NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
534664 |
2lpw   |
18279 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lpw
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 848
_Distance_constraint_stats_list.Viol_count 789
_Distance_constraint_stats_list.Viol_total 191.033
_Distance_constraint_stats_list.Viol_max 0.362
_Distance_constraint_stats_list.Viol_rms 0.0110
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0023
_Distance_constraint_stats_list.Viol_average_violations_only 0.0242
_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 DA 1.628 0.075 5 0 "[ . 1]"
1 2 DA 2.748 0.128 7 0 "[ . 1]"
1 3 DG 0.835 0.049 4 0 "[ . 1]"
1 4 DG 0.952 0.069 6 0 "[ . 1]"
1 5 DG 0.547 0.069 6 0 "[ . 1]"
1 6 DT 0.082 0.055 4 0 "[ . 1]"
1 7 DG 0.685 0.083 3 0 "[ . 1]"
1 8 DG 0.843 0.083 1 0 "[ . 1]"
1 9 DG 1.916 0.105 4 0 "[ . 1]"
1 10 DT 2.335 0.105 4 0 "[ . 1]"
1 11 DG 1.575 0.074 9 0 "[ . 1]"
1 12 DT 2.620 0.208 9 0 "[ . 1]"
1 13 DA 2.040 0.208 9 0 "[ . 1]"
1 14 DA 1.466 0.362 10 0 "[ . 1]"
1 15 DG 1.083 0.082 10 0 "[ . 1]"
1 16 DT 1.230 0.155 10 0 "[ . 1]"
1 17 DG 2.010 0.096 3 0 "[ . 1]"
1 18 DT 1.647 0.096 3 0 "[ . 1]"
1 19 DG 2.059 0.113 1 0 "[ . 1]"
1 20 DG 0.559 0.076 1 0 "[ . 1]"
1 21 DG 0.153 0.040 9 0 "[ . 1]"
1 22 DT 0.222 0.034 1 0 "[ . 1]"
1 23 DG 1.509 0.128 7 0 "[ . 1]"
1 24 DG 0.020 0.011 9 0 "[ . 1]"
1 25 DG 0.760 0.065 8 0 "[ . 1]"
1 26 DT 0.779 0.070 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 DA H3' 1 1 DA H8 4.300 3.010 5.590 5.165 4.987 5.485 . 0 0 "[ . 1]" 1
2 1 1 DA H1' 1 1 DA H3' 4.340 3.470 5.210 3.981 3.838 4.085 . 0 0 "[ . 1]" 1
3 1 1 DA H2' 1 1 DA H8 3.090 2.470 3.710 2.941 2.692 3.321 . 0 0 "[ . 1]" 1
4 1 1 DA H2'' 1 1 DA H8 3.570 2.500 4.640 2.850 2.556 3.080 . 0 0 "[ . 1]" 1
5 1 1 DA H1' 1 1 DA H8 3.030 2.420 3.640 3.085 2.856 3.203 . 0 0 "[ . 1]" 1
6 1 1 DA H1' 1 1 DA H2' 3.400 2.720 4.080 2.984 2.929 3.025 . 0 0 "[ . 1]" 1
7 1 1 DA H1' 1 1 DA H2'' 3.010 2.110 3.910 2.154 2.095 2.179 0.015 9 0 "[ . 1]" 1
8 1 1 DA H2'' 1 1 DA H3' 3.180 2.540 3.820 2.941 2.905 2.980 . 0 0 "[ . 1]" 1
9 1 1 DA H2' 1 1 DA H3' 2.870 2.300 3.440 2.346 2.328 2.358 . 0 0 "[ . 1]" 1
10 1 1 DA H1' 1 1 DA H4' 3.820 3.060 4.580 3.642 3.270 3.845 . 0 0 "[ . 1]" 1
11 1 1 DA H3' 1 1 DA H4' 3.220 2.580 3.860 2.708 2.667 2.774 . 0 0 "[ . 1]" 1
12 1 1 DA H2' 1 1 DA H4' 4.450 3.560 5.340 3.856 3.834 3.920 . 0 0 "[ . 1]" 1
13 1 1 DA H2'' 1 1 DA H4' 4.700 3.760 5.640 4.138 4.092 4.176 . 0 0 "[ . 1]" 1
14 1 1 DA H4' 1 1 DA H5' 2.700 . 3.600 2.708 2.468 3.050 . 0 0 "[ . 1]" 1
15 1 1 DA H4' 1 1 DA H5'' 2.700 . 3.600 2.804 2.445 3.037 . 0 0 "[ . 1]" 1
16 1 1 DA H3' 1 1 DA H5'' 4.500 . 7.200 3.135 2.739 3.692 . 0 0 "[ . 1]" 1
17 1 1 DA H3' 1 1 DA H5' 4.500 . 7.200 2.606 2.457 2.880 . 0 0 "[ . 1]" 1
18 1 1 DA H1' 1 1 DA H5' 5.500 3.800 7.200 4.703 3.988 5.069 . 0 0 "[ . 1]" 1
19 1 1 DA H1' 1 1 DA H5'' 5.500 3.800 7.200 4.324 3.947 4.672 . 0 0 "[ . 1]" 1
20 1 1 DA H1' 1 1 DA H2 5.500 3.800 7.200 5.629 5.526 5.857 . 0 0 "[ . 1]" 1
21 1 1 DA H2' 1 1 DA H2'' 2.700 . 3.600 1.789 1.786 1.794 0.014 3 0 "[ . 1]" 1
22 1 1 DA H2 1 1 DA H4' 5.670 4.540 6.800 5.333 5.001 5.708 . 0 0 "[ . 1]" 1
23 1 1 DA H2 1 1 DA H5' 4.510 3.610 5.410 5.040 4.380 5.433 0.023 5 0 "[ . 1]" 1
24 1 1 DA H2 1 1 DA H5'' 4.500 3.600 5.400 4.202 3.598 4.586 0.002 9 0 "[ . 1]" 1
25 1 1 DA H3' 1 2 DA H8 4.500 . 7.200 2.849 2.599 3.380 . 0 0 "[ . 1]" 1
26 1 1 DA H1' 1 2 DA H1' 5.500 3.800 7.200 5.830 5.535 6.122 . 0 0 "[ . 1]" 1
27 1 1 DA H1' 1 2 DA H3' 5.500 3.800 7.200 6.648 6.311 6.879 . 0 0 "[ . 1]" 1
28 1 1 DA H2' 1 2 DA H8 4.240 3.390 5.090 4.114 3.938 4.270 . 0 0 "[ . 1]" 1
29 1 1 DA H2'' 1 2 DA H8 4.500 . 7.200 4.115 3.796 4.614 . 0 0 "[ . 1]" 1
30 1 1 DA H8 1 2 DA H1' 5.500 3.800 7.200 5.054 4.482 5.418 . 0 0 "[ . 1]" 1
31 1 1 DA H1' 1 2 DA H8 5.120 4.100 6.140 5.888 5.622 6.160 0.020 9 0 "[ . 1]" 1
32 1 1 DA H1' 1 2 DA H2 5.500 3.800 7.200 5.950 5.708 6.168 . 0 0 "[ . 1]" 1
33 1 1 DA H2' 1 2 DA H2 5.500 3.800 7.200 3.912 3.795 4.012 0.005 8 0 "[ . 1]" 1
34 1 1 DA H2'' 1 2 DA H2 3.800 3.000 4.600 4.643 4.601 4.675 0.075 5 0 "[ . 1]" 1
35 1 1 DA H2' 1 2 DA H1' 5.500 3.800 7.200 4.423 3.979 4.864 . 0 0 "[ . 1]" 1
36 1 1 DA H2'' 1 2 DA H1' 4.500 . 7.200 3.787 3.491 4.197 . 0 0 "[ . 1]" 1
37 1 1 DA H1' 1 2 DA H2' 5.500 3.800 7.200 6.457 6.246 6.652 . 0 0 "[ . 1]" 1
38 1 1 DA H1' 1 2 DA H2'' 5.780 4.050 7.510 7.332 7.205 7.532 0.022 7 0 "[ . 1]" 1
39 1 1 DA H2'' 1 2 DA H3' 5.500 3.800 7.200 5.188 4.824 5.369 . 0 0 "[ . 1]" 1
40 1 1 DA H2' 1 2 DA H2' 5.500 3.800 7.200 5.212 4.883 5.434 . 0 0 "[ . 1]" 1
41 1 1 DA H2'' 1 2 DA H2'' 5.500 3.800 7.200 5.328 5.215 5.544 . 0 0 "[ . 1]" 1
42 1 1 DA H1' 1 2 DA H4' 5.330 4.260 6.400 4.948 4.699 5.256 . 0 0 "[ . 1]" 1
43 1 1 DA H5'' 1 2 DA H8 5.500 3.800 7.200 5.748 4.873 6.636 . 0 0 "[ . 1]" 1
44 1 1 DA H5' 1 2 DA H8 5.500 3.800 7.200 5.115 4.450 5.744 . 0 0 "[ . 1]" 1
45 1 1 DA H5'' 1 2 DA H2 5.500 3.800 7.200 6.246 5.250 7.220 0.020 10 0 "[ . 1]" 1
46 1 1 DA H5' 1 2 DA H2 5.500 3.800 7.200 6.398 5.454 7.204 0.004 9 0 "[ . 1]" 1
47 1 1 DA H1' 1 2 DA H5' 3.760 3.010 4.510 3.323 3.289 3.373 . 0 0 "[ . 1]" 1
48 1 1 DA H1' 1 2 DA H5'' 4.190 3.350 5.030 5.079 5.047 5.104 0.074 9 0 "[ . 1]" 1
49 1 1 DA H2' 1 2 DA H5'' 5.500 3.800 7.200 5.851 5.557 6.047 . 0 0 "[ . 1]" 1
50 1 1 DA H2' 1 2 DA H5' 5.500 3.800 7.200 4.348 4.057 4.529 . 0 0 "[ . 1]" 1
51 1 1 DA H8 1 2 DA H8 5.500 3.800 7.200 6.546 5.960 6.984 . 0 0 "[ . 1]" 1
52 1 1 DA H3' 1 2 DA H2 5.500 3.800 7.200 5.924 5.706 6.129 . 0 0 "[ . 1]" 1
53 1 1 DA H8 1 2 DA H5' 5.500 3.800 7.200 5.126 4.790 5.342 . 0 0 "[ . 1]" 1
54 1 1 DA H8 1 2 DA H5'' 5.500 3.800 7.200 6.695 6.261 6.986 . 0 0 "[ . 1]" 1
55 1 1 DA H8 1 2 DA H4' 5.500 3.800 7.200 5.540 4.988 6.066 . 0 0 "[ . 1]" 1
56 1 1 DA H3' 1 2 DA H1' 5.500 3.800 7.200 5.116 4.446 5.771 . 0 0 "[ . 1]" 1
57 1 1 DA H3' 1 2 DA H5' 5.500 3.800 7.200 4.206 4.065 4.370 . 0 0 "[ . 1]" 1
58 1 1 DA H4' 1 2 DA H2 6.000 4.200 7.800 7.724 7.569 7.836 0.036 9 0 "[ . 1]" 1
59 1 1 DA H4' 1 2 DA H8 5.500 3.800 7.200 5.283 5.146 5.672 . 0 0 "[ . 1]" 1
60 1 1 DA H2 1 17 DG H1' 5.750 4.020 7.480 6.772 4.109 7.483 0.003 8 0 "[ . 1]" 1
61 1 1 DA H8 1 18 DT C7 5.030 3.520 7.040 7.047 6.960 7.073 0.033 1 0 "[ . 1]" 1
62 1 1 DA H5' 1 23 DG H8 5.500 3.800 7.200 6.460 5.738 7.010 . 0 0 "[ . 1]" 1
63 1 1 DA H5'' 1 23 DG H8 5.500 3.800 7.200 7.156 6.756 7.226 0.026 9 0 "[ . 1]" 1
64 1 2 DA H3' 1 2 DA H8 4.500 . 7.200 4.109 3.812 4.256 . 0 0 "[ . 1]" 1
65 1 2 DA H1' 1 2 DA H3' 4.050 3.240 4.860 3.931 3.853 4.022 . 0 0 "[ . 1]" 1
66 1 2 DA H2'' 1 2 DA H8 4.500 . 7.200 3.557 3.465 3.774 . 0 0 "[ . 1]" 1
67 1 2 DA H2' 1 2 DA H8 4.500 . 7.200 2.086 1.983 2.176 . 0 0 "[ . 1]" 1
68 1 2 DA H1' 1 2 DA H8 3.780 3.020 4.540 3.863 3.817 3.903 . 0 0 "[ . 1]" 1
69 1 2 DA H1' 1 2 DA H2 5.300 4.240 6.360 4.518 4.445 4.606 . 0 0 "[ . 1]" 1
70 1 2 DA H1' 1 2 DA H2'' 2.890 2.310 3.470 2.321 2.272 2.512 0.038 8 0 "[ . 1]" 1
71 1 2 DA H1' 1 2 DA H2' 3.150 2.520 3.780 2.988 2.949 3.010 . 0 0 "[ . 1]" 1
72 1 2 DA H2' 1 2 DA H3' 2.700 . 3.600 2.343 2.281 2.388 . 0 0 "[ . 1]" 1
73 1 2 DA H1' 1 2 DA H4' 3.600 2.880 4.320 3.363 2.797 3.785 0.083 4 0 "[ . 1]" 1
74 1 2 DA H2'' 1 2 DA H4' 3.800 3.000 4.600 3.924 3.470 4.182 . 0 0 "[ . 1]" 1
75 1 2 DA H2' 1 2 DA H4' 3.800 3.000 4.600 3.847 3.779 3.910 . 0 0 "[ . 1]" 1
76 1 2 DA H4' 1 2 DA H5' 2.850 2.280 3.420 2.488 2.418 2.588 . 0 0 "[ . 1]" 1
77 1 2 DA H4' 1 2 DA H5'' 2.700 . 3.600 2.437 2.340 2.521 . 0 0 "[ . 1]" 1
78 1 2 DA H3' 1 2 DA H5' 4.500 . 7.200 3.675 3.581 3.727 . 0 0 "[ . 1]" 1
79 1 2 DA H3' 1 2 DA H5'' 4.500 . 7.200 2.677 2.482 3.017 . 0 0 "[ . 1]" 1
80 1 2 DA H5' 1 2 DA H8 5.340 3.740 6.940 4.520 3.930 5.356 . 0 0 "[ . 1]" 1
81 1 2 DA H5'' 1 2 DA H8 5.030 3.520 6.540 4.828 4.042 5.996 . 0 0 "[ . 1]" 1
82 1 2 DA H1' 1 2 DA H5' 5.420 4.340 6.500 4.553 4.439 4.668 . 0 0 "[ . 1]" 1
83 1 2 DA H1' 1 2 DA H5'' 5.350 4.280 6.420 4.940 4.860 5.005 . 0 0 "[ . 1]" 1
84 1 2 DA H3' 1 2 DA H4' 2.700 . 3.600 2.785 2.661 2.981 . 0 0 "[ . 1]" 1
85 1 2 DA H4' 1 2 DA H8 4.500 . 7.200 5.073 4.909 5.316 . 0 0 "[ . 1]" 1
86 1 2 DA H1' 1 3 DG H1' 5.500 3.800 7.200 6.112 5.625 6.341 . 0 0 "[ . 1]" 1
87 1 2 DA H1' 1 3 DG H3' 5.500 3.800 7.200 6.661 5.298 7.143 . 0 0 "[ . 1]" 1
88 1 2 DA H1' 1 3 DG H8 4.050 3.240 4.860 3.427 3.214 3.685 0.026 2 0 "[ . 1]" 1
89 1 2 DA H2' 1 3 DG H8 4.500 . 7.200 5.183 4.911 5.361 . 0 0 "[ . 1]" 1
90 1 2 DA H2'' 1 3 DG H8 3.050 2.440 3.660 3.531 3.169 3.686 0.026 7 0 "[ . 1]" 1
91 1 2 DA H1' 1 3 DG H2' 5.500 3.800 7.200 5.633 5.082 5.835 . 0 0 "[ . 1]" 1
92 1 2 DA H1' 1 3 DG H2'' 5.500 3.800 7.200 7.006 6.575 7.216 0.016 10 0 "[ . 1]" 1
93 1 2 DA H8 1 3 DG H8 4.500 . 7.200 6.752 6.445 6.908 . 0 0 "[ . 1]" 1
94 1 2 DA H3' 1 3 DG H8 4.500 . 7.200 5.232 4.582 5.697 . 0 0 "[ . 1]" 1
95 1 2 DA H2 1 18 DT C7 5.550 3.890 7.710 5.235 5.136 5.386 . 0 0 "[ . 1]" 1
96 1 2 DA H2 1 18 DT H6 5.500 3.800 7.200 6.425 6.359 6.615 . 0 0 "[ . 1]" 1
97 1 2 DA H2' 1 23 DG H2' 5.500 3.800 7.200 5.695 5.344 6.214 . 0 0 "[ . 1]" 1
98 1 2 DA H2 1 23 DG H1' 6.000 4.800 7.200 7.304 7.268 7.328 0.128 7 0 "[ . 1]" 1
99 1 3 DG H1' 1 3 DG H3' 4.500 . 7.200 3.971 3.941 3.996 . 0 0 "[ . 1]" 1
100 1 3 DG H2' 1 3 DG H8 2.810 . 3.650 2.311 2.067 2.724 . 0 0 "[ . 1]" 1
101 1 3 DG H2'' 1 3 DG H8 3.800 3.000 4.600 3.887 3.643 4.218 . 0 0 "[ . 1]" 1
102 1 3 DG H1' 1 3 DG H2'' 2.940 2.350 3.530 2.347 2.315 2.418 0.035 6 0 "[ . 1]" 1
103 1 3 DG H1' 1 3 DG H2' 2.700 . 3.600 2.975 2.886 2.999 . 0 0 "[ . 1]" 1
104 1 3 DG H2'' 1 3 DG H3' 3.110 2.490 3.730 2.786 2.662 2.974 . 0 0 "[ . 1]" 1
105 1 3 DG H1' 1 3 DG H8 3.960 3.170 4.750 3.888 3.864 3.905 . 0 0 "[ . 1]" 1
106 1 3 DG H2' 1 3 DG H3' 2.700 . 3.600 2.320 2.277 2.339 . 0 0 "[ . 1]" 1
107 1 3 DG H2' 1 3 DG H2'' 2.700 . 3.600 1.789 1.785 1.791 0.015 4 0 "[ . 1]" 1
108 1 3 DG H4' 1 3 DG H8 5.110 4.090 6.130 4.692 4.555 4.885 . 0 0 "[ . 1]" 1
109 1 3 DG H1' 1 3 DG H4' 2.700 . 3.600 3.434 2.868 3.617 0.017 3 0 "[ . 1]" 1
110 1 3 DG H3' 1 3 DG H4' 2.700 . 3.600 2.797 2.723 3.007 . 0 0 "[ . 1]" 1
111 1 3 DG H5' 1 3 DG H8 4.520 3.620 5.420 4.026 3.603 5.014 0.017 5 0 "[ . 1]" 1
112 1 3 DG H5'' 1 3 DG H8 5.500 3.800 7.200 4.228 3.899 5.071 . 0 0 "[ . 1]" 1
113 1 3 DG H1' 1 3 DG H5'' 4.500 . 7.200 5.054 4.951 5.087 . 0 0 "[ . 1]" 1
114 1 3 DG H1' 1 3 DG H5' 4.500 . 7.200 4.700 4.507 4.875 . 0 0 "[ . 1]" 1
