NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
643478 |
6jj0   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6jj0
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 364
_Distance_constraint_stats_list.Viol_count 778
_Distance_constraint_stats_list.Viol_total 2155.759
_Distance_constraint_stats_list.Viol_max 1.054
_Distance_constraint_stats_list.Viol_rms 0.0857
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0148
_Distance_constraint_stats_list.Viol_average_violations_only 0.1385
_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 0.002 0.002 20 0 "[ . 1 . 2]"
1 2 DG 0.251 0.067 19 0 "[ . 1 . 2]"
1 3 DA 0.508 0.040 11 0 "[ . 1 . 2]"
1 4 DG 3.130 0.325 17 0 "[ . 1 . 2]"
1 5 DG 6.901 0.388 13 0 "[ . 1 . 2]"
1 6 DG 4.470 0.388 13 0 "[ . 1 . 2]"
1 7 DT 0.144 0.031 1 0 "[ . 1 . 2]"
1 8 DG 27.828 0.947 2 20 [*+*****-************]
1 9 DG 36.868 1.054 2 20 [*+*****-************]
1 10 DG 1.128 0.470 2 0 "[ . 1 . 2]"
1 11 DT 6.327 0.387 10 0 "[ . 1 . 2]"
1 12 DA 0.038 0.007 6 0 "[ . 1 . 2]"
1 13 DG 1.294 0.187 12 0 "[ . 1 . 2]"
1 14 DG 7.796 0.457 13 0 "[ . 1 . 2]"
1 15 DG 13.912 0.864 17 4 "[ . * 1 - . + *2]"
1 16 DT 0.217 0.029 19 0 "[ . 1 . 2]"
1 17 DG 7.831 0.458 11 0 "[ . 1 . 2]"
1 18 DG 18.319 0.533 7 1 "[ . + 1 . 2]"
1 19 DG 18.911 0.533 7 3 "[ - + * . 2]"
1 20 DT 14.858 0.864 17 6 "[ - * * * . + *2]"
1 21 DA 0.318 0.023 19 0 "[ . 1 . 2]"
1 22 DA 1.011 0.043 8 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 3.052 3.051 3.054 . 0 0 "[ . 1 . 2]" 1
2 1 1 DT H1' 1 1 DT H2'' 2.300 . 2.760 2.402 2.400 2.406 . 0 0 "[ . 1 . 2]" 1
3 1 1 DT H1' 1 1 DT H3' 4.120 3.300 4.940 3.870 3.862 3.874 . 0 0 "[ . 1 . 2]" 1
4 1 1 DT H1' 1 1 DT H4' 3.330 2.660 4.000 3.355 3.278 3.374 . 0 0 "[ . 1 . 2]" 1
5 1 1 DT H1' 1 1 DT H5'' 5.000 4.000 6.000 4.511 4.408 4.571 . 0 0 "[ . 1 . 2]" 1
6 1 1 DT H1' 1 1 DT H6 2.400 . 2.880 2.258 2.254 2.265 . 0 0 "[ . 1 . 2]" 1
7 1 1 DT H1' 1 1 DT M7 5.200 4.160 6.240 4.220 4.213 4.252 . 0 0 "[ . 1 . 2]" 1
8 1 1 DT H1' 1 2 DG H8 3.800 3.000 4.860 3.770 3.603 4.237 . 0 0 "[ . 1 . 2]" 1
9 1 1 DT H2' 1 1 DT H3' 2.300 . 2.760 2.388 2.381 2.390 . 0 0 "[ . 1 . 2]" 1
10 1 1 DT H2' 1 1 DT H4' 3.830 3.060 4.600 3.883 3.880 3.893 . 0 0 "[ . 1 . 2]" 1
11 1 1 DT H2' 1 1 DT H5' 3.140 2.510 3.770 2.751 2.721 2.952 . 0 0 "[ . 1 . 2]" 1
12 1 1 DT H2' 1 1 DT H5'' 4.600 3.680 5.520 3.974 3.804 4.078 . 0 0 "[ . 1 . 2]" 1
13 1 1 DT H2' 1 1 DT H6 4.500 3.600 5.400 4.187 4.165 4.207 . 0 0 "[ . 1 . 2]" 1
14 1 1 DT H2' 1 2 DG H8 5.200 4.160 6.240 5.737 5.235 6.124 . 0 0 "[ . 1 . 2]" 1
15 1 1 DT H2'' 1 1 DT H3' 3.000 2.400 3.600 2.712 2.710 2.724 . 0 0 "[ . 1 . 2]" 1
16 1 1 DT H2'' 1 1 DT H4' 4.060 3.250 4.870 4.025 3.993 4.030 . 0 0 "[ . 1 . 2]" 1
17 1 1 DT H2'' 1 1 DT H6 4.000 3.200 4.800 3.657 3.619 3.685 . 0 0 "[ . 1 . 2]" 1
18 1 1 DT H2'' 1 2 DG H8 4.230 3.380 5.080 4.356 3.668 4.953 . 0 0 "[ . 1 . 2]" 1
19 1 1 DT H3' 1 1 DT H4' 3.200 2.560 3.840 2.721 2.715 2.744 . 0 0 "[ . 1 . 2]" 1
20 1 1 DT H3' 1 1 DT H5' 2.400 . 2.880 2.485 2.254 2.604 . 0 0 "[ . 1 . 2]" 1
21 1 1 DT H3' 1 1 DT H5'' 3.600 2.880 4.320 3.668 3.575 3.684 . 0 0 "[ . 1 . 2]" 1
22 1 1 DT H3' 1 1 DT H6 5.600 4.480 6.720 5.796 5.777 5.809 . 0 0 "[ . 1 . 2]" 1
23 1 1 DT H3' 1 2 DG H8 5.230 4.200 6.260 5.056 4.718 5.485 . 0 0 "[ . 1 . 2]" 1
24 1 1 DT H4' 1 1 DT H5' 3.000 2.400 3.600 2.989 2.925 3.008 . 0 0 "[ . 1 . 2]" 1
25 1 1 DT H4' 1 1 DT H6 5.680 4.540 6.820 5.514 5.462 5.526 . 0 0 "[ . 1 . 2]" 1
26 1 1 DT H4' 1 3 DA H2 4.720 3.780 5.660 4.921 3.902 5.662 0.002 20 0 "[ . 1 . 2]" 1
27 1 1 DT H5' 1 1 DT H6 6.000 4.800 7.200 6.012 5.937 6.282 . 0 0 "[ . 1 . 2]" 1
28 1 1 DT H5'' 1 1 DT H6 5.300 4.240 6.360 6.096 5.981 6.223 . 0 0 "[ . 1 . 2]" 1
29 1 1 DT H5'' 1 3 DA H2 5.200 4.160 6.240 4.776 4.409 5.569 . 0 0 "[ . 1 . 2]" 1
30 1 1 DT H6 1 1 DT M7 2.800 2.240 3.360 2.266 2.252 2.345 . 0 0 "[ . 1 . 2]" 1
31 1 1 DT H6 1 2 DG H8 5.520 4.420 6.620 5.336 5.011 5.629 . 0 0 "[ . 1 . 2]" 1
32 1 2 DG H1' 1 2 DG H2' 3.220 2.580 3.860 3.037 2.782 3.053 . 0 0 "[ . 1 . 2]" 1
