NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
633685 |
6a7y   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6a7y
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 437
_Distance_constraint_stats_list.Viol_count 641
_Distance_constraint_stats_list.Viol_total 630.167
_Distance_constraint_stats_list.Viol_max 0.775
_Distance_constraint_stats_list.Viol_rms 0.0522
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0144
_Distance_constraint_stats_list.Viol_average_violations_only 0.0983
_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 2.029 0.775 6 2 "[ .+ -1]"
1 2 DG 6.551 0.498 1 0 "[ . 1]"
1 3 DT 8.473 0.498 1 0 "[ . 1]"
1 4 DT 3.259 0.275 6 0 "[ . 1]"
1 5 DT 6.557 0.681 3 4 "[ + .- **1]"
1 6 DT 5.633 0.681 3 4 "[ + .- **1]"
1 7 DG 1.471 0.182 10 0 "[ . 1]"
1 8 DG 1.777 0.230 9 0 "[ . 1]"
1 9 DG 1.307 0.230 9 0 "[ . 1]"
1 10 DG 1.259 0.173 9 0 "[ . 1]"
1 11 DT 4.244 0.383 3 0 "[ . 1]"
1 12 DT 2.850 0.156 7 0 "[ . 1]"
1 13 DT 4.040 0.269 8 0 "[ . 1]"
1 14 DT 3.099 0.255 2 0 "[ . 1]"
1 15 DG 2.110 0.184 3 0 "[ . 1]"
1 16 DG 2.240 0.200 1 0 "[ . 1]"
1 17 DG 1.452 0.110 6 0 "[ . 1]"
1 18 DG 1.554 0.255 2 0 "[ . 1]"
2 1 DT 4.788 0.319 5 0 "[ . 1]"
2 2 DG 5.556 0.467 5 0 "[ . 1]"
2 3 DG 0.574 0.078 9 0 "[ . 1]"
2 4 DG 3.586 0.314 6 0 "[ . 1]"
2 5 DG 3.556 0.500 8 1 "[ . + 1]"
2 6 DA 3.076 0.198 8 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 DG H1 1 2 DG H1 5.000 3.500 6.500 5.445 5.314 5.840 . 0 0 "[ . 1]" 1
2 1 1 DG H1 1 15 DG H2' 5.000 3.500 6.500 5.012 4.717 5.375 . 0 0 "[ . 1]" 1
3 1 1 DG H1 1 15 DG H8 5.000 3.500 6.500 4.856 4.696 5.073 . 0 0 "[ . 1]" 1
4 1 1 DG H1 1 17 DG H8 5.000 3.500 6.500 5.727 5.572 5.947 . 0 0 "[ . 1]" 1
5 1 1 DG H1' 1 1 DG H2' 2.670 2.140 3.200 3.047 3.025 3.058 . 0 0 "[ . 1]" 1
6 1 1 DG H1' 1 1 DG H2'' 2.460 . 3.200 2.371 2.344 2.390 . 0 0 "[ . 1]" 1
7 1 1 DG H1' 1 1 DG H3' 3.350 2.340 4.360 3.826 3.783 3.863 . 0 0 "[ . 1]" 1
8 1 1 DG H1' 1 1 DG H5' 5.000 3.500 6.500 4.659 4.438 4.939 . 0 0 "[ . 1]" 1
9 1 1 DG H1' 1 1 DG H5'' 5.000 3.500 6.500 4.844 4.522 5.023 . 0 0 "[ . 1]" 1
10 1 1 DG H1' 1 1 DG H8 2.460 . 2.950 2.636 2.609 2.650 . 0 0 "[ . 1]" 1
11 1 1 DG H1' 1 2 DG H8 3.460 2.420 4.500 4.478 4.303 4.651 0.151 1 0 "[ . 1]" 1
12 1 1 DG H2' 1 1 DG H3' 2.560 2.050 3.070 2.332 2.262 2.368 . 0 0 "[ . 1]" 1
13 1 1 DG H2' 1 1 DG H5' 5.000 3.500 6.500 3.848 2.725 4.291 0.775 6 2 "[ .+ -1]" 1
14 1 1 DG H2' 1 1 DG H8 3.300 2.310 4.290 4.247 4.161 4.305 0.015 4 0 "[ . 1]" 1
15 1 1 DG H2' 1 2 DG H8 3.130 2.190 4.070 3.012 2.761 3.275 . 0 0 "[ . 1]" 1
16 1 1 DG H2' 1 15 DG H8 5.000 3.500 6.500 5.035 4.834 5.159 . 0 0 "[ . 1]" 1
17 1 1 DG H2'' 1 1 DG H3' 2.950 2.060 3.840 2.739 2.709 2.859 . 0 0 "[ . 1]" 1
18 1 1 DG H2'' 1 1 DG H8 3.660 2.930 4.390 3.714 3.663 3.831 . 0 0 "[ . 1]" 1
19 1 1 DG H2'' 1 2 DG H8 2.480 . 3.230 2.232 2.127 2.393 . 0 0 "[ . 1]" 1
20 1 1 DG H2'' 1 15 DG H8 5.000 3.500 6.500 5.900 5.753 6.042 . 0 0 "[ . 1]" 1
21 1 1 DG H21 1 15 DG H8 5.000 3.500 6.500 4.904 4.638 5.344 . 0 0 "[ . 1]" 1
22 1 1 DG H21 1 17 DG H8 3.800 2.600 5.000 3.682 3.511 3.811 . 0 0 "[ . 1]" 1
23 1 1 DG H22 1 15 DG H8 5.000 3.500 6.500 4.228 3.952 4.728 . 0 0 "[ . 1]" 1
24 1 1 DG H3' 1 1 DG H4' 2.700 . 3.600 2.807 2.767 2.946 . 0 0 "[ . 1]" 1
25 1 1 DG H3' 1 1 DG H5' 3.800 2.600 5.000 3.197 2.491 3.627 0.109 10 0 "[ . 1]" 1
26 1 1 DG H3' 1 1 DG H8 5.070 4.060 6.080 5.947 5.917 5.988 . 0 0 "[ . 1]" 1
27 1 1 DG H3' 1 2 DG H8 3.780 2.650 4.910 4.035 3.811 4.228 . 0 0 "[ . 1]" 1
28 1 1 DG H3' 1 15 DG H8 5.100 3.570 6.630 5.974 5.740 6.259 . 0 0 "[ . 1]" 1
29 1 1 DG H4' 1 1 DG H5' 2.540 2.030 3.050 2.632 2.444 3.047 . 0 0 "[ . 1]" 1
30 1 1 DG H4' 1 1 DG H8 5.000 4.000 6.000 5.683 5.312 5.778 . 0 0 "[ . 1]" 1
31 1 1 DG H4' 1 15 DG H8 5.000 3.500 6.500 4.605 4.345 4.904 . 0 0 "[ . 1]" 1
32 1 1 DG H8 1 2 DG H1' 3.540 2.480 4.600 4.201 3.775 4.601 0.001 1 0 "[ . 1]" 1
33 1 1 DG H8 1 2 DG H8 4.460 3.120 5.800 4.955 4.730 5.553 . 0 0 "[ . 1]" 1
34 1 1 DG H8 1 9 DG H1 5.000 3.500 6.500 5.381 5.202 5.561 . 0 0 "[ . 1]" 1
35 1 1 DG H8 1 9 DG H21 3.800 2.600 5.000 3.439 3.236 3.601 . 0 0 "[ . 1]" 1
36 1 1 DG H8 1 9 DG H22 3.800 2.600 5.000 4.117 3.944 4.203 . 0 0 "[ . 1]" 1
37 1 2 DG H1 1 8 DG H8 5.000 3.500 6.500 5.524 5.302 5.684 . 0 0 "[ . 1]" 1
38 1 2 DG H1 1 9 DG H1 3.800 2.600 5.000 3.423 3.090 3.748 . 0 0 "[ . 1]" 1
39 1 2 DG H1 1 16 DG H1 3.800 2.600 5.000 4.179 4.078 4.247 . 0 0 "[ . 1]" 1
40 1 2 DG H1' 1 2 DG H2' 2.330 . 2.800 3.063 3.030 3.086 0.286 9 0 "[ . 1]" 1
41 1 2 DG H1' 1 2 DG H2'' 2.440 . 3.170 2.357 2.297 2.390 . 0 0 "[ . 1]" 1