115 1 3 DG H3' 1 3 DG H5' 3.390 2.370 4.410 3.645 3.567 3.670 . 0 0 "[ . 1]" 1
116 1 3 DG H3' 1 3 DG H5'' 3.160 2.210 4.110 2.492 2.246 2.823 . 0 0 "[ . 1]" 1
117 1 3 DG H4' 1 3 DG H5' 2.960 2.070 3.850 2.427 2.301 2.501 . 0 0 "[ . 1]" 1
118 1 3 DG H4' 1 3 DG H5'' 2.820 . 3.670 2.494 2.412 2.662 . 0 0 "[ . 1]" 1
119 1 3 DG H2'' 1 3 DG H5'' 4.500 . 7.200 4.792 4.661 4.976 . 0 0 "[ . 1]" 1
120 1 3 DG H2'' 1 3 DG H5' 4.500 . 7.200 5.229 5.167 5.362 . 0 0 "[ . 1]" 1
121 1 3 DG H2' 1 3 DG H5'' 4.500 . 7.200 3.961 3.660 4.774 . 0 0 "[ . 1]" 1
122 1 3 DG H2' 1 3 DG H5' 4.500 . 7.200 4.398 4.107 5.265 . 0 0 "[ . 1]" 1
123 1 3 DG H3' 1 3 DG H8 3.800 3.000 4.600 3.802 2.951 4.005 0.049 4 0 "[ . 1]" 1
124 1 3 DG H1' 1 4 DG H3' 4.500 . 7.200 5.935 5.031 6.417 . 0 0 "[ . 1]" 1
125 1 3 DG H2'' 1 4 DG H8 3.290 2.630 3.950 2.855 2.628 3.180 0.002 9 0 "[ . 1]" 1
126 1 3 DG H2' 1 4 DG H8 2.700 . 3.600 2.890 2.018 3.263 . 0 0 "[ . 1]" 1
127 1 3 DG H2' 1 4 DG H3' 4.500 . 7.200 5.874 5.058 6.347 . 0 0 "[ . 1]" 1
128 1 3 DG H2'' 1 4 DG H3' 5.500 3.800 7.200 4.536 4.108 4.838 . 0 0 "[ . 1]" 1
129 1 3 DG H2'' 1 4 DG H2' 5.500 3.800 7.200 4.494 3.788 5.071 0.012 6 0 "[ . 1]" 1
130 1 3 DG H8 1 4 DG H8 3.890 3.110 4.670 3.924 3.568 4.314 . 0 0 "[ . 1]" 1
131 1 3 DG H8 1 4 DG H4' 6.000 4.200 7.800 7.526 7.311 7.808 0.008 6 0 "[ . 1]" 1
132 1 3 DG H1' 1 4 DG H4' 5.500 3.800 7.200 4.400 4.077 4.830 . 0 0 "[ . 1]" 1
133 1 3 DG H1' 1 4 DG H8 4.500 . 7.200 3.754 3.192 4.474 . 0 0 "[ . 1]" 1
134 1 3 DG H5'' 1 4 DG H8 5.500 3.800 7.200 6.785 6.353 7.202 0.002 7 0 "[ . 1]" 1
135 1 3 DG H5' 1 4 DG H8 5.500 3.800 7.200 6.994 6.798 7.235 0.035 4 0 "[ . 1]" 1
136 1 3 DG H8 1 4 DG H3' 6.000 4.200 7.800 7.808 7.575 7.849 0.049 10 0 "[ . 1]" 1
137 1 3 DG H3' 1 4 DG H8 4.500 . 7.200 4.952 3.908 5.357 . 0 0 "[ . 1]" 1
138 1 4 DG H1' 1 4 DG H3' 3.950 3.160 4.740 3.846 3.801 3.911 . 0 0 "[ . 1]" 1
139 1 4 DG H2'' 1 4 DG H8 3.800 3.000 4.600 4.371 3.987 4.609 0.009 8 0 "[ . 1]" 1
140 1 4 DG H2' 1 4 DG H8 4.500 . 7.200 2.905 2.391 3.363 . 0 0 "[ . 1]" 1
141 1 4 DG H1' 1 4 DG H2' 3.130 2.500 3.760 3.013 2.980 3.026 . 0 0 "[ . 1]" 1
142 1 4 DG H1' 1 4 DG H2'' 4.500 . 7.200 2.502 2.169 2.602 . 0 0 "[ . 1]" 1
143 1 4 DG H2' 1 4 DG H3' 2.850 2.280 3.420 2.301 2.278 2.332 0.002 8 0 "[ . 1]" 1
144 1 4 DG H4' 1 4 DG H8 5.500 3.800 7.200 4.786 4.621 4.975 . 0 0 "[ . 1]" 1
145 1 4 DG H1' 1 4 DG H4' 3.350 2.680 4.020 2.838 2.686 2.990 . 0 0 "[ . 1]" 1
146 1 4 DG H3' 1 4 DG H4' 2.700 . 3.600 2.917 2.854 2.978 . 0 0 "[ . 1]" 1
147 1 4 DG H2' 1 4 DG H2'' 2.700 . 3.600 1.791 1.790 1.793 0.010 8 0 "[ . 1]" 1
148 1 4 DG H1' 1 4 DG H8 4.500 . 7.200 3.875 3.805 3.913 . 0 0 "[ . 1]" 1
149 1 4 DG H5' 1 4 DG H8 4.500 . 7.200 4.983 4.564 5.187 . 0 0 "[ . 1]" 1
150 1 4 DG H1' 1 4 DG H5' 4.500 . 7.200 4.777 4.454 4.898 . 0 0 "[ . 1]" 1
151 1 4 DG H3' 1 4 DG H5' 4.500 . 7.200 2.926 2.555 3.647 . 0 0 "[ . 1]" 1
152 1 4 DG H4' 1 4 DG H5' 4.500 . 7.200 2.456 2.400 2.480 . 0 0 "[ . 1]" 1
153 1 4 DG H2'' 1 4 DG H5' 4.500 . 7.200 4.961 4.735 5.302 . 0 0 "[ . 1]" 1
154 1 4 DG H3' 1 4 DG H8 3.800 3.000 4.600 4.352 4.156 4.581 . 0 0 "[ . 1]" 1
155 1 4 DG H1' 1 5 DG H1' 5.500 3.800 7.200 5.635 5.047 6.018 . 0 0 "[ . 1]" 1
156 1 4 DG H3' 1 5 DG H1' 6.000 4.200 7.800 7.727 7.504 7.817 0.017 4 0 "[ . 1]" 1
157 1 4 DG H2'' 1 5 DG H8 2.880 2.300 3.460 2.273 2.255 2.291 0.045 6 0 "[ . 1]" 1
158 1 4 DG H2' 1 5 DG H8 4.500 . 7.200 2.954 2.386 3.564 . 0 0 "[ . 1]" 1
159 1 4 DG H2'' 1 5 DG H1' 6.000 4.800 7.200 5.205 4.771 5.680 0.029 5 0 "[ . 1]" 1
160 1 4 DG H4' 1 5 DG H8 5.500 3.800 7.200 5.762 5.548 5.895 . 0 0 "[ . 1]" 1
161 1 4 DG H1' 1 5 DG H4' 5.270 4.220 6.320 4.887 4.522 5.222 . 0 0 "[ . 1]" 1
162 1 4 DG H1' 1 5 DG H8 3.590 2.510 4.670 3.921 3.318 4.310 . 0 0 "[ . 1]" 1
163 1 4 DG H3' 1 5 DG H8 3.800 3.000 4.600 4.477 4.078 4.669 0.069 6 0 "[ . 1]" 1
164 1 5 DG H1' 1 5 DG H3' 3.800 3.000 4.600 3.812 3.788 3.830 . 0 0 "[ . 1]" 1
165 1 5 DG H2'' 1 5 DG H8 3.230 2.260 4.200 4.070 3.990 4.200 0.000 4 0 "[ . 1]" 1
166 1 5 DG H2' 1 5 DG H8 4.500 . 7.200 2.650 2.540 2.869 . 0 0 "[ . 1]" 1
167 1 5 DG H1' 1 5 DG H2'' 2.700 . 3.600 2.405 2.371 2.414 . 0 0 "[ . 1]" 1
168 1 5 DG H1' 1 5 DG H2' 3.800 3.000 4.600 3.027 3.024 3.029 . 0 0 "[ . 1]" 1
169 1 5 DG H2' 1 5 DG H3' 2.700 . 3.600 2.350 2.336 2.367 . 0 0 "[ . 1]" 1
170 1 5 DG H1' 1 5 DG H8 4.110 3.290 4.930 3.910 3.890 3.919 . 0 0 "[ . 1]" 1
171 1 5 DG H4' 1 5 DG H8 5.390 4.310 6.470 4.808 4.708 4.841 . 0 0 "[ . 1]" 1
172 1 5 DG H1' 1 5 DG H4' 3.800 3.000 4.600 3.102 2.993 3.254 0.007 2 0 "[ . 1]" 1
173 1 5 DG H3' 1 5 DG H4' 2.700 . 3.600 2.819 2.775 2.854 . 0 0 "[ . 1]" 1
174 1 5 DG H5'' 1 5 DG H8 4.030 2.820 5.240 4.859 4.625 5.044 . 0 0 "[ . 1]" 1
175 1 5 DG H5' 1 5 DG H8 4.640 3.710 5.570 4.214 4.062 4.301 . 0 0 "[ . 1]" 1
176 1 5 DG H1' 1 5 DG H5'' 4.500 . 7.200 4.934 4.904 4.969 . 0 0 "[ . 1]" 1
177 1 5 DG H1' 1 5 DG H5' 4.500 . 7.200 4.649 4.596 4.700 . 0 0 "[ . 1]" 1
178 1 5 DG H3' 1 5 DG H5'' 4.500 . 7.200 2.485 2.387 2.556 . 0 0 "[ . 1]" 1
179 1 5 DG H3' 1 5 DG H5' 4.500 . 7.200 3.642 3.634 3.651 . 0 0 "[ . 1]" 1
180 1 5 DG H3' 1 5 DG H8 4.060 3.250 4.870 4.492 4.410 4.668 . 0 0 "[ . 1]" 1
181 1 5 DG H8 1 26 DT H1' 5.500 3.800 7.200 6.696 5.176 7.211 0.011 1 0 "[ . 1]" 1
182 1 6 DT H3' 1 6 DT H6 4.500 . 7.200 4.983 4.787 5.128 . 0 0 "[ . 1]" 1
183 1 6 DT C7 1 6 DT H6 2.700 . 4.100 2.659 2.659 2.660 . 0 0 "[ . 1]" 1
184 1 6 DT H1' 1 6 DT H3' 3.800 3.000 4.600 3.836 3.804 3.933 . 0 0 "[ . 1]" 1
185 1 6 DT H2' 1 6 DT H6 3.800 3.000 4.600 3.687 3.400 3.869 . 0 0 "[ . 1]" 1
186 1 6 DT H2'' 1 6 DT H6 3.800 3.000 4.600 4.519 4.332 4.604 0.004 5 0 "[ . 1]" 1
187 1 6 DT H1' 1 6 DT H2' 2.700 . 3.600 3.020 2.991 3.027 . 0 0 "[ . 1]" 1
188 1 6 DT H1' 1 6 DT H2'' 2.700 . 3.600 2.244 2.189 2.352 . 0 0 "[ . 1]" 1
189 1 6 DT H2' 1 6 DT H3' 2.700 . 3.600 2.363 2.323 2.373 . 0 0 "[ . 1]" 1
190 1 6 DT H2'' 1 6 DT H3' 2.700 . 3.600 2.890 2.810 2.952 . 0 0 "[ . 1]" 1
191 1 6 DT H1' 1 6 DT H4' 2.700 . 3.600 3.284 2.904 3.655 0.055 4 0 "[ . 1]" 1
192 1 6 DT H4' 1 6 DT H6 3.800 3.000 4.600 4.070 3.798 4.183 . 0 0 "[ . 1]" 1
193 1 6 DT H1' 1 6 DT H6 3.800 3.000 4.600 3.419 3.334 3.533 . 0 0 "[ . 1]" 1
194 1 6 DT H4' 1 7 DG H8 5.500 3.800 7.200 5.676 4.110 6.370 . 0 0 "[ . 1]" 1
195 1 6 DT H1' 1 7 DG H4' 5.500 3.800 7.200 5.920 4.992 7.200 . 0 0 "[ . 1]" 1
196 1 6 DT H4' 1 8 DG H8 5.500 3.800 7.200 5.957 4.958 7.107 . 0 0 "[ . 1]" 1
197 1 7 DG H1' 1 7 DG H3' 3.800 3.000 4.600 3.857 3.836 3.873 . 0 0 "[ . 1]" 1
198 1 7 DG H2'' 1 7 DG H8 4.500 . 7.200 4.590 4.500 4.736 . 0 0 "[ . 1]" 1
199 1 7 DG H2' 1 7 DG H8 4.500 . 7.200 3.734 3.596 3.876 . 0 0 "[ . 1]" 1
200 1 7 DG H1' 1 7 DG H2' 2.700 . 3.600 2.729 2.694 2.788 . 0 0 "[ . 1]" 1
201 1 7 DG H1' 1 7 DG H2'' 4.500 . 7.200 2.224 2.157 2.349 . 0 0 "[ . 1]" 1
202 1 7 DG H2'' 1 7 DG H3' 3.800 3.000 4.600 3.108 3.045 3.146 . 0 0 "[ . 1]" 1
203 1 7 DG H2' 1 7 DG H3' 2.700 . 3.600 2.342 2.333 2.350 . 0 0 "[ . 1]" 1
204 1 7 DG H2' 1 7 DG H2'' 2.700 . 3.600 1.793 1.790 1.794 0.010 4 0 "[ . 1]" 1
205 1 7 DG H4' 1 7 DG H8 3.800 3.000 4.600 4.121 3.950 4.359 . 0 0 "[ . 1]" 1
206 1 7 DG H1' 1 7 DG H4' 2.700 . 3.600 3.470 3.210 3.619 0.019 7 0 "[ . 1]" 1
207 1 7 DG H3' 1 7 DG H4' 2.700 . 3.600 3.015 2.993 3.031 . 0 0 "[ . 1]" 1
208 1 7 DG H1' 1 7 DG H8 4.500 . 7.200 3.845 3.800 3.883 . 0 0 "[ . 1]" 1
209 1 7 DG H5'' 1 7 DG H8 4.500 . 7.200 3.738 3.369 4.412 . 0 0 "[ . 1]" 1
210 1 7 DG H5' 1 7 DG H8 4.500 . 7.200 3.242 2.134 3.737 . 0 0 "[ . 1]" 1
211 1 7 DG H1' 1 7 DG H5' 4.500 . 7.200 4.670 4.557 4.702 . 0 0 "[ . 1]" 1
212 1 7 DG H1' 1 7 DG H5'' 4.500 . 7.200 5.185 4.714 5.263 . 0 0 "[ . 1]" 1
213 1 7 DG H3' 1 7 DG H5' 4.500 . 7.200 3.546 2.464 3.681 . 0 0 "[ . 1]" 1
214 1 7 DG H3' 1 7 DG H5'' 4.500 . 7.200 2.979 2.819 3.676 . 0 0 "[ . 1]" 1
215 1 7 DG H4' 1 7 DG H5' 4.500 . 7.200 2.540 2.461 3.040 . 0 0 "[ . 1]" 1
216 1 7 DG H4' 1 7 DG H5'' 4.500 . 7.200 2.434 2.411 2.463 . 0 0 "[ . 1]" 1
217 1 7 DG H3' 1 7 DG H8 4.500 . 7.200 2.695 2.450 3.050 . 0 0 "[ . 1]" 1
218 1 7 DG H2' 1 7 DG H4' 3.800 3.000 4.600 3.877 3.808 3.939 . 0 0 "[ . 1]" 1
219 1 7 DG H2'' 1 7 DG H4' 2.700 . 3.600 2.983 2.852 3.068 . 0 0 "[ . 1]" 1
220 1 7 DG H3' 1 8 DG H8 4.500 . 7.200 3.421 3.160 3.611 . 0 0 "[ . 1]" 1
221 1 7 DG H1' 1 8 DG H3' 6.000 4.200 7.800 7.269 6.662 7.823 0.023 7 0 "[ . 1]" 1
222 1 7 DG H2'' 1 8 DG H8 3.800 3.000 4.600 4.321 4.020 4.611 0.011 4 0 "[ . 1]" 1
223 1 7 DG H2' 1 8 DG H8 4.500 . 7.200 2.623 2.348 2.866 . 0 0 "[ . 1]" 1
224 1 7 DG H2'' 1 8 DG H1' 5.500 3.800 7.200 5.173 4.706 5.369 . 0 0 "[ . 1]" 1
225 1 7 DG H2'' 1 8 DG H3' 5.500 3.800 7.200 5.424 4.981 6.123 . 0 0 "[ . 1]" 1
226 1 7 DG H2' 1 8 DG H3' 5.500 3.800 7.200 4.839 4.127 5.469 . 0 0 "[ . 1]" 1
227 1 7 DG H2' 1 8 DG H2'' 5.500 3.800 7.200 5.367 5.078 5.879 . 0 0 "[ . 1]" 1
228 1 7 DG H1' 1 8 DG H8 4.500 . 7.200 5.141 4.870 5.346 . 0 0 "[ . 1]" 1
229 1 7 DG H4' 1 8 DG H8 5.500 3.800 7.200 6.062 5.831 6.264 . 0 0 "[ . 1]" 1
230 1 7 DG H2' 1 11 DG H4' 5.500 3.800 7.200 7.237 7.210 7.258 0.058 6 0 "[ . 1]" 1
231 1 7 DG H2'' 1 11 DG H4' 5.500 3.800 7.200 5.942 5.724 6.220 . 0 0 "[ . 1]" 1
232 1 7 DG H8 1 18 DT H6 5.500 3.800 7.200 7.162 6.638 7.283 0.083 3 0 "[ . 1]" 1
233 1 7 DG H8 1 18 DT C7 4.550 3.180 6.420 5.347 5.011 5.745 . 0 0 "[ . 1]" 1
234 1 7 DG H1' 1 18 DT H6 5.730 4.010 7.450 4.863 4.617 5.177 . 0 0 "[ . 1]" 1
235 1 7 DG H3' 1 18 DT C7 5.500 3.800 7.700 7.070 6.726 7.460 . 0 0 "[ . 1]" 1
236 1 7 DG H2'' 1 18 DT C7 5.500 3.800 7.700 6.326 5.743 6.930 . 0 0 "[ . 1]" 1
237 1 7 DG H1' 1 18 DT C7 3.710 2.600 5.320 4.132 3.587 4.780 . 0 0 "[ . 1]" 1
238 1 7 DG H4' 1 18 DT C7 5.630 3.940 7.820 6.830 6.495 7.268 . 0 0 "[ . 1]" 1
239 1 8 DG H3' 1 8 DG H8 4.500 . 7.200 4.073 3.043 4.445 . 0 0 "[ . 1]" 1
240 1 8 DG H1' 1 8 DG H3' 3.870 3.100 4.640 3.850 3.811 3.899 . 0 0 "[ . 1]" 1
241 1 8 DG H2'' 1 8 DG H8 4.500 . 7.200 3.972 3.633 4.563 . 0 0 "[ . 1]" 1
242 1 8 DG H2' 1 8 DG H8 4.500 . 7.200 2.625 2.366 3.347 . 0 0 "[ . 1]" 1
243 1 8 DG H1' 1 8 DG H2' 4.500 . 7.200 2.987 2.848 3.026 . 0 0 "[ . 1]" 1
244 1 8 DG H1' 1 8 DG H2'' 2.700 . 3.600 2.279 2.147 2.598 . 0 0 "[ . 1]" 1
245 1 8 DG H2'' 1 8 DG H3' 2.700 . 3.600 2.875 2.347 3.082 . 0 0 "[ . 1]" 1
246 1 8 DG H1' 1 8 DG H4' 3.560 2.850 4.270 3.114 2.972 3.437 . 0 0 "[ . 1]" 1