33 1 2 DG H1' 1 2 DG H2'' 2.330 . 2.800 2.396 2.351 2.402 . 0 0 "[ . 1 . 2]" 1
34 1 2 DG H1' 1 2 DG H3' 4.140 3.310 4.970 3.878 3.867 3.925 . 0 0 "[ . 1 . 2]" 1
35 1 2 DG H1' 1 2 DG H4' 3.900 3.120 4.680 3.414 3.360 3.487 . 0 0 "[ . 1 . 2]" 1
36 1 2 DG H1' 1 2 DG H8 3.700 2.960 4.440 3.771 3.533 3.840 . 0 0 "[ . 1 . 2]" 1
37 1 2 DG H2' 1 2 DG H3' 2.300 . 2.760 2.392 2.373 2.394 . 0 0 "[ . 1 . 2]" 1
38 1 2 DG H2' 1 2 DG H4' 4.200 3.360 5.040 3.875 3.871 3.912 . 0 0 "[ . 1 . 2]" 1
39 1 2 DG H2' 1 2 DG H5' 4.400 3.520 5.280 4.262 4.175 5.302 0.022 19 0 "[ . 1 . 2]" 1
40 1 2 DG H2' 1 2 DG H5'' 4.580 3.660 5.500 3.777 3.660 4.871 . 0 0 "[ . 1 . 2]" 1
41 1 2 DG H2' 1 2 DG H8 3.700 2.960 4.440 3.324 2.994 4.330 . 0 0 "[ . 1 . 2]" 1
42 1 2 DG H2'' 1 2 DG H3' 2.700 2.160 3.240 2.722 2.704 3.036 . 0 0 "[ . 1 . 2]" 1
43 1 2 DG H2'' 1 2 DG H4' 3.860 3.090 4.630 3.992 3.023 4.048 0.067 19 0 "[ . 1 . 2]" 1
44 1 2 DG H2'' 1 2 DG H5' 5.680 4.540 6.820 5.222 5.029 5.258 . 0 0 "[ . 1 . 2]" 1
45 1 2 DG H2'' 1 2 DG H5'' 5.680 4.540 6.820 4.706 4.660 4.758 . 0 0 "[ . 1 . 2]" 1
46 1 2 DG H2'' 1 2 DG H8 4.800 3.840 5.760 4.517 4.313 4.929 . 0 0 "[ . 1 . 2]" 1
47 1 2 DG H2'' 1 3 DA H5'' 5.400 4.360 6.440 5.232 4.350 5.491 0.010 19 0 "[ . 1 . 2]" 1
48 1 2 DG H3' 1 2 DG H4' 2.610 2.090 3.130 2.718 2.700 2.980 . 0 0 "[ . 1 . 2]" 1
49 1 2 DG H3' 1 2 DG H5' 3.490 2.790 4.190 3.667 3.652 3.689 . 0 0 "[ . 1 . 2]" 1
50 1 2 DG H3' 1 2 DG H5'' 2.650 2.120 3.180 2.448 2.389 2.770 . 0 0 "[ . 1 . 2]" 1
51 1 2 DG H3' 1 2 DG H8 4.800 3.840 5.760 4.734 3.836 4.827 0.004 19 0 "[ . 1 . 2]" 1
52 1 2 DG H3' 1 3 DA H8 6.500 5.200 7.800 5.900 5.635 6.747 . 0 0 "[ . 1 . 2]" 1
53 1 2 DG H4' 1 2 DG H8 4.330 3.460 5.200 4.451 4.373 4.565 . 0 0 "[ . 1 . 2]" 1
54 1 2 DG H4' 1 3 DA H1' 4.750 3.800 5.700 4.767 4.352 5.506 . 0 0 "[ . 1 . 2]" 1
55 1 2 DG H4' 1 3 DA H3' 4.600 3.680 5.520 4.152 3.984 4.539 . 0 0 "[ . 1 . 2]" 1
56 1 2 DG H4' 1 3 DA H4' 4.200 3.360 5.040 4.380 4.139 5.005 . 0 0 "[ . 1 . 2]" 1
57 1 2 DG H4' 1 3 DA H5'' 2.700 2.160 3.240 2.359 2.247 2.951 . 0 0 "[ . 1 . 2]" 1
58 1 2 DG H4' 1 3 DA H8 3.700 2.940 4.460 3.235 2.998 4.256 . 0 0 "[ . 1 . 2]" 1
59 1 2 DG H5' 1 2 DG H8 4.000 3.200 4.800 3.521 3.411 3.723 . 0 0 "[ . 1 . 2]" 1
60 1 2 DG H5' 1 3 DA H1' 4.000 3.200 4.800 4.683 4.245 4.807 0.007 2 0 "[ . 1 . 2]" 1
61 1 2 DG H5' 1 3 DA H8 4.200 3.380 5.020 3.743 3.379 4.524 0.001 14 0 "[ . 1 . 2]" 1
62 1 2 DG H5'' 1 2 DG H8 5.500 4.400 6.600 4.396 4.381 4.399 0.019 19 0 "[ . 1 . 2]" 1
63 1 2 DG H5'' 1 3 DA H1' 4.440 3.550 5.330 4.821 4.264 5.337 0.007 11 0 "[ . 1 . 2]" 1
64 1 2 DG H5'' 1 3 DA H8 5.450 4.360 6.540 4.803 4.358 5.493 0.002 19 0 "[ . 1 . 2]" 1
65 1 3 DA H1' 1 3 DA H2 4.170 3.340 5.000 4.483 4.478 4.523 . 0 0 "[ . 1 . 2]" 1
66 1 3 DA H1' 1 3 DA H2' 3.300 2.640 3.960 2.858 2.820 2.991 . 0 0 "[ . 1 . 2]" 1
67 1 3 DA H1' 1 3 DA H2'' 2.300 . 2.760 2.341 2.330 2.359 . 0 0 "[ . 1 . 2]" 1
68 1 3 DA H1' 1 3 DA H3' 3.920 3.140 4.700 3.924 3.913 3.954 . 0 0 "[ . 1 . 2]" 1
69 1 3 DA H1' 1 3 DA H4' 3.180 2.540 3.820 3.178 2.865 3.324 . 0 0 "[ . 1 . 2]" 1
70 1 3 DA H1' 1 3 DA H5' 4.900 3.920 5.880 5.099 4.905 5.156 . 0 0 "[ . 1 . 2]" 1
71 1 3 DA H1' 1 3 DA H5'' 4.560 3.650 5.470 4.632 4.547 4.717 . 0 0 "[ . 1 . 2]" 1
72 1 3 DA H1' 1 3 DA H8 3.900 3.120 4.680 3.889 3.865 3.892 . 0 0 "[ . 1 . 2]" 1
73 1 3 DA H1' 1 4 DG H8 4.800 3.900 5.700 5.327 4.970 5.675 . 0 0 "[ . 1 . 2]" 1
74 1 3 DA H2 1 4 DG H1 4.400 3.560 5.240 4.984 3.754 5.247 0.007 11 0 "[ . 1 . 2]" 1
75 1 3 DA H2' 1 3 DA H3' 2.300 . 2.760 2.369 2.328 2.381 . 0 0 "[ . 1 . 2]" 1
76 1 3 DA H2' 1 3 DA H8 2.480 . 2.980 2.876 2.479 2.989 0.009 2 0 "[ . 1 . 2]" 1
77 1 3 DA H2' 1 4 DG H8 2.600 . 3.240 2.722 2.486 3.027 . 0 0 "[ . 1 . 2]" 1
78 1 3 DA H2'' 1 3 DA H3' 2.670 2.140 3.200 3.016 2.913 3.037 . 0 0 "[ . 1 . 2]" 1
79 1 3 DA H2'' 1 3 DA H8 4.200 3.360 5.040 4.212 3.961 4.265 . 0 0 "[ . 1 . 2]" 1
80 1 3 DA H2'' 1 4 DG H8 3.000 2.300 3.700 3.710 3.703 3.717 0.017 19 0 "[ . 1 . 2]" 1
81 1 3 DA H3' 1 3 DA H4' 3.190 2.550 3.830 2.992 2.948 3.001 . 0 0 "[ . 1 . 2]" 1