42 1 2 DG H1' 1 2 DG H3' 3.800 2.600 5.000 3.872 3.814 3.977 . 0 0 "[ . 1]" 1
43 1 2 DG H1' 1 2 DG H4' 2.700 . 3.600 3.406 3.217 3.628 0.028 5 0 "[ . 1]" 1
44 1 2 DG H1' 1 2 DG H8 3.490 2.790 4.190 3.911 3.879 3.925 . 0 0 "[ . 1]" 1
45 1 2 DG H1' 1 3 DT H6 3.240 2.270 4.210 4.021 3.524 4.323 0.113 10 0 "[ . 1]" 1
46 1 2 DG H2' 1 2 DG H3' 2.300 . 2.990 2.312 2.260 2.369 . 0 0 "[ . 1]" 1
47 1 2 DG H2' 1 2 DG H8 2.890 2.020 3.760 2.265 2.149 2.448 . 0 0 "[ . 1]" 1
48 1 2 DG H2' 1 3 DT H6 3.350 2.340 4.360 3.497 3.035 3.851 . 0 0 "[ . 1]" 1
49 1 2 DG H2' 1 3 DT M7 3.700 2.960 4.440 3.111 2.462 3.846 0.498 1 0 "[ . 1]" 1
50 1 2 DG H2'' 1 2 DG H3' 2.330 . 2.800 2.722 2.690 2.751 . 0 0 "[ . 1]" 1
51 1 2 DG H2'' 1 2 DG H8 3.500 2.450 4.550 3.658 3.496 3.923 . 0 0 "[ . 1]" 1
52 1 2 DG H2'' 1 3 DT H6 3.030 2.420 3.640 2.557 2.314 3.082 0.106 9 0 "[ . 1]" 1
53 1 2 DG H2'' 1 3 DT M7 3.770 2.640 4.900 3.165 2.710 4.059 . 0 0 "[ . 1]" 1
54 1 2 DG H21 1 8 DG H8 5.000 3.500 6.500 3.560 3.473 3.652 0.027 9 0 "[ . 1]" 1
55 1 2 DG H22 1 8 DG H8 5.000 3.500 6.500 4.134 4.068 4.249 . 0 0 "[ . 1]" 1
56 1 2 DG H3' 1 2 DG H4' 2.700 . 3.510 2.737 2.675 2.775 . 0 0 "[ . 1]" 1
57 1 2 DG H3' 1 2 DG H8 3.430 2.400 4.460 4.231 3.847 4.370 . 0 0 "[ . 1]" 1
58 1 2 DG H3' 1 3 DT H6 4.770 3.820 5.720 5.028 4.546 5.527 . 0 0 "[ . 1]" 1
59 1 2 DG H4' 1 2 DG H8 3.970 2.780 5.160 4.902 4.501 5.099 . 0 0 "[ . 1]" 1
60 1 2 DG H5' 1 2 DG H8 3.660 2.560 4.760 4.334 3.470 4.619 . 0 0 "[ . 1]" 1
61 1 2 DG H8 1 3 DT H5' 5.000 3.500 6.500 6.349 5.435 6.958 0.458 5 0 "[ . 1]" 1
62 1 2 DG H8 1 3 DT H6 4.750 3.320 6.180 4.591 4.223 4.899 . 0 0 "[ . 1]" 1
63 1 2 DG H8 1 3 DT M7 2.920 2.040 3.800 3.042 2.492 3.869 0.069 9 0 "[ . 1]" 1
64 1 2 DG H8 1 16 DG H1 5.000 3.500 6.500 5.391 5.317 5.443 . 0 0 "[ . 1]" 1
65 1 2 DG H8 1 16 DG H21 5.000 3.500 6.500 3.432 3.393 3.468 0.107 4 0 "[ . 1]" 1
66 1 2 DG H8 1 16 DG H22 5.000 3.500 6.500 4.065 3.961 4.118 . 0 0 "[ . 1]" 1
67 1 3 DT H1' 1 3 DT H2' 2.330 . 2.800 2.932 2.870 3.049 0.249 2 0 "[ . 1]" 1
68 1 3 DT H1' 1 3 DT H3' 3.000 2.100 3.900 3.856 3.756 3.889 . 0 0 "[ . 1]" 1
69 1 3 DT H1' 1 3 DT H6 2.700 . 3.600 3.743 3.704 3.772 0.172 4 0 "[ . 1]" 1
70 1 3 DT H2' 1 3 DT H3' 2.290 . 2.980 2.345 2.279 2.418 . 0 0 "[ . 1]" 1
71 1 3 DT H2' 1 3 DT H6 2.210 . 2.650 2.620 1.948 2.805 0.155 5 0 "[ . 1]" 1
72 1 3 DT H3' 1 3 DT H6 3.800 2.600 5.000 3.275 2.558 4.474 0.042 7 0 "[ . 1]" 1
73 1 3 DT H3' 1 3 DT M7 5.000 3.500 6.500 4.840 4.164 5.896 . 0 0 "[ . 1]" 1
74 1 3 DT H6 1 3 DT M7 3.050 2.440 3.660 2.245 2.223 2.271 0.217 10 0 "[ . 1]" 1
75 1 3 DT M7 1 16 DG H1 3.800 2.600 5.000 4.695 4.200 5.036 0.036 8 0 "[ . 1]" 1
76 1 3 DT M7 1 16 DG H21 3.800 2.600 5.000 3.834 3.541 4.571 . 0 0 "[ . 1]" 1
77 1 3 DT M7 2 2 DG H1 2.700 . 3.600 3.485 2.897 3.648 0.048 6 0 "[ . 1]" 1
78 1 4 DT H1' 1 4 DT H2' 3.670 2.570 4.770 2.985 2.795 3.066 . 0 0 "[ . 1]" 1
79 1 4 DT H1' 1 4 DT H2'' 2.720 2.180 3.260 2.355 2.294 2.386 . 0 0 "[ . 1]" 1
80 1 4 DT H1' 1 4 DT H4' 3.530 2.820 4.240 3.263 2.907 3.364 . 0 0 "[ . 1]" 1
81 1 4 DT H1' 1 4 DT H5' 5.000 3.500 6.500 4.701 4.384 4.860 . 0 0 "[ . 1]" 1
82 1 4 DT H1' 1 4 DT H6 3.390 2.710 4.070 3.771 3.748 3.783 . 0 0 "[ . 1]" 1
83 1 4 DT H1' 1 5 DT M7 3.950 2.760 5.140 3.963 2.630 5.217 0.130 2 0 "[ . 1]" 1
84 1 4 DT H2' 1 4 DT H3' 3.330 2.330 4.330 2.363 2.324 2.378 0.006 6 0 "[ . 1]" 1
85 1 4 DT H2' 1 4 DT H4' 3.800 2.600 5.000 3.808 3.741 3.846 . 0 0 "[ . 1]" 1
86 1 4 DT H2' 1 4 DT H6 2.590 2.070 3.110 2.639 2.079 3.140 0.030 8 0 "[ . 1]" 1
87 1 4 DT H2' 1 5 DT H6 3.800 2.600 5.000 3.830 2.567 5.015 0.033 7 0 "[ . 1]" 1
88 1 4 DT H2'' 1 4 DT H3' 2.700 2.160 3.240 2.810 2.702 3.042 . 0 0 "[ . 1]" 1
89 1 4 DT H2'' 1 4 DT H6 3.190 2.230 4.150 3.985 3.555 4.214 0.064 7 0 "[ . 1]" 1
90 1 4 DT H4' 1 4 DT H6 5.000 4.000 6.000 4.363 4.143 4.622 . 0 0 "[ . 1]" 1
91 1 4 DT H5' 1 4 DT H6 3.350 2.680 4.020 3.484 2.656 4.034 0.024 3 0 "[ . 1]" 1
92 1 4 DT H5'' 1 4 DT H6 3.970 3.180 4.760 4.153 3.288 4.350 . 0 0 "[ . 1]" 1
93 1 4 DT H6 1 4 DT M7 3.110 2.490 3.730 2.227 2.215 2.236 0.275 6 0 "[ . 1]" 1
94 1 5 DT H1' 1 5 DT H2' 2.490 . 2.990 3.042 3.027 3.057 0.067 8 0 "[ . 1]" 1
95 1 5 DT H1' 1 5 DT H2'' 2.420 . 2.900 2.369 2.363 2.377 . 0 0 "[ . 1]" 1
96 1 5 DT H1' 1 5 DT H3' 5.000 3.500 6.500 3.849 3.821 3.883 . 0 0 "[ . 1]" 1
97 1 5 DT H1' 1 5 DT H4' 3.560 2.850 4.270 3.362 3.312 3.453 . 0 0 "[ . 1]" 1
98 1 5 DT H1' 1 5 DT H6 3.410 2.730 4.090 3.769 3.737 3.787 . 0 0 "[ . 1]" 1