247 1 8 DG H3' 1 8 DG H4' 2.700 . 3.600 2.859 2.737 3.021 . 0 0 "[ . 1]" 1
248 1 8 DG H1' 1 8 DG H8 4.500 . 7.200 3.902 3.869 3.912 . 0 0 "[ . 1]" 1
249 1 8 DG H1' 1 9 DG H1' 5.500 3.800 7.200 5.391 5.090 5.778 . 0 0 "[ . 1]" 1
250 1 8 DG H8 1 9 DG H8 5.500 3.800 7.200 5.789 5.133 6.032 . 0 0 "[ . 1]" 1
251 1 8 DG H1' 1 9 DG H3' 5.500 3.800 7.200 7.069 6.650 7.246 0.046 6 0 "[ . 1]" 1
252 1 8 DG H2'' 1 9 DG H8 3.000 2.400 3.600 2.444 2.359 2.806 0.041 9 0 "[ . 1]" 1
253 1 8 DG H2'' 1 9 DG H1' 5.500 3.800 7.200 5.554 4.311 6.042 . 0 0 "[ . 1]" 1
254 1 8 DG H2'' 1 9 DG H2' 5.500 3.800 7.200 5.301 4.576 5.606 . 0 0 "[ . 1]" 1
255 1 8 DG H1' 1 9 DG H8 3.510 2.460 4.560 3.539 3.089 4.581 0.021 8 0 "[ . 1]" 1
256 1 8 DG H2' 1 9 DG H2' 5.500 3.800 7.200 6.678 4.684 7.236 0.036 5 0 "[ . 1]" 1
257 1 8 DG H4' 1 9 DG H8 5.500 3.800 7.200 5.434 4.918 6.197 . 0 0 "[ . 1]" 1
258 1 8 DG H3' 1 9 DG H8 4.380 3.500 5.260 4.539 3.760 5.184 . 0 0 "[ . 1]" 1
259 1 8 DG H1' 1 10 DT C7 5.490 3.840 7.640 4.301 4.159 4.531 . 0 0 "[ . 1]" 1
260 1 8 DG H3' 1 10 DT C7 5.500 3.800 7.700 7.743 7.713 7.783 0.083 1 0 "[ . 1]" 1
261 1 8 DG H4' 1 10 DT C7 5.530 3.870 7.690 6.177 5.660 6.987 . 0 0 "[ . 1]" 1
262 1 9 DG H1' 1 9 DG H3' 4.110 3.290 4.930 3.954 3.900 4.024 . 0 0 "[ . 1]" 1
263 1 9 DG H2'' 1 9 DG H8 3.800 3.000 4.600 4.439 4.182 4.602 0.002 2 0 "[ . 1]" 1
264 1 9 DG H2' 1 9 DG H8 4.500 . 7.200 3.070 2.703 3.402 . 0 0 "[ . 1]" 1
265 1 9 DG H1' 1 9 DG H2'' 2.750 2.200 3.300 2.346 2.216 2.385 . 0 0 "[ . 1]" 1
266 1 9 DG H1' 1 9 DG H2' 2.700 . 3.600 2.991 2.962 3.010 . 0 0 "[ . 1]" 1
267 1 9 DG H2'' 1 9 DG H3' 4.500 . 7.200 2.742 2.699 2.860 . 0 0 "[ . 1]" 1
268 1 9 DG H2' 1 9 DG H3' 4.500 . 7.200 2.344 2.315 2.365 . 0 0 "[ . 1]" 1
269 1 9 DG H1' 1 9 DG H8 4.150 3.320 4.980 3.855 3.826 3.886 . 0 0 "[ . 1]" 1
270 1 9 DG H1' 1 9 DG H4' 3.710 2.970 4.450 3.560 3.238 3.759 . 0 0 "[ . 1]" 1
271 1 9 DG H3' 1 9 DG H4' 2.700 . 3.600 2.724 2.686 2.821 . 0 0 "[ . 1]" 1
272 1 9 DG H2' 1 9 DG H4' 4.700 3.760 5.640 3.858 3.812 3.902 . 0 0 "[ . 1]" 1
273 1 9 DG H2' 1 9 DG H2'' 2.700 . 3.600 1.792 1.790 1.794 0.010 8 0 "[ . 1]" 1
274 1 9 DG H5' 1 9 DG H8 4.500 . 7.200 3.731 3.459 4.012 . 0 0 "[ . 1]" 1
275 1 9 DG H1' 1 9 DG H5' 4.500 . 7.200 4.963 4.734 5.092 . 0 0 "[ . 1]" 1
276 1 9 DG H3' 1 9 DG H5' 4.500 . 7.200 2.856 2.416 3.635 . 0 0 "[ . 1]" 1
277 1 9 DG H4' 1 9 DG H5' 4.500 . 7.200 2.420 2.367 2.506 . 0 0 "[ . 1]" 1
278 1 9 DG H2' 1 9 DG H5' 4.500 . 7.200 3.862 3.460 4.511 . 0 0 "[ . 1]" 1
279 1 9 DG H4' 1 9 DG H8 3.800 3.000 4.600 4.230 3.925 4.597 . 0 0 "[ . 1]" 1
280 1 9 DG H3' 1 9 DG H8 3.860 3.090 4.630 4.406 4.160 4.583 . 0 0 "[ . 1]" 1
281 1 9 DG H1' 1 10 DT H1' 5.500 3.800 7.200 7.013 6.452 7.244 0.044 3 0 "[ . 1]" 1
282 1 9 DG H3' 1 10 DT H1' 5.500 3.800 7.200 6.773 6.252 7.202 0.002 2 0 "[ . 1]" 1
283 1 9 DG H2'' 1 10 DT H6 4.500 . 7.200 6.090 5.675 6.721 . 0 0 "[ . 1]" 1
284 1 9 DG H1' 1 10 DT H6 5.340 3.740 6.940 4.348 3.753 5.076 . 0 0 "[ . 1]" 1
285 1 9 DG H1' 1 10 DT H4' 6.000 4.200 7.800 6.902 6.464 7.131 . 0 0 "[ . 1]" 1
286 1 9 DG H8 1 10 DT H4' 5.500 3.800 7.200 6.972 6.447 7.221 0.021 4 0 "[ . 1]" 1
287 1 9 DG H4' 1 10 DT H1' 5.500 3.800 7.200 4.372 3.845 4.546 . 0 0 "[ . 1]" 1
288 1 9 DG H1' 1 10 DT H5' 5.500 3.800 7.200 6.633 6.320 6.975 . 0 0 "[ . 1]" 1
289 1 9 DG H1' 1 10 DT H5'' 5.830 4.080 7.580 5.591 5.029 6.126 . 0 0 "[ . 1]" 1
290 1 9 DG H4' 1 10 DT H6 4.580 3.200 5.960 3.356 3.143 3.772 0.057 8 0 "[ . 1]" 1
291 1 9 DG H5'' 1 10 DT H6 5.500 3.800 7.200 5.533 5.004 5.915 . 0 0 "[ . 1]" 1
292 1 9 DG H5' 1 10 DT H6 5.500 3.800 7.200 5.122 3.784 6.070 0.016 3 0 "[ . 1]" 1
293 1 9 DG H4' 1 10 DT H5' 5.370 3.760 6.980 3.766 3.655 3.962 0.105 4 0 "[ . 1]" 1
294 1 9 DG H4' 1 10 DT H5'' 4.750 3.320 6.180 3.283 3.270 3.306 0.050 4 0 "[ . 1]" 1
295 1 9 DG H8 1 10 DT H5' 6.000 4.200 7.800 7.846 7.792 7.905 0.105 4 0 "[ . 1]" 1
296 1 9 DG H8 1 10 DT H5'' 6.000 4.200 7.800 7.301 6.815 7.805 0.005 3 0 "[ . 1]" 1
297 1 9 DG H4' 1 10 DT H4' 4.500 . 7.200 3.525 2.951 3.769 . 0 0 "[ . 1]" 1
298 1 9 DG H3' 1 10 DT H6 4.770 3.340 6.200 5.856 5.574 6.064 . 0 0 "[ . 1]" 1
299 1 9 DG H8 1 10 DT H6 5.240 3.670 6.810 5.777 5.020 6.676 . 0 0 "[ . 1]" 1
300 1 10 DT C7 1 10 DT H6 2.700 . 4.100 2.658 2.654 2.659 . 0 0 "[ . 1]" 1
301 1 10 DT H1' 1 10 DT H3' 4.520 3.160 5.880 3.795 3.745 3.821 . 0 0 "[ . 1]" 1
302 1 10 DT H2' 1 10 DT H6 2.870 2.010 3.730 2.397 2.248 2.754 . 0 0 "[ . 1]" 1
303 1 10 DT H2'' 1 10 DT H6 3.370 2.360 4.380 3.833 3.499 4.267 . 0 0 "[ . 1]" 1
304 1 10 DT H1' 1 10 DT H2' 3.450 2.420 4.480 3.029 3.025 3.032 . 0 0 "[ . 1]" 1
305 1 10 DT H1' 1 10 DT H2'' 2.960 2.070 3.850 2.428 2.145 2.635 . 0 0 "[ . 1]" 1
306 1 10 DT H1' 1 10 DT H6 3.580 2.510 4.650 3.717 3.674 3.738 . 0 0 "[ . 1]" 1
307 1 10 DT H1' 1 10 DT H4' 3.360 2.350 4.370 2.977 2.841 3.140 . 0 0 "[ . 1]" 1
308 1 10 DT H4' 1 10 DT H6 5.010 3.510 6.510 4.543 4.377 4.591 . 0 0 "[ . 1]" 1
309 1 10 DT H3' 1 10 DT H4' 2.700 . 3.600 2.851 2.783 2.890 . 0 0 "[ . 1]" 1
310 1 10 DT C7 1 10 DT H1' 5.980 4.190 8.270 5.809 5.765 5.825 . 0 0 "[ . 1]" 1
311 1 10 DT H2' 1 10 DT H3' 2.700 . 3.600 2.342 2.322 2.386 . 0 0 "[ . 1]" 1
312 1 10 DT H2'' 1 10 DT H3' 2.700 . 3.600 2.678 2.378 3.019 . 0 0 "[ . 1]" 1
313 1 10 DT H2' 1 10 DT H2'' 2.700 . 3.600 1.794 1.793 1.796 0.007 1 0 "[ . 1]" 1
314 1 10 DT C7 1 10 DT H2'' 5.500 3.800 7.700 6.049 5.643 6.522 . 0 0 "[ . 1]" 1
315 1 10 DT H5' 1 10 DT H6 4.570 3.200 5.940 4.793 4.655 5.012 . 0 0 "[ . 1]" 1
316 1 10 DT H5'' 1 10 DT H6 4.460 3.120 5.800 3.274 3.106 3.642 0.014 6 0 "[ . 1]" 1
317 1 10 DT H1' 1 10 DT H5' 4.500 . 7.200 4.899 4.839 4.943 . 0 0 "[ . 1]" 1
318 1 10 DT H1' 1 10 DT H5'' 4.500 . 7.200 4.501 4.431 4.582 . 0 0 "[ . 1]" 1
319 1 10 DT H2'' 1 10 DT H5' 6.000 4.200 7.800 4.962 4.692 5.241 . 0 0 "[ . 1]" 1
320 1 10 DT H2'' 1 10 DT H5'' 5.040 3.530 6.550 4.283 4.175 4.521 . 0 0 "[ . 1]" 1
321 1 10 DT C7 1 10 DT H5' 6.000 4.200 8.300 7.268 7.140 7.495 . 0 0 "[ . 1]" 1
322 1 10 DT C7 1 10 DT H5'' 6.000 4.200 8.300 5.691 5.497 6.088 . 0 0 "[ . 1]" 1
323 1 10 DT H3' 1 10 DT H6 3.940 2.760 5.120 4.161 4.018 4.287 . 0 0 "[ . 1]" 1
324 1 10 DT H3' 1 11 DG H8 5.500 3.800 7.200 4.974 3.788 6.296 0.012 6 0 "[ . 1]" 1
325 1 10 DT H6 1 11 DG H8 5.500 3.800 7.200 4.271 3.790 6.824 0.010 2 0 "[ . 1]" 1
326 1 10 DT H2' 1 11 DG H8 4.500 . 7.200 3.237 2.306 4.602 . 0 0 "[ . 1]" 1
327 1 10 DT H2'' 1 11 DG H8 4.500 . 7.200 3.227 2.662 4.096 . 0 0 "[ . 1]" 1
328 1 10 DT H6 1 11 DG H4' 5.500 3.800 7.200 6.681 6.108 7.199 . 0 0 "[ . 1]" 1
329 1 10 DT H4' 1 11 DG H8 5.500 3.800 7.200 6.454 5.205 7.031 . 0 0 "[ . 1]" 1
330 1 10 DT H6 1 12 DT C7 5.500 3.800 7.700 7.063 5.097 7.705 0.005 2 0 "[ . 1]" 1
331 1 10 DT C7 1 19 DG H8 5.500 3.800 8.700 3.817 3.763 4.157 0.037 7 0 "[ . 1]" 1
332 1 10 DT C7 1 19 DG H3' 5.500 3.800 7.700 5.421 4.759 5.907 . 0 0 "[ . 1]" 1
333 1 10 DT C7 1 19 DG H2'' 5.760 4.030 7.990 5.232 4.765 6.113 . 0 0 "[ . 1]" 1
334 1 10 DT C7 1 19 DG H2' 5.500 3.800 7.700 3.960 3.762 4.355 0.038 5 0 "[ . 1]" 1
335 1 10 DT H6 1 19 DG H5'' 6.000 4.200 7.800 7.293 6.961 7.815 0.015 6 0 "[ . 1]" 1
336 1 10 DT C7 1 20 DG H8 5.460 3.820 7.600 5.353 4.963 5.924 . 0 0 "[ . 1]" 1
337 1 11 DG H3' 1 11 DG H8 4.500 . 7.200 5.275 2.475 6.122 . 0 0 "[ . 1]" 1
338 1 11 DG H1' 1 11 DG H3' 4.460 3.120 5.800 3.897 3.771 4.103 . 0 0 "[ . 1]" 1
339 1 11 DG H2' 1 11 DG H8 4.500 . 7.200 4.506 3.639 4.723 . 0 0 "[ . 1]" 1
340 1 11 DG H2'' 1 11 DG H8 4.500 . 7.200 4.780 4.465 5.129 . 0 0 "[ . 1]" 1
341 1 11 DG H1' 1 11 DG H2' 3.210 2.250 4.170 2.810 2.683 3.032 . 0 0 "[ . 1]" 1
342 1 11 DG H1' 1 11 DG H2'' 2.980 2.090 3.870 2.253 2.089 2.638 0.001 6 0 "[ . 1]" 1
343 1 11 DG H2' 1 11 DG H3' 3.080 2.160 4.000 2.317 2.291 2.345 . 0 0 "[ . 1]" 1
344 1 11 DG H2'' 1 11 DG H3' 2.700 . 3.600 2.962 2.248 3.143 . 0 0 "[ . 1]" 1
345 1 11 DG H1' 1 11 DG H8 4.500 . 7.200 2.910 2.749 3.861 . 0 0 "[ . 1]" 1
346 1 11 DG H1' 1 11 DG H4' 3.820 2.670 4.970 3.510 2.873 3.876 . 0 0 "[ . 1]" 1
347 1 11 DG H3' 1 11 DG H4' 2.700 . 3.600 2.912 2.782 3.005 . 0 0 "[ . 1]" 1
348 1 11 DG H2' 1 11 DG H2'' 2.700 . 3.600 1.790 1.782 1.794 0.018 6 0 "[ . 1]" 1
349 1 11 DG H8 1 12 DT H6 5.500 3.800 7.200 5.585 4.442 6.652 . 0 0 "[ . 1]" 1
350 1 11 DG H2'' 1 12 DT H6 3.630 2.540 4.720 3.328 2.660 4.136 . 0 0 "[ . 1]" 1
351 1 11 DG H2' 1 12 DT H6 4.130 2.890 5.370 4.341 2.825 5.429 0.065 9 0 "[ . 1]" 1
352 1 11 DG H1' 1 12 DT H6 4.720 3.300 6.140 3.457 3.226 4.154 0.074 10 0 "[ . 1]" 1
353 1 11 DG H1' 1 12 DT C7 2.700 . 4.100 2.977 2.483 4.126 0.026 9 0 "[ . 1]" 1
354 1 11 DG H3' 1 12 DT C7 4.450 3.120 6.280 6.271 6.116 6.348 0.068 10 0 "[ . 1]" 1
355 1 11 DG H4' 1 12 DT C7 5.710 4.000 7.920 5.862 4.525 7.424 . 0 0 "[ . 1]" 1
356 1 11 DG H2' 1 12 DT C7 4.030 2.820 5.740 4.861 4.097 5.650 . 0 0 "[ . 1]" 1
357 1 11 DG H2'' 1 12 DT C7 3.900 2.730 5.570 4.170 3.486 5.268 . 0 0 "[ . 1]" 1
358 1 11 DG H3' 1 12 DT H6 5.000 3.500 6.500 5.702 5.061 6.515 0.015 4 0 "[ . 1]" 1
359 1 11 DG H8 1 12 DT C7 4.390 3.070 6.210 4.075 3.054 6.221 0.016 10 0 "[ . 1]" 1
360 1 11 DG H4' 1 12 DT H6 5.500 3.800 7.200 5.608 3.798 6.918 0.002 1 0 "[ . 1]" 1
361 1 11 DG H2' 1 13 DA H8 5.500 3.800 7.200 6.444 4.394 7.216 0.016 3 0 "[ . 1]" 1
362 1 11 DG H1' 1 13 DA H8 5.770 4.040 7.500 7.229 5.023 7.574 0.074 9 0 "[ . 1]" 1
363 1 11 DG H1' 1 13 DA H2 5.500 3.800 7.200 6.401 4.146 7.242 0.042 10 0 "[ . 1]" 1
364 1 12 DT C7 1 12 DT H6 2.700 . 4.100 2.659 2.653 2.665 . 0 0 "[ . 1]" 1
365 1 12 DT H1' 1 12 DT H3' 4.480 3.140 5.820 3.870 3.724 3.955 . 0 0 "[ . 1]" 1
366 1 12 DT H2'' 1 12 DT H6 3.480 2.440 4.520 3.824 3.474 4.643 0.123 6 0 "[ . 1]" 1
367 1 12 DT H2' 1 12 DT H6 4.500 . 7.200 2.704 1.778 4.348 0.022 10 0 "[ . 1]" 1
368 1 12 DT H1' 1 12 DT H6 3.880 2.720 5.040 3.424 2.822 3.727 . 0 0 "[ . 1]" 1
369 1 12 DT H1' 1 12 DT H2'' 4.500 . 7.200 2.208 1.851 2.468 . 0 0 "[ . 1]" 1
370 1 12 DT H1' 1 12 DT H2' 2.700 . 3.600 2.885 2.671 3.027 . 0 0 "[ . 1]" 1
371 1 12 DT H2'' 1 12 DT H3' 3.800 3.000 4.600 3.025 2.964 3.178 0.036 2 0 "[ . 1]" 1
372 1 12 DT H1' 1 12 DT H4' 3.800 3.000 4.600 3.438 2.953 3.931 0.047 9 0 "[ . 1]" 1
373 1 12 DT H4' 1 12 DT H6 4.280 3.000 5.560 4.521 3.669 5.513 . 0 0 "[ . 1]" 1
374 1 12 DT H3' 1 12 DT H4' 2.700 . 3.600 2.860 2.739 2.969 . 0 0 "[ . 1]" 1
375 1 12 DT H2' 1 12 DT H2'' 2.700 . 3.600 1.792 1.787 1.796 0.013 9 0 "[ . 1]" 1
