NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
649481 |
6kfj   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6kfj
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 161
_Distance_constraint_stats_list.Viol_count 209
_Distance_constraint_stats_list.Viol_total 76.213
_Distance_constraint_stats_list.Viol_max 0.081
_Distance_constraint_stats_list.Viol_rms 0.0087
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0243
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 DT 0.690 0.059 6 0 "[ . 1 .]"
1 2 DT 1.202 0.059 6 0 "[ . 1 .]"
1 3 DA 0.512 0.053 11 0 "[ . 1 .]"
1 4 DG 0.000 0.000 . 0 "[ . 1 .]"
1 5 DG 0.436 0.032 6 0 "[ . 1 .]"
1 6 DG 0.199 0.023 11 0 "[ . 1 .]"
1 8 DT 0.000 0.000 . 0 "[ . 1 .]"
1 9 DA 0.610 0.051 15 0 "[ . 1 .]"
1 10 DG 1.074 0.081 15 0 "[ . 1 .]"
1 11 DG 0.679 0.047 10 0 "[ . 1 .]"
1 12 DG 0.012 0.008 10 0 "[ . 1 .]"
1 14 DT 0.374 0.027 11 0 "[ . 1 .]"
1 15 DA 0.637 0.027 11 0 "[ . 1 .]"
1 16 DG 0.229 0.022 9 0 "[ . 1 .]"
1 17 DG 0.496 0.047 10 0 "[ . 1 .]"
1 18 DG 0.881 0.081 15 0 "[ . 1 .]"
1 22 DG 0.067 0.013 5 0 "[ . 1 .]"
1 23 DG 0.272 0.032 6 0 "[ . 1 .]"
1 24 DG 0.000 0.000 5 0 "[ . 1 .]"
1 25 DT 0.591 0.068 12 0 "[ . 1 .]"
1 26 DT 0.591 0.068 12 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 DT H1' 1 2 DT H6 3.800 3.000 4.600 4.543 4.486 4.618 0.018 15 0 "[ . 1 .]" 1
2 1 1 DT H2' 1 2 DT H6 2.500 . 3.000 2.841 2.797 2.910 . 0 0 "[ . 1 .]" 1
3 1 1 DT H2'' 1 2 DT H6 2.500 . 3.000 2.697 2.597 2.880 . 0 0 "[ . 1 .]" 1
4 1 1 DT H6 1 2 DT H6 4.800 3.900 5.700 5.744 5.733 5.759 0.059 6 0 "[ . 1 .]" 1
5 1 2 DT H1' 1 3 DA H8 4.300 3.500 5.100 4.717 4.604 4.776 . 0 0 "[ . 1 .]" 1
6 1 2 DT H2' 1 3 DA H8 2.800 2.300 3.300 2.568 2.473 2.682 . 0 0 "[ . 1 .]" 1
7 1 2 DT H2'' 1 3 DA H8 2.500 . 3.000 2.697 2.647 2.740 . 0 0 "[ . 1 .]" 1
8 1 2 DT H3' 1 3 DA H8 4.330 3.830 4.830 3.969 3.853 4.110 . 0 0 "[ . 1 .]" 1
9 1 2 DT H6 1 3 DA H8 4.800 3.900 5.700 5.727 5.596 5.753 0.053 11 0 "[ . 1 .]" 1
10 1 4 DG H1 1 12 DG H1 4.270 3.420 5.120 4.571 4.562 4.580 . 0 0 "[ . 1 .]" 1