99 1 5 DT H2' 1 5 DT H3' 2.670 2.140 3.200 2.350 2.288 2.378 . 0 0 "[ . 1]" 1
100 1 5 DT H2' 1 5 DT H4' 3.510 2.810 4.210 3.826 3.788 3.864 . 0 0 "[ . 1]" 1
101 1 5 DT H2' 1 5 DT H6 2.750 . 3.580 2.449 2.147 2.747 . 0 0 "[ . 1]" 1
102 1 5 DT H2' 1 6 DT H6 5.030 3.520 6.540 5.768 5.302 6.294 . 0 0 "[ . 1]" 1
103 1 5 DT H2'' 1 5 DT H3' 2.970 2.380 3.560 2.717 2.697 2.736 . 0 0 "[ . 1]" 1
104 1 5 DT H2'' 1 5 DT H6 3.400 2.720 4.080 3.894 3.619 4.141 0.061 1 0 "[ . 1]" 1
105 1 5 DT H3' 1 5 DT H4' 3.000 2.400 3.600 2.744 2.706 2.783 . 0 0 "[ . 1]" 1
106 1 5 DT H3' 1 5 DT H5' 2.890 2.020 3.760 3.304 2.342 3.660 . 0 0 "[ . 1]" 1
107 1 5 DT H3' 1 5 DT H5'' 2.730 . 3.550 2.649 2.381 3.616 0.066 4 0 "[ . 1]" 1
108 1 5 DT H3' 1 5 DT H6 4.010 2.810 5.210 4.182 3.977 4.333 . 0 0 "[ . 1]" 1
109 1 5 DT H4' 1 5 DT H5' 2.520 2.020 3.020 2.508 2.320 3.029 0.009 4 0 "[ . 1]" 1
110 1 5 DT H4' 1 5 DT H6 3.800 3.040 4.560 4.411 4.282 4.579 0.019 7 0 "[ . 1]" 1
111 1 5 DT H4' 1 6 DT H6 3.180 2.230 4.130 3.056 2.197 4.376 0.246 1 0 "[ . 1]" 1
112 1 5 DT H4' 1 6 DT M7 4.910 3.930 5.890 3.709 3.249 5.353 0.681 3 4 "[ + .- **1]" 1
113 1 5 DT H5' 1 5 DT H6 3.260 2.280 4.240 3.562 2.244 4.228 0.036 4 0 "[ . 1]" 1
114 1 5 DT H5'' 1 5 DT H6 3.370 2.360 4.380 3.843 2.485 4.328 . 0 0 "[ . 1]" 1
115 1 5 DT H6 1 5 DT M7 2.950 2.360 3.540 2.229 2.221 2.236 0.139 1 0 "[ . 1]" 1
116 1 6 DT H1' 1 6 DT H2' 2.540 2.030 3.050 3.025 2.812 3.069 0.019 8 0 "[ . 1]" 1
117 1 6 DT H1' 1 6 DT H2'' 2.600 2.080 3.120 2.360 2.307 2.390 . 0 0 "[ . 1]" 1
118 1 6 DT H1' 1 6 DT H6 4.320 3.020 5.620 3.765 3.709 3.795 . 0 0 "[ . 1]" 1
119 1 6 DT H2' 1 6 DT H3' 2.820 2.260 3.380 2.340 2.288 2.376 . 0 0 "[ . 1]" 1
120 1 6 DT H2' 1 6 DT H6 3.150 2.200 4.100 2.625 2.359 3.410 . 0 0 "[ . 1]" 1
121 1 6 DT H2'' 1 6 DT H3' 2.610 2.090 3.130 2.752 2.707 3.024 . 0 0 "[ . 1]" 1
122 1 6 DT H2'' 1 6 DT H6 3.530 2.470 4.590 4.000 3.800 4.351 . 0 0 "[ . 1]" 1
123 1 6 DT H3' 1 6 DT H6 3.860 2.700 5.020 4.021 2.583 4.334 0.117 7 0 "[ . 1]" 1
124 1 6 DT H4' 1 6 DT H6 3.880 3.100 4.660 4.336 4.036 4.527 . 0 0 "[ . 1]" 1
125 1 6 DT H6 1 6 DT M7 2.960 2.370 3.550 2.233 2.219 2.252 0.151 7 0 "[ . 1]" 1
126 1 7 DG H1' 1 7 DG H2' 3.060 2.140 3.980 2.865 2.688 3.064 . 0 0 "[ . 1]" 1
127 1 7 DG H1' 1 7 DG H2'' 2.700 . 3.600 2.345 2.309 2.401 . 0 0 "[ . 1]" 1
128 1 7 DG H1' 1 7 DG H3' 3.970 2.780 5.160 3.844 3.766 3.894 . 0 0 "[ . 1]" 1
129 1 7 DG H1' 1 7 DG H4' 3.280 2.300 4.260 3.316 2.953 3.647 . 0 0 "[ . 1]" 1
130 1 7 DG H1' 1 7 DG H8 4.530 3.170 5.890 3.859 3.676 3.929 . 0 0 "[ . 1]" 1
131 1 7 DG H2' 1 7 DG H3' 3.230 2.260 4.200 2.381 2.294 2.450 . 0 0 "[ . 1]" 1
132 1 7 DG H2' 1 7 DG H4' 3.500 2.450 4.550 3.819 3.748 3.901 . 0 0 "[ . 1]" 1
133 1 7 DG H2' 1 7 DG H8 3.010 2.110 3.910 2.321 2.035 2.491 0.075 6 0 "[ . 1]" 1
134 1 7 DG H2'' 1 7 DG H3' 2.700 . 3.600 2.948 2.711 3.056 . 0 0 "[ . 1]" 1
135 1 7 DG H2'' 1 7 DG H4' 4.030 2.820 5.240 3.174 2.712 4.086 0.108 2 0 "[ . 1]" 1
136 1 7 DG H2'' 1 7 DG H8 2.900 2.030 3.770 3.817 3.365 3.952 0.182 10 0 "[ . 1]" 1
137 1 7 DG H3' 1 7 DG H4' 2.960 2.070 3.850 2.933 2.713 3.028 . 0 0 "[ . 1]" 1
138 1 7 DG H3' 1 7 DG H8 3.230 2.260 4.200 2.879 2.242 4.240 0.040 3 0 "[ . 1]" 1
139 1 7 DG H4' 1 7 DG H8 3.770 2.460 5.080 4.788 4.670 5.095 0.015 6 0 "[ . 1]" 1
140 1 8 DG H1 1 9 DG H1 5.000 3.500 6.500 4.794 4.432 5.049 . 0 0 "[ . 1]" 1
141 1 8 DG H1 2 3 DG H1 5.000 3.500 6.500 4.196 4.116 4.263 . 0 0 "[ . 1]" 1
142 1 8 DG H1 2 3 DG H8 5.000 3.500 6.500 5.465 5.314 5.684 . 0 0 "[ . 1]" 1
143 1 8 DG H1 2 4 DG H1 3.800 2.600 5.000 3.578 3.476 3.753 . 0 0 "[ . 1]" 1
144 1 8 DG H1' 1 8 DG H8 2.400 . 2.880 2.593 2.567 2.610 . 0 0 "[ . 1]" 1
145 1 8 DG H1' 1 9 DG H8 3.800 2.600 5.000 4.384 4.165 4.633 . 0 0 "[ . 1]" 1
146 1 8 DG H2' 1 8 DG H8 3.340 2.340 4.340 4.398 4.360 4.434 0.094 3 0 "[ . 1]" 1
147 1 8 DG H2' 1 9 DG H8 2.940 2.060 3.820 2.645 2.460 2.829 . 0 0 "[ . 1]" 1
148 1 8 DG H2'' 1 8 DG H8 3.130 2.190 4.070 3.901 3.743 4.002 . 0 0 "[ . 1]" 1
149 1 8 DG H2'' 1 9 DG H8 2.760 . 3.590 2.256 2.084 2.443 . 0 0 "[ . 1]" 1
150 1 8 DG H21 2 3 DG H8 3.800 2.600 5.000 3.487 3.341 3.673 . 0 0 "[ . 1]" 1
151 1 8 DG H3' 1 8 DG H8 5.000 3.500 6.500 6.018 5.938 6.071 . 0 0 "[ . 1]" 1
152 1 8 DG H3' 1 9 DG H8 3.370 2.360 4.380 4.122 3.887 4.329 . 0 0 "[ . 1]" 1
153 1 8 DG H4' 1 8 DG H8 4.340 3.040 5.640 5.596 5.133 5.760 0.120 1 0 "[ . 1]" 1
154 1 8 DG H8 1 9 DG H1' 4.300 3.010 5.590 3.899 2.930 4.325 0.080 1 0 "[ . 1]" 1
155 1 8 DG H8 1 9 DG H4' 3.160 2.210 4.110 4.132 3.901 4.340 0.230 9 0 "[ . 1]" 1