376 1 12 DT H5' 1 12 DT H6 4.500 . 7.200 3.598 2.041 4.974 . 0 0 "[ . 1]" 1
377 1 12 DT H5'' 1 12 DT H6 4.500 . 7.200 4.289 2.105 6.109 . 0 0 "[ . 1]" 1
378 1 12 DT H1' 1 12 DT H5' 4.500 . 7.200 4.462 3.955 5.211 . 0 0 "[ . 1]" 1
379 1 12 DT H1' 1 12 DT H5'' 4.500 . 7.200 4.673 4.262 5.001 . 0 0 "[ . 1]" 1
380 1 12 DT H3' 1 12 DT H5' 4.500 . 7.200 2.916 2.369 3.649 . 0 0 "[ . 1]" 1
381 1 12 DT H3' 1 12 DT H5'' 4.500 . 7.200 3.124 2.373 3.674 . 0 0 "[ . 1]" 1
382 1 12 DT H2' 1 12 DT H5' 4.500 . 7.200 3.857 2.575 4.810 . 0 0 "[ . 1]" 1
383 1 12 DT H2'' 1 12 DT H5' 5.110 3.580 6.640 4.712 4.082 5.187 . 0 0 "[ . 1]" 1
384 1 12 DT H2' 1 12 DT H5'' 4.500 . 7.200 4.322 3.261 5.191 . 0 0 "[ . 1]" 1
385 1 12 DT H2' 1 12 DT H4' 3.800 3.000 4.600 3.922 3.807 4.086 . 0 0 "[ . 1]" 1
386 1 12 DT H2'' 1 12 DT H5'' 4.500 . 7.200 5.003 4.556 5.251 . 0 0 "[ . 1]" 1
387 1 12 DT H2'' 1 12 DT H4' 3.800 3.000 4.600 3.712 3.184 4.123 . 0 0 "[ . 1]" 1
388 1 12 DT H2' 1 12 DT H3' 3.080 2.160 4.000 2.333 2.309 2.363 . 0 0 "[ . 1]" 1
389 1 12 DT H3' 1 12 DT H6 3.790 2.650 4.930 3.995 2.974 4.974 0.044 9 0 "[ . 1]" 1
390 1 12 DT H6 1 13 DA H2 5.500 3.800 7.200 4.736 3.833 6.768 . 0 0 "[ . 1]" 1
391 1 12 DT H2' 1 13 DA H8 4.420 3.090 5.750 4.802 3.876 5.856 0.106 9 0 "[ . 1]" 1
392 1 12 DT H2'' 1 13 DA H8 4.000 2.800 5.200 4.737 2.793 5.250 0.050 6 0 "[ . 1]" 1
393 1 12 DT C7 1 13 DA H2 5.710 4.000 7.920 5.538 3.990 6.945 0.010 3 0 "[ . 1]" 1
394 1 12 DT H6 1 13 DA H8 5.830 4.080 7.580 5.702 4.587 7.214 . 0 0 "[ . 1]" 1
395 1 12 DT H1' 1 13 DA H2 4.990 3.490 6.490 5.396 3.416 6.598 0.108 8 0 "[ . 1]" 1
396 1 12 DT H2'' 1 13 DA H2'' 5.500 3.800 7.200 5.622 4.570 6.388 . 0 0 "[ . 1]" 1
397 1 12 DT H4' 1 13 DA H2 6.000 4.200 7.800 6.719 4.639 7.822 0.022 3 0 "[ . 1]" 1
398 1 12 DT H3' 1 13 DA H8 5.500 3.800 7.200 4.869 3.731 7.240 0.069 6 0 "[ . 1]" 1
399 1 12 DT H5' 1 13 DA H2 5.500 3.800 7.200 6.332 3.725 7.408 0.208 9 0 "[ . 1]" 1
400 1 12 DT H2'' 1 13 DA H2 5.500 3.800 7.200 5.353 3.789 7.295 0.095 5 0 "[ . 1]" 1
401 1 12 DT H3' 1 13 DA H2 6.000 4.200 7.800 6.148 4.661 7.089 . 0 0 "[ . 1]" 1
402 1 12 DT H2'' 1 13 DA H4' 4.780 3.350 6.210 4.469 3.719 6.058 . 0 0 "[ . 1]" 1
403 1 12 DT H5' 1 13 DA H8 5.500 3.800 7.200 5.997 4.366 7.240 0.040 8 0 "[ . 1]" 1
404 1 12 DT C7 1 19 DG H5'' 5.740 4.020 7.960 6.525 5.108 7.994 0.034 10 0 "[ . 1]" 1
405 1 13 DA H1' 1 13 DA H3' 3.800 3.000 4.600 3.829 3.754 3.881 . 0 0 "[ . 1]" 1
406 1 13 DA H2' 1 13 DA H8 4.500 . 7.200 2.587 2.055 4.544 . 0 0 "[ . 1]" 1
407 1 13 DA H2'' 1 13 DA H8 3.800 3.000 4.600 3.379 2.973 4.609 0.027 3 0 "[ . 1]" 1
408 1 13 DA H1' 1 13 DA H2' 3.800 3.000 4.600 3.023 3.013 3.031 . 0 0 "[ . 1]" 1
409 1 13 DA H1' 1 13 DA H2'' 2.700 . 3.600 2.347 2.177 2.595 . 0 0 "[ . 1]" 1
410 1 13 DA H4' 1 13 DA H8 5.340 3.740 6.940 5.288 4.645 5.512 . 0 0 "[ . 1]" 1
411 1 13 DA H1' 1 13 DA H4' 3.610 2.530 4.690 2.971 2.796 3.459 . 0 0 "[ . 1]" 1
412 1 13 DA H1' 1 13 DA H8 3.300 2.310 4.290 3.573 2.583 3.872 . 0 0 "[ . 1]" 1
413 1 13 DA H3' 1 13 DA H4' 2.700 . 3.600 2.867 2.736 2.934 . 0 0 "[ . 1]" 1
414 1 13 DA H3' 1 13 DA H8 5.500 3.800 7.200 4.699 4.236 6.087 . 0 0 "[ . 1]" 1
415 1 13 DA H5'' 1 13 DA H8 4.670 3.270 6.070 5.617 4.514 6.162 0.092 8 0 "[ . 1]" 1
416 1 13 DA H5' 1 13 DA H8 4.500 . 7.200 5.871 4.435 7.049 . 0 0 "[ . 1]" 1
417 1 13 DA H3' 1 13 DA H5' 4.500 . 7.200 3.320 2.432 3.645 . 0 0 "[ . 1]" 1
418 1 13 DA H3' 1 13 DA H5'' 4.500 . 7.200 2.480 2.394 2.642 . 0 0 "[ . 1]" 1
419 1 13 DA H4' 1 13 DA H5' 2.860 . 3.720 2.421 2.379 2.553 . 0 0 "[ . 1]" 1
420 1 13 DA H4' 1 13 DA H5'' 4.500 . 7.200 2.667 2.481 3.037 . 0 0 "[ . 1]" 1
421 1 13 DA H2' 1 13 DA H5'' 4.500 . 7.200 3.819 2.719 4.339 . 0 0 "[ . 1]" 1
422 1 13 DA H2' 1 13 DA H5' 4.500 . 7.200 4.405 3.970 4.799 . 0 0 "[ . 1]" 1
423 1 13 DA H2'' 1 13 DA H5' 4.500 . 7.200 5.242 4.991 5.431 . 0 0 "[ . 1]" 1
424 1 13 DA H2'' 1 13 DA H5'' 4.500 . 7.200 4.744 4.217 4.969 . 0 0 "[ . 1]" 1
425 1 13 DA H2 1 13 DA H5' 6.000 4.200 7.800 7.162 6.088 7.831 0.031 9 0 "[ . 1]" 1
426 1 13 DA H2 1 14 DA H2 4.500 . 7.200 6.396 3.944 7.222 0.022 9 0 "[ . 1]" 1
427 1 13 DA H3' 1 14 DA H8 4.500 . 7.200 5.252 2.774 7.224 0.024 5 0 "[ . 1]" 1
428 1 13 DA H1' 1 14 DA H4' 4.500 . 7.200 6.232 4.451 7.239 0.039 9 0 "[ . 1]" 1
429 1 13 DA H2 1 16 DT C7 5.500 3.800 7.700 5.331 3.788 7.191 0.012 9 0 "[ . 1]" 1
430 1 14 DA H1' 1 14 DA H3' 4.110 2.880 5.340 3.896 3.796 4.084 . 0 0 "[ . 1]" 1
431 1 14 DA H2' 1 14 DA H8 2.700 . 3.600 2.558 1.928 3.962 0.362 10 0 "[ . 1]" 1
432 1 14 DA H2'' 1 14 DA H8 4.500 . 7.200 3.774 3.077 4.446 . 0 0 "[ . 1]" 1
433 1 14 DA H1' 1 14 DA H2' 2.700 . 3.600 2.899 2.632 3.030 . 0 0 "[ . 1]" 1
434 1 14 DA H1' 1 14 DA H2'' 2.700 . 3.600 2.380 2.171 2.635 . 0 0 "[ . 1]" 1
435 1 14 DA H2' 1 14 DA H3' 2.880 2.010 3.750 2.351 2.325 2.379 . 0 0 "[ . 1]" 1
436 1 14 DA H2'' 1 14 DA H3' 2.700 . 3.600 2.763 2.297 3.136 . 0 0 "[ . 1]" 1
437 1 14 DA H1' 1 14 DA H2 5.010 3.510 6.510 5.037 4.458 6.110 . 0 0 "[ . 1]" 1
438 1 14 DA H1' 1 14 DA H4' 3.360 2.350 4.370 3.540 3.065 3.878 . 0 0 "[ . 1]" 1
439 1 14 DA H4' 1 14 DA H8 5.500 3.850 7.150 5.175 4.539 5.757 . 0 0 "[ . 1]" 1
440 1 14 DA H3' 1 14 DA H4' 2.700 . 3.600 2.809 2.683 3.030 . 0 0 "[ . 1]" 1
441 1 14 DA H1' 1 14 DA H8 4.500 . 7.200 3.460 2.501 3.908 . 0 0 "[ . 1]" 1
442 1 14 DA H5' 1 14 DA H8 4.500 . 7.200 4.306 2.125 7.047 . 0 0 "[ . 1]" 1
443 1 14 DA H1' 1 14 DA H5' 4.500 . 7.200 4.552 3.922 5.243 . 0 0 "[ . 1]" 1
444 1 14 DA H3' 1 14 DA H5' 4.500 . 7.200 3.201 2.772 3.695 . 0 0 "[ . 1]" 1
445 1 14 DA H4' 1 14 DA H5' 4.500 . 7.200 2.680 2.385 3.042 . 0 0 "[ . 1]" 1
446 1 14 DA H2' 1 14 DA H5' 4.500 . 7.200 3.743 2.448 5.297 . 0 0 "[ . 1]" 1
447 1 14 DA H2'' 1 14 DA H5' 4.500 . 7.200 4.582 3.839 5.296 . 0 0 "[ . 1]" 1
448 1 14 DA H3' 1 14 DA H8 5.500 3.800 7.200 4.373 3.777 5.064 0.023 2 0 "[ . 1]" 1
449 1 14 DA H2 1 14 DA H5' 6.000 4.200 7.800 6.458 4.170 7.822 0.030 4 0 "[ . 1]" 1
450 1 14 DA H3' 1 15 DG H8 4.870 3.410 6.330 5.214 3.881 6.402 0.072 7 0 "[ . 1]" 1
451 1 14 DA H2'' 1 15 DG H8 4.500 . 7.200 5.365 4.344 6.778 . 0 0 "[ . 1]" 1
452 1 14 DA H2 1 15 DG H1' 5.250 3.670 6.830 6.759 6.171 6.912 0.082 10 0 "[ . 1]" 1
453 1 14 DA H1' 1 15 DG H8 4.560 3.190 5.930 4.315 3.171 5.541 0.019 7 0 "[ . 1]" 1
454 1 14 DA H8 1 15 DG H8 4.050 2.830 5.270 4.979 3.787 5.303 0.033 3 0 "[ . 1]" 1
455 1 14 DA H1' 1 15 DG H3' 5.500 3.800 7.200 5.072 3.779 7.237 0.037 10 0 "[ . 1]" 1
456 1 14 DA H2 1 15 DG H3' 5.500 3.800 7.200 5.024 3.798 7.231 0.031 7 0 "[ . 1]" 1
457 1 14 DA H8 1 15 DG H5'' 5.500 3.800 7.200 6.719 5.527 7.236 0.036 5 0 "[ . 1]" 1
458 1 14 DA H8 1 16 DT C7 5.500 3.800 7.700 5.687 4.307 7.738 0.038 3 0 "[ . 1]" 1
459 1 14 DA H2 1 16 DT C7 5.500 3.800 7.700 5.223 3.784 7.710 0.016 8 0 "[ . 1]" 1
460 1 14 DA H1' 1 16 DT C7 5.500 3.800 7.700 6.309 5.449 7.750 0.050 10 0 "[ . 1]" 1
461 1 15 DG H3' 1 15 DG H8 3.990 2.790 5.190 4.475 3.845 5.203 0.013 4 0 "[ . 1]" 1
462 1 15 DG H1' 1 15 DG H3' 4.200 2.940 5.460 3.855 3.791 4.119 . 0 0 "[ . 1]" 1
463 1 15 DG H2' 1 15 DG H8 4.500 . 7.200 2.532 2.081 3.833 . 0 0 "[ . 1]" 1
464 1 15 DG H2'' 1 15 DG H8 4.500 . 7.200 3.406 2.409 4.459 . 0 0 "[ . 1]" 1
465 1 15 DG H1' 1 15 DG H2' 2.700 . 3.600 2.967 2.682 3.025 . 0 0 "[ . 1]" 1
466 1 15 DG H1' 1 15 DG H2'' 4.500 . 7.200 2.242 2.099 2.642 . 0 0 "[ . 1]" 1
467 1 15 DG H1' 1 15 DG H8 3.830 2.680 4.980 3.563 2.622 3.909 0.058 3 0 "[ . 1]" 1
468 1 15 DG H2'' 1 15 DG H3' 4.500 . 7.200 2.936 2.524 3.111 . 0 0 "[ . 1]" 1
469 1 15 DG H1' 1 15 DG H4' 3.640 2.550 4.730 3.205 2.622 3.917 . 0 0 "[ . 1]" 1
470 1 15 DG H4' 1 15 DG H8 4.970 3.480 6.460 5.363 4.876 5.866 . 0 0 "[ . 1]" 1
471 1 15 DG H3' 1 15 DG H4' 2.700 . 3.600 2.847 2.742 3.015 . 0 0 "[ . 1]" 1
472 1 15 DG H5' 1 15 DG H8 4.500 . 7.200 5.370 3.622 6.877 . 0 0 "[ . 1]" 1
473 1 15 DG H5'' 1 15 DG H8 4.790 3.350 6.230 4.716 3.346 6.237 0.007 6 0 "[ . 1]" 1
474 1 15 DG H1' 1 15 DG H5' 4.500 . 7.200 4.767 3.839 5.232 . 0 0 "[ . 1]" 1
475 1 15 DG H1' 1 15 DG H5'' 4.360 3.050 5.670 4.564 4.371 4.884 . 0 0 "[ . 1]" 1
476 1 15 DG H3' 1 15 DG H5' 4.500 . 7.200 2.865 2.599 3.595 . 0 0 "[ . 1]" 1
477 1 15 DG H3' 1 15 DG H5'' 4.500 . 7.200 2.692 2.232 3.656 . 0 0 "[ . 1]" 1
478 1 15 DG H4' 1 15 DG H5'' 4.500 . 7.200 2.828 2.376 3.039 . 0 0 "[ . 1]" 1
479 1 15 DG H4' 1 15 DG H5' 4.500 . 7.200 2.535 2.299 3.038 . 0 0 "[ . 1]" 1
480 1 15 DG H2' 1 15 DG H3' 4.500 . 7.200 2.334 2.283 2.364 . 0 0 "[ . 1]" 1
481 1 15 DG H1' 1 16 DT H1' 5.500 3.800 7.200 5.458 4.633 7.251 0.051 10 0 "[ . 1]" 1
482 1 15 DG H3' 1 16 DT H1' 5.500 3.800 7.200 6.964 5.580 7.225 0.025 2 0 "[ . 1]" 1
483 1 15 DG H1' 1 16 DT H3' 4.500 . 7.200 5.833 5.217 6.555 . 0 0 "[ . 1]" 1
484 1 15 DG H2'' 1 16 DT H6 3.800 3.000 4.600 3.411 2.972 4.607 0.028 9 0 "[ . 1]" 1
485 1 15 DG H2' 1 16 DT H6 3.800 3.000 4.600 3.641 3.143 4.399 . 0 0 "[ . 1]" 1
486 1 15 DG H8 1 16 DT C7 4.110 2.880 5.840 3.813 2.900 5.016 . 0 0 "[ . 1]" 1
487 1 15 DG H8 1 16 DT H2' 5.500 3.800 7.200 5.081 3.851 6.338 . 0 0 "[ . 1]" 1
488 1 15 DG H8 1 16 DT H2'' 5.500 3.800 7.200 5.903 4.354 7.201 0.001 8 0 "[ . 1]" 1
489 1 15 DG H1' 1 16 DT C7 4.900 3.430 6.870 6.020 3.945 6.880 0.010 7 0 "[ . 1]" 1
490 1 15 DG H1' 1 16 DT H2' 5.500 3.800 7.200 5.410 3.733 6.437 0.067 3 0 "[ . 1]" 1
491 1 15 DG H1' 1 16 DT H2'' 5.500 3.800 7.200 6.355 5.277 6.874 . 0 0 "[ . 1]" 1
492 1 15 DG H1' 1 16 DT H6 4.560 3.190 5.930 4.916 3.910 5.933 0.003 10 0 "[ . 1]" 1
493 1 15 DG H3' 1 16 DT C7 4.500 . 7.700 6.202 5.484 7.274 . 0 0 "[ . 1]" 1
494 1 15 DG H2'' 1 16 DT C7 5.500 3.800 7.700 4.887 4.600 5.196 . 0 0 "[ . 1]" 1
495 1 15 DG H2' 1 16 DT C7 5.500 3.800 7.700 4.437 3.970 5.219 . 0 0 "[ . 1]" 1
496 1 15 DG H4' 1 16 DT H6 5.550 3.890 7.210 7.003 6.653 7.217 0.007 1 0 "[ . 1]" 1
497 1 15 DG H8 1 16 DT H5' 6.000 4.200 7.800 5.955 4.190 7.224 0.010 4 0 "[ . 1]" 1
498 1 15 DG H1' 1 16 DT H5' 4.500 . 7.200 4.075 2.235 5.654 . 0 0 "[ . 1]" 1
499 1 15 DG H1' 1 16 DT H5'' 4.500 . 7.200 4.702 3.859 5.830 . 0 0 "[ . 1]" 1
500 1 15 DG H3' 1 16 DT H6 5.040 3.530 6.550 5.267 4.549 5.912 . 0 0 "[ . 1]" 1
501 1 15 DG H8 1 16 DT H6 4.970 3.480 6.460 3.804 3.452 4.439 0.028 3 0 "[ . 1]" 1
502 1 15 DG H8 1 17 DG H8 5.500 3.800 7.200 6.662 4.984 7.234 0.034 3 0 "[ . 1]" 1
503 1 16 DT C7 1 16 DT H6 3.020 2.110 4.430 2.652 2.633 2.659 . 0 0 "[ . 1]" 1