82 1 3 DA H3' 1 3 DA H5' 3.060 2.450 3.670 2.931 2.711 3.113 . 0 0 "[ . 1 . 2]" 1
83 1 3 DA H3' 1 3 DA H5'' 2.500 . 3.120 2.427 2.284 2.622 . 0 0 "[ . 1 . 2]" 1
84 1 3 DA H3' 1 3 DA H8 3.100 2.480 3.720 2.702 2.440 3.727 0.040 11 0 "[ . 1 . 2]" 1
85 1 3 DA H3' 1 4 DG H8 5.000 4.070 5.930 4.272 4.064 4.475 0.006 17 0 "[ . 1 . 2]" 1
86 1 3 DA H4' 1 3 DA H5' 2.740 2.190 3.290 2.384 2.298 2.504 . 0 0 "[ . 1 . 2]" 1
87 1 3 DA H4' 1 3 DA H5'' 2.740 2.190 3.290 3.014 2.992 3.020 . 0 0 "[ . 1 . 2]" 1
88 1 3 DA H4' 1 3 DA H8 4.900 3.920 5.880 4.618 4.532 4.882 . 0 0 "[ . 1 . 2]" 1
89 1 3 DA H5' 1 3 DA H8 4.800 3.840 5.760 4.725 4.542 5.188 . 0 0 "[ . 1 . 2]" 1
90 1 3 DA H5'' 1 3 DA H8 3.800 3.080 4.520 3.238 3.069 3.673 0.011 8 0 "[ . 1 . 2]" 1
91 1 3 DA H8 1 4 DG H8 4.700 3.800 5.600 4.805 4.268 5.266 . 0 0 "[ . 1 . 2]" 1
92 1 3 DA H8 1 17 DG H1 4.410 3.530 5.290 5.039 3.528 5.293 0.003 3 0 "[ . 1 . 2]" 1
93 1 4 DG H1 1 8 DG H8 5.500 4.400 6.600 5.303 5.100 5.496 . 0 0 "[ . 1 . 2]" 1
94 1 4 DG H1' 1 4 DG H2' 3.100 2.480 3.720 3.050 3.030 3.057 . 0 0 "[ . 1 . 2]" 1
95 1 4 DG H1' 1 4 DG H2'' 2.500 . 3.000 2.396 2.375 2.404 . 0 0 "[ . 1 . 2]" 1
96 1 4 DG H1' 1 4 DG H3' 3.900 3.120 4.680 3.879 3.854 3.939 . 0 0 "[ . 1 . 2]" 1
97 1 4 DG H1' 1 4 DG H4' 3.270 2.630 3.910 3.451 3.383 3.608 . 0 0 "[ . 1 . 2]" 1
98 1 4 DG H1' 1 4 DG H8 3.900 3.120 4.680 3.872 3.845 3.885 . 0 0 "[ . 1 . 2]" 1
99 1 4 DG H1' 1 5 DG H8 4.000 3.300 4.700 3.405 3.077 3.951 0.223 15 0 "[ . 1 . 2]" 1
100 1 4 DG H2' 1 4 DG H8 2.630 2.100 3.160 2.719 2.503 2.980 . 0 0 "[ . 1 . 2]" 1
101 1 4 DG H2' 1 5 DG H8 2.830 2.260 3.400 3.421 2.739 3.725 0.325 17 0 "[ . 1 . 2]" 1
102 1 4 DG H2'' 1 4 DG H8 3.800 3.040 4.560 4.119 3.950 4.336 . 0 0 "[ . 1 . 2]" 1
103 1 4 DG H2'' 1 5 DG H8 2.200 . 2.640 2.071 2.047 2.175 . 0 0 "[ . 1 . 2]" 1
104 1 4 DG H3' 1 4 DG H8 3.700 2.960 4.440 4.454 4.346 4.494 0.054 4 0 "[ . 1 . 2]" 1
105 1 4 DG H3' 1 5 DG H8 4.900 3.940 5.860 4.646 4.293 4.717 . 0 0 "[ . 1 . 2]" 1
106 1 4 DG H4' 1 4 DG H8 4.580 3.660 5.500 4.590 4.321 4.675 . 0 0 "[ . 1 . 2]" 1
107 1 4 DG H5' 1 4 DG H8 4.600 3.680 5.520 4.326 3.963 4.463 . 0 0 "[ . 1 . 2]" 1
108 1 4 DG H5'' 1 4 DG H8 3.000 2.400 3.600 2.809 2.494 3.613 0.013 6 0 "[ . 1 . 2]" 1
109 1 4 DG H8 1 5 DG H8 5.300 4.140 6.460 5.407 5.063 5.708 . 0 0 "[ . 1 . 2]" 1
110 1 4 DG H8 1 17 DG H1 4.800 3.840 5.760 5.174 5.060 5.324 . 0 0 "[ . 1 . 2]" 1
111 1 5 DG H1 1 9 DG H8 5.500 4.400 6.600 5.250 5.029 5.498 . 0 0 "[ . 1 . 2]" 1
112 1 5 DG H1' 1 5 DG H2' 3.000 2.400 3.600 3.057 3.052 3.062 . 0 0 "[ . 1 . 2]" 1
113 1 5 DG H1' 1 5 DG H2'' 2.500 . 3.000 2.410 2.405 2.417 . 0 0 "[ . 1 . 2]" 1
114 1 5 DG H1' 1 5 DG H3' 3.800 3.040 4.560 3.851 3.829 3.868 . 0 0 "[ . 1 . 2]" 1
115 1 5 DG H1' 1 5 DG H4' 3.200 2.560 3.840 3.283 3.209 3.325 . 0 0 "[ . 1 . 2]" 1
116 1 5 DG H1' 1 5 DG H8 4.020 3.220 4.820 3.861 3.781 3.885 . 0 0 "[ . 1 . 2]" 1
117 1 5 DG H1' 1 6 DG H8 4.500 3.660 5.340 3.819 3.442 4.197 0.218 2 0 "[ . 1 . 2]" 1
118 1 5 DG H2' 1 5 DG H8 3.000 2.400 3.600 2.686 2.391 3.267 0.009 19 0 "[ . 1 . 2]" 1
119 1 5 DG H2' 1 6 DG H8 2.760 2.200 3.320 3.456 2.965 3.708 0.388 13 0 "[ . 1 . 2]" 1
120 1 5 DG H2'' 1 5 DG H8 4.300 3.440 5.160 4.056 3.813 4.476 . 0 0 "[ . 1 . 2]" 1
121 1 5 DG H2'' 1 6 DG H8 2.500 . 3.000 2.350 2.091 2.682 . 0 0 "[ . 1 . 2]" 1
122 1 5 DG H3' 1 5 DG H8 4.400 3.520 5.280 4.498 4.341 4.841 . 0 0 "[ . 1 . 2]" 1
123 1 5 DG H3' 1 6 DG H8 4.900 4.000 5.800 4.929 4.503 5.230 . 0 0 "[ . 1 . 2]" 1
124 1 5 DG H4' 1 5 DG H8 4.700 3.760 5.640 4.751 4.532 4.893 . 0 0 "[ . 1 . 2]" 1
125 1 5 DG H5' 1 5 DG H8 5.000 4.000 6.000 4.219 3.989 4.782 0.011 11 0 "[ . 1 . 2]" 1
126 1 5 DG H5'' 1 5 DG H8 4.300 3.440 5.160 4.304 3.421 4.841 0.019 16 0 "[ . 1 . 2]" 1
127 1 5 DG H8 1 6 DG H8 5.500 4.340 6.660 5.203 4.587 5.818 . 0 0 "[ . 1 . 2]" 1
128 1 5 DG H8 1 18 DG H1 4.990 3.000 6.980 5.163 4.954 5.352 . 0 0 "[ . 1 . 2]" 1
129 1 6 DG H1 1 10 DG H8 5.200 4.160 6.240 5.330 5.175 5.441 . 0 0 "[ . 1 . 2]" 1