156 1 8 DG H8 1 9 DG H8 5.000 3.500 6.500 4.904 4.500 5.360 . 0 0 "[ . 1]" 1
157 1 9 DG H1' 1 9 DG H2' 2.920 2.100 3.740 3.034 2.800 3.075 . 0 0 "[ . 1]" 1
158 1 9 DG H1' 1 9 DG H2'' 1.970 . 2.360 2.373 2.290 2.409 0.049 10 0 "[ . 1]" 1
159 1 9 DG H1' 1 9 DG H3' 3.800 2.600 5.000 3.818 3.763 3.911 . 0 0 "[ . 1]" 1
160 1 9 DG H1' 1 9 DG H4' 2.700 . 3.600 3.100 2.790 3.429 . 0 0 "[ . 1]" 1
161 1 9 DG H1' 1 9 DG H8 3.020 2.110 3.930 3.887 3.843 3.926 . 0 0 "[ . 1]" 1
162 1 9 DG H1' 1 10 DG H8 3.470 2.430 4.510 3.835 3.190 4.681 0.171 1 0 "[ . 1]" 1
163 1 9 DG H2' 1 9 DG H3' 2.650 2.120 3.180 2.329 2.263 2.372 . 0 0 "[ . 1]" 1
164 1 9 DG H2' 1 9 DG H8 2.740 . 3.620 2.397 2.060 3.623 0.003 1 0 "[ . 1]" 1
165 1 9 DG H2' 1 10 DG H8 2.870 2.010 3.730 3.256 2.024 3.780 0.050 7 0 "[ . 1]" 1
166 1 9 DG H2'' 1 9 DG H3' 2.390 . 2.980 2.775 2.709 3.028 0.048 1 0 "[ . 1]" 1
167 1 9 DG H2'' 1 10 DG H8 2.720 . 3.540 2.486 2.233 3.521 . 0 0 "[ . 1]" 1
168 1 9 DG H3' 1 9 DG H8 3.800 2.600 5.000 4.165 2.980 4.530 . 0 0 "[ . 1]" 1
169 1 9 DG H4' 1 9 DG H8 5.000 3.500 6.500 5.041 4.497 5.333 . 0 0 "[ . 1]" 1
170 1 9 DG H8 1 10 DG H8 4.360 3.490 5.230 4.261 3.647 5.015 . 0 0 "[ . 1]" 1
171 1 9 DG H8 2 4 DG H1 5.000 3.500 6.500 5.726 5.483 5.919 . 0 0 "[ . 1]" 1
172 1 9 DG H8 2 4 DG H21 3.800 2.600 5.000 3.708 3.503 3.865 . 0 0 "[ . 1]" 1
173 1 9 DG H8 2 4 DG H22 5.000 3.500 6.500 4.172 4.071 4.240 . 0 0 "[ . 1]" 1
174 1 9 DG H8 2 5 DG H1 5.000 3.500 6.500 5.845 4.943 6.525 0.025 1 0 "[ . 1]" 1
175 1 10 DG H1 1 15 DG H8 5.000 3.500 6.500 5.448 4.840 5.777 . 0 0 "[ . 1]" 1
176 1 10 DG H1' 1 10 DG H2' 3.080 2.160 4.000 3.004 2.836 3.056 . 0 0 "[ . 1]" 1
177 1 10 DG H1' 1 10 DG H2'' 2.440 . 3.170 2.352 2.297 2.394 . 0 0 "[ . 1]" 1
178 1 10 DG H1' 1 10 DG H3' 3.800 2.600 5.000 3.858 3.799 3.924 . 0 0 "[ . 1]" 1
179 1 10 DG H1' 1 10 DG H8 3.590 2.870 4.310 3.872 3.736 3.927 . 0 0 "[ . 1]" 1
180 1 10 DG H1' 1 11 DT H6 5.000 3.500 6.500 4.997 4.279 5.506 . 0 0 "[ . 1]" 1
181 1 10 DG H2' 1 10 DG H8 3.800 2.600 5.000 3.080 2.564 3.986 0.036 9 0 "[ . 1]" 1
182 1 10 DG H2' 1 11 DT H6 3.200 2.560 3.840 3.168 2.448 4.013 0.173 9 0 "[ . 1]" 1
183 1 10 DG H2'' 1 10 DG H8 3.800 2.600 5.000 4.362 4.003 4.845 . 0 0 "[ . 1]" 1
184 1 10 DG H2'' 1 11 DT H6 3.060 2.140 3.980 3.207 2.556 3.907 . 0 0 "[ . 1]" 1
185 1 10 DG H2'' 1 11 DT M7 3.940 2.760 5.120 3.746 3.005 4.366 . 0 0 "[ . 1]" 1
186 1 10 DG H21 1 15 DG H8 5.000 3.500 6.500 3.543 3.437 3.784 0.063 9 0 "[ . 1]" 1
187 1 10 DG H3' 1 10 DG H8 5.000 3.500 6.500 4.282 3.381 4.986 0.119 2 0 "[ . 1]" 1
188 1 10 DG H4' 1 10 DG H8 4.520 3.620 5.420 4.625 4.297 4.784 . 0 0 "[ . 1]" 1
189 1 10 DG H8 1 11 DT M7 3.440 2.410 4.470 3.487 2.574 4.542 0.072 3 0 "[ . 1]" 1
190 1 10 DG H8 2 5 DG H1 5.000 3.500 6.500 5.515 5.239 5.765 . 0 0 "[ . 1]" 1
191 1 11 DT H1' 1 11 DT H2' 2.390 . 3.110 3.043 2.890 3.082 . 0 0 "[ . 1]" 1
192 1 11 DT H1' 1 11 DT H2'' 2.500 . 3.000 2.374 2.280 2.420 . 0 0 "[ . 1]" 1
193 1 11 DT H1' 1 11 DT H4' 4.000 2.800 5.200 3.242 3.002 3.435 . 0 0 "[ . 1]" 1
194 1 11 DT H1' 1 11 DT H6 3.300 2.640 3.960 3.773 3.733 3.789 . 0 0 "[ . 1]" 1
195 1 11 DT H1' 1 12 DT H6 5.640 3.950 7.330 6.277 3.889 7.378 0.061 8 0 "[ . 1]" 1
196 1 11 DT H2' 1 11 DT H5' 2.910 2.040 3.780 3.770 2.673 4.163 0.383 3 0 "[ . 1]" 1
197 1 11 DT H2' 1 11 DT H6 3.040 2.130 3.950 2.327 2.095 2.663 0.035 4 0 "[ . 1]" 1
198 1 11 DT H2' 1 12 DT H6 5.000 4.000 6.000 5.495 4.601 6.113 0.113 9 0 "[ . 1]" 1
199 1 11 DT H2'' 1 11 DT H5' 3.930 2.750 5.110 4.836 4.139 5.157 0.047 7 0 "[ . 1]" 1
200 1 11 DT H2'' 1 11 DT H6 2.960 2.070 3.850 3.779 3.571 4.018 0.168 8 0 "[ . 1]" 1
201 1 11 DT H4' 1 11 DT H6 3.610 2.530 4.690 4.531 4.387 4.692 0.002 9 0 "[ . 1]" 1
202 1 11 DT H5' 1 11 DT H6 3.770 2.460 5.080 3.802 2.455 4.638 0.005 4 0 "[ . 1]" 1
203 1 11 DT H6 1 11 DT M7 2.990 2.390 3.590 2.239 2.209 2.261 0.181 4 0 "[ . 1]" 1
204 1 11 DT M7 2 6 DA H2 3.660 2.560 4.760 4.336 3.347 4.832 0.072 8 0 "[ . 1]" 1
205 1 12 DT H1' 1 12 DT H2' 3.240 2.270 4.210 3.025 2.991 3.048 . 0 0 "[ . 1]" 1
206 1 12 DT H1' 1 12 DT H2'' 2.700 . 3.600 2.351 2.330 2.371 . 0 0 "[ . 1]" 1
207 1 12 DT H1' 1 12 DT H3' 3.800 2.600 5.000 3.908 3.850 3.988 . 0 0 "[ . 1]" 1
208 1 12 DT H1' 1 12 DT H4' 3.910 3.130 4.690 3.530 3.408 3.665 . 0 0 "[ . 1]" 1
209 1 12 DT H1' 1 12 DT H5' 5.000 3.500 6.500 4.896 4.271 5.109 . 0 0 "[ . 1]" 1
210 1 12 DT H1' 1 12 DT H6 3.150 2.520 3.780 3.701 3.595 3.747 . 0 0 "[ . 1]" 1
211 1 12 DT H2' 1 12 DT H3' 2.760 2.210 3.310 2.347 2.283 2.372 . 0 0 "[ . 1]" 1