504 1 16 DT H1' 1 16 DT H3' 4.520 3.160 5.880 3.830 3.727 3.946 . 0 0 "[ . 1]" 1
505 1 16 DT H2' 1 16 DT H6 2.930 2.050 3.810 2.189 1.948 2.555 0.102 9 0 "[ . 1]" 1
506 1 16 DT H2'' 1 16 DT H6 3.530 2.470 4.590 3.297 2.464 3.733 0.006 3 0 "[ . 1]" 1
507 1 16 DT H1' 1 16 DT H6 3.960 2.770 5.150 3.588 2.874 3.738 . 0 0 "[ . 1]" 1
508 1 16 DT H1' 1 16 DT H2' 3.470 2.430 4.510 3.021 2.989 3.034 . 0 0 "[ . 1]" 1
509 1 16 DT H1' 1 16 DT H2'' 2.950 2.060 3.840 2.281 2.055 2.536 0.005 4 0 "[ . 1]" 1
510 1 16 DT C7 1 16 DT H1' 6.000 4.200 8.300 5.722 5.194 5.831 . 0 0 "[ . 1]" 1
511 1 16 DT C7 1 16 DT H2'' 5.500 3.800 7.700 5.562 5.103 5.979 . 0 0 "[ . 1]" 1
512 1 16 DT C7 1 16 DT H2' 5.500 3.800 7.700 4.577 4.434 4.696 . 0 0 "[ . 1]" 1
513 1 16 DT H2' 1 16 DT H2'' 2.700 . 3.600 1.792 1.786 1.794 0.014 3 0 "[ . 1]" 1
514 1 16 DT H1' 1 16 DT H4' 3.550 2.480 4.620 3.089 2.760 3.603 . 0 0 "[ . 1]" 1
515 1 16 DT H3' 1 16 DT H4' 2.700 . 3.600 2.827 2.702 2.930 . 0 0 "[ . 1]" 1
516 1 16 DT H4' 1 16 DT H6 5.220 3.650 6.790 4.871 4.508 5.643 . 0 0 "[ . 1]" 1
517 1 16 DT H2' 1 16 DT H4' 4.620 3.230 6.010 3.845 3.814 3.877 . 0 0 "[ . 1]" 1
518 1 16 DT C7 1 16 DT H4' 5.500 3.800 7.700 7.335 7.065 7.855 0.155 10 0 "[ . 1]" 1
519 1 16 DT H2'' 1 16 DT H4' 4.210 2.950 5.470 3.960 3.758 4.093 . 0 0 "[ . 1]" 1
520 1 16 DT H5' 1 16 DT H6 4.500 . 7.200 4.546 2.747 5.216 . 0 0 "[ . 1]" 1
521 1 16 DT H5'' 1 16 DT H6 4.500 . 7.200 4.223 2.778 5.844 . 0 0 "[ . 1]" 1
522 1 16 DT H3' 1 16 DT H5' 4.500 . 7.200 2.888 2.538 3.648 . 0 0 "[ . 1]" 1
523 1 16 DT H3' 1 16 DT H5'' 4.500 . 7.200 2.861 2.443 3.681 . 0 0 "[ . 1]" 1
524 1 16 DT H4' 1 16 DT H5' 4.500 . 7.200 2.613 2.391 3.029 . 0 0 "[ . 1]" 1
525 1 16 DT H4' 1 16 DT H5'' 4.500 . 7.200 2.739 2.372 3.039 . 0 0 "[ . 1]" 1
526 1 16 DT H2' 1 16 DT H5'' 4.500 . 7.200 3.614 2.785 4.239 . 0 0 "[ . 1]" 1
527 1 16 DT H2' 1 16 DT H5' 4.500 . 7.200 3.784 2.533 4.615 . 0 0 "[ . 1]" 1
528 1 16 DT H3' 1 16 DT H6 3.780 2.650 4.910 4.156 3.872 4.746 . 0 0 "[ . 1]" 1
529 1 16 DT C7 1 16 DT H5' 6.000 4.200 8.300 6.783 5.086 7.598 . 0 0 "[ . 1]" 1
530 1 16 DT H3' 1 17 DG H8 4.500 . 7.200 5.916 4.737 6.498 . 0 0 "[ . 1]" 1
531 1 16 DT H6 1 17 DG H8 5.500 3.800 7.200 4.414 3.780 5.783 0.020 8 0 "[ . 1]" 1
532 1 16 DT H1' 1 17 DG H3' 5.840 4.090 7.590 5.331 4.071 6.327 0.019 3 0 "[ . 1]" 1
533 1 16 DT H2' 1 17 DG H8 4.200 2.940 5.460 4.218 2.934 5.234 0.006 8 0 "[ . 1]" 1
534 1 16 DT H2'' 1 17 DG H8 3.800 3.000 4.600 3.438 2.952 3.895 0.048 4 0 "[ . 1]" 1
535 1 16 DT C7 1 17 DG H8 5.500 3.800 7.700 5.318 4.066 6.752 . 0 0 "[ . 1]" 1
536 1 16 DT H2'' 1 17 DG H3' 4.570 3.200 5.940 3.432 3.149 4.334 0.051 4 0 "[ . 1]" 1
537 1 16 DT H2' 1 17 DG H3' 5.500 3.800 7.200 4.366 3.741 6.086 0.059 6 0 "[ . 1]" 1
538 1 16 DT H1' 1 17 DG H8 4.560 3.190 5.930 4.295 3.190 5.302 0.000 10 0 "[ . 1]" 1
539 1 16 DT H1' 1 17 DG H4' 5.660 3.960 7.360 6.354 4.297 7.191 . 0 0 "[ . 1]" 1
540 1 17 DG H3' 1 17 DG H8 4.500 . 7.200 4.042 2.136 4.433 . 0 0 "[ . 1]" 1
541 1 17 DG H1' 1 17 DG H3' 4.250 2.980 5.520 3.867 3.798 3.903 . 0 0 "[ . 1]" 1
542 1 17 DG H2' 1 17 DG H8 2.700 . 3.600 2.135 2.047 2.282 . 0 0 "[ . 1]" 1
543 1 17 DG H2'' 1 17 DG H8 3.800 3.000 4.600 3.214 2.939 3.769 0.061 1 0 "[ . 1]" 1
544 1 17 DG H1' 1 17 DG H2'' 2.700 . 3.600 2.230 2.095 2.363 . 0 0 "[ . 1]" 1
545 1 17 DG H1' 1 17 DG H2' 4.500 . 7.200 2.974 2.708 3.024 . 0 0 "[ . 1]" 1
546 1 17 DG H2'' 1 17 DG H3' 3.800 3.000 4.600 2.993 2.938 3.069 0.062 1 0 "[ . 1]" 1
547 1 17 DG H2' 1 17 DG H3' 2.920 2.040 3.800 2.301 2.274 2.349 . 0 0 "[ . 1]" 1
548 1 17 DG H1' 1 17 DG H8 3.800 3.000 4.600 3.718 3.523 3.897 . 0 0 "[ . 1]" 1
549 1 17 DG H1' 1 17 DG H4' 2.700 . 3.600 2.897 2.690 3.477 . 0 0 "[ . 1]" 1
550 1 17 DG H3' 1 17 DG H4' 2.700 . 3.600 2.942 2.859 3.016 . 0 0 "[ . 1]" 1
551 1 17 DG H2' 1 17 DG H2'' 2.700 . 3.600 1.793 1.787 1.796 0.013 5 0 "[ . 1]" 1
552 1 17 DG H5' 1 17 DG H8 4.500 . 7.200 5.801 5.022 6.567 . 0 0 "[ . 1]" 1
553 1 17 DG H1' 1 17 DG H5' 4.500 . 7.200 4.565 4.464 4.795 . 0 0 "[ . 1]" 1
554 1 17 DG H3' 1 17 DG H5' 4.500 . 7.200 3.647 3.612 3.723 . 0 0 "[ . 1]" 1
555 1 17 DG H4' 1 17 DG H5' 4.500 . 7.200 2.433 2.370 2.474 . 0 0 "[ . 1]" 1
556 1 17 DG H2' 1 17 DG H5' 4.500 . 7.200 4.823 4.437 5.352 . 0 0 "[ . 1]" 1
557 1 17 DG H4' 1 17 DG H8 4.720 3.300 6.140 5.291 4.718 5.533 . 0 0 "[ . 1]" 1
558 1 17 DG H8 1 18 DT H3' 5.500 3.800 7.200 5.674 4.085 7.233 0.033 3 0 "[ . 1]" 1
559 1 17 DG H8 1 18 DT H6 5.500 3.800 7.200 6.339 5.227 7.219 0.019 10 0 "[ . 1]" 1
560 1 17 DG H3' 1 18 DT H1' 6.000 4.200 7.800 6.778 5.723 7.803 0.003 3 0 "[ . 1]" 1
561 1 17 DG H2'' 1 18 DT H6 3.800 3.000 4.600 3.974 3.088 4.441 . 0 0 "[ . 1]" 1
562 1 17 DG H2' 1 18 DT H6 4.970 3.480 6.460 5.635 4.195 6.177 . 0 0 "[ . 1]" 1
563 1 17 DG H8 1 18 DT C7 5.500 3.800 7.700 6.916 5.522 7.719 0.019 6 0 "[ . 1]" 1
564 1 17 DG H1' 1 18 DT C7 6.000 4.200 8.300 4.429 4.154 5.548 0.046 5 0 "[ . 1]" 1
565 1 17 DG H1' 1 18 DT H6 6.000 4.200 7.800 4.328 4.166 5.138 0.034 1 0 "[ . 1]" 1
566 1 17 DG H2'' 1 18 DT H1' 5.500 3.800 7.200 4.948 3.990 5.557 . 0 0 "[ . 1]" 1
567 1 17 DG H2' 1 18 DT H1' 5.500 3.800 7.200 6.576 5.606 7.235 0.035 5 0 "[ . 1]" 1
568 1 17 DG H3' 1 18 DT H2' 5.500 3.800 7.200 5.973 5.423 7.225 0.025 3 0 "[ . 1]" 1
569 1 17 DG H3' 1 18 DT C7 5.500 3.800 7.700 7.518 5.601 7.770 0.070 5 0 "[ . 1]" 1
570 1 17 DG H2' 1 18 DT C7 5.500 3.800 7.700 6.514 3.749 7.241 0.051 3 0 "[ . 1]" 1
571 1 17 DG H2'' 1 18 DT C7 5.500 3.800 7.700 5.185 3.823 5.569 . 0 0 "[ . 1]" 1
572 1 17 DG H1' 1 18 DT H2' 5.500 3.800 7.200 4.542 4.025 6.473 . 0 0 "[ . 1]" 1
573 1 17 DG H1' 1 18 DT H2'' 5.500 3.800 7.200 6.059 5.766 7.057 . 0 0 "[ . 1]" 1
574 1 17 DG H2' 1 18 DT H2' 5.500 3.800 7.200 4.917 4.405 6.049 . 0 0 "[ . 1]" 1
575 1 17 DG H2' 1 18 DT H2'' 5.500 3.800 7.200 6.498 5.878 7.247 0.047 3 0 "[ . 1]" 1
576 1 17 DG H1' 1 18 DT H4' 5.500 3.800 7.200 6.450 5.852 7.203 0.003 6 0 "[ . 1]" 1
577 1 17 DG H4' 1 18 DT H6 6.000 4.200 7.800 6.083 5.141 6.695 . 0 0 "[ . 1]" 1
578 1 17 DG H4' 1 18 DT C7 4.510 3.160 6.360 6.277 5.990 6.456 0.096 3 0 "[ . 1]" 1
579 1 17 DG H8 1 18 DT H5' 4.500 . 7.200 6.316 5.264 7.209 0.009 2 0 "[ . 1]" 1
580 1 17 DG H1' 1 18 DT H3' 5.500 3.800 7.200 5.584 5.154 5.877 . 0 0 "[ . 1]" 1
581 1 17 DG H3' 1 18 DT H6 5.970 4.180 7.760 6.629 5.581 7.043 . 0 0 "[ . 1]" 1
582 1 18 DT C7 1 18 DT H6 2.980 2.090 4.370 2.646 2.630 2.651 . 0 0 "[ . 1]" 1
583 1 18 DT H1' 1 18 DT H3' 4.140 2.900 5.380 3.871 3.825 3.905 . 0 0 "[ . 1]" 1
584 1 18 DT H2' 1 18 DT H6 2.700 . 3.600 1.948 1.840 2.010 . 0 0 "[ . 1]" 1
585 1 18 DT H2'' 1 18 DT H6 2.700 . 3.600 2.707 2.530 3.583 . 0 0 "[ . 1]" 1
586 1 18 DT H1' 1 18 DT H6 3.680 2.580 4.780 3.398 3.326 3.700 . 0 0 "[ . 1]" 1
587 1 18 DT H1' 1 18 DT H2' 2.740 . 3.560 3.007 2.873 3.032 . 0 0 "[ . 1]" 1
588 1 18 DT H1' 1 18 DT H2'' 2.780 . 3.610 2.388 2.110 2.440 . 0 0 "[ . 1]" 1
589 1 18 DT C7 1 18 DT H1' 6.000 4.200 8.300 5.581 5.522 5.795 . 0 0 "[ . 1]" 1
590 1 18 DT H4' 1 18 DT H6 4.880 3.410 6.350 5.224 4.619 5.361 . 0 0 "[ . 1]" 1
591 1 18 DT H1' 1 18 DT H4' 3.400 2.380 4.420 2.873 2.681 3.276 . 0 0 "[ . 1]" 1
592 1 18 DT C7 1 18 DT H2' 3.800 3.000 5.100 4.426 4.368 4.483 . 0 0 "[ . 1]" 1
593 1 18 DT C7 1 18 DT H2'' 5.500 3.800 7.700 5.302 5.144 6.009 . 0 0 "[ . 1]" 1
594 1 18 DT C7 1 18 DT H4' 5.500 3.800 7.700 7.613 7.123 7.728 0.028 5 0 "[ . 1]" 1
595 1 18 DT H2'' 1 18 DT H4' 3.800 3.000 4.600 3.666 3.018 3.978 . 0 0 "[ . 1]" 1
596 1 18 DT H2' 1 18 DT H4' 3.800 3.000 4.600 3.873 3.818 3.899 . 0 0 "[ . 1]" 1
597 1 18 DT H3' 1 18 DT H4' 2.700 . 3.600 2.925 2.797 3.029 . 0 0 "[ . 1]" 1
598 1 18 DT H5' 1 18 DT H6 4.500 . 7.200 6.124 5.259 6.516 . 0 0 "[ . 1]" 1
599 1 18 DT H5'' 1 18 DT H6 4.500 . 7.200 5.391 4.429 6.095 . 0 0 "[ . 1]" 1
600 1 18 DT H1' 1 18 DT H5' 4.500 . 7.200 4.750 4.584 5.043 . 0 0 "[ . 1]" 1
601 1 18 DT H1' 1 18 DT H5'' 4.500 . 7.200 4.718 4.493 5.049 . 0 0 "[ . 1]" 1
602 1 18 DT H2' 1 18 DT H5'' 4.500 . 7.200 3.857 2.857 4.795 . 0 0 "[ . 1]" 1
603 1 18 DT H2' 1 18 DT H5' 4.500 . 7.200 4.649 4.244 5.307 . 0 0 "[ . 1]" 1
604 1 18 DT H3' 1 18 DT H6 3.640 2.550 4.730 4.060 2.549 4.290 0.001 3 0 "[ . 1]" 1
605 1 18 DT H1' 1 19 DG H1' 5.500 3.800 7.200 5.037 4.661 5.512 . 0 0 "[ . 1]" 1
606 1 18 DT H1' 1 19 DG H3' 5.500 3.800 7.200 7.141 6.635 7.263 0.063 10 0 "[ . 1]" 1
607 1 18 DT H6 1 19 DG H8 5.040 3.530 6.550 5.362 5.172 5.596 . 0 0 "[ . 1]" 1
608 1 18 DT H2' 1 19 DG H8 4.500 . 7.200 4.461 3.453 4.822 . 0 0 "[ . 1]" 1
609 1 18 DT H1' 1 19 DG H8 4.270 2.990 5.550 3.719 3.409 4.369 . 0 0 "[ . 1]" 1
610 1 18 DT H2'' 1 19 DG H8 2.700 . 3.600 2.849 2.442 3.152 . 0 0 "[ . 1]" 1
611 1 18 DT C7 1 19 DG H8 6.000 4.200 8.300 7.805 7.664 8.093 . 0 0 "[ . 1]" 1
612 1 18 DT H1' 1 19 DG H2' 5.500 3.800 7.200 5.583 5.361 6.094 . 0 0 "[ . 1]" 1
613 1 18 DT H1' 1 19 DG H2'' 5.500 3.800 7.200 6.462 6.224 7.011 . 0 0 "[ . 1]" 1
614 1 18 DT H2'' 1 19 DG H1' 5.500 3.800 7.200 5.768 4.837 6.409 . 0 0 "[ . 1]" 1
615 1 18 DT H2'' 1 19 DG H2' 5.130 3.590 6.670 5.132 4.433 5.478 . 0 0 "[ . 1]" 1
616 1 18 DT H2'' 1 19 DG H2'' 5.500 3.800 7.200 6.534 5.716 6.927 . 0 0 "[ . 1]" 1
617 1 18 DT H1' 1 19 DG H4' 5.500 3.800 7.200 6.395 6.136 6.582 . 0 0 "[ . 1]" 1
618 1 18 DT H4' 1 19 DG H8 5.740 4.020 7.460 4.337 4.013 4.877 0.007 10 0 "[ . 1]" 1
619 1 18 DT H3' 1 19 DG H8 5.100 3.570 6.630 4.436 3.989 4.758 . 0 0 "[ . 1]" 1
620 1 19 DG H1' 1 19 DG H3' 4.040 3.230 4.850 3.902 3.868 3.994 . 0 0 "[ . 1]" 1
621 1 19 DG H2' 1 19 DG H8 2.870 2.300 3.440 2.364 2.235 2.740 0.065 3 0 "[ . 1]" 1
622 1 19 DG H2'' 1 19 DG H8 3.800 3.000 4.600 3.898 3.778 4.190 . 0 0 "[ . 1]" 1
623 1 19 DG H1' 1 19 DG H8 4.080 3.260 4.900 3.902 3.889 3.915 . 0 0 "[ . 1]" 1
624 1 19 DG H1' 1 19 DG H2' 3.250 2.600 3.900 3.003 2.960 3.018 . 0 0 "[ . 1]" 1
625 1 19 DG H1' 1 19 DG H2'' 2.700 . 3.600 2.371 2.188 2.487 . 0 0 "[ . 1]" 1
626 1 19 DG H2' 1 19 DG H3' 3.040 2.430 3.650 2.350 2.317 2.369 0.113 1 0 "[ . 1]" 1
627 1 19 DG H2'' 1 19 DG H3' 3.180 2.540 3.820 2.746 2.598 3.045 . 0 0 "[ . 1]" 1
628 1 19 DG H2'' 1 19 DG H4' 3.800 3.000 4.600 3.933 3.260 4.080 . 0 0 "[ . 1]" 1
629 1 19 DG H2' 1 19 DG H4' 4.160 3.330 4.990 3.871 3.847 3.899 . 0 0 "[ . 1]" 1
630 1 19 DG H2' 1 19 DG H2'' 2.700 . 3.600 1.792 1.790 1.794 0.010 3 0 "[ . 1]" 1