11 1 4 DG H1 1 15 DA H2 6.000 5.010 6.990 5.904 5.687 6.065 . 0 0 "[ . 1 .]" 1
12 1 4 DG H1 1 22 DG H1 4.420 3.600 5.240 4.464 4.415 4.493 . 0 0 "[ . 1 .]" 1
13 1 4 DG H1 1 22 DG H8 4.900 3.910 5.890 5.281 5.165 5.401 . 0 0 "[ . 1 .]" 1
14 1 4 DG H1' 1 4 DG H8 2.560 2.050 3.070 2.598 2.597 2.600 . 0 0 "[ . 1 .]" 1
15 1 4 DG H1' 1 5 DG H8 4.200 3.400 5.000 4.305 4.268 4.327 . 0 0 "[ . 1 .]" 1
16 1 4 DG H2' 1 4 DG H8 4.500 3.600 5.400 4.250 4.233 4.271 . 0 0 "[ . 1 .]" 1
17 1 4 DG H2' 1 5 DG H8 3.140 2.490 3.790 2.710 2.680 2.741 . 0 0 "[ . 1 .]" 1
18 1 4 DG H2'' 1 4 DG H8 4.230 3.380 5.080 4.024 3.996 4.052 . 0 0 "[ . 1 .]" 1
19 1 4 DG H2'' 1 5 DG H8 2.440 2.040 2.840 2.448 2.437 2.457 . 0 0 "[ . 1 .]" 1
20 1 4 DG H3' 1 4 DG H8 6.000 4.800 7.200 6.032 6.023 6.042 . 0 0 "[ . 1 .]" 1
21 1 4 DG H3' 1 5 DG H8 5.050 4.010 6.090 4.304 4.260 4.356 . 0 0 "[ . 1 .]" 1
22 1 4 DG H4' 1 4 DG H8 5.300 4.240 6.360 5.708 5.685 5.730 . 0 0 "[ . 1 .]" 1
23 1 4 DG H8 1 5 DG H1' 4.000 3.200 4.800 4.026 4.007 4.053 . 0 0 "[ . 1 .]" 1
24 1 4 DG H8 1 5 DG H4' 4.000 3.160 4.840 4.611 4.566 4.649 . 0 0 "[ . 1 .]" 1
25 1 4 DG H8 1 12 DG H1 4.970 4.030 5.910 4.679 4.620 4.740 . 0 0 "[ . 1 .]" 1
26 1 5 DG H1 1 11 DG H1 4.130 3.260 5.000 4.494 4.474 4.518 . 0 0 "[ . 1 .]" 1
27 1 5 DG H1 1 11 DG H8 5.200 4.300 6.100 5.329 5.255 5.386 . 0 0 "[ . 1 .]" 1
28 1 5 DG H1 1 23 DG H1 4.400 3.560 5.240 4.528 4.522 4.533 . 0 0 "[ . 1 .]" 1
29 1 5 DG H1' 1 5 DG H8 3.570 2.860 4.280 3.926 3.924 3.929 . 0 0 "[ . 1 .]" 1
30 1 5 DG H1' 1 6 DG H8 3.800 3.020 4.580 3.740 3.655 3.865 . 0 0 "[ . 1 .]" 1
31 1 5 DG H2' 1 5 DG H8 3.100 2.480 3.720 2.550 2.537 2.575 . 0 0 "[ . 1 .]" 1
32 1 5 DG H2' 1 6 DG H8 2.420 . 2.900 2.912 2.877 2.923 0.023 11 0 "[ . 1 .]" 1
33 1 5 DG H2'' 1 5 DG H8 4.000 3.200 4.800 4.108 4.098 4.125 . 0 0 "[ . 1 .]" 1
34 1 5 DG H2'' 1 6 DG H8 2.600 2.140 3.060 2.525 2.496 2.569 . 0 0 "[ . 1 .]" 1
35 1 5 DG H3' 1 5 DG H8 3.800 3.040 4.560 3.163 3.110 3.220 . 0 0 "[ . 1 .]" 1
36 1 5 DG H3' 1 6 DG H8 5.150 4.170 6.130 4.956 4.910 4.973 . 0 0 "[ . 1 .]" 1