212 1 12 DT H2' 1 12 DT H4' 3.470 2.780 4.160 3.834 3.811 3.886 . 0 0 "[ . 1]" 1
213 1 12 DT H2' 1 12 DT H6 2.890 2.020 3.760 3.051 2.758 3.549 . 0 0 "[ . 1]" 1
214 1 12 DT H2'' 1 12 DT H3' 2.560 2.050 3.070 2.721 2.709 2.754 . 0 0 "[ . 1]" 1
215 1 12 DT H2'' 1 12 DT H4' 3.250 2.270 4.230 4.071 4.001 4.102 . 0 0 "[ . 1]" 1
216 1 12 DT H2'' 1 12 DT H6 3.800 2.600 5.000 4.341 4.149 4.640 . 0 0 "[ . 1]" 1
217 1 12 DT H3' 1 12 DT H4' 2.970 2.380 3.560 2.710 2.672 2.747 . 0 0 "[ . 1]" 1
218 1 12 DT H3' 1 12 DT H6 3.720 2.980 4.460 4.413 4.148 4.550 0.090 10 0 "[ . 1]" 1
219 1 12 DT H4' 1 12 DT H6 3.170 2.220 4.120 4.074 3.894 4.225 0.105 8 0 "[ . 1]" 1
220 1 12 DT H4' 1 13 DT H6 5.940 4.750 7.130 6.236 4.954 7.172 0.042 9 0 "[ . 1]" 1
221 1 12 DT H5' 1 12 DT H6 3.360 2.690 4.030 3.639 2.599 4.105 0.091 3 0 "[ . 1]" 1
222 1 12 DT H5'' 1 12 DT H6 3.640 2.550 4.730 2.811 2.467 4.040 0.083 10 0 "[ . 1]" 1
223 1 12 DT H6 1 12 DT M7 2.970 2.380 3.560 2.229 2.224 2.233 0.156 7 0 "[ . 1]" 1
224 1 13 DT H1' 1 13 DT H2' 2.580 2.060 3.100 3.055 3.034 3.065 . 0 0 "[ . 1]" 1
225 1 13 DT H1' 1 13 DT H2'' 2.700 . 3.600 2.357 2.315 2.385 . 0 0 "[ . 1]" 1
226 1 13 DT H1' 1 13 DT H3' 4.400 3.520 5.280 3.868 3.809 3.954 . 0 0 "[ . 1]" 1
227 1 13 DT H1' 1 13 DT H4' 4.330 3.030 5.630 3.484 3.378 3.689 . 0 0 "[ . 1]" 1
228 1 13 DT H1' 1 13 DT H6 3.240 2.590 3.890 3.771 3.761 3.777 . 0 0 "[ . 1]" 1
229 1 13 DT H1' 2 6 DA H2 4.200 2.940 5.460 4.948 3.739 5.518 0.058 7 0 "[ . 1]" 1
230 1 13 DT H2' 1 13 DT H3' 2.700 . 3.600 2.349 2.316 2.384 . 0 0 "[ . 1]" 1
231 1 13 DT H2' 1 13 DT H4' 3.630 2.540 4.720 3.809 3.737 3.853 . 0 0 "[ . 1]" 1
232 1 13 DT H2' 1 13 DT H6 2.930 2.340 3.520 2.191 2.071 2.368 0.269 8 0 "[ . 1]" 1
233 1 13 DT H2'' 1 13 DT H3' 2.420 . 2.900 2.703 2.670 2.727 . 0 0 "[ . 1]" 1
234 1 13 DT H2'' 1 13 DT H4' 3.230 2.260 4.200 4.075 4.048 4.101 . 0 0 "[ . 1]" 1
235 1 13 DT H2'' 1 13 DT H6 3.020 2.110 3.930 3.675 3.587 3.813 . 0 0 "[ . 1]" 1
236 1 13 DT H3' 1 13 DT H4' 3.060 2.450 3.670 2.705 2.671 2.741 . 0 0 "[ . 1]" 1
237 1 13 DT H3' 1 13 DT H6 3.610 2.890 4.330 4.014 3.741 4.248 . 0 0 "[ . 1]" 1
238 1 13 DT H4' 1 13 DT H5' 2.330 . 3.030 2.835 2.519 3.037 0.007 1 0 "[ . 1]" 1
239 1 13 DT H4' 1 13 DT H5'' 2.560 2.050 3.070 2.397 2.224 2.900 . 0 0 "[ . 1]" 1
240 1 13 DT H4' 1 13 DT H6 3.900 3.120 4.680 4.405 4.295 4.518 . 0 0 "[ . 1]" 1
241 1 13 DT H5' 1 13 DT H6 3.040 2.130 3.950 2.692 2.090 3.554 0.040 3 0 "[ . 1]" 1
242 1 13 DT H5' 2 6 DA H2 3.730 2.610 4.850 4.157 2.998 4.940 0.090 1 0 "[ . 1]" 1
243 1 13 DT H5'' 1 13 DT H6 3.210 2.250 4.170 3.696 2.142 4.268 0.108 8 0 "[ . 1]" 1
244 1 13 DT H5'' 2 6 DA H2 3.930 3.140 4.720 4.707 4.513 4.918 0.198 8 0 "[ . 1]" 1
245 1 13 DT H6 1 13 DT M7 2.940 2.350 3.530 2.232 2.225 2.246 0.125 5 0 "[ . 1]" 1
246 1 13 DT H6 2 6 DA H2 3.720 2.980 4.460 3.812 2.848 4.467 0.132 8 0 "[ . 1]" 1
247 1 14 DT H1' 1 14 DT H2'' 2.340 . 3.120 2.314 2.291 2.351 . 0 0 "[ . 1]" 1
248 1 14 DT H1' 1 14 DT H4' 3.300 2.640 3.960 3.134 2.676 3.667 . 0 0 "[ . 1]" 1
249 1 14 DT H1' 1 14 DT H6 3.120 2.180 4.060 3.747 3.694 3.779 . 0 0 "[ . 1]" 1
250 1 14 DT H2' 1 14 DT H3' 2.590 2.070 3.110 2.362 2.260 2.442 . 0 0 "[ . 1]" 1
251 1 14 DT H2' 1 14 DT H6 2.510 . 3.260 2.511 2.079 3.343 0.083 8 0 "[ . 1]" 1
252 1 14 DT H2'' 1 14 DT H3' 2.640 2.110 3.170 3.009 2.794 3.048 . 0 0 "[ . 1]" 1
253 1 14 DT H3' 1 14 DT H6 2.590 2.070 3.110 2.386 1.998 3.293 0.183 7 0 "[ . 1]" 1
254 1 14 DT H4' 1 14 DT H6 5.000 4.000 6.000 4.407 4.178 4.542 . 0 0 "[ . 1]" 1
255 1 14 DT H6 1 14 DT M7 3.020 2.420 3.620 2.232 2.227 2.253 0.193 3 0 "[ . 1]" 1
256 1 14 DT H6 1 18 DG H8 4.630 3.240 6.020 5.066 4.288 5.813 . 0 0 "[ . 1]" 1
257 1 14 DT M7 1 18 DG H1' 4.320 3.020 5.620 4.581 3.747 5.654 0.034 9 0 "[ . 1]" 1
258 1 14 DT M7 1 18 DG H2'' 3.720 2.600 4.840 3.452 2.651 4.863 0.023 6 0 "[ . 1]" 1
259 1 14 DT M7 1 18 DG H8 3.790 3.030 4.550 3.415 2.775 4.572 0.255 2 0 "[ . 1]" 1
260 1 15 DG H1 1 17 DG H1 3.800 2.600 5.000 4.291 3.914 5.034 0.034 9 0 "[ . 1]" 1
261 1 15 DG H1 1 17 DG H2' 5.000 3.500 6.500 6.185 5.537 6.571 0.071 5 0 "[ . 1]" 1
262 1 15 DG H1 1 18 DG H8 5.000 3.500 6.500 5.476 5.103 5.764 . 0 0 "[ . 1]" 1
263 1 15 DG H1' 1 15 DG H2' 2.370 . 2.840 3.015 2.999 3.024 0.184 3 0 "[ . 1]" 1
264 1 15 DG H1' 1 15 DG H2'' 2.340 . 2.810 2.384 2.319 2.422 . 0 0 "[ . 1]" 1
265 1 15 DG H1' 1 15 DG H3' 4.120 2.890 5.350 3.816 3.766 3.872 . 0 0 "[ . 1]" 1
266 1 15 DG H1' 1 15 DG H8 2.420 . 2.900 2.610 2.601 2.623 . 0 0 "[ . 1]" 1
267 1 15 DG H2' 1 15 DG H8 3.710 2.600 4.820 4.500 4.461 4.557 . 0 0 "[ . 1]" 1