130 1 6 DG H1 1 22 DA H1' 4.500 3.600 5.400 4.486 3.818 4.899 . 0 0 "[ . 1 . 2]" 1
131 1 6 DG H1 1 22 DA H2 5.500 4.440 6.560 4.851 4.430 5.826 0.010 17 0 "[ . 1 . 2]" 1
132 1 6 DG H1 1 22 DA H2' 6.000 4.820 7.180 6.151 5.833 6.639 . 0 0 "[ . 1 . 2]" 1
133 1 6 DG H1 1 22 DA H2'' 5.800 4.640 6.960 6.490 5.864 6.961 0.001 15 0 "[ . 1 . 2]" 1
134 1 6 DG H1 1 22 DA H8 5.000 4.000 6.000 4.837 4.198 5.462 . 0 0 "[ . 1 . 2]" 1
135 1 6 DG H1' 1 6 DG H2' 3.100 2.480 3.720 3.058 3.052 3.063 . 0 0 "[ . 1 . 2]" 1
136 1 6 DG H1' 1 6 DG H2'' 2.500 . 3.000 2.411 2.399 2.422 . 0 0 "[ . 1 . 2]" 1
137 1 6 DG H1' 1 6 DG H3' 3.800 3.040 4.560 3.847 3.823 3.873 . 0 0 "[ . 1 . 2]" 1
138 1 6 DG H1' 1 6 DG H4' 3.000 2.400 3.600 3.242 3.076 3.396 . 0 0 "[ . 1 . 2]" 1
139 1 6 DG H1' 1 6 DG H8 3.660 2.930 4.390 3.867 3.779 3.889 . 0 0 "[ . 1 . 2]" 1
140 1 6 DG H1' 1 22 DA H1' 4.300 3.400 5.200 4.603 3.850 5.201 0.001 13 0 "[ . 1 . 2]" 1
141 1 6 DG H2' 1 6 DG H8 2.720 2.180 3.260 2.518 2.171 3.279 0.019 18 0 "[ . 1 . 2]" 1
142 1 6 DG H2'' 1 6 DG H8 4.000 3.200 4.800 3.899 3.562 4.484 . 0 0 "[ . 1 . 2]" 1
143 1 6 DG H3' 1 6 DG H8 4.700 3.760 5.640 4.434 4.291 4.837 . 0 0 "[ . 1 . 2]" 1
144 1 6 DG H4' 1 6 DG H8 5.000 4.000 6.000 4.868 4.618 5.086 . 0 0 "[ . 1 . 2]" 1
145 1 6 DG H5' 1 6 DG H8 4.350 3.480 5.220 4.036 3.456 5.001 0.024 7 0 "[ . 1 . 2]" 1
146 1 6 DG H5'' 1 6 DG H8 4.700 3.740 5.660 4.683 3.697 5.173 0.043 18 0 "[ . 1 . 2]" 1
147 1 6 DG H8 1 19 DG H1 5.800 4.640 6.960 5.397 5.257 5.533 . 0 0 "[ . 1 . 2]" 1
148 1 6 DG H8 1 22 DA H5' 6.200 4.960 7.440 6.469 5.741 7.445 0.005 16 0 "[ . 1 . 2]" 1
149 1 6 DG H8 1 22 DA H8 5.200 4.140 6.260 5.159 4.669 5.840 . 0 0 "[ . 1 . 2]" 1
150 1 7 DT H1' 1 7 DT H6 3.200 2.560 3.840 3.537 3.403 3.662 . 0 0 "[ . 1 . 2]" 1
151 1 7 DT H2' 1 7 DT H6 3.600 2.880 4.320 3.444 2.849 4.109 0.031 1 0 "[ . 1 . 2]" 1
152 1 7 DT H2'' 1 7 DT H6 4.000 3.200 4.800 4.452 4.163 4.683 . 0 0 "[ . 1 . 2]" 1
153 1 7 DT H3' 1 7 DT H6 4.050 3.240 4.860 4.263 3.232 4.823 0.008 6 0 "[ . 1 . 2]" 1
154 1 7 DT H4' 1 7 DT H6 4.000 3.200 4.800 4.120 3.928 4.399 . 0 0 "[ . 1 . 2]" 1
155 1 7 DT H5' 1 7 DT H6 4.000 3.200 4.800 3.530 3.181 4.040 0.019 7 0 "[ . 1 . 2]" 1
156 1 7 DT H5'' 1 7 DT H6 2.700 2.160 3.240 2.624 2.153 3.162 0.007 18 0 "[ . 1 . 2]" 1
157 1 7 DT H6 1 7 DT M7 2.480 . 2.980 2.307 2.251 2.394 . 0 0 "[ . 1 . 2]" 1
158 1 8 DG H1 1 13 DG H8 5.200 4.160 6.240 5.207 5.070 5.316 . 0 0 "[ . 1 . 2]" 1
159 1 8 DG H1' 1 8 DG Q2' . 2.480 3.000 2.313 2.304 2.322 0.176 11 0 "[ . 1 . 2]" 1
160 1 8 DG H1' 1 8 DG H3' 3.700 2.960 4.440 3.882 3.853 3.907 . 0 0 "[ . 1 . 2]" 1
161 1 8 DG H1' 1 8 DG H4' 3.500 2.800 4.200 3.435 3.308 3.543 . 0 0 "[ . 1 . 2]" 1
162 1 8 DG H1' 1 8 DG H8 3.830 3.060 4.600 3.797 3.682 3.824 . 0 0 "[ . 1 . 2]" 1
163 1 8 DG H1' 1 9 DG H8 5.000 3.970 6.030 4.534 4.366 4.608 . 0 0 "[ . 1 . 2]" 1
164 1 8 DG Q2' 1 8 DG H8 3.740 3.600 4.350 3.143 3.051 3.506 0.549 17 10 "[ *** **- ** * + 2]" 1
165 1 8 DG Q2' 1 9 DG H8 . 3.080 3.600 2.318 2.133 2.556 0.947 2 20 [*+*****-************] 1
166 1 8 DG H3' 1 8 DG H8 4.800 3.840 5.760 4.734 4.650 5.014 . 0 0 "[ . 1 . 2]" 1
167 1 8 DG H3' 1 9 DG H8 4.000 3.200 4.800 4.335 3.908 4.858 0.058 8 0 "[ . 1 . 2]" 1
168 1 8 DG H4' 1 8 DG H8 4.600 3.680 5.520 4.449 4.338 4.574 . 0 0 "[ . 1 . 2]" 1
169 1 8 DG H5' 1 8 DG H8 3.180 2.540 3.820 3.030 2.534 3.618 0.006 19 0 "[ . 1 . 2]" 1
170 1 8 DG H5'' 1 8 DG H8 4.400 3.520 5.280 4.051 3.508 4.517 0.012 4 0 "[ . 1 . 2]" 1
171 1 8 DG H8 1 9 DG H8 5.800 4.600 7.000 5.594 5.205 5.858 . 0 0 "[ . 1 . 2]" 1
172 1 9 DG H1 1 14 DG H8 5.200 4.160 6.240 5.210 4.968 5.390 . 0 0 "[ . 1 . 2]" 1
173 1 9 DG H1' 1 9 DG Q2' 2.900 2.320 3.000 2.311 2.273 2.320 0.047 11 0 "[ . 1 . 2]" 1
174 1 9 DG H1' 1 9 DG H3' 3.900 3.120 4.680 3.886 3.866 3.950 . 0 0 "[ . 1 . 2]" 1
175 1 9 DG H1' 1 9 DG H4' 3.000 2.400 3.600 3.321 2.881 3.458 . 0 0 "[ . 1 . 2]" 1
176 1 9 DG H1' 1 9 DG H8 3.900 . 81.900 3.848 3.820 3.860 . 0 0 "[ . 1 . 2]" 1
177 1 9 DG H1' 1 10 DG H8 4.900 3.920 5.880 4.317 3.450 4.563 0.470 2 0 "[ . 1 . 2]" 1