631 1 19 DG H3' 1 19 DG H4' 2.700 . 3.600 2.794 2.713 3.010 . 0 0 "[ . 1]" 1
632 1 19 DG H1' 1 19 DG H4' 2.700 . 3.600 3.303 2.716 3.645 0.045 3 0 "[ . 1]" 1
633 1 19 DG H5' 1 19 DG H8 4.320 3.020 5.620 4.200 3.743 5.368 . 0 0 "[ . 1]" 1
634 1 19 DG H5'' 1 19 DG H8 4.120 2.890 5.350 4.469 3.724 4.832 . 0 0 "[ . 1]" 1
635 1 19 DG H1' 1 19 DG H5' 5.660 3.960 7.360 4.699 4.607 4.760 . 0 0 "[ . 1]" 1
636 1 19 DG H1' 1 19 DG H5'' 5.650 3.960 7.340 4.997 4.877 5.031 . 0 0 "[ . 1]" 1
637 1 19 DG H3' 1 19 DG H5' 3.330 2.330 4.330 3.629 3.612 3.653 . 0 0 "[ . 1]" 1
638 1 19 DG H3' 1 19 DG H5'' 3.250 2.270 4.230 2.420 2.326 2.479 . 0 0 "[ . 1]" 1
639 1 19 DG H4' 1 19 DG H5' 2.700 . 3.600 2.407 2.247 2.453 . 0 0 "[ . 1]" 1
640 1 19 DG H4' 1 19 DG H5'' 2.700 . 3.600 2.516 2.457 2.751 . 0 0 "[ . 1]" 1
641 1 19 DG H2' 1 19 DG H5'' 4.500 . 7.200 3.876 3.566 4.433 . 0 0 "[ . 1]" 1
642 1 19 DG H2'' 1 19 DG H5'' 4.070 2.850 5.290 4.763 4.681 4.924 . 0 0 "[ . 1]" 1
643 1 19 DG H2' 1 19 DG H5' 4.500 . 7.200 4.324 4.084 5.231 . 0 0 "[ . 1]" 1
644 1 19 DG H2'' 1 19 DG H5' 4.500 . 7.200 5.244 5.203 5.280 . 0 0 "[ . 1]" 1
645 1 19 DG H3' 1 19 DG H8 3.800 3.040 4.560 4.116 3.582 4.285 . 0 0 "[ . 1]" 1
646 1 19 DG H8 1 20 DG H8 4.590 3.670 5.510 4.518 4.060 4.741 . 0 0 "[ . 1]" 1
647 1 19 DG H1' 1 20 DG H3' 4.500 . 7.200 5.429 4.994 6.318 . 0 0 "[ . 1]" 1
648 1 19 DG H2'' 1 20 DG H8 3.230 2.580 3.880 2.567 2.507 2.584 0.073 1 0 "[ . 1]" 1
649 1 19 DG H8 1 20 DG H2' 6.000 4.800 7.200 7.063 6.719 7.223 0.023 7 0 "[ . 1]" 1
650 1 19 DG H1' 1 20 DG H2' 5.500 3.800 7.200 4.922 4.448 5.659 . 0 0 "[ . 1]" 1
651 1 19 DG H2'' 1 20 DG H2' 5.500 3.800 7.200 4.019 3.783 4.565 0.017 1 0 "[ . 1]" 1
652 1 19 DG H1' 1 20 DG H8 3.800 3.000 4.600 3.333 3.174 3.737 . 0 0 "[ . 1]" 1
653 1 19 DG H1' 1 20 DG H4' 4.930 3.940 5.920 4.390 4.074 4.687 . 0 0 "[ . 1]" 1
654 1 19 DG H5' 1 20 DG H8 5.500 3.800 7.200 7.218 7.161 7.276 0.076 1 0 "[ . 1]" 1
655 1 19 DG H5'' 1 20 DG H8 5.500 3.800 7.200 7.025 6.629 7.204 0.004 7 0 "[ . 1]" 1
656 1 19 DG H4' 1 20 DG H8 5.500 3.800 7.200 6.123 5.563 6.332 . 0 0 "[ . 1]" 1
657 1 19 DG H2'' 1 20 DG H4' 5.520 3.860 7.180 4.935 3.821 5.370 0.039 1 0 "[ . 1]" 1
658 1 19 DG H3' 1 20 DG H8 4.500 . 7.200 5.146 4.493 5.296 . 0 0 "[ . 1]" 1
659 1 20 DG H1' 1 20 DG H3' 4.500 . 7.200 3.806 3.741 3.836 . 0 0 "[ . 1]" 1
660 1 20 DG H3' 1 20 DG H8 4.500 . 7.200 4.448 4.346 4.664 . 0 0 "[ . 1]" 1
661 1 20 DG H2'' 1 20 DG H8 3.800 3.000 4.600 3.891 3.684 4.098 . 0 0 "[ . 1]" 1
662 1 20 DG H2' 1 20 DG H8 2.700 . 3.600 2.660 2.511 2.950 . 0 0 "[ . 1]" 1
663 1 20 DG H1' 1 20 DG H2'' 2.700 . 3.600 2.195 2.177 2.212 . 0 0 "[ . 1]" 1
664 1 20 DG H1' 1 20 DG H2' 4.500 . 7.200 3.026 3.021 3.032 . 0 0 "[ . 1]" 1
665 1 20 DG H2'' 1 20 DG H3' 3.800 3.000 4.600 2.997 2.987 3.018 0.013 7 0 "[ . 1]" 1
666 1 20 DG H2' 1 20 DG H3' 2.700 . 3.600 2.329 2.306 2.370 . 0 0 "[ . 1]" 1
667 1 20 DG H4' 1 20 DG H8 5.290 4.230 6.350 4.903 4.720 4.972 . 0 0 "[ . 1]" 1
668 1 20 DG H1' 1 20 DG H4' 3.450 2.760 4.140 2.886 2.784 3.068 . 0 0 "[ . 1]" 1
669 1 20 DG H1' 1 20 DG H8 3.430 2.740 4.120 3.915 3.885 3.925 . 0 0 "[ . 1]" 1
670 1 20 DG H3' 1 20 DG H4' 2.700 . 3.600 2.881 2.823 2.923 . 0 0 "[ . 1]" 1
671 1 20 DG H2' 1 20 DG H2'' 2.700 . 3.600 1.794 1.792 1.795 0.008 9 0 "[ . 1]" 1
672 1 20 DG H5' 1 20 DG H8 4.500 . 7.200 4.593 4.444 4.916 . 0 0 "[ . 1]" 1
673 1 20 DG H1' 1 20 DG H5' 4.500 . 7.200 4.582 4.507 4.927 . 0 0 "[ . 1]" 1
674 1 20 DG H4' 1 20 DG H5' 4.500 . 7.200 2.461 2.449 2.479 . 0 0 "[ . 1]" 1
675 1 20 DG H2'' 1 20 DG H5' 4.500 . 7.200 5.326 5.036 5.389 . 0 0 "[ . 1]" 1
676 1 20 DG H2' 1 20 DG H4' 5.200 3.640 6.760 3.861 3.810 3.879 . 0 0 "[ . 1]" 1
677 1 20 DG H2'' 1 20 DG H4' 4.620 3.700 5.540 3.899 3.779 4.045 . 0 0 "[ . 1]" 1
678 1 20 DG H1' 1 21 DG H1' 5.500 3.800 7.200 5.778 5.499 6.125 . 0 0 "[ . 1]" 1
679 1 20 DG H2'' 1 21 DG H1' 6.000 4.800 7.200 5.459 5.258 5.743 . 0 0 "[ . 1]" 1
680 1 20 DG H1' 1 21 DG H4' 5.530 4.420 6.640 4.776 4.428 5.225 . 0 0 "[ . 1]" 1
681 1 20 DG H2'' 1 21 DG H4' 6.000 4.200 7.800 4.972 4.283 5.298 . 0 0 "[ . 1]" 1
682 1 21 DG H1' 1 21 DG H3' 3.800 3.000 4.600 3.816 3.791 3.843 . 0 0 "[ . 1]" 1
683 1 21 DG H2'' 1 21 DG H8 3.260 2.610 3.910 3.812 3.616 3.922 0.012 9 0 "[ . 1]" 1
684 1 21 DG H2' 1 21 DG H8 4.500 . 7.200 2.389 2.166 2.645 . 0 0 "[ . 1]" 1
685 1 21 DG H1' 1 21 DG H2'' 2.700 . 3.600 2.378 2.177 2.410 . 0 0 "[ . 1]" 1
686 1 21 DG H1' 1 21 DG H2' 3.800 3.000 4.600 3.021 3.015 3.027 . 0 0 "[ . 1]" 1
687 1 21 DG H2'' 1 21 DG H3' 4.500 . 7.200 2.756 2.693 2.940 . 0 0 "[ . 1]" 1
688 1 21 DG H1' 1 21 DG H8 4.220 3.380 5.060 3.913 3.894 3.920 . 0 0 "[ . 1]" 1
689 1 21 DG H4' 1 21 DG H8 6.000 4.800 7.200 4.947 4.760 5.015 0.040 9 0 "[ . 1]" 1
690 1 21 DG H1' 1 21 DG H4' 3.800 3.000 4.600 3.141 2.989 3.359 0.011 10 0 "[ . 1]" 1
691 1 21 DG H5'' 1 21 DG H8 4.500 . 7.200 4.794 2.888 5.239 . 0 0 "[ . 1]" 1
692 1 21 DG H5' 1 21 DG H8 3.800 3.000 4.600 4.251 2.966 4.603 0.034 5 0 "[ . 1]" 1
693 1 21 DG H1' 1 21 DG H5' 5.500 3.800 7.200 4.608 4.265 4.968 . 0 0 "[ . 1]" 1
694 1 21 DG H1' 1 21 DG H5'' 4.500 . 7.200 4.870 4.357 4.994 . 0 0 "[ . 1]" 1
695 1 21 DG H3' 1 21 DG H5' 4.500 . 7.200 3.443 2.399 3.659 . 0 0 "[ . 1]" 1
696 1 21 DG H3' 1 21 DG H5'' 4.500 . 7.200 2.704 2.539 3.612 . 0 0 "[ . 1]" 1
697 1 21 DG H4' 1 21 DG H5'' 2.700 . 3.600 2.475 2.364 3.040 . 0 0 "[ . 1]" 1
698 1 21 DG H4' 1 21 DG H5' 4.500 . 7.200 2.548 2.482 3.018 . 0 0 "[ . 1]" 1
699 1 21 DG H2'' 1 21 DG H4' 4.500 . 7.200 3.997 3.897 4.082 . 0 0 "[ . 1]" 1
700 1 21 DG H2' 1 21 DG H4' 4.500 . 7.200 3.844 3.816 3.877 . 0 0 "[ . 1]" 1
701 1 21 DG H3' 1 21 DG H8 4.500 . 7.200 4.376 4.292 4.473 . 0 0 "[ . 1]" 1
702 1 21 DG H3' 1 22 DT H2' 4.500 . 7.200 6.172 5.624 6.777 . 0 0 "[ . 1]" 1
703 1 21 DG H4' 1 22 DT H6 5.500 3.800 7.200 4.944 3.793 6.490 0.007 10 0 "[ . 1]" 1
704 1 21 DG H1' 1 22 DT H4' 5.500 3.800 7.200 5.641 4.428 6.644 . 0 0 "[ . 1]" 1
705 1 21 DG H4' 1 22 DT H2' 3.800 3.000 4.600 4.085 3.391 4.629 0.029 5 0 "[ . 1]" 1
706 1 22 DT H3' 1 22 DT H6 4.500 . 7.200 4.641 4.066 5.006 . 0 0 "[ . 1]" 1
707 1 22 DT C7 1 22 DT H6 2.700 . 4.100 2.660 2.659 2.662 . 0 0 "[ . 1]" 1
708 1 22 DT H1' 1 22 DT H3' 3.800 3.000 4.600 3.847 3.793 3.890 . 0 0 "[ . 1]" 1
709 1 22 DT H2' 1 22 DT H6 3.800 3.000 4.600 3.525 2.966 4.159 0.034 1 0 "[ . 1]" 1
710 1 22 DT H2'' 1 22 DT H6 3.800 3.000 4.600 4.380 4.083 4.626 0.026 8 0 "[ . 1]" 1
711 1 22 DT H1' 1 22 DT H2' 2.700 . 3.600 3.019 3.003 3.035 . 0 0 "[ . 1]" 1
712 1 22 DT H1' 1 22 DT H2'' 2.700 . 3.600 2.188 2.134 2.228 . 0 0 "[ . 1]" 1
713 1 22 DT H2' 1 22 DT H3' 2.700 . 3.600 2.308 2.285 2.338 . 0 0 "[ . 1]" 1
714 1 22 DT H2'' 1 22 DT H3' 3.800 3.000 4.600 3.018 2.986 3.070 0.014 9 0 "[ . 1]" 1
715 1 22 DT H1' 1 22 DT H4' 2.700 . 3.600 2.794 2.670 2.949 . 0 0 "[ . 1]" 1
716 1 22 DT H4' 1 22 DT H6 3.800 3.000 4.600 4.248 4.171 4.387 . 0 0 "[ . 1]" 1
717 1 22 DT H1' 1 22 DT H6 3.800 3.000 4.600 3.451 3.149 3.663 . 0 0 "[ . 1]" 1
718 1 22 DT H3' 1 22 DT H4' 2.700 . 3.600 2.928 2.866 2.986 . 0 0 "[ . 1]" 1
719 1 22 DT H4' 1 23 DG H8 5.500 3.800 7.200 6.015 4.824 7.060 . 0 0 "[ . 1]" 1
720 1 22 DT H1' 1 23 DG H4' 5.500 3.800 7.200 6.078 4.552 7.232 0.032 2 0 "[ . 1]" 1
721 1 22 DT H4' 1 24 DG H8 5.500 3.800 7.200 5.266 3.789 6.839 0.011 9 0 "[ . 1]" 1
722 1 23 DG H1' 1 23 DG H3' 3.800 3.000 4.600 3.931 3.907 3.979 . 0 0 "[ . 1]" 1
723 1 23 DG H2'' 1 23 DG H8 4.500 . 7.200 4.582 4.483 4.662 . 0 0 "[ . 1]" 1
724 1 23 DG H2' 1 23 DG H8 4.500 . 7.200 3.505 3.220 3.707 . 0 0 "[ . 1]" 1
725 1 23 DG H1' 1 23 DG H2' 2.700 . 3.600 2.810 2.751 2.886 . 0 0 "[ . 1]" 1
726 1 23 DG H1' 1 23 DG H2'' 2.700 . 3.600 2.217 2.152 2.313 . 0 0 "[ . 1]" 1
727 1 23 DG H2'' 1 23 DG H3' 3.800 3.000 4.600 3.066 3.020 3.107 . 0 0 "[ . 1]" 1
728 1 23 DG H2' 1 23 DG H3' 2.700 . 3.600 2.309 2.294 2.319 . 0 0 "[ . 1]" 1
729 1 23 DG H2' 1 23 DG H2'' 2.700 . 3.600 1.790 1.788 1.791 0.012 5 0 "[ . 1]" 1
730 1 23 DG H4' 1 23 DG H8 3.800 3.000 4.600 4.354 4.058 4.569 . 0 0 "[ . 1]" 1
731 1 23 DG H1' 1 23 DG H4' 2.700 . 3.600 3.285 3.039 3.638 0.038 5 0 "[ . 1]" 1
732 1 23 DG H3' 1 23 DG H4' 2.700 . 3.600 3.002 2.944 3.022 . 0 0 "[ . 1]" 1
733 1 23 DG H1' 1 23 DG H8 4.500 . 7.200 3.857 3.819 3.881 . 0 0 "[ . 1]" 1
734 1 23 DG H5'' 1 23 DG H8 4.500 . 7.200 3.979 3.124 4.687 . 0 0 "[ . 1]" 1
735 1 23 DG H5' 1 23 DG H8 4.500 . 7.200 3.144 2.143 4.229 . 0 0 "[ . 1]" 1
736 1 23 DG H1' 1 23 DG H5' 4.500 . 7.200 4.603 4.546 4.712 . 0 0 "[ . 1]" 1
737 1 23 DG H1' 1 23 DG H5'' 4.500 . 7.200 4.900 4.584 5.229 . 0 0 "[ . 1]" 1
738 1 23 DG H3' 1 23 DG H5' 4.500 . 7.200 3.056 2.302 3.718 . 0 0 "[ . 1]" 1
739 1 23 DG H3' 1 23 DG H5'' 4.500 . 7.200 3.238 2.739 3.683 . 0 0 "[ . 1]" 1
740 1 23 DG H4' 1 23 DG H5'' 4.500 . 7.200 2.468 2.411 2.567 . 0 0 "[ . 1]" 1
741 1 23 DG H4' 1 23 DG H5' 4.500 . 7.200 2.748 2.384 3.040 . 0 0 "[ . 1]" 1
742 1 23 DG H3' 1 23 DG H8 3.800 3.000 4.600 3.051 2.954 3.400 0.046 7 0 "[ . 1]" 1
743 1 23 DG H3' 1 24 DG H8 4.500 . 7.200 3.925 3.521 4.389 . 0 0 "[ . 1]" 1
744 1 23 DG H1' 1 24 DG H1' 5.500 3.800 7.200 5.558 5.289 5.981 . 0 0 "[ . 1]" 1
745 1 23 DG H2' 1 24 DG H8 4.500 . 7.200 2.241 2.135 2.431 . 0 0 "[ . 1]" 1
746 1 23 DG H2'' 1 24 DG H8 3.800 3.000 4.600 3.366 2.991 3.657 0.009 10 0 "[ . 1]" 1
747 1 23 DG H2'' 1 24 DG H1' 5.500 3.800 7.200 4.602 4.350 4.925 . 0 0 "[ . 1]" 1
748 1 23 DG H2' 1 24 DG H3' 5.500 3.800 7.200 5.581 5.129 6.135 . 0 0 "[ . 1]" 1
749 1 23 DG H2' 1 24 DG H2' 5.500 3.800 7.200 4.393 3.914 5.110 . 0 0 "[ . 1]" 1
750 1 23 DG H1' 1 24 DG H8 4.500 . 7.200 4.719 4.541 4.880 . 0 0 "[ . 1]" 1
751 1 24 DG H3' 1 24 DG H8 4.500 . 7.200 4.434 4.314 4.595 . 0 0 "[ . 1]" 1
752 1 24 DG H1' 1 24 DG H3' 3.780 3.020 4.540 3.847 3.812 3.885 . 0 0 "[ . 1]" 1
753 1 24 DG H2'' 1 24 DG H8 4.500 . 7.200 4.055 3.738 4.436 . 0 0 "[ . 1]" 1
754 1 24 DG H2' 1 24 DG H8 4.500 . 7.200 2.581 2.282 2.895 . 0 0 "[ . 1]" 1
755 1 24 DG H1' 1 24 DG H2'' 2.700 . 3.600 2.451 2.354 2.603 . 0 0 "[ . 1]" 1
756 1 24 DG H1' 1 24 DG H2' 4.500 . 7.200 3.019 3.008 3.025 . 0 0 "[ . 1]" 1
757 1 24 DG H1' 1 24 DG H4' 3.360 2.690 4.030 3.295 3.101 3.516 . 0 0 "[ . 1]" 1
758 1 24 DG H4' 1 24 DG H8 4.500 . 7.200 4.761 4.454 4.990 . 0 0 "[ . 1]" 1
759 1 24 DG H3' 1 24 DG H4' 2.700 . 3.600 2.774 2.714 2.822 . 0 0 "[ . 1]" 1
760 1 24 DG H1' 1 24 DG H8 4.500 . 7.200 3.908 3.893 3.920 . 0 0 "[ . 1]" 1