37 1 5 DG H4' 1 5 DG H8 4.800 3.840 5.760 4.938 4.926 4.953 . 0 0 "[ . 1 .]" 1
38 1 5 DG H8 1 23 DG H1 4.200 3.400 5.000 5.016 5.005 5.032 0.032 6 0 "[ . 1 .]" 1
39 1 6 DG H1 1 10 DG H1 4.500 3.610 5.390 4.582 4.551 4.601 . 0 0 "[ . 1 .]" 1
40 1 6 DG H1 1 10 DG H8 4.530 4.050 5.010 4.752 4.643 4.857 . 0 0 "[ . 1 .]" 1
41 1 6 DG H1 1 24 DG H1 4.200 3.390 5.010 4.360 4.339 4.376 . 0 0 "[ . 1 .]" 1
42 1 6 DG H1' 1 6 DG H8 4.000 3.200 4.800 3.883 3.879 3.892 . 0 0 "[ . 1 .]" 1
43 1 6 DG H2' 1 6 DG H8 3.000 2.260 3.740 2.994 2.923 3.022 . 0 0 "[ . 1 .]" 1
44 1 6 DG H2'' 1 6 DG H8 4.000 3.200 4.800 4.407 4.362 4.426 . 0 0 "[ . 1 .]" 1
45 1 6 DG H3' 1 6 DG H8 4.200 3.360 5.040 4.017 3.960 4.065 . 0 0 "[ . 1 .]" 1
46 1 6 DG H4' 1 6 DG H8 5.000 3.960 6.040 4.626 4.616 4.645 . 0 0 "[ . 1 .]" 1
47 1 6 DG H8 1 24 DG H1 5.200 4.730 5.670 5.526 5.464 5.601 . 0 0 "[ . 1 .]" 1
48 1 8 DT H1' 1 8 DT H6 3.500 3.000 4.000 3.728 3.725 3.735 . 0 0 "[ . 1 .]" 1
49 1 8 DT H2' 1 8 DT H6 3.340 2.440 4.240 2.936 2.895 2.956 . 0 0 "[ . 1 .]" 1
50 1 8 DT H2'' 1 8 DT H6 4.000 3.200 4.800 4.292 4.268 4.303 . 0 0 "[ . 1 .]" 1
51 1 8 DT H3' 1 8 DT H6 3.700 2.810 4.590 3.796 3.770 3.877 . 0 0 "[ . 1 .]" 1
52 1 8 DT H4' 1 8 DT H6 4.140 3.030 5.250 4.430 4.377 4.457 . 0 0 "[ . 1 .]" 1
53 1 8 DT O2 1 25 DT O4 4.810 3.570 6.050 4.237 4.201 4.263 . 0 0 "[ . 1 .]" 1
54 1 9 DA H1' 1 9 DA H8 3.460 2.960 3.960 3.751 3.741 3.758 . 0 0 "[ . 1 .]" 1
55 1 9 DA H2' 1 9 DA H8 4.500 3.600 5.400 3.602 3.588 3.629 0.012 14 0 "[ . 1 .]" 1
56 1 9 DA H2'' 1 9 DA H8 4.880 3.980 5.780 4.751 4.744 4.765 . 0 0 "[ . 1 .]" 1
57 1 9 DA H3' 1 9 DA H8 5.880 4.690 7.070 4.652 4.639 4.678 0.051 15 0 "[ . 1 .]" 1
58 1 9 DA H4' 1 9 DA H8 5.550 4.440 6.660 4.636 4.625 4.675 . 0 0 "[ . 1 .]" 1
59 1 10 DG H1 1 18 DG H1 4.200 3.250 5.150 4.412 4.378 4.438 . 0 0 "[ . 1 .]" 1
60 1 10 DG H1 1 18 DG H8 4.800 4.360 5.240 5.299 5.263 5.321 0.081 15 0 "[ . 1 .]" 1
61 1 10 DG H1' 1 10 DG H8 2.500 . 3.000 2.655 2.629 2.692 . 0 0 "[ . 1 .]" 1
62 1 10 DG H2' 1 10 DG H8 4.500 3.600 5.400 4.621 4.582 4.664 . 0 0 "[ . 1 .]" 1