268 1 15 DG H2' 1 17 DG H8 3.050 2.440 3.660 2.868 2.767 2.929 . 0 0 "[ . 1]" 1
269 1 15 DG H2'' 1 15 DG H8 3.390 2.370 4.410 4.118 4.031 4.316 . 0 0 "[ . 1]" 1
270 1 15 DG H2'' 1 17 DG H8 3.680 2.940 4.420 3.779 3.734 3.812 . 0 0 "[ . 1]" 1
271 1 15 DG H21 1 17 DG H8 5.000 3.500 6.500 4.893 4.541 5.137 . 0 0 "[ . 1]" 1
272 1 15 DG H21 1 18 DG H8 3.800 2.600 5.000 3.486 3.219 3.693 . 0 0 "[ . 1]" 1
273 1 15 DG H3' 1 15 DG H8 5.440 3.810 7.070 6.117 6.084 6.169 . 0 0 "[ . 1]" 1
274 1 15 DG H3' 1 17 DG H8 2.930 2.050 3.810 3.459 3.092 3.817 0.007 6 0 "[ . 1]" 1
275 1 15 DG H4' 1 15 DG H8 5.000 3.500 6.500 5.518 5.312 5.714 . 0 0 "[ . 1]" 1
276 1 16 DG H1 2 2 DG H1 3.800 2.600 5.000 3.553 3.403 3.884 . 0 0 "[ . 1]" 1
277 1 16 DG H1 2 3 DG H1 3.800 2.600 5.000 4.236 4.154 4.328 . 0 0 "[ . 1]" 1
278 1 16 DG H1' 1 16 DG H2' 2.700 . 3.600 3.024 3.012 3.047 . 0 0 "[ . 1]" 1
279 1 16 DG H1' 1 16 DG H8 3.360 2.690 4.030 3.177 3.099 3.255 . 0 0 "[ . 1]" 1
280 1 16 DG H1' 1 17 DG H8 5.000 3.500 6.500 5.002 4.950 5.101 . 0 0 "[ . 1]" 1
281 1 16 DG H1' 2 2 DG H8 3.640 2.910 4.370 3.295 3.146 3.442 . 0 0 "[ . 1]" 1
282 1 16 DG H2' 1 17 DG H8 3.000 2.100 3.900 2.027 1.990 2.095 0.110 6 0 "[ . 1]" 1
283 1 16 DG H2'' 1 16 DG H8 2.390 . 3.110 2.669 2.605 2.717 . 0 0 "[ . 1]" 1
284 1 16 DG H22 2 2 DG H1 3.800 2.600 5.000 4.054 3.572 5.017 0.017 4 0 "[ . 1]" 1
285 1 16 DG H3' 1 16 DG H8 3.880 2.720 5.040 5.007 4.902 5.104 0.064 6 0 "[ . 1]" 1
286 1 16 DG H3' 1 17 DG H8 3.340 2.670 4.010 3.327 3.166 3.642 . 0 0 "[ . 1]" 1
287 1 16 DG H4' 1 16 DG H8 5.000 3.500 6.500 5.784 5.574 5.865 . 0 0 "[ . 1]" 1
288 1 16 DG H4' 1 17 DG H8 5.000 3.500 6.500 5.406 5.190 5.650 . 0 0 "[ . 1]" 1
289 1 16 DG H8 1 17 DG H1' 3.670 2.570 4.770 3.831 3.053 4.126 . 0 0 "[ . 1]" 1
290 1 16 DG H8 1 17 DG H4' 3.800 2.600 5.000 4.696 4.470 5.061 0.061 2 0 "[ . 1]" 1
291 1 16 DG H8 1 17 DG H8 3.520 2.820 4.220 3.979 3.640 4.273 0.053 9 0 "[ . 1]" 1
292 1 16 DG H8 2 2 DG H1' 3.290 2.300 4.280 4.239 4.127 4.340 0.060 6 0 "[ . 1]" 1
293 1 16 DG H8 2 2 DG H2' 3.440 2.750 4.130 3.413 2.864 4.330 0.200 1 0 "[ . 1]" 1
294 1 16 DG H8 2 2 DG H3' 4.380 3.070 5.690 5.107 4.811 5.694 0.004 1 0 "[ . 1]" 1
295 1 16 DG H8 2 2 DG H8 3.360 2.690 4.030 3.877 3.569 4.050 0.020 9 0 "[ . 1]" 1
296 1 16 DG H8 2 3 DG H1 5.000 3.500 6.500 5.426 5.270 5.593 . 0 0 "[ . 1]" 1
297 1 16 DG H8 2 3 DG H21 3.800 2.600 5.000 3.434 3.263 3.638 . 0 0 "[ . 1]" 1
298 1 17 DG H1 1 18 DG H1 5.000 3.500 6.500 4.250 3.583 4.869 . 0 0 "[ . 1]" 1
299 1 17 DG H1 2 3 DG H1 3.800 2.600 5.000 3.450 3.262 3.655 . 0 0 "[ . 1]" 1
300 1 17 DG H1 2 4 DG H1 5.000 3.500 6.500 4.259 4.197 4.327 . 0 0 "[ . 1]" 1
301 1 17 DG H1 2 4 DG H8 5.000 3.500 6.500 5.257 5.123 5.400 . 0 0 "[ . 1]" 1
302 1 17 DG H1' 1 17 DG H2'' 2.450 . 2.940 2.364 2.302 2.386 . 0 0 "[ . 1]" 1
303 1 17 DG H1' 1 17 DG H3' 3.160 2.210 4.110 3.860 3.829 3.899 . 0 0 "[ . 1]" 1
304 1 17 DG H1' 1 17 DG H4' 2.700 . 3.600 3.180 2.732 3.586 . 0 0 "[ . 1]" 1
305 1 17 DG H1' 1 17 DG H8 3.380 2.370 4.390 3.924 3.877 3.939 . 0 0 "[ . 1]" 1
306 1 17 DG H1' 1 18 DG H8 3.590 2.510 4.670 3.708 3.337 4.344 . 0 0 "[ . 1]" 1
307 1 17 DG H2' 1 17 DG H3' 2.250 . 2.700 2.335 2.261 2.386 . 0 0 "[ . 1]" 1
308 1 17 DG H2' 1 17 DG H8 3.060 2.450 3.670 2.661 2.445 3.477 0.005 6 0 "[ . 1]" 1
309 1 17 DG H2' 1 18 DG H8 2.990 2.090 3.890 3.728 2.245 3.969 0.079 10 0 "[ . 1]" 1
310 1 17 DG H2'' 1 17 DG H3' 2.510 2.010 3.010 2.782 2.704 3.039 0.029 3 0 "[ . 1]" 1
311 1 17 DG H21 2 4 DG H8 3.800 2.600 5.000 3.368 3.246 3.489 . 0 0 "[ . 1]" 1
312 1 17 DG H22 2 4 DG H8 3.800 2.600 5.000 4.084 3.972 4.210 . 0 0 "[ . 1]" 1
313 1 17 DG H3' 1 17 DG H8 3.510 2.460 4.560 4.208 2.951 4.480 . 0 0 "[ . 1]" 1
314 1 17 DG H4' 1 17 DG H8 3.800 2.600 5.000 4.784 4.514 4.978 . 0 0 "[ . 1]" 1
315 1 18 DG H1 2 4 DG H8 3.800 2.600 5.000 4.524 4.120 5.006 0.006 7 0 "[ . 1]" 1
316 1 18 DG H1 2 5 DG H1 5.000 3.500 6.500 4.242 4.104 4.413 . 0 0 "[ . 1]" 1
317 1 18 DG H1 2 5 DG H8 5.000 3.500 6.500 5.303 5.168 5.612 . 0 0 "[ . 1]" 1
318 1 18 DG H1 2 6 DA H2 5.000 3.500 6.500 5.036 3.921 5.885 . 0 0 "[ . 1]" 1
319 1 18 DG H1' 1 18 DG H2' 2.950 2.360 3.540 3.025 2.999 3.050 . 0 0 "[ . 1]" 1
320 1 18 DG H1' 1 18 DG H2'' 3.020 2.110 3.930 2.332 2.313 2.362 . 0 0 "[ . 1]" 1
321 1 18 DG H1' 1 18 DG H3' 4.220 3.380 5.060 3.941 3.857 4.001 . 0 0 "[ . 1]" 1
322 1 18 DG H1' 1 18 DG H4' 3.800 2.600 5.000 3.598 3.381 3.735 . 0 0 "[ . 1]" 1
323 1 18 DG H1' 1 18 DG H8 3.390 2.710 4.070 3.911 3.853 3.935 . 0 0 "[ . 1]" 1