178 1 9 DG Q2' 1 9 DG H8 . 3.880 4.440 2.892 2.826 3.103 1.054 2 20 [*+********-*********] 1
179 1 9 DG H3' 1 9 DG H8 3.740 2.990 4.490 4.498 3.955 4.555 0.065 17 0 "[ . 1 . 2]" 1
180 1 9 DG H3' 1 10 DG H8 4.200 3.360 5.040 4.709 4.203 5.142 0.102 6 0 "[ . 1 . 2]" 1
181 1 9 DG H4' 1 9 DG H8 5.100 4.080 6.120 4.592 4.478 4.698 . 0 0 "[ . 1 . 2]" 1
182 1 9 DG H5' 1 9 DG H8 5.400 4.320 6.480 4.511 4.313 5.116 0.007 3 0 "[ . 1 . 2]" 1
183 1 9 DG H5'' 1 9 DG H8 3.500 2.800 4.200 2.931 2.791 3.757 0.009 7 0 "[ . 1 . 2]" 1
184 1 9 DG H8 1 10 DG H8 5.200 4.240 6.160 5.632 5.320 5.795 . 0 0 "[ . 1 . 2]" 1
185 1 10 DG H1 1 15 DG H8 5.800 4.640 6.960 5.385 5.265 5.495 . 0 0 "[ . 1 . 2]" 1
186 1 10 DG H1' 1 10 DG H2' 3.100 2.480 3.720 3.054 3.047 3.057 . 0 0 "[ . 1 . 2]" 1
187 1 10 DG H1' 1 10 DG H2'' 2.500 . 3.000 2.406 2.395 2.412 . 0 0 "[ . 1 . 2]" 1
188 1 10 DG H1' 1 10 DG H3' 3.800 3.040 4.560 3.860 3.847 3.889 . 0 0 "[ . 1 . 2]" 1
189 1 10 DG H1' 1 10 DG H4' 3.100 2.480 3.720 3.310 3.188 3.440 . 0 0 "[ . 1 . 2]" 1
190 1 10 DG H1' 1 10 DG H8 3.700 2.960 4.440 3.840 3.803 3.867 . 0 0 "[ . 1 . 2]" 1
191 1 10 DG H1' 1 22 DA H2 5.500 4.400 6.600 5.612 4.972 6.471 . 0 0 "[ . 1 . 2]" 1
192 1 10 DG H2' 1 10 DG H8 3.500 2.800 4.000 2.983 2.767 3.190 0.033 2 0 "[ . 1 . 2]" 1
193 1 10 DG H2' 1 22 DA H2 4.300 3.440 5.160 4.038 3.644 5.171 0.011 2 0 "[ . 1 . 2]" 1
194 1 10 DG H2'' 1 10 DG H8 4.800 3.840 5.760 4.299 4.140 4.438 . 0 0 "[ . 1 . 2]" 1
195 1 10 DG H2'' 1 22 DA H2 4.500 3.480 5.520 4.681 3.830 5.341 . 0 0 "[ . 1 . 2]" 1
196 1 10 DG H3' 1 10 DG H8 4.000 3.200 4.800 4.623 4.469 4.759 . 0 0 "[ . 1 . 2]" 1
197 1 10 DG H4' 1 10 DG H8 4.000 3.200 4.800 4.605 4.467 4.745 . 0 0 "[ . 1 . 2]" 1
198 1 10 DG H5' 1 10 DG H8 4.500 3.600 5.400 4.566 4.166 4.698 . 0 0 "[ . 1 . 2]" 1
199 1 10 DG H5'' 1 10 DG H8 3.840 3.070 4.610 3.150 3.059 4.666 0.056 2 0 "[ . 1 . 2]" 1
200 1 10 DG H8 1 22 DA H2 4.800 3.840 5.760 4.321 3.838 5.414 0.002 12 0 "[ . 1 . 2]" 1
201 1 11 DT H1' 1 11 DT H6 3.670 2.940 4.400 3.587 3.473 3.678 . 0 0 "[ . 1 . 2]" 1
202 1 11 DT H2' 1 11 DT H6 3.430 2.740 4.120 3.599 2.723 4.023 0.017 4 0 "[ . 1 . 2]" 1
203 1 11 DT H2'' 1 11 DT H6 4.000 3.200 4.800 4.394 4.087 4.599 . 0 0 "[ . 1 . 2]" 1
204 1 11 DT H3' 1 11 DT H6 3.440 2.750 4.130 3.090 2.740 4.173 0.043 4 0 "[ . 1 . 2]" 1
205 1 11 DT H6 1 11 DT M7 3.300 2.640 3.960 2.334 2.253 2.401 0.387 10 0 "[ . 1 . 2]" 1
206 1 12 DA H1' 1 12 DA H8 3.460 2.770 4.150 3.830 3.795 3.885 . 0 0 "[ . 1 . 2]" 1
207 1 12 DA H2' 1 12 DA H8 3.170 2.530 3.810 3.179 2.697 3.817 0.007 6 0 "[ . 1 . 2]" 1
208 1 12 DA H2'' 1 12 DA H8 4.690 3.750 5.630 4.409 4.102 4.631 . 0 0 "[ . 1 . 2]" 1
209 1 12 DA H3' 1 12 DA H8 3.800 2.840 4.760 4.381 2.833 4.716 0.007 6 0 "[ . 1 . 2]" 1
210 1 13 DG H1 1 17 DG H8 5.200 4.160 6.240 5.231 5.034 5.420 . 0 0 "[ . 1 . 2]" 1
211 1 13 DG H1' 1 13 DG H2' 2.900 2.320 3.480 3.054 3.043 3.059 . 0 0 "[ . 1 . 2]" 1
212 1 13 DG H1' 1 13 DG H2'' 2.200 . 2.640 2.405 2.391 2.415 . 0 0 "[ . 1 . 2]" 1
213 1 13 DG H1' 1 13 DG H3' 3.800 3.040 4.560 3.861 3.837 3.896 . 0 0 "[ . 1 . 2]" 1
214 1 13 DG H1' 1 13 DG H4' 3.200 2.560 3.840 3.331 3.195 3.494 . 0 0 "[ . 1 . 2]" 1
215 1 13 DG H1' 1 13 DG H8 4.000 3.200 4.800 3.834 3.793 3.882 . 0 0 "[ . 1 . 2]" 1
216 1 13 DG H1' 1 14 DG H8 4.300 3.440 5.160 3.784 3.346 4.604 0.094 1 0 "[ . 1 . 2]" 1
217 1 13 DG H2' 1 13 DG H8 3.000 2.400 3.600 3.012 2.613 3.222 . 0 0 "[ . 1 . 2]" 1
218 1 13 DG H2' 1 14 DG H8 2.830 2.270 3.390 3.244 2.605 3.577 0.187 12 0 "[ . 1 . 2]" 1
219 1 13 DG H2'' 1 13 DG H8 4.500 3.600 5.400 4.316 4.014 4.472 . 0 0 "[ . 1 . 2]" 1
220 1 13 DG H2'' 1 14 DG H8 2.500 . 3.040 2.077 1.941 2.468 0.019 7 0 "[ . 1 . 2]" 1
221 1 13 DG H3' 1 13 DG H8 3.900 3.120 4.680 4.644 4.449 4.713 0.033 18 0 "[ . 1 . 2]" 1
222 1 13 DG H3' 1 14 DG H8 4.000 3.200 4.800 4.497 4.071 4.719 . 0 0 "[ . 1 . 2]" 1
223 1 13 DG H4' 1 13 DG H8 4.800 3.840 5.760 4.583 4.403 4.787 . 0 0 "[ . 1 . 2]" 1
224 1 13 DG H5' 1 13 DG H8 4.130 3.290 4.970 3.491 3.269 3.963 0.021 19 0 "[ . 1 . 2]" 1