63 1 10 DG H2'' 1 10 DG H8 4.000 3.200 4.800 4.494 4.415 4.608 . 0 0 "[ . 1 .]" 1
64 1 10 DG H3' 1 10 DG H8 5.880 4.690 7.070 6.152 6.148 6.156 . 0 0 "[ . 1 .]" 1
65 1 10 DG H4' 1 10 DG H8 5.550 4.440 6.660 5.352 5.278 5.417 . 0 0 "[ . 1 .]" 1
66 1 10 DG H8 1 11 DG H1' 4.690 3.710 5.670 3.975 3.671 4.318 0.039 10 0 "[ . 1 .]" 1
67 1 10 DG H8 1 11 DG H4' 5.410 4.410 6.410 4.925 4.834 5.004 . 0 0 "[ . 1 .]" 1
68 1 11 DG H1 1 17 DG H1 4.240 3.330 5.150 4.479 4.469 4.487 . 0 0 "[ . 1 .]" 1
69 1 11 DG H1 1 17 DG H8 4.250 3.450 5.050 5.082 5.069 5.097 0.047 10 0 "[ . 1 .]" 1
70 1 11 DG H1' 1 11 DG H8 2.560 . 3.140 2.706 2.651 2.768 . 0 0 "[ . 1 .]" 1
71 1 11 DG H1' 1 12 DG H8 4.600 3.890 5.310 4.890 4.674 5.151 . 0 0 "[ . 1 .]" 1
72 1 11 DG H2' 1 11 DG H8 4.200 3.380 5.000 3.778 3.606 3.932 . 0 0 "[ . 1 .]" 1
73 1 11 DG H2' 1 12 DG H8 2.930 2.400 3.460 2.464 2.407 2.521 . 0 0 "[ . 1 .]" 1
74 1 11 DG H2'' 1 11 DG H8 3.470 2.850 4.090 3.441 3.306 3.566 . 0 0 "[ . 1 .]" 1
75 1 11 DG H2'' 1 12 DG H8 3.030 2.410 3.650 3.085 2.767 3.448 . 0 0 "[ . 1 .]" 1
76 1 11 DG H3' 1 11 DG H8 5.290 4.250 6.330 5.720 5.605 5.820 . 0 0 "[ . 1 .]" 1
77 1 11 DG H3' 1 12 DG H8 4.680 3.710 5.650 4.055 3.876 4.191 . 0 0 "[ . 1 .]" 1
78 1 11 DG H4' 1 11 DG H8 4.900 3.920 5.880 5.723 5.616 5.836 . 0 0 "[ . 1 .]" 1
79 1 11 DG H8 1 12 DG H1' 3.530 2.830 4.230 3.820 3.687 3.985 . 0 0 "[ . 1 .]" 1
80 1 11 DG H8 1 12 DG H4' 5.140 4.300 5.980 5.483 5.325 5.666 . 0 0 "[ . 1 .]" 1
81 1 12 DG H1 1 16 DG H1 4.250 3.360 5.140 4.456 4.372 4.505 . 0 0 "[ . 1 .]" 1
82 1 12 DG H1' 1 12 DG H8 3.710 2.970 4.450 3.859 3.838 3.885 . 0 0 "[ . 1 .]" 1
83 1 12 DG H2' 1 12 DG H8 3.000 2.400 3.600 3.251 2.975 3.454 . 0 0 "[ . 1 .]" 1
84 1 12 DG H2' 1 15 DA H8 4.500 3.610 5.390 4.409 3.800 5.067 . 0 0 "[ . 1 .]" 1
85 1 12 DG H2'' 1 12 DG H8 4.000 3.200 4.800 4.520 4.393 4.601 . 0 0 "[ . 1 .]" 1
86 1 12 DG H3' 1 12 DG H8 3.960 3.170 4.750 3.593 3.229 4.124 . 0 0 "[ . 1 .]" 1
87 1 12 DG H4' 1 12 DG H8 5.330 4.260 6.400 4.502 4.413 4.667 . 0 0 "[ . 1 .]" 1