324 1 18 DG H2' 1 18 DG H3' 3.060 2.140 3.980 2.343 2.308 2.363 . 0 0 "[ . 1]" 1
325 1 18 DG H2' 1 18 DG H4' 3.800 2.600 5.000 3.847 3.828 3.866 . 0 0 "[ . 1]" 1
326 1 18 DG H2' 1 18 DG H8 2.540 . 3.300 2.486 2.070 3.243 . 0 0 "[ . 1]" 1
327 1 18 DG H2'' 1 18 DG H3' 2.710 2.170 3.250 2.731 2.718 2.744 . 0 0 "[ . 1]" 1
328 1 18 DG H2'' 1 18 DG H4' 3.100 2.170 4.030 4.075 4.056 4.087 0.057 6 0 "[ . 1]" 1
329 1 18 DG H21 2 4 DG H8 3.800 2.600 5.000 3.391 3.045 3.763 . 0 0 "[ . 1]" 1
330 1 18 DG H21 2 5 DG H8 3.800 2.600 5.000 3.368 3.211 3.582 . 0 0 "[ . 1]" 1
331 1 18 DG H22 2 4 DG H8 3.800 2.600 5.000 3.193 2.984 3.574 . 0 0 "[ . 1]" 1
332 1 18 DG H22 2 5 DG H8 3.800 2.600 5.000 4.040 3.879 4.147 . 0 0 "[ . 1]" 1
333 1 18 DG H3' 1 18 DG H4' 2.700 . 3.600 2.700 2.677 2.743 . 0 0 "[ . 1]" 1
334 1 18 DG H3' 1 18 DG H8 3.800 2.600 5.000 4.196 3.895 4.499 . 0 0 "[ . 1]" 1
335 1 18 DG H4' 1 18 DG H8 3.690 2.580 4.800 4.559 4.144 4.858 0.058 9 0 "[ . 1]" 1
336 2 1 DT H1' 2 1 DT H2' 2.640 2.110 3.170 2.907 2.830 2.980 . 0 0 "[ . 1]" 1
337 2 1 DT H1' 2 1 DT H2'' 2.400 . 2.880 2.286 2.270 2.312 . 0 0 "[ . 1]" 1
338 2 1 DT H1' 2 1 DT H3' 3.800 2.600 5.000 3.946 3.822 4.068 . 0 0 "[ . 1]" 1
339 2 1 DT H1' 2 1 DT H4' 3.200 2.560 3.840 3.368 2.765 3.791 . 0 0 "[ . 1]" 1
340 2 1 DT H1' 2 1 DT H6 3.360 2.690 4.030 3.746 3.736 3.766 . 0 0 "[ . 1]" 1
341 2 1 DT H2' 2 1 DT H3' 2.560 2.050 3.070 2.336 2.284 2.419 . 0 0 "[ . 1]" 1
342 2 1 DT H2' 2 1 DT H6 2.690 . 3.500 2.095 1.995 2.266 . 0 0 "[ . 1]" 1
343 2 1 DT H2' 2 2 DG H8 3.580 2.510 4.650 3.524 2.942 3.926 . 0 0 "[ . 1]" 1
344 2 1 DT H2'' 2 1 DT H3' 2.640 2.110 3.170 2.907 2.786 3.038 . 0 0 "[ . 1]" 1
345 2 1 DT H2'' 2 1 DT H6 2.870 2.010 3.730 3.613 3.555 3.717 . 0 0 "[ . 1]" 1
346 2 1 DT H2'' 2 2 DG H8 3.420 2.390 4.450 4.228 3.432 4.756 0.306 6 0 "[ . 1]" 1
347 2 1 DT H3' 2 1 DT H5' 2.320 . 2.780 2.519 2.413 2.778 . 0 0 "[ . 1]" 1
348 2 1 DT H3' 2 1 DT H5'' 2.700 . 3.600 3.115 2.397 3.700 0.100 2 0 "[ . 1]" 1
349 2 1 DT H3' 2 1 DT H6 2.480 . 2.980 2.758 2.116 3.299 0.319 5 0 "[ . 1]" 1
350 2 1 DT H3' 2 2 DG H8 3.850 2.690 5.010 4.024 2.466 5.056 0.224 6 0 "[ . 1]" 1
351 2 1 DT H4' 2 1 DT H5' 3.130 2.500 3.760 2.726 2.354 3.045 0.146 1 0 "[ . 1]" 1
352 2 1 DT H5' 2 1 DT H6 3.170 2.540 3.800 3.705 3.592 3.847 0.047 6 0 "[ . 1]" 1
353 2 1 DT H6 2 1 DT M7 2.950 2.360 3.540 2.240 2.227 2.324 0.133 3 0 "[ . 1]" 1
354 2 1 DT M7 2 2 DG H1 3.800 2.600 5.000 4.411 2.586 5.091 0.091 6 0 "[ . 1]" 1
355 2 2 DG H1' 2 2 DG H4' 3.490 2.790 4.190 3.567 3.343 3.679 . 0 0 "[ . 1]" 1
356 2 2 DG H1' 2 2 DG H8 3.360 2.690 4.030 3.841 3.729 3.892 . 0 0 "[ . 1]" 1
357 2 2 DG H1' 2 3 DG H1 3.800 2.600 5.000 3.966 3.498 4.415 . 0 0 "[ . 1]" 1
358 2 2 DG H1' 2 3 DG H21 3.800 2.600 5.000 2.675 2.551 2.927 0.049 4 0 "[ . 1]" 1
359 2 2 DG H2' 2 2 DG H3' 2.460 . 2.950 2.312 2.288 2.334 . 0 0 "[ . 1]" 1
360 2 2 DG H2' 2 2 DG H4' 3.070 2.150 3.990 3.826 3.801 3.862 . 0 0 "[ . 1]" 1
361 2 2 DG H2' 2 2 DG H8 2.700 . 3.600 2.044 1.975 2.115 . 0 0 "[ . 1]" 1
362 2 2 DG H2'' 2 2 DG H3' 2.200 . 2.640 2.718 2.707 2.728 0.088 3 0 "[ . 1]" 1
363 2 2 DG H2'' 2 2 DG H8 2.450 . 3.190 3.404 2.977 3.657 0.467 5 0 "[ . 1]" 1
364 2 2 DG H2'' 2 3 DG H1 5.000 3.500 6.500 5.059 4.879 5.219 . 0 0 "[ . 1]" 1
365 2 2 DG H2'' 2 3 DG H21 3.800 2.600 5.000 2.933 2.681 3.306 . 0 0 "[ . 1]" 1
366 2 2 DG H3' 2 2 DG H4' 2.630 2.100 3.160 2.700 2.662 2.742 . 0 0 "[ . 1]" 1
367 2 2 DG H3' 2 2 DG H8 3.230 2.100 4.360 4.138 3.975 4.374 0.014 1 0 "[ . 1]" 1
368 2 2 DG H4' 2 2 DG H8 4.510 3.160 5.860 5.020 4.717 5.432 . 0 0 "[ . 1]" 1
369 2 3 DG H1' 2 3 DG H2' 2.630 2.100 3.160 3.053 3.037 3.070 . 0 0 "[ . 1]" 1
370 2 3 DG H1' 2 3 DG H2'' 2.400 . 2.880 2.376 2.334 2.393 . 0 0 "[ . 1]" 1
371 2 3 DG H1' 2 3 DG H3' 3.800 2.600 5.000 3.831 3.779 3.884 . 0 0 "[ . 1]" 1
372 2 3 DG H1' 2 3 DG H4' 3.800 2.600 5.000 3.195 2.979 3.412 . 0 0 "[ . 1]" 1
373 2 3 DG H1' 2 3 DG H8 2.450 . 2.940 2.609 2.599 2.619 . 0 0 "[ . 1]" 1
374 2 3 DG H1' 2 4 DG H5' 2.630 2.100 3.160 2.350 2.063 2.647 0.037 5 0 "[ . 1]" 1
375 2 3 DG H1' 2 4 DG H8 3.360 2.350 4.370 4.265 3.983 4.442 0.072 9 0 "[ . 1]" 1
376 2 3 DG H2' 2 3 DG H3' 2.600 2.080 3.120 2.310 2.266 2.362 . 0 0 "[ . 1]" 1
377 2 3 DG H2' 2 3 DG H8 4.280 3.420 5.140 4.414 4.340 4.496 . 0 0 "[ . 1]" 1
378 2 3 DG H2' 2 4 DG H8 2.710 . 3.660 2.883 2.586 3.269 . 0 0 "[ . 1]" 1
379 2 3 DG H2'' 2 3 DG H3' 2.780 2.220 3.340 2.730 2.697 2.771 . 0 0 "[ . 1]" 1
380 2 3 DG H2'' 2 3 DG H8 3.330 2.660 4.000 3.937 3.863 4.045 0.045 5 0 "[ . 1]" 1