225 1 13 DG H5'' 1 13 DG H8 4.500 3.600 5.400 4.221 3.590 4.699 0.010 16 0 "[ . 1 . 2]" 1
226 1 13 DG H8 1 14 DG H8 5.800 4.740 6.860 5.603 5.345 5.851 . 0 0 "[ . 1 . 2]" 1
227 1 14 DG H1 1 18 DG H8 5.800 4.640 6.960 5.249 5.030 5.477 . 0 0 "[ . 1 . 2]" 1
228 1 14 DG H1' 1 14 DG H2' 3.000 2.400 3.600 3.056 3.051 3.059 . 0 0 "[ . 1 . 2]" 1
229 1 14 DG H1' 1 14 DG H2'' 2.200 . 2.640 2.408 2.399 2.419 . 0 0 "[ . 1 . 2]" 1
230 1 14 DG H1' 1 14 DG H3' 3.900 3.120 4.680 3.853 3.834 3.875 . 0 0 "[ . 1 . 2]" 1
231 1 14 DG H1' 1 14 DG H4' 2.950 2.360 3.540 3.299 3.142 3.396 . 0 0 "[ . 1 . 2]" 1
232 1 14 DG H1' 1 14 DG H8 3.800 3.040 4.560 3.879 3.809 3.888 . 0 0 "[ . 1 . 2]" 1
233 1 14 DG H1' 1 15 DG H8 4.400 3.520 5.280 3.833 3.417 4.480 0.103 7 0 "[ . 1 . 2]" 1
234 1 14 DG H2' 1 14 DG H8 2.900 2.320 3.480 2.519 2.309 3.150 0.011 13 0 "[ . 1 . 2]" 1
235 1 14 DG H2' 1 15 DG H8 2.920 2.340 3.500 3.827 3.447 3.957 0.457 13 0 "[ . 1 . 2]" 1
236 1 14 DG H2'' 1 14 DG H8 4.200 3.360 5.040 3.926 3.730 4.399 . 0 0 "[ . 1 . 2]" 1
237 1 14 DG H2'' 1 15 DG H8 2.700 2.160 3.240 2.477 2.148 2.860 0.012 2 0 "[ . 1 . 2]" 1
238 1 14 DG H3' 1 14 DG H8 4.480 3.590 5.370 4.414 4.317 4.753 . 0 0 "[ . 1 . 2]" 1
239 1 14 DG H3' 1 15 DG H8 5.200 4.160 6.240 5.061 4.693 5.358 . 0 0 "[ . 1 . 2]" 1
240 1 14 DG H4' 1 14 DG H8 4.700 3.760 5.640 4.816 4.655 4.963 . 0 0 "[ . 1 . 2]" 1
241 1 14 DG H5' 1 14 DG H8 4.200 3.360 5.040 3.921 3.567 4.882 . 0 0 "[ . 1 . 2]" 1
242 1 14 DG H5'' 1 14 DG H8 4.840 3.670 6.010 4.633 3.645 4.975 0.025 17 0 "[ . 1 . 2]" 1
243 1 14 DG H8 1 15 DG H8 5.400 4.240 6.560 5.494 5.100 5.811 . 0 0 "[ . 1 . 2]" 1
244 1 15 DG H1 1 19 DG H8 5.300 4.240 6.360 5.281 5.177 5.434 . 0 0 "[ . 1 . 2]" 1
245 1 15 DG H1 1 20 DT M7 5.100 4.100 6.100 3.814 3.236 5.252 0.864 17 4 "[ . * 1 - . + *2]" 1
246 1 15 DG H1' 1 15 DG H2' 3.000 2.400 3.600 3.050 2.983 3.063 . 0 0 "[ . 1 . 2]" 1
247 1 15 DG H1' 1 15 DG H2'' 2.300 . 2.760 2.405 2.357 2.417 . 0 0 "[ . 1 . 2]" 1
248 1 15 DG H1' 1 15 DG H3' 3.700 2.960 4.440 3.861 3.833 3.946 . 0 0 "[ . 1 . 2]" 1
249 1 15 DG H1' 1 15 DG H4' 3.000 2.400 3.600 3.194 2.866 3.388 . 0 0 "[ . 1 . 2]" 1
250 1 15 DG H1' 1 15 DG H8 4.020 3.220 4.820 3.872 3.820 3.888 . 0 0 "[ . 1 . 2]" 1
251 1 15 DG H2' 1 15 DG H8 2.740 2.190 3.290 2.393 2.182 3.114 0.008 13 0 "[ . 1 . 2]" 1
252 1 15 DG H2'' 1 15 DG H8 4.100 3.280 4.920 3.799 3.577 4.380 . 0 0 "[ . 1 . 2]" 1
253 1 15 DG H3' 1 15 DG H8 4.200 3.360 5.040 4.294 3.804 4.694 . 0 0 "[ . 1 . 2]" 1
254 1 15 DG H4' 1 15 DG H8 5.010 4.010 6.010 4.942 4.707 5.096 . 0 0 "[ . 1 . 2]" 1
255 1 15 DG H5' 1 15 DG H8 4.000 3.200 5.060 4.306 3.594 4.986 . 0 0 "[ . 1 . 2]" 1
256 1 15 DG H5'' 1 15 DG H8 5.140 4.110 6.170 4.909 4.075 5.373 0.035 20 0 "[ . 1 . 2]" 1
257 1 16 DT H1' 1 16 DT H6 3.600 2.880 4.320 3.599 3.516 3.704 . 0 0 "[ . 1 . 2]" 1
258 1 16 DT H2' 1 16 DT H6 3.180 2.540 3.820 3.151 2.527 3.844 0.024 6 0 "[ . 1 . 2]" 1
259 1 16 DT H2'' 1 16 DT H6 4.100 3.280 4.920 4.324 3.917 4.574 . 0 0 "[ . 1 . 2]" 1
260 1 16 DT H3' 1 16 DT H6 4.000 3.200 4.800 4.372 3.177 4.603 0.023 6 0 "[ . 1 . 2]" 1
261 1 16 DT H4' 1 16 DT H6 4.100 3.280 4.920 4.192 4.079 4.493 . 0 0 "[ . 1 . 2]" 1
262 1 16 DT H5' 1 16 DT H6 3.520 2.820 4.220 3.013 2.814 3.564 0.006 13 0 "[ . 1 . 2]" 1
263 1 16 DT H5'' 1 16 DT H6 4.140 3.310 4.770 3.827 3.281 4.310 0.029 19 0 "[ . 1 . 2]" 1
264 1 16 DT H6 1 16 DT M7 2.800 2.240 3.360 2.351 2.339 2.396 . 0 0 "[ . 1 . 2]" 1
265 1 17 DG H1' 1 17 DG H2' 3.000 2.400 3.600 3.050 3.040 3.063 . 0 0 "[ . 1 . 2]" 1
266 1 17 DG H1' 1 17 DG H2'' 2.300 . 2.760 2.399 2.385 2.414 . 0 0 "[ . 1 . 2]" 1
267 1 17 DG H1' 1 17 DG H3' 3.600 2.880 4.320 3.874 3.829 3.909 . 0 0 "[ . 1 . 2]" 1
268 1 17 DG H1' 1 17 DG H4' 3.100 2.480 3.720 3.383 3.259 3.534 . 0 0 "[ . 1 . 2]" 1
269 1 17 DG H1' 1 17 DG H8 3.900 3.120 4.680 3.747 3.686 3.818 . 0 0 "[ . 1 . 2]" 1
270 1 17 DG H1' 1 18 DG H8 5.000 4.000 6.000 4.332 3.850 4.536 0.150 11 0 "[ . 1 . 2]" 1
271 1 17 DG H2' 1 17 DG H8 3.920 3.140 4.700 3.402 3.134 3.596 0.006 11 0 "[ . 1 . 2]" 1