88 1 12 DG H8 1 15 DA H2' 4.640 3.750 5.530 4.704 4.236 5.134 . 0 0 "[ . 1 .]" 1
89 1 12 DG H8 1 15 DA H8 4.740 3.950 5.530 4.317 3.942 4.783 0.008 10 0 "[ . 1 .]" 1
90 1 12 DG H8 1 16 DG H1 5.220 4.280 6.160 5.295 5.159 5.453 . 0 0 "[ . 1 .]" 1
91 1 14 DT H1' 1 15 DA H8 4.960 3.960 5.960 5.974 5.954 5.987 0.027 11 0 "[ . 1 .]" 1
92 1 14 DT H2' 1 15 DA H8 2.780 2.280 3.280 3.016 2.998 3.039 . 0 0 "[ . 1 .]" 1
93 1 14 DT H2'' 1 15 DA H8 4.100 3.600 4.600 4.398 4.266 4.496 . 0 0 "[ . 1 .]" 1
94 1 14 DT H3' 1 15 DA H8 3.700 3.160 4.240 3.191 3.138 3.571 0.022 8 0 "[ . 1 .]" 1
95 1 15 DA H2 1 16 DG H1 5.560 4.770 6.350 4.755 4.748 4.765 0.022 9 0 "[ . 1 .]" 1
96 1 15 DA H2 1 22 DG H1 5.790 4.800 6.780 4.858 4.787 5.018 0.013 5 0 "[ . 1 .]" 1
97 1 16 DG H1 1 22 DG H1 4.500 3.670 5.330 4.606 4.584 4.627 . 0 0 "[ . 1 .]" 1
98 1 16 DG H1' 1 16 DG H8 2.500 . 3.000 2.624 2.618 2.629 . 0 0 "[ . 1 .]" 1
99 1 16 DG H1' 1 17 DG H8 3.950 3.150 4.750 4.552 4.510 4.609 . 0 0 "[ . 1 .]" 1
100 1 16 DG H2' 1 16 DG H8 4.800 3.840 5.760 4.053 4.017 4.093 . 0 0 "[ . 1 .]" 1
101 1 16 DG H2' 1 17 DG H8 2.800 2.280 3.320 2.547 2.512 2.581 . 0 0 "[ . 1 .]" 1
102 1 16 DG H2'' 1 16 DG H8 4.000 3.200 4.800 3.649 3.590 3.726 . 0 0 "[ . 1 .]" 1
103 1 16 DG H2'' 1 17 DG H8 2.400 . 2.800 2.543 2.516 2.579 . 0 0 "[ . 1 .]" 1
104 1 16 DG H3' 1 16 DG H8 6.000 4.800 7.200 5.893 5.861 5.934 . 0 0 "[ . 1 .]" 1
105 1 16 DG H3' 1 17 DG H8 4.540 3.610 5.470 4.026 3.974 4.084 . 0 0 "[ . 1 .]" 1
106 1 16 DG H4' 1 16 DG H8 5.420 4.340 6.500 5.728 5.639 5.817 . 0 0 "[ . 1 .]" 1
107 1 16 DG H8 1 17 DG H1' 3.400 2.690 4.110 3.519 3.407 3.629 . 0 0 "[ . 1 .]" 1
108 1 16 DG H8 1 17 DG H4' 4.000 3.230 4.770 4.571 4.443 4.780 0.010 11 0 "[ . 1 .]" 1
109 1 16 DG H8 1 22 DG H1 4.600 3.660 5.540 4.470 4.387 4.571 . 0 0 "[ . 1 .]" 1
110 1 17 DG H1 1 23 DG H1 4.400 3.500 5.300 4.439 4.419 4.468 . 0 0 "[ . 1 .]" 1
111 1 17 DG H1 1 23 DG H8 5.000 4.060 5.940 5.359 5.296 5.429 . 0 0 "[ . 1 .]" 1
112 1 17 DG H1' 1 17 DG H8 3.780 3.070 4.490 3.906 3.892 3.922 . 0 0 "[ . 1 .]" 1