381 2 3 DG H2'' 2 4 DG H8 2.540 . 3.550 2.139 2.037 2.253 . 0 0 "[ . 1]" 1
382 2 3 DG H3' 2 3 DG H8 5.000 3.500 6.500 6.048 6.024 6.078 . 0 0 "[ . 1]" 1
383 2 3 DG H3' 2 4 DG H8 4.130 3.300 4.960 4.155 3.797 4.598 . 0 0 "[ . 1]" 1
384 2 3 DG H4' 2 3 DG H8 5.000 3.500 6.500 5.636 5.469 5.776 . 0 0 "[ . 1]" 1
385 2 3 DG H8 2 4 DG H1' 3.910 3.130 4.690 4.399 3.916 4.701 0.011 5 0 "[ . 1]" 1
386 2 3 DG H8 2 4 DG H4' 3.430 2.400 4.460 4.363 4.079 4.538 0.078 9 0 "[ . 1]" 1
387 2 3 DG H8 2 4 DG H8 4.070 2.850 5.290 4.895 4.306 5.209 . 0 0 "[ . 1]" 1
388 2 4 DG H1' 2 4 DG H2'' 2.190 . 2.630 2.371 2.287 2.404 . 0 0 "[ . 1]" 1
389 2 4 DG H1' 2 4 DG H3' 3.800 2.600 5.000 3.831 3.787 3.872 . 0 0 "[ . 1]" 1
390 2 4 DG H1' 2 4 DG H4' 2.900 2.030 3.770 3.229 3.026 3.336 . 0 0 "[ . 1]" 1
391 2 4 DG H1' 2 4 DG H5' 5.000 3.500 6.500 4.601 4.521 4.682 . 0 0 "[ . 1]" 1
392 2 4 DG H1' 2 4 DG H8 3.380 2.700 4.060 3.850 3.765 3.899 . 0 0 "[ . 1]" 1
393 2 4 DG H1' 2 5 DG H8 2.880 2.020 3.740 3.432 3.058 3.809 0.069 3 0 "[ . 1]" 1
394 2 4 DG H2'' 2 4 DG H8 2.700 . 3.600 3.413 3.064 3.914 0.314 6 0 "[ . 1]" 1
395 2 4 DG H3' 2 4 DG H4' 2.650 2.120 3.180 2.809 2.743 3.009 . 0 0 "[ . 1]" 1
396 2 4 DG H3' 2 4 DG H5' 2.730 . 3.550 3.616 3.549 3.648 0.098 1 0 "[ . 1]" 1
397 2 4 DG H3' 2 4 DG H8 3.460 2.420 4.500 3.951 2.384 4.386 0.036 8 0 "[ . 1]" 1
398 2 4 DG H4' 2 4 DG H8 4.250 2.980 5.520 5.085 4.675 5.313 . 0 0 "[ . 1]" 1
399 2 4 DG H5' 2 4 DG H8 3.510 2.460 4.560 4.663 4.461 4.815 0.255 5 0 "[ . 1]" 1
400 2 4 DG H8 2 5 DG H8 3.910 2.740 5.080 5.096 4.652 5.268 0.188 7 0 "[ . 1]" 1
401 2 5 DG H1' 2 5 DG H2' 3.220 2.250 4.190 3.038 2.837 3.068 . 0 0 "[ . 1]" 1
402 2 5 DG H1' 2 5 DG H2'' 2.450 . 3.190 2.366 2.296 2.397 . 0 0 "[ . 1]" 1
403 2 5 DG H1' 2 5 DG H3' 4.410 3.530 5.290 3.834 3.777 3.890 . 0 0 "[ . 1]" 1
404 2 5 DG H1' 2 5 DG H4' 2.640 . 3.430 3.254 3.117 3.369 . 0 0 "[ . 1]" 1
405 2 5 DG H1' 2 5 DG H8 3.260 2.610 3.910 3.907 3.880 3.921 0.011 5 0 "[ . 1]" 1
406 2 5 DG H1' 2 6 DA H8 3.800 2.600 5.000 4.050 3.537 5.059 0.059 8 0 "[ . 1]" 1
407 2 5 DG H2' 2 5 DG H3' 2.500 . 3.000 2.332 2.258 2.362 . 0 0 "[ . 1]" 1
408 2 5 DG H2' 2 5 DG H4' 3.000 2.100 3.900 3.816 3.795 3.855 . 0 0 "[ . 1]" 1
409 2 5 DG H2' 2 5 DG H8 2.700 . 3.600 2.272 2.127 2.581 . 0 0 "[ . 1]" 1
410 2 5 DG H2' 2 6 DA H8 2.710 . 3.520 3.160 2.386 3.601 0.081 7 0 "[ . 1]" 1
411 2 5 DG H2'' 2 5 DG H3' 2.700 2.160 3.240 2.738 2.685 3.013 . 0 0 "[ . 1]" 1
412 2 5 DG H2'' 2 5 DG H8 2.690 . 3.500 3.665 3.472 4.000 0.500 8 1 "[ . + 1]" 1
413 2 5 DG H2'' 2 6 DA H8 2.930 2.050 3.810 2.327 2.071 3.573 . 0 0 "[ . 1]" 1
414 2 5 DG H3' 2 5 DG H4' 2.640 2.110 3.170 2.783 2.724 3.020 . 0 0 "[ . 1]" 1
415 2 5 DG H3' 2 5 DG H5' 2.700 . 3.600 3.398 2.410 3.661 0.061 8 0 "[ . 1]" 1
416 2 5 DG H3' 2 5 DG H5'' 2.930 2.050 3.810 2.562 2.480 2.976 . 0 0 "[ . 1]" 1
417 2 5 DG H3' 2 5 DG H8 3.480 2.440 4.520 4.114 2.406 4.459 0.034 8 0 "[ . 1]" 1
418 2 5 DG H3' 2 6 DA H8 3.490 2.440 4.540 4.510 3.922 4.697 0.157 7 0 "[ . 1]" 1
419 2 5 DG H4' 2 5 DG H5' 2.780 2.220 3.340 2.449 2.422 2.495 . 0 0 "[ . 1]" 1
420 2 5 DG H4' 2 5 DG H5'' 2.750 2.200 3.300 2.554 2.403 3.039 . 0 0 "[ . 1]" 1
421 2 5 DG H4' 2 5 DG H8 5.000 4.000 6.000 4.930 4.617 5.077 . 0 0 "[ . 1]" 1
422 2 5 DG H5' 2 5 DG H8 5.000 3.500 6.500 4.529 4.001 5.071 . 0 0 "[ . 1]" 1
423 2 5 DG H5'' 2 5 DG H8 4.330 3.460 5.200 4.547 3.397 5.237 0.063 5 0 "[ . 1]" 1
424 2 5 DG H8 2 6 DA H8 3.910 2.740 5.080 4.426 3.858 5.132 0.052 7 0 "[ . 1]" 1
425 2 6 DA H1' 2 6 DA H2 5.620 4.500 6.740 4.480 4.447 4.528 0.053 3 0 "[ . 1]" 1
426 2 6 DA H1' 2 6 DA H2' 2.690 2.150 3.230 2.958 2.765 3.058 . 0 0 "[ . 1]" 1
427 2 6 DA H1' 2 6 DA H2'' 2.360 . 2.830 2.330 2.298 2.381 . 0 0 "[ . 1]" 1
428 2 6 DA H1' 2 6 DA H3' 3.800 2.600 5.000 3.904 3.845 3.966 . 0 0 "[ . 1]" 1
429 2 6 DA H1' 2 6 DA H4' 3.800 2.600 5.000 3.335 2.799 3.657 . 0 0 "[ . 1]" 1
430 2 6 DA H1' 2 6 DA H5' 5.000 3.500 6.500 4.844 4.477 5.108 . 0 0 "[ . 1]" 1
431 2 6 DA H1' 2 6 DA H8 3.390 2.710 4.070 3.909 3.878 3.931 . 0 0 "[ . 1]" 1
432 2 6 DA H2' 2 6 DA H3' 2.400 . 2.880 2.336 2.309 2.395 . 0 0 "[ . 1]" 1
433 2 6 DA H2' 2 6 DA H8 2.550 . 3.320 2.820 2.205 3.393 0.073 2 0 "[ . 1]" 1
434 2 6 DA H2'' 2 6 DA H8 3.800 2.600 5.000 4.184 3.683 4.561 . 0 0 "[ . 1]" 1
435 2 6 DA H3' 2 6 DA H8 3.120 2.180 4.060 3.623 2.274 4.236 0.176 5 0 "[ . 1]" 1
436 2 6 DA H4' 2 6 DA H8 5.000 3.500 6.500 4.535 4.253 4.932 . 0 0 "[ . 1]" 1
437 2 6 DA H5' 2 6 DA H8 4.530 3.620 5.440 4.195 3.796 5.003 . 0 0 "[ . 1]" 1
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