761 1 24 DG H5' 1 24 DG H8 4.500 . 7.200 4.335 4.067 4.543 . 0 0 "[ . 1]" 1
762 1 24 DG H5'' 1 24 DG H8 4.500 . 7.200 3.898 2.366 4.924 . 0 0 "[ . 1]" 1
763 1 24 DG H3' 1 24 DG H5' 4.500 . 7.200 3.179 2.476 3.646 . 0 0 "[ . 1]" 1
764 1 24 DG H3' 1 24 DG H5'' 4.500 . 7.200 2.529 2.396 2.714 . 0 0 "[ . 1]" 1
765 1 24 DG H4' 1 24 DG H5' 4.500 . 7.200 2.429 2.398 2.457 . 0 0 "[ . 1]" 1
766 1 24 DG H4' 1 24 DG H5'' 4.500 . 7.200 2.716 2.464 3.038 . 0 0 "[ . 1]" 1
767 1 24 DG H8 1 25 DG H8 4.680 3.740 5.620 5.349 5.197 5.616 . 0 0 "[ . 1]" 1
768 1 24 DG H1' 1 25 DG H1' 5.500 3.800 7.200 5.718 5.487 6.129 . 0 0 "[ . 1]" 1
769 1 24 DG H1' 1 25 DG H3' 5.500 3.800 7.200 6.110 5.822 7.115 . 0 0 "[ . 1]" 1
770 1 24 DG H2' 1 25 DG H8 4.500 . 7.200 3.676 3.002 4.142 . 0 0 "[ . 1]" 1
771 1 24 DG H2'' 1 25 DG H8 4.500 . 7.200 2.378 2.191 2.589 . 0 0 "[ . 1]" 1
772 1 24 DG H1' 1 25 DG H2' 4.500 . 7.200 5.280 4.739 6.183 . 0 0 "[ . 1]" 1
773 1 24 DG H1' 1 25 DG H2'' 4.500 . 7.200 6.547 6.226 7.146 . 0 0 "[ . 1]" 1
774 1 24 DG H3' 1 25 DG H8 4.500 . 7.200 4.938 4.414 5.268 . 0 0 "[ . 1]" 1
775 1 24 DG H1' 1 25 DG H8 3.340 2.670 4.010 3.446 3.186 3.730 . 0 0 "[ . 1]" 1
776 1 24 DG H8 1 26 DT C7 6.000 4.800 7.700 7.065 6.081 7.578 . 0 0 "[ . 1]" 1
777 1 24 DG H1' 1 26 DT C7 6.000 4.800 7.700 6.656 5.849 6.998 . 0 0 "[ . 1]" 1
778 1 24 DG H3' 1 26 DT C7 5.500 3.800 7.700 6.738 5.690 7.559 . 0 0 "[ . 1]" 1
779 1 25 DG H1' 1 25 DG H3' 4.160 3.330 4.990 3.822 3.777 3.853 . 0 0 "[ . 1]" 1
780 1 25 DG H2' 1 25 DG H8 3.300 2.310 4.290 2.505 2.286 2.919 0.024 4 0 "[ . 1]" 1
781 1 25 DG H2'' 1 25 DG H8 3.800 3.000 4.600 3.853 3.460 4.182 . 0 0 "[ . 1]" 1
782 1 25 DG H1' 1 25 DG H2'' 2.700 . 3.600 2.302 2.118 2.667 . 0 0 "[ . 1]" 1
783 1 25 DG H1' 1 25 DG H2' 4.500 . 7.200 3.026 3.020 3.031 . 0 0 "[ . 1]" 1
784 1 25 DG H2' 1 25 DG H3' 2.700 . 3.600 2.346 2.308 2.376 . 0 0 "[ . 1]" 1
785 1 25 DG H2'' 1 25 DG H3' 4.500 . 7.200 2.776 2.250 3.033 . 0 0 "[ . 1]" 1
786 1 25 DG H1' 1 25 DG H4' 2.700 . 3.600 3.124 2.899 3.382 . 0 0 "[ . 1]" 1
787 1 25 DG H4' 1 25 DG H8 4.540 3.630 5.450 4.865 4.521 5.010 . 0 0 "[ . 1]" 1
788 1 25 DG H3' 1 25 DG H4' 2.700 . 3.600 2.818 2.742 2.898 . 0 0 "[ . 1]" 1
789 1 25 DG H2' 1 25 DG H2'' 2.700 . 3.600 1.794 1.790 1.795 0.010 9 0 "[ . 1]" 1
790 1 25 DG H1' 1 25 DG H8 4.500 . 7.200 3.908 3.884 3.920 . 0 0 "[ . 1]" 1
791 1 25 DG H5' 1 25 DG H8 4.500 . 7.200 4.339 4.188 4.650 . 0 0 "[ . 1]" 1
792 1 25 DG H1' 1 25 DG H5' 4.500 . 7.200 4.661 4.570 5.008 . 0 0 "[ . 1]" 1
793 1 25 DG H3' 1 25 DG H5' 4.500 . 7.200 3.526 2.512 3.662 . 0 0 "[ . 1]" 1
794 1 25 DG H4' 1 25 DG H5' 4.500 . 7.200 2.463 2.441 2.494 . 0 0 "[ . 1]" 1
795 1 25 DG H2' 1 25 DG H5' 4.500 . 7.200 4.211 3.728 4.576 . 0 0 "[ . 1]" 1
796 1 25 DG H3' 1 25 DG H8 3.830 3.060 4.600 4.401 4.203 4.620 0.020 3 0 "[ . 1]" 1
797 1 25 DG H1' 1 26 DT H1' 5.500 3.800 7.200 5.587 4.657 6.073 . 0 0 "[ . 1]" 1
798 1 25 DG H8 1 26 DT H1' 5.500 3.800 7.200 6.853 6.114 7.206 0.006 7 0 "[ . 1]" 1
799 1 25 DG H2'' 1 26 DT H6 3.700 2.960 4.440 3.056 2.928 3.560 0.032 9 0 "[ . 1]" 1
800 1 25 DG H2' 1 26 DT H6 3.440 2.750 4.130 3.046 2.831 3.299 . 0 0 "[ . 1]" 1
801 1 25 DG H8 1 26 DT C7 3.670 2.940 4.900 3.507 3.118 3.792 . 0 0 "[ . 1]" 1
802 1 25 DG H8 1 26 DT H2' 5.500 3.800 7.200 6.127 5.381 6.513 . 0 0 "[ . 1]" 1
803 1 25 DG H1' 1 26 DT H6 4.470 3.580 5.360 4.646 3.712 5.260 . 0 0 "[ . 1]" 1
804 1 25 DG H1' 1 26 DT C7 4.850 3.880 6.320 6.014 5.497 6.330 0.010 6 0 "[ . 1]" 1
805 1 25 DG H2' 1 26 DT H1' 5.500 3.800 7.200 5.848 5.046 6.492 . 0 0 "[ . 1]" 1
806 1 25 DG H3' 1 26 DT C7 4.500 . 7.700 5.925 5.594 6.377 . 0 0 "[ . 1]" 1
807 1 25 DG H2' 1 26 DT H3' 5.500 3.800 7.200 5.008 3.811 5.561 . 0 0 "[ . 1]" 1
808 1 25 DG H2' 1 26 DT C7 3.980 3.180 5.280 3.854 3.621 4.175 . 0 0 "[ . 1]" 1
809 1 25 DG H2'' 1 26 DT C7 3.870 3.100 5.140 4.811 4.458 5.147 0.007 3 0 "[ . 1]" 1
810 1 25 DG H4' 1 26 DT H6 6.000 4.800 7.200 6.580 6.127 6.956 . 0 0 "[ . 1]" 1
811 1 25 DG H8 1 26 DT H4' 6.000 4.200 7.800 7.297 6.814 7.533 . 0 0 "[ . 1]" 1
812 1 25 DG H4' 1 26 DT C7 6.000 4.800 7.700 7.545 7.323 7.701 0.001 1 0 "[ . 1]" 1
813 1 25 DG H1' 1 26 DT H4' 4.870 3.900 5.840 4.719 3.945 5.694 . 0 0 "[ . 1]" 1
814 1 25 DG H8 1 26 DT H6 4.730 3.780 5.680 4.152 3.955 4.333 . 0 0 "[ . 1]" 1
815 1 25 DG H8 1 26 DT H5'' 5.500 3.800 7.200 6.866 5.431 7.252 0.052 9 0 "[ . 1]" 1
816 1 25 DG H8 1 26 DT H5' 5.500 3.800 7.200 6.054 5.633 7.212 0.012 10 0 "[ . 1]" 1
817 1 25 DG H5'' 1 26 DT H6 5.500 3.800 7.200 6.781 4.795 7.249 0.049 9 0 "[ . 1]" 1
818 1 25 DG H3' 1 26 DT H6 4.290 3.430 5.150 4.886 4.746 5.174 0.024 10 0 "[ . 1]" 1
819 1 25 DG H8 1 26 DT H3' 5.500 3.800 7.200 7.061 6.339 7.265 0.065 8 0 "[ . 1]" 1
820 1 26 DT C7 1 26 DT H6 2.970 2.380 4.060 2.657 2.651 2.658 . 0 0 "[ . 1]" 1
821 1 26 DT H1' 1 26 DT H3' 4.360 3.490 5.230 3.814 3.737 3.896 . 0 0 "[ . 1]" 1
822 1 26 DT H2' 1 26 DT H6 2.700 . 3.600 2.144 1.807 2.414 . 0 0 "[ . 1]" 1
823 1 26 DT H2'' 1 26 DT H6 3.800 3.000 4.600 3.618 2.996 3.879 0.004 8 0 "[ . 1]" 1
824 1 26 DT C7 1 26 DT H1' 6.000 4.800 7.700 5.821 5.724 5.837 . 0 0 "[ . 1]" 1
825 1 26 DT H1' 1 26 DT H6 3.720 2.980 4.460 3.719 3.579 3.741 . 0 0 "[ . 1]" 1
826 1 26 DT H1' 1 26 DT H2'' 4.500 . 7.200 2.402 2.317 2.608 . 0 0 "[ . 1]" 1
827 1 26 DT H1' 1 26 DT H2' 4.500 . 7.200 3.013 2.926 3.031 . 0 0 "[ . 1]" 1
828 1 26 DT C7 1 26 DT H3' 6.000 4.800 7.700 6.368 5.350 6.758 . 0 0 "[ . 1]" 1
829 1 26 DT H1' 1 26 DT H4' 3.170 2.540 3.800 2.735 2.584 3.055 . 0 0 "[ . 1]" 1
830 1 26 DT H4' 1 26 DT H6 4.770 3.820 5.720 4.757 4.579 5.155 . 0 0 "[ . 1]" 1
831 1 26 DT H3' 1 26 DT H4' 2.700 . 3.600 2.935 2.806 3.018 . 0 0 "[ . 1]" 1
832 1 26 DT C7 1 26 DT H2' 4.500 . 7.700 4.557 4.442 4.703 . 0 0 "[ . 1]" 1
833 1 26 DT C7 1 26 DT H2'' 4.500 . 7.700 5.876 5.526 6.132 . 0 0 "[ . 1]" 1
834 1 26 DT H5' 1 26 DT H6 4.350 3.480 5.220 4.691 4.233 5.110 . 0 0 "[ . 1]" 1
835 1 26 DT H5'' 1 26 DT H6 4.550 3.640 5.460 4.997 3.623 5.530 0.070 8 0 "[ . 1]" 1
836 1 26 DT H1' 1 26 DT H5' 4.120 2.890 5.350 4.530 4.373 4.952 . 0 0 "[ . 1]" 1
837 1 26 DT H1' 1 26 DT H5'' 4.500 . 7.200 4.737 4.477 4.901 . 0 0 "[ . 1]" 1
838 1 26 DT H3' 1 26 DT H5' 3.230 2.260 4.200 3.412 2.509 3.636 . 0 0 "[ . 1]" 1
839 1 26 DT H3' 1 26 DT H5'' 4.500 . 7.200 2.757 2.463 2.889 . 0 0 "[ . 1]" 1
840 1 26 DT H4' 1 26 DT H5'' 4.500 . 7.200 2.507 2.350 3.041 . 0 0 "[ . 1]" 1
841 1 26 DT H2' 1 26 DT H5'' 4.500 . 7.200 4.409 3.354 4.720 . 0 0 "[ . 1]" 1
842 1 26 DT H2' 1 26 DT H5' 4.500 . 7.200 4.536 4.002 4.843 . 0 0 "[ . 1]" 1
843 1 26 DT H3' 1 26 DT H6 3.510 2.810 4.210 3.770 2.801 4.135 0.009 3 0 "[ . 1]" 1
844 1 1 DA H2 1 17 DG H4' 5.500 3.800 7.200 4.886 3.796 7.247 0.047 3 0 "[ . 1]" 1
845 1 5 DG H1' 1 6 DT H4' 5.500 3.800 7.200 5.490 4.782 5.938 . 0 0 "[ . 1]" 1
846 1 5 DG H3' 1 6 DT H2' 4.500 . 7.200 5.823 5.447 6.492 . 0 0 "[ . 1]" 1
847 1 5 DG H4' 1 6 DT H2' 3.800 3.000 4.600 3.569 2.986 4.601 0.014 6 0 "[ . 1]" 1
848 1 5 DG H4' 1 6 DT H6 5.500 3.800 7.200 5.519 4.266 6.488 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 75
_Distance_constraint_stats_list.Viol_count 80
_Distance_constraint_stats_list.Viol_total 24.082
_Distance_constraint_stats_list.Viol_max 0.080
_Distance_constraint_stats_list.Viol_rms 0.0122
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0032
_Distance_constraint_stats_list.Viol_average_violations_only 0.0301
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 DA 0.511 0.079 7 0 "[ . 1]"
1 3 DG 0.088 0.044 2 0 "[ . 1]"
1 4 DG 0.541 0.080 1 0 "[ . 1]"
1 5 DG 0.144 0.048 6 0 "[ . 1]"
1 7 DG 0.036 0.020 6 0 "[ . 1]"
1 8 DG 0.344 0.057 4 0 "[ . 1]"
1 9 DG 0.035 0.026 3 0 "[ . 1]"
1 10 DT 0.035 0.026 3 0 "[ . 1]"
1 18 DT 0.116 0.032 3 0 "[ . 1]"
1 19 DG 0.383 0.057 4 0 "[ . 1]"
1 20 DG 0.014 0.014 1 0 "[ . 1]"
1 21 DG 0.621 0.076 1 0 "[ . 1]"
1 23 DG 0.613 0.079 7 0 "[ . 1]"
1 24 DG 0.723 0.076 1 0 "[ . 1]"
1 25 DG 0.577 0.080 1 0 "[ . 1]"
1 26 DT 0.036 0.019 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 19 DG H1 1 23 DG H8 4.800 3.600 6.000 3.995 3.909 4.127 . 0 0 "[ . 1]" 2
2 1 3 DG H8 1 23 DG H1 4.800 3.600 6.000 5.687 5.037 5.971 . 0 0 "[ . 1]" 2
3 1 3 DG H1 1 7 DG H8 4.800 3.600 6.000 4.350 4.154 4.488 . 0 0 "[ . 1]" 2
4 1 7 DG H1 1 19 DG H8 4.800 3.600 6.000 5.702 5.166 5.943 . 0 0 "[ . 1]" 2
5 1 4 DG H1 1 8 DG H8 4.800 3.600 6.000 4.069 3.921 4.249 . 0 0 "[ . 1]" 2
6 1 8 DG H1 1 20 DG H8 4.800 3.600 6.000 5.555 5.408 5.788 . 0 0 "[ . 1]" 2
7 1 20 DG H1 1 24 DG H8 4.800 3.600 6.000 4.529 4.330 4.805 . 0 0 "[ . 1]" 2
8 1 4 DG H8 1 24 DG H1 4.800 3.600 6.000 5.147 4.952 5.266 . 0 0 "[ . 1]" 2
9 1 5 DG H8 1 25 DG H1 4.800 3.600 6.000 4.418 4.156 4.714 . 0 0 "[ . 1]" 2
10 1 21 DG H1 1 25 DG H8 4.800 3.600 6.000 4.839 4.507 5.066 . 0 0 "[ . 1]" 2
11 1 5 DG H1 1 9 DG H8 4.800 3.600 6.000 5.157 4.422 5.602 . 0 0 "[ . 1]" 2
12 1 9 DG H1 1 21 DG H8 4.800 3.600 6.000 4.606 4.167 4.963 . 0 0 "[ . 1]" 2
13 1 2 DA H2 1 3 DG H1 4.000 2.800 5.200 4.118 3.817 4.708 . 0 0 "[ . 1]" 2
14 1 2 DA H2 1 23 DG H1 4.800 3.600 6.000 3.682 3.584 3.932 0.016 3 0 "[ . 1]" 2
15 1 2 DA H8 1 23 DG H1 4.800 3.600 6.000 5.805 5.750 5.914 . 0 0 "[ . 1]" 2
16 1 23 DG H1 1 24 DG H8 6.000 4.500 7.500 6.661 6.191 7.004 . 0 0 "[ . 1]" 2
17 1 19 DG H1 1 20 DG H8 4.800 3.600 6.000 5.735 5.486 6.014 0.014 1 0 "[ . 1]" 2
18 1 2 DA H2 1 7 DG H1 4.800 3.600 6.000 5.034 4.640 5.425 . 0 0 "[ . 1]" 2
19 1 7 DG H1 1 18 DT H6 4.000 2.800 5.200 4.202 3.680 4.853 . 0 0 "[ . 1]" 2
20 1 3 DG H1 1 19 DG H1 6.000 4.500 7.500 7.467 7.197 7.544 0.044 2 0 "[ . 1]" 2
21 1 19 DG H1 1 20 DG H1 4.000 2.800 5.200 3.401 3.069 3.582 . 0 0 "[ . 1]" 2
22 1 8 DG H1 1 19 DG H1 4.800 3.600 6.000 4.441 4.212 4.576 . 0 0 "[ . 1]" 2
23 1 7 DG H1 1 19 DG H1 4.000 2.800 5.200 4.389 4.224 4.510 . 0 0 "[ . 1]" 2
24 1 3 DG H1 1 23 DG H1 4.800 3.600 6.000 4.216 4.063 4.488 . 0 0 "[ . 1]" 2
25 1 3 DG H1 1 4 DG H1 4.000 2.800 5.200 3.219 3.008 3.496 . 0 0 "[ . 1]" 2
26 1 3 DG H1 1 24 DG H1 4.800 3.600 6.000 4.742 4.509 5.461 . 0 0 "[ . 1]" 2
27 1 4 DG H1 1 7 DG H1 4.800 3.600 6.000 4.522 4.027 5.138 . 0 0 "[ . 1]" 2
28 1 5 DG H1 1 8 DG H1 4.800 3.600 6.000 4.972 4.262 5.769 . 0 0 "[ . 1]" 2
29 1 8 DG H1 1 9 DG H1 4.000 2.800 5.200 3.938 3.582 4.493 . 0 0 "[ . 1]" 2
30 1 23 DG H1 1 24 DG H1 4.000 2.800 5.200 2.817 2.770 2.970 0.030 8 0 "[ . 1]" 2