113 1 17 DG H1' 1 18 DG H8 3.800 3.040 4.560 4.155 4.044 4.358 . 0 0 "[ . 1 .]" 1
114 1 17 DG H2' 1 17 DG H8 3.100 2.480 3.720 2.874 2.701 2.994 . 0 0 "[ . 1 .]" 1
115 1 17 DG H2' 1 18 DG H8 2.460 . 2.920 2.696 2.618 2.802 . 0 0 "[ . 1 .]" 1
116 1 17 DG H2'' 1 17 DG H8 4.300 3.470 5.130 4.323 4.206 4.401 . 0 0 "[ . 1 .]" 1
117 1 17 DG H2'' 1 18 DG H8 2.900 2.500 3.300 2.774 2.588 3.026 . 0 0 "[ . 1 .]" 1
118 1 17 DG H3' 1 17 DG H8 4.270 3.370 5.170 3.734 3.529 3.947 . 0 0 "[ . 1 .]" 1
119 1 17 DG H3' 1 18 DG H8 4.400 3.530 5.270 4.727 4.628 4.873 . 0 0 "[ . 1 .]" 1
120 1 17 DG H4' 1 17 DG H8 5.520 4.420 6.620 4.831 4.758 4.915 . 0 0 "[ . 1 .]" 1
121 1 18 DG H1 1 24 DG H1 4.330 3.440 5.220 4.550 4.517 4.571 . 0 0 "[ . 1 .]" 1
122 1 18 DG H1 1 24 DG H8 4.500 4.110 4.890 4.774 4.720 4.890 0.000 5 0 "[ . 1 .]" 1
123 1 18 DG H1' 1 18 DG H8 3.890 3.110 4.670 3.777 3.752 3.815 . 0 0 "[ . 1 .]" 1
124 1 18 DG H2' 1 18 DG H8 3.420 2.790 4.050 3.481 3.316 3.597 . 0 0 "[ . 1 .]" 1
125 1 18 DG H2'' 1 18 DG H8 4.110 3.290 4.930 4.684 4.592 4.743 . 0 0 "[ . 1 .]" 1
126 1 18 DG H3' 1 18 DG H8 4.760 3.860 5.660 4.507 4.369 4.644 . 0 0 "[ . 1 .]" 1
127 1 18 DG H4' 1 18 DG H8 4.900 3.900 5.900 4.470 4.356 4.597 . 0 0 "[ . 1 .]" 1
128 1 22 DG H1' 1 22 DG H8 2.530 2.020 3.040 2.618 2.598 2.647 . 0 0 "[ . 1 .]" 1
129 1 22 DG H1' 1 23 DG H8 3.900 3.260 4.540 4.438 4.336 4.549 0.009 3 0 "[ . 1 .]" 1
130 1 22 DG H2' 1 22 DG H8 4.380 3.520 5.240 4.072 3.936 4.187 . 0 0 "[ . 1 .]" 1
131 1 22 DG H2' 1 23 DG H8 3.190 2.370 4.010 2.591 2.532 2.647 . 0 0 "[ . 1 .]" 1
132 1 22 DG H2'' 1 22 DG H8 4.420 3.480 5.360 3.727 3.564 3.860 . 0 0 "[ . 1 .]" 1
133 1 22 DG H2'' 1 23 DG H8 2.890 2.380 3.400 2.526 2.492 2.572 . 0 0 "[ . 1 .]" 1
134 1 22 DG H3' 1 22 DG H8 6.000 4.800 7.200 5.899 5.807 5.975 . 0 0 "[ . 1 .]" 1
135 1 22 DG H3' 1 23 DG H8 5.080 4.060 6.100 4.184 4.047 4.300 0.013 13 0 "[ . 1 .]" 1
136 1 22 DG H4' 1 22 DG H8 5.560 4.440 6.680 5.685 5.640 5.719 . 0 0 "[ . 1 .]" 1
137 1 22 DG H8 1 23 DG H1' 3.800 2.990 4.610 3.705 3.596 3.797 . 0 0 "[ . 1 .]" 1