272 1 17 DG H2' 1 18 DG H8 2.600 2.080 3.120 2.855 2.672 3.492 0.372 11 0 "[ . 1 . 2]" 1
273 1 17 DG H2'' 1 17 DG H8 4.500 3.600 5.400 4.569 4.385 4.672 . 0 0 "[ . 1 . 2]" 1
274 1 17 DG H2'' 1 18 DG H8 3.140 2.510 3.770 2.217 2.193 2.244 0.317 11 0 "[ . 1 . 2]" 1
275 1 17 DG H3' 1 17 DG H8 4.800 3.840 5.760 4.871 4.722 5.036 . 0 0 "[ . 1 . 2]" 1
276 1 17 DG H3' 1 18 DG H8 3.600 2.940 4.260 4.175 3.801 4.718 0.458 11 0 "[ . 1 . 2]" 1
277 1 17 DG H4' 1 17 DG H8 4.500 3.600 5.400 4.451 4.320 4.609 . 0 0 "[ . 1 . 2]" 1
278 1 17 DG H5' 1 17 DG H8 2.600 2.080 3.120 2.915 2.361 3.126 0.006 10 0 "[ . 1 . 2]" 1
279 1 17 DG H5'' 1 17 DG H8 3.500 2.800 4.200 3.468 3.152 3.778 . 0 0 "[ . 1 . 2]" 1
280 1 17 DG H8 1 18 DG H8 6.500 5.300 7.700 5.837 5.778 5.856 . 0 0 "[ . 1 . 2]" 1
281 1 18 DG H1' 1 18 DG H2' 3.000 2.400 3.600 3.058 3.054 3.061 . 0 0 "[ . 1 . 2]" 1
282 1 18 DG H1' 1 18 DG H2'' 2.300 . 2.760 2.409 2.403 2.417 . 0 0 "[ . 1 . 2]" 1
283 1 18 DG H1' 1 18 DG H3' 3.900 3.120 4.680 3.850 3.834 3.865 . 0 0 "[ . 1 . 2]" 1
284 1 18 DG H1' 1 18 DG H4' 3.000 2.400 3.600 3.298 3.176 3.363 . 0 0 "[ . 1 . 2]" 1
285 1 18 DG H1' 1 18 DG H8 3.800 3.040 4.560 3.874 3.862 3.888 . 0 0 "[ . 1 . 2]" 1
286 1 18 DG H1' 1 19 DG H8 4.450 3.550 5.350 3.312 3.081 3.678 0.469 6 0 "[ . 1 . 2]" 1
287 1 18 DG H2' 1 18 DG H8 2.680 2.140 3.220 2.245 2.159 2.454 . 0 0 "[ . 1 . 2]" 1
288 1 18 DG H2' 1 19 DG H8 3.500 2.800 4.200 3.613 3.418 3.909 . 0 0 "[ . 1 . 2]" 1
289 1 18 DG H2'' 1 18 DG H8 3.900 3.120 4.680 3.653 3.544 3.877 . 0 0 "[ . 1 . 2]" 1
290 1 18 DG H2'' 1 19 DG H8 3.100 2.500 3.700 2.443 2.314 2.668 0.186 9 0 "[ . 1 . 2]" 1
291 1 18 DG H3' 1 18 DG H8 3.650 2.920 4.380 4.323 4.293 4.383 0.003 17 0 "[ . 1 . 2]" 1
292 1 18 DG H3' 1 19 DG H8 5.700 4.560 6.840 5.139 5.014 5.366 . 0 0 "[ . 1 . 2]" 1
293 1 18 DG H4' 1 18 DG H8 4.770 3.820 5.720 4.980 4.824 5.097 . 0 0 "[ . 1 . 2]" 1
294 1 18 DG H5' 1 18 DG H8 4.000 3.200 4.800 4.006 3.608 4.711 . 0 0 "[ . 1 . 2]" 1
295 1 18 DG H5'' 1 18 DG H8 5.400 4.320 6.480 4.973 4.694 5.098 . 0 0 "[ . 1 . 2]" 1
296 1 18 DG H8 1 19 DG H8 5.700 4.680 6.720 4.563 4.147 5.420 0.533 7 1 "[ . + 1 . 2]" 1
297 1 19 DG H1 1 22 DA H8 4.800 3.840 5.760 5.057 4.464 5.765 0.005 20 0 "[ . 1 . 2]" 1
298 1 19 DG H1' 1 19 DG H2' 2.700 2.160 3.240 2.835 2.816 3.035 . 0 0 "[ . 1 . 2]" 1
299 1 19 DG H1' 1 19 DG H2'' 2.300 . 2.760 2.342 2.338 2.382 . 0 0 "[ . 1 . 2]" 1
300 1 19 DG H1' 1 19 DG H3' 3.800 3.040 4.560 3.919 3.915 3.924 . 0 0 "[ . 1 . 2]" 1
301 1 19 DG H1' 1 19 DG H4' 3.400 2.720 4.080 3.285 3.226 3.454 . 0 0 "[ . 1 . 2]" 1
302 1 19 DG H1' 1 19 DG H8 3.830 3.060 4.600 3.711 3.699 3.848 . 0 0 "[ . 1 . 2]" 1
303 1 19 DG H1' 1 20 DT H6 5.500 4.400 6.600 5.820 5.606 6.017 . 0 0 "[ . 1 . 2]" 1
304 1 19 DG H1' 1 20 DT M7 5.000 4.000 6.000 5.133 4.994 5.543 . 0 0 "[ . 1 . 2]" 1
305 1 19 DG H2' 1 19 DG H8 3.300 2.640 3.960 3.907 2.951 3.975 0.015 8 0 "[ . 1 . 2]" 1
306 1 19 DG H2' 1 20 DT H6 2.900 2.320 3.480 3.190 2.943 3.493 0.013 2 0 "[ . 1 . 2]" 1
307 1 19 DG H2' 1 20 DT M7 3.600 2.880 4.320 3.556 3.230 3.988 . 0 0 "[ . 1 . 2]" 1
308 1 19 DG H2'' 1 19 DG H8 4.400 3.520 5.280 4.759 4.308 4.787 . 0 0 "[ . 1 . 2]" 1
309 1 19 DG H2'' 1 20 DT H6 4.500 3.600 5.400 4.672 3.555 5.175 0.045 2 0 "[ . 1 . 2]" 1
310 1 19 DG H3' 1 19 DG H8 4.250 3.400 5.100 3.423 3.358 4.469 0.042 9 0 "[ . 1 . 2]" 1
311 1 19 DG H3' 1 20 DT H6 4.100 3.280 4.920 4.190 3.931 4.754 . 0 0 "[ . 1 . 2]" 1
312 1 19 DG H3' 1 20 DT M7 5.260 4.210 6.310 3.857 3.693 4.756 0.517 10 2 "[ - + . 2]" 1
313 1 19 DG H4' 1 19 DG H8 4.360 3.490 5.230 4.403 4.374 4.491 . 0 0 "[ . 1 . 2]" 1
314 1 19 DG H5' 1 19 DG H8 4.160 3.330 4.990 4.275 4.125 4.463 . 0 0 "[ . 1 . 2]" 1
315 1 19 DG H5'' 1 19 DG H8 3.030 2.420 3.640 2.721 2.614 3.420 . 0 0 "[ . 1 . 2]" 1
316 1 19 DG H8 1 20 DT M7 3.500 2.800 4.200 3.594 3.311 4.034 . 0 0 "[ . 1 . 2]" 1
317 1 20 DT H1' 1 20 DT H2' 3.200 2.560 3.840 3.056 3.052 3.060 . 0 0 "[ . 1 . 2]" 1
318 1 20 DT H1' 1 20 DT H2'' 2.500 . 3.000 2.409 2.404 2.417 . 0 0 "[ . 1 . 2]" 1
