 1 21 DA H8 4.200 3.360 5.040 4.156 4.103 4.263 . 0 0 "[ . 1 . 2]" 1
335 1 21 DA H5' 1 21 DA H8 2.300 . 2.760 2.239 2.103 2.764 0.004 9 0 "[ . 1 . 2]" 1
336 1 21 DA H5'' 1 21 DA H8 3.700 2.960 4.440 3.280 2.953 3.901 0.007 10 0 "[ . 1 . 2]" 1
337 1 22 DA H1' 1 22 DA H2' 3.430 2.740 4.120 2.800 2.760 2.841 . 0 0 "[ . 1 . 2]" 1
338 1 22 DA H1' 1 22 DA H2'' 2.310 . 2.770 2.351 2.335 2.368 . 0 0 "[ . 1 . 2]" 1
339 1 22 DA H1' 1 22 DA H8 4.140 3.310 4.970 3.803 3.598 3.894 . 0 0 "[ . 1 . 2]" 1
340 1 22 DA H2' 1 22 DA H8 3.600 2.880 4.320 3.577 2.886 4.313 . 0 0 "[ . 1 . 2]" 1
341 1 22 DA H2'' 1 22 DA H8 4.750 3.800 5.700 4.536 4.213 4.877 . 0 0 "[ . 1 . 2]" 1
342 1 22 DA H3' 1 22 DA H8 3.200 2.560 3.840 2.820 2.533 3.544 0.027 17 0 "[ . 1 . 2]" 1
343 1 22 DA H4' 1 22 DA H8 4.400 3.520 5.280 4.380 4.242 4.596 . 0 0 "[ . 1 . 2]" 1
344 1 22 DA H5' 1 22 DA H8 4.000 3.200 4.800 3.720 3.187 4.804 0.013 11 0 "[ . 1 . 2]" 1
345 1 22 DA H5'' 1 22 DA H8 4.800 3.840 5.760 4.179 3.835 4.726 0.005 1 0 "[ . 1 . 2]" 1
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