31 1 21 DG H1 1 24 DG H1 4.800 3.600 6.000 4.019 3.684 4.435 . 0 0 "[ . 1]" 2
32 1 4 DG H1 1 24 DG H1 4.000 2.800 5.200 4.505 4.472 4.547 . 0 0 "[ . 1]" 2
33 1 9 DG H1 1 21 DG H1 4.800 3.600 6.000 4.535 4.501 4.563 . 0 0 "[ . 1]" 2
34 1 20 DG H1 1 23 DG H1 4.800 3.600 6.000 4.216 3.955 4.526 . 0 0 "[ . 1]" 2
35 1 20 DG H1 1 21 DG H1 4.000 2.800 5.200 3.931 3.632 4.372 . 0 0 "[ . 1]" 2
36 1 4 DG H1 1 23 DG H1 6.000 4.500 7.500 5.311 4.987 5.599 . 0 0 "[ . 1]" 2
37 1 5 DG H1 1 9 DG H1 4.800 3.600 6.000 4.330 4.164 4.507 . 0 0 "[ . 1]" 2
38 1 21 DG H1 1 25 DG H1 4.800 3.600 6.000 4.531 4.496 4.547 . 0 0 "[ . 1]" 2
39 1 19 DG H1 1 19 DG H1' 6.000 4.500 7.500 5.881 5.849 5.895 . 0 0 "[ . 1]" 2
40 1 3 DG H1 1 4 DG H1' 6.000 4.500 7.500 5.950 5.525 6.846 . 0 0 "[ . 1]" 2
41 1 7 DG H1 1 18 DT H1' 4.800 3.600 6.000 4.210 3.580 5.323 0.020 6 0 "[ . 1]" 2
42 1 9 DG H1 1 9 DG H1' 6.000 4.500 7.500 5.937 5.892 5.974 . 0 0 "[ . 1]" 2
43 1 2 DA H1' 1 23 DG H1 4.000 2.800 5.200 4.326 4.146 4.528 . 0 0 "[ . 1]" 2
44 1 18 DT C7 1 19 DG H1 6.000 4.500 8.000 7.947 7.812 8.032 0.032 3 0 "[ . 1]" 2
45 1 18 DT H2'' 1 19 DG H1 6.000 4.500 7.500 6.407 5.757 6.813 . 0 0 "[ . 1]" 2
46 1 3 DG H1 1 18 DT C7 4.800 3.600 6.500 5.599 4.786 6.092 . 0 0 "[ . 1]" 2
47 1 7 DG H1 1 18 DT C7 4.000 2.800 5.700 4.695 4.396 5.140 . 0 0 "[ . 1]" 2
48 1 7 DG H1 1 18 DT H2'' 4.000 2.800 5.200 4.774 4.201 5.184 . 0 0 "[ . 1]" 2
49 1 7 DG H1 1 18 DT H2' 4.800 3.600 6.000 5.368 4.534 5.795 . 0 0 "[ . 1]" 2
50 1 8 DG H1 1 10 DT C7 6.000 4.500 8.000 6.231 5.652 7.023 . 0 0 "[ . 1]" 2
51 1 8 DG H1 1 18 DT H2'' 6.000 4.500 7.500 6.435 5.943 6.725 . 0 0 "[ . 1]" 2
52 1 8 DG H1 1 19 DG H2' 6.000 4.500 7.500 6.985 6.582 7.157 . 0 0 "[ . 1]" 2
53 1 8 DG H1 1 19 DG H2'' 6.000 4.500 7.500 7.463 7.337 7.515 0.015 10 0 "[ . 1]" 2
54 1 3 DG H2' 1 24 DG H1 6.000 4.500 7.500 6.447 5.652 7.001 . 0 0 "[ . 1]" 2
55 1 9 DG H1 1 10 DT C7 6.000 4.500 8.000 7.256 6.565 8.026 0.026 3 0 "[ . 1]" 2
56 1 9 DG H1 1 20 DG H2'' 6.000 4.500 7.500 6.269 5.308 6.791 . 0 0 "[ . 1]" 2
57 1 20 DG H1 1 23 DG H2'' 6.000 4.500 7.500 6.435 6.023 6.606 . 0 0 "[ . 1]" 2
58 1 20 DG H1 1 23 DG H2' 6.000 4.500 7.500 4.869 4.636 4.991 . 0 0 "[ . 1]" 2
59 1 4 DG H1 1 18 DT C7 6.000 4.500 8.000 7.247 6.866 7.744 . 0 0 "[ . 1]" 2
60 1 4 DG H1 1 7 DG H2' 6.000 4.500 7.500 5.512 5.231 6.160 . 0 0 "[ . 1]" 2
61 1 25 DG H1 1 26 DT C7 6.000 4.500 8.000 7.221 6.339 8.019 0.019 8 0 "[ . 1]" 2
62 1 5 DG H1 1 9 DG H2' 6.000 4.500 7.500 6.948 6.356 7.231 . 0 0 "[ . 1]" 2
63 1 21 DG H1 1 26 DT C7 4.800 3.600 6.500 5.309 4.303 6.014 . 0 0 "[ . 1]" 2
64 1 2 DA H2'' 1 23 DG H1 4.800 3.600 6.000 5.402 5.252 5.725 . 0 0 "[ . 1]" 2
65 1 2 DA H2' 1 23 DG H1 4.800 3.600 6.000 6.047 6.018 6.079 0.079 7 0 "[ . 1]" 2
66 1 7 DG H1 1 8 DG H8 6.000 4.500 7.500 6.390 6.266 6.530 . 0 0 "[ . 1]" 2
67 1 8 DG H1 1 19 DG H8 4.800 3.600 6.000 5.966 5.675 6.057 0.057 4 0 "[ . 1]" 2
68 1 3 DG H8 1 24 DG H1 4.800 3.600 6.000 5.166 4.382 5.681 . 0 0 "[ . 1]" 2
69 1 20 DG H1 1 21 DG H8 6.000 4.500 7.500 5.629 5.241 5.948 . 0 0 "[ . 1]" 2
70 1 5 DG H1 1 8 DG H8 4.800 3.600 6.000 5.204 4.543 5.650 . 0 0 "[ . 1]" 2
71 1 21 DG H1 1 24 DG H8 4.800 3.600 6.000 5.173 4.973 5.302 . 0 0 "[ . 1]" 2
72 1 25 DG H1 1 26 DT H1' 6.000 4.500 7.500 5.885 4.488 6.673 0.012 9 0 "[ . 1]" 2
73 1 4 DG H1' 1 25 DG H1 4.800 3.600 6.000 6.054 6.016 6.080 0.080 1 0 "[ . 1]" 2
74 1 21 DG H1 1 24 DG H1' 4.800 3.600 6.000 6.062 6.033 6.076 0.076 1 0 "[ . 1]" 2
75 1 5 DG H1 1 8 DG H1' 4.800 3.600 6.000 5.952 5.769 6.048 0.048 6 0 "[ . 1]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 11
_Distance_constraint_stats_list.Viol_count 10
_Distance_constraint_stats_list.Viol_total 4.622
_Distance_constraint_stats_list.Viol_max 0.094
_Distance_constraint_stats_list.Viol_rms 0.0153
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0042
_Distance_constraint_stats_list.Viol_average_violations_only 0.0462
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 7 DG 0.000 0.000 . 0 "[ . 1]"
1 8 DG 0.462 0.094 8 0 "[ . 1]"
1 9 DG 0.000 0.000 . 0 "[ . 1]"
1 10 DT 0.450 0.094 8 0 "[ . 1]"
1 11 DG 0.000 0.000 . 0 "[ . 1]"
1 12 DT 0.012 0.012 3 0 "[ . 1]"
1 13 DA 0.000 0.000 . 0 "[ . 1]"
1 19 DG 0.000 0.000 . 0 "[ . 1]"
1 20 DG 0.000 0.000 . 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 8 DG H1' 1 10 DT H6 8.000 5.000 80.000 4.979 4.906 5.245 0.094 8 0 "[ . 1]" 3
2 1 11 DG H1' 1 20 DG H2'' 8.000 5.000 80.000 15.423 14.595 17.688 . 0 0 "[ . 1]" 3
3 1 9 DG H4' 1 13 DA H1' 8.000 5.000 80.000 17.347 14.442 18.290 . 0 0 "[ . 1]" 3
4 1 13 DA H2' 1 19 DG H4' 8.000 5.000 80.000 14.191 9.086 18.797 . 0 0 "[ . 1]" 3
5 1 13 DA H2'' 1 19 DG H4' 8.000 5.000 80.000 14.466 8.288 18.582 . 0 0 "[ . 1]" 3
6 1 8 DG H4' 1 11 DG H2' 8.000 5.000 80.000 8.016 7.075 9.058 . 0 0 "[ . 1]" 3
7 1 8 DG H4' 1 11 DG H3' 8.000 5.000 80.000 7.161 5.932 8.270 . 0 0 "[ . 1]" 3
8 1 7 DG H1' 1 12 DT H4' 8.000 5.000 80.000 8.551 5.890 11.285 . 0 0 "[ . 1]" 3
9 1 8 DG H4' 1 12 DT H5'' 8.000 5.000 80.000 8.393 4.988 10.684 0.012 3 0 "[ . 1]" 3
10 1 8 DG H4' 1 12 DT H5' 8.000 5.000 80.000 8.174 5.934 11.103 . 0 0 "[ . 1]" 3
11 1 8 DG H4' 1 12 DT H4' 8.000 5.000 80.000 9.900 7.059 12.400 . 0 0 "[ . 1]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 52
_Distance_constraint_stats_list.Viol_count 342
_Distance_constraint_stats_list.Viol_total 82.923
_Distance_constraint_stats_list.Viol_max 0.094
_Distance_constraint_stats_list.Viol_rms 0.0193
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0159
_Distance_constraint_stats_list.Viol_average_violations_only 0.0242
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 DA 1.540 0.094 8 0 "[ . 1]"
1 3 DG 1.251 0.079 4 0 "[ . 1]"
1 4 DG 1.672 0.063 10 0 "[ . 1]"
1 5 DG 0.824 0.052 6 0 "[ . 1]"
1 7 DG 0.928 0.062 5 0 "[ . 1]"
1 8 DG 1.104 0.063 10 0 "[ . 1]"
1 9 DG 0.819 0.055 1 0 "[ . 1]"
1 18 DT 1.540 0.094 8 0 "[ . 1]"
1 19 DG 1.588 0.079 3 0 "[ . 1]"
1 20 DG 0.328 0.030 5 0 "[ . 1]"
1 21 DG 1.089 0.055 1 0 "[ . 1]"
1 23 DG 1.911 0.079 4 0 "[ . 1]"
1 24 DG 0.896 0.049 8 0 "[ . 1]"
1 25 DG 1.094 0.052 6 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 2 DA N1 1 18 DT N3 3.000 2.900 3.100 2.834 2.806 2.883 0.094 8 0 "[ . 1]" 4
2 1 2 DA N1 1 18 DT H3 2.000 . 2.100 2.031 1.974 2.111 0.011 2 0 "[ . 1]" 4
3 1 2 DA N6 1 18 DT O2 3.000 2.900 3.100 3.140 3.123 3.163 0.063 4 0 "[ . 1]" 4
4 1 2 DA H61 1 18 DT O2 2.000 . 2.100 2.146 2.131 2.167 0.067 3 0 "[ . 1]" 4
5 1 3 DG H21 1 7 DG N7 1.990 . 2.090 2.060 2.043 2.080 . 0 0 "[ . 1]" 4
6 1 3 DG N2 1 7 DG N7 2.900 2.800 3.000 3.038 3.010 3.062 0.062 5 0 "[ . 1]" 4
7 1 3 DG H1 1 7 DG O6 1.950 . 2.050 2.055 2.022 2.082 0.032 2 0 "[ . 1]" 4
8 1 3 DG N1 1 7 DG O6 2.950 2.850 3.050 2.832 2.804 2.848 0.046 4 0 "[ . 1]" 4
9 1 7 DG H21 1 19 DG N7 1.990 . 2.090 2.035 1.878 2.109 0.019 5 0 "[ . 1]" 4
10 1 7 DG N2 1 19 DG N7 2.900 2.800 3.000 2.874 2.771 2.955 0.029 3 0 "[ . 1]" 4
11 1 7 DG H1 1 19 DG O6 1.950 . 2.050 2.044 1.934 2.068 0.018 4 0 "[ . 1]" 4
12 1 7 DG N1 1 19 DG O6 2.950 2.850 3.050 3.030 2.904 3.073 0.023 4 0 "[ . 1]" 4
13 1 19 DG H21 1 23 DG N7 1.990 . 2.090 1.859 1.849 1.889 0.041 3 0 "[ . 1]" 4
14 1 19 DG N2 1 23 DG N7 2.900 2.800 3.000 2.801 2.779 2.853 0.021 3 0 "[ . 1]" 4
15 1 19 DG H1 1 23 DG O6 1.950 . 2.050 2.104 2.080 2.129 0.079 3 0 "[ . 1]" 4
16 1 19 DG N1 1 23 DG O6 2.950 2.850 3.050 2.811 2.793 2.838 0.057 5 0 "[ . 1]" 4
17 1 3 DG N7 1 23 DG H21 1.990 . 2.090 1.969 1.811 2.074 0.079 4 0 "[ . 1]" 4
18 1 3 DG N7 1 23 DG N2 2.900 2.800 3.000 2.774 2.747 2.802 0.053 2 0 "[ . 1]" 4
19 1 3 DG O6 1 23 DG H1 1.950 . 2.050 1.943 1.855 2.078 0.028 4 0 "[ . 1]" 4
20 1 3 DG O6 1 23 DG N1 2.950 2.850 3.050 2.915 2.829 3.077 0.027 4 0 "[ . 1]" 4
21 1 4 DG H21 1 8 DG N7 1.990 . 2.090 1.858 1.850 1.865 0.040 9 0 "[ . 1]" 4
22 1 4 DG N2 1 8 DG N7 2.900 2.800 3.000 2.793 2.757 2.838 0.043 9 0 "[ . 1]" 4
23 1 4 DG H1 1 8 DG O6 1.950 . 2.050 2.093 2.063 2.113 0.063 10 0 "[ . 1]" 4
24 1 4 DG N1 1 8 DG O6 2.950 2.850 3.050 2.850 2.823 2.927 0.027 8 0 "[ . 1]" 4
25 1 8 DG H21 1 20 DG N7 1.990 . 2.090 2.025 1.888 2.120 0.030 5 0 "[ . 1]" 4
26 1 8 DG N2 1 20 DG N7 2.900 2.800 3.000 2.944 2.809 3.017 0.017 10 0 "[ . 1]" 4
27 1 8 DG H1 1 20 DG O6 1.950 . 2.050 1.872 1.841 1.939 0.009 7 0 "[ . 1]" 4
28 1 8 DG N1 1 20 DG O6 2.950 2.850 3.050 2.857 2.832 2.930 0.018 5 0 "[ . 1]" 4
29 1 20 DG H21 1 24 DG N7 1.990 . 2.090 1.883 1.865 1.946 0.025 9 0 "[ . 1]" 4
30 1 20 DG N2 1 24 DG N7 2.900 2.800 3.000 2.862 2.840 2.935 . 0 0 "[ . 1]" 4
31 1 20 DG H1 1 24 DG O6 1.950 . 2.050 2.028 1.917 2.066 0.016 9 0 "[ . 1]" 4
32 1 20 DG N1 1 24 DG O6 2.950 2.850 3.050 2.893 2.838 2.973 0.012 3 0 "[ . 1]" 4
33 1 4 DG N7 1 24 DG H21 1.990 . 2.090 1.856 1.841 1.869 0.049 8 0 "[ . 1]" 4
34 1 4 DG N7 1 24 DG N2 2.900 2.800 3.000 2.784 2.764 2.804 0.036 10 0 "[ . 1]" 4
35 1 4 DG O6 1 24 DG H1 1.950 . 2.050 2.060 2.043 2.088 0.038 7 0 "[ . 1]" 4
36 1 4 DG O6 1 24 DG N1 2.950 2.850 3.050 3.058 3.050 3.064 0.014 1 0 "[ . 1]" 4
37 1 5 DG H21 1 9 DG N7 1.990 . 2.090 1.978 1.861 2.084 0.029 8 0 "[ . 1]" 4
38 1 5 DG N2 1 9 DG N7 2.900 2.800 3.000 2.928 2.790 3.030 0.030 4 0 "[ . 1]" 4
39 1 5 DG H1 1 9 DG O6 1.950 . 2.050 1.928 1.844 2.075 0.025 8 0 "[ . 1]" 4
40 1 5 DG N1 1 9 DG O6 2.950 2.850 3.050 2.895 2.827 3.017 0.023 4 0 "[ . 1]" 4
41 1 9 DG H21 1 21 DG N7 1.990 . 2.090 1.884 1.850 2.013 0.040 1 0 "[ . 1]" 4
42 1 9 DG N2 1 21 DG N7 2.900 2.800 3.000 2.877 2.818 3.013 0.013 8 0 "[ . 1]" 4
43 1 9 DG H1 1 21 DG O6 1.950 . 2.050 2.089 2.062 2.105 0.055 1 0 "[ . 1]" 4
44 1 9 DG N1 1 21 DG O6 2.950 2.850 3.050 2.997 2.899 3.059 0.009 4 0 "[ . 1]" 4
45 1 21 DG H21 1 25 DG N7 1.990 . 2.090 1.895 1.845 2.017 0.045 7 0 "[ . 1]" 4
46 1 21 DG N2 1 25 DG N7 2.900 2.800 3.000 2.867 2.821 2.994 . 0 0 "[ . 1]" 4
47 1 21 DG H1 1 25 DG O6 1.950 . 2.050 2.084 2.066 2.097 0.047 1 0 "[ . 1]" 4
48 1 21 DG N1 1 25 DG O6 2.950 2.850 3.050 3.031 2.953 3.060 0.010 7 0 "[ . 1]" 4
49 1 5 DG N7 1 25 DG H21 1.990 . 2.090 1.880 1.838 1.943 0.052 6 0 "[ . 1]" 4
50 1 5 DG N7 1 25 DG N2 2.900 2.800 3.000 2.810 2.777 2.886 0.023 1 0 "[ . 1]" 4
51 1 5 DG O6 1 25 DG H1 1.950 . 2.050 2.081 2.050 2.094 0.044 1 0 "[ . 1]" 4
52 1 5 DG O6 1 25 DG N1 2.950 2.850 3.050 2.873 2.829 3.022 0.021 9 0 "[ . 1]" 4
stop_
save_
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