319 1 20 DT H1' 1 20 DT H4' 3.000 2.400 3.600 3.314 3.183 3.375 . 0 0 "[ . 1 . 2]" 1
320 1 20 DT H1' 1 20 DT H6 3.350 2.680 4.020 3.658 3.628 3.710 . 0 0 "[ . 1 . 2]" 1
321 1 20 DT H1' 1 21 DA H1' 5.500 4.400 6.600 4.936 4.460 5.224 . 0 0 "[ . 1 . 2]" 1
322 1 20 DT H1' 1 21 DA H5' 4.700 3.760 5.640 5.291 4.966 5.444 . 0 0 "[ . 1 . 2]" 1
323 1 20 DT H1' 1 21 DA H5'' 4.770 3.820 5.720 5.021 4.448 5.721 0.001 1 0 "[ . 1 . 2]" 1
324 1 20 DT H1' 1 21 DA H8 4.740 3.790 5.690 4.572 4.428 4.871 . 0 0 "[ . 1 . 2]" 1
325 1 20 DT H1' 1 22 DA H8 5.300 4.240 6.360 5.675 5.250 6.361 0.001 20 0 "[ . 1 . 2]" 1
326 1 20 DT H2' 1 20 DT H6 3.000 2.400 3.600 2.842 2.477 3.009 . 0 0 "[ . 1 . 2]" 1
327 1 20 DT H2' 1 21 DA H8 2.500 . 3.000 2.740 2.562 3.005 0.005 20 0 "[ . 1 . 2]" 1
328 1 20 DT H2'' 1 20 DT H6 3.700 2.960 4.440 4.146 3.875 4.261 . 0 0 "[ . 1 . 2]" 1
329 1 20 DT H2'' 1 21 DA H8 2.600 2.080 3.120 2.269 2.155 2.591 . 0 0 "[ . 1 . 2]" 1
330 1 20 DT H3' 1 20 DT H6 4.000 3.200 4.800 4.391 4.219 4.474 . 0 0 "[ . 1 . 2]" 1
331 1 20 DT H3' 1 21 DA H8 4.200 3.360 5.040 3.879 3.717 4.378 . 0 0 "[ . 1 . 2]" 1
332 1 20 DT H4' 1 20 DT H6 5.000 4.000 6.000 4.284 4.206 4.508 . 0 0 "[ . 1 . 2]" 1
333 1 20 DT H5' 1 20 DT H6 5.010 4.010 6.010 4.264 4.179 4.557 . 0 0 "[ . 1 . 2]" 1
334 1 20 DT H5'' 1 20 DT H6 3.300 2.640 3.960 2.655 2.635 2.959 0.005 20 0 "[ . 1 . 2]" 1
335 1 20 DT H6 1 20 DT M7 2.730 2.180 3.280 2.359 2.325 2.410 . 0 0 "[ . 1 . 2]" 1
336 1 20 DT M7 1 21 DA H2 6.000 4.800 7.200 6.406 6.021 6.534 . 0 0 "[ . 1 . 2]" 1
337 1 20 DT M7 1 21 DA H8 5.600 4.480 6.720 5.964 5.530 6.075 . 0 0 "[ . 1 . 2]" 1
338 1 21 DA H1' 1 21 DA H2' 3.360 2.690 4.030 3.052 3.043 3.059 . 0 0 "[ . 1 . 2]" 1
339 1 21 DA H1' 1 21 DA H2'' 2.310 . 2.770 2.399 2.389 2.405 . 0 0 "[ . 1 . 2]" 1
340 1 21 DA H1' 1 21 DA H3' 3.720 2.980 4.460 3.874 3.857 3.902 . 0 0 "[ . 1 . 2]" 1
341 1 21 DA H1' 1 21 DA H4' 3.450 2.760 4.140 3.423 3.364 3.519 . 0 0 "[ . 1 . 2]" 1
342 1 21 DA H1' 1 21 DA H8 3.880 3.100 4.660 3.806 3.761 3.821 . 0 0 "[ . 1 . 2]" 1
343 1 21 DA H1' 1 22 DA H8 4.500 3.600 5.400 3.922 3.588 4.143 0.012 16 0 "[ . 1 . 2]" 1
344 1 21 DA H2 1 22 DA H2 6.000 4.800 7.200 6.449 5.583 7.203 0.003 20 0 "[ . 1 . 2]" 1
345 1 21 DA H2 1 22 DA H2' 5.000 4.000 6.000 5.326 4.519 6.004 0.004 2 0 "[ . 1 . 2]" 1
346 1 21 DA H2 1 22 DA H3' 5.500 4.400 6.600 5.318 4.396 6.607 0.007 16 0 "[ . 1 . 2]" 1
347 1 21 DA H2 1 22 DA H8 5.500 4.400 6.600 6.151 5.421 6.612 0.012 12 0 "[ . 1 . 2]" 1
348 1 21 DA H2' 1 21 DA H8 4.000 3.200 4.800 3.237 3.177 3.404 0.023 19 0 "[ . 1 . 2]" 1
349 1 21 DA H2' 1 22 DA H8 6.500 5.200 7.800 6.818 6.081 7.068 . 0 0 "[ . 1 . 2]" 1
350 1 21 DA H2'' 1 21 DA H8 4.170 3.340 5.000 4.476 4.430 4.573 . 0 0 "[ . 1 . 2]" 1
351 1 21 DA H3' 1 21 DA H8 4.300 3.440 5.160 4.777 4.737 4.907 . 0 0 "[ . 1 . 2]" 1
352 1 21 DA H4' 1 21 DA H8 4.200 3.360 5.040 4.477 4.378 4.544 . 0 0 "[ . 1 . 2]" 1
353 1 21 DA H4' 1 22 DA H8 5.000 4.000 6.000 5.381 4.908 6.007 0.007 17 0 "[ . 1 . 2]" 1
354 1 21 DA H5' 1 21 DA H8 4.460 3.570 5.350 4.369 4.264 4.496 . 0 0 "[ . 1 . 2]" 1
355 1 21 DA H5'' 1 21 DA H8 2.700 2.160 3.240 2.785 2.567 3.017 . 0 0 "[ . 1 . 2]" 1
356 1 22 DA H1' 1 22 DA H2' 3.430 2.740 4.120 2.839 2.814 3.053 . 0 0 "[ . 1 . 2]" 1
357 1 22 DA H1' 1 22 DA H2'' 2.310 . 2.770 2.346 2.334 2.403 . 0 0 "[ . 1 . 2]" 1
358 1 22 DA H1' 1 22 DA H8 4.140 3.310 4.970 3.566 3.526 3.616 . 0 0 "[ . 1 . 2]" 1
359 1 22 DA H2' 1 22 DA H8 3.600 2.880 4.320 4.240 3.802 4.333 0.013 15 0 "[ . 1 . 2]" 1
360 1 22 DA H2'' 1 22 DA H8 4.750 3.800 5.700 4.930 4.780 4.968 . 0 0 "[ . 1 . 2]" 1
361 1 22 DA H3' 1 22 DA H8 4.300 3.440 5.160 3.871 3.660 5.179 0.019 16 0 "[ . 1 . 2]" 1
362 1 22 DA H4' 1 22 DA H8 4.400 3.520 5.280 4.511 4.461 4.574 . 0 0 "[ . 1 . 2]" 1
363 1 22 DA H5' 1 22 DA H8 4.000 3.200 4.800 3.287 3.157 4.823 0.043 8 0 "[ . 1 . 2]" 1
364 1 22 DA H5'' 1 22 DA H8 4.800 3.840 5.760 3.935 3.821 4.849 0.019 16 0 "[ . 1 . 2]" 1
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