138 1 22 DG H8 1 23 DG H4' 4.400 3.520 5.280 4.731 4.648 4.796 . 0 0 "[ . 1 .]" 1
139 1 23 DG H1' 1 23 DG H8 3.880 3.090 4.670 3.903 3.898 3.907 . 0 0 "[ . 1 .]" 1
140 1 23 DG H1' 1 24 DG H8 3.700 3.070 4.330 4.141 4.097 4.187 . 0 0 "[ . 1 .]" 1
141 1 23 DG H2' 1 23 DG H8 2.600 2.020 3.180 2.839 2.791 2.875 . 0 0 "[ . 1 .]" 1
142 1 23 DG H2' 1 24 DG H8 2.600 2.080 3.120 2.653 2.632 2.697 . 0 0 "[ . 1 .]" 1
143 1 23 DG H2'' 1 23 DG H8 3.940 3.150 4.730 4.298 4.265 4.324 . 0 0 "[ . 1 .]" 1
144 1 23 DG H2'' 1 24 DG H8 2.500 . 3.020 2.587 2.540 2.668 . 0 0 "[ . 1 .]" 1
145 1 23 DG H3' 1 23 DG H8 3.600 2.880 4.320 3.832 3.788 3.869 . 0 0 "[ . 1 .]" 1
146 1 23 DG H3' 1 24 DG H8 4.640 3.690 5.590 4.550 4.504 4.589 . 0 0 "[ . 1 .]" 1
147 1 23 DG H4' 1 23 DG H8 4.500 3.600 5.400 4.790 4.777 4.804 . 0 0 "[ . 1 .]" 1
148 1 24 DG H1' 1 24 DG H8 3.880 3.090 4.670 3.901 3.897 3.904 . 0 0 "[ . 1 .]" 1
149 1 24 DG H2' 1 24 DG H8 3.200 2.560 3.840 2.824 2.776 2.885 . 0 0 "[ . 1 .]" 1
150 1 24 DG H2'' 1 24 DG H8 4.600 3.680 5.520 4.281 4.246 4.323 . 0 0 "[ . 1 .]" 1
151 1 24 DG H3' 1 24 DG H8 4.030 3.230 4.830 4.072 4.036 4.096 . 0 0 "[ . 1 .]" 1
152 1 24 DG H4' 1 24 DG H8 5.100 4.080 6.120 4.768 4.745 4.798 . 0 0 "[ . 1 .]" 1
153 1 25 DT H1' 1 25 DT H6 3.650 2.990 4.310 3.739 3.733 3.751 . 0 0 "[ . 1 .]" 1
154 1 25 DT H1' 1 26 DT H6 3.800 3.000 4.600 4.600 4.547 4.668 0.068 12 0 "[ . 1 .]" 1
155 1 25 DT H2' 1 25 DT H6 3.000 2.360 3.640 2.847 2.765 2.880 . 0 0 "[ . 1 .]" 1
156 1 25 DT H2' 1 26 DT H6 2.500 . 3.000 3.024 3.009 3.031 0.031 4 0 "[ . 1 .]" 1
157 1 25 DT H2'' 1 25 DT H6 4.300 3.460 5.140 4.233 4.183 4.254 . 0 0 "[ . 1 .]" 1
158 1 25 DT H2'' 1 26 DT H6 2.500 . 3.000 2.631 2.504 2.674 . 0 0 "[ . 1 .]" 1
159 1 25 DT H3' 1 25 DT H6 3.740 3.000 4.480 3.748 3.674 3.842 . 0 0 "[ . 1 .]" 1
160 1 25 DT H4' 1 25 DT H6 4.300 3.420 5.180 4.420 4.395 4.460 . 0 0 "[ . 1 .]" 1
161 1 25 DT H6 1 26 DT H6 4.800 3.900 5.700 5.694 5.572 5.742 0.042 12 0 "[ . 1 .]" 1
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