NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
432377 |
2jsk   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jsk
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 247
_Distance_constraint_stats_list.Viol_count 206
_Distance_constraint_stats_list.Viol_total 155.250
_Distance_constraint_stats_list.Viol_max 0.436
_Distance_constraint_stats_list.Viol_rms 0.0359
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0063
_Distance_constraint_stats_list.Viol_average_violations_only 0.0754
_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 3.149 0.204 7 0 "[ . 1]"
1 2 DA 3.153 0.436 7 0 "[ . 1]"
1 3 DG 0.000 0.000 . 0 "[ . 1]"
1 4 DG 0.588 0.070 1 0 "[ . 1]"
1 5 DG 0.432 0.059 6 0 "[ . 1]"
1 6 DT 0.428 0.066 5 0 "[ . 1]"
1 7 DT 0.034 0.017 3 0 "[ . 1]"
1 8 DA 0.069 0.024 2 0 "[ . 1]"
1 9 DG 1.310 0.190 7 0 "[ . 1]"
1 10 DG 0.259 0.037 2 0 "[ . 1]"
1 11 DG 0.000 0.000 . 0 "[ . 1]"
1 12 DT 4.043 0.390 2 0 "[ . 1]"
1 13 DT 4.471 0.390 2 0 "[ . 1]"
1 14 DA 0.212 0.037 8 0 "[ . 1]"
1 15 DG 0.000 0.000 . 0 "[ . 1]"
1 16 BGM 0.000 0.000 . 0 "[ . 1]"
1 17 DG 0.113 0.056 2 0 "[ . 1]"
1 18 DT 0.834 0.095 1 0 "[ . 1]"
1 19 DT 1.165 0.173 1 0 "[ . 1]"
1 20 DA 0.113 0.056 2 0 "[ . 1]"
1 21 DG 1.016 0.113 4 0 "[ . 1]"
1 22 DG 0.867 0.084 8 0 "[ . 1]"
1 23 DG 0.176 0.024 2 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 H3' 1 1 DT H6 3.830 2.680 4.980 4.783 4.434 4.937 . 0 0 "[ . 1]" 1
2 1 1 DT H4' 1 1 DT H6 4.240 2.970 5.510 4.187 4.108 4.642 . 0 0 "[ . 1]" 1
3 1 1 DT Q5' 1 1 DT H6 3.520 2.470 4.460 2.853 2.403 3.144 0.067 3 0 "[ . 1]" 1
4 1 1 DT H2'' 1 1 DT H6 3.310 2.320 4.300 4.394 3.951 4.504 0.204 7 0 "[ . 1]" 1
5 1 1 DT H1' 1 1 DT H2' 2.910 2.040 3.780 3.057 3.054 3.068 . 0 0 "[ . 1]" 1
6 1 1 DT H1' 1 1 DT H2'' 2.590 . 3.370 2.412 2.400 2.446 . 0 0 "[ . 1]" 1
7 1 1 DT H2' 1 1 DT H6 2.800 . 3.640 3.291 2.626 3.505 . 0 0 "[ . 1]" 1
8 1 1 DT H1' 1 1 DT H6 2.970 2.080 3.860 3.538 3.448 3.727 . 0 0 "[ . 1]" 1
9 1 1 DT H2'' 1 1 DT H3' 2.850 . 3.700 2.677 2.661 2.729 . 0 0 "[ . 1]" 1
10 1 1 DT H2' 1 1 DT H3' 2.490 . 3.240 2.407 2.382 2.427 . 0 0 "[ . 1]" 1
11 1 1 DT H3' 1 1 DT Q5' 2.990 2.090 3.660 2.469 2.193 2.724 . 0 0 "[ . 1]" 1
12 1 1 DT H1' 1 2 DA Q5' 4.370 3.060 5.150 3.681 3.244 4.221 . 0 0 "[ . 1]" 1
13 1 1 DT H1' 1 2 DA H8 4.220 2.950 5.490 4.364 2.965 4.958 . 0 0 "[ . 1]" 1
14 1 1 DT H2'' 1 2 DA H8 3.170 2.220 4.120 3.010 2.844 3.296 . 0 0 "[ . 1]" 1
15 1 1 DT H3' 1 2 DA H8 3.950 2.770 5.130 5.202 5.188 5.234 0.104 3 0 "[ . 1]" 1
16 1 1 DT H2' 1 2 DA H8 3.780 2.650 4.910 4.437 4.155 4.925 0.015 2 0 "[ . 1]" 1
17 1 1 DT H6 1 9 DG Q5' 3.890 2.720 5.060 2.697 2.530 3.465 0.190 7 0 "[ . 1]" 1
18 1 2 DA H1' 1 2 DA H2' 3.130 2.190 4.070 3.069 3.068 3.071 . 0 0 "[ . 1]" 1
19 1 2 DA H4' 1 2 DA H8 4.560 3.190 5.930 4.954 4.800 5.057 . 0 0 "[ . 1]" 1
20 1 2 DA H1' 1 2 DA H2 4.480 3.140 5.820 4.463 4.423 4.616 . 0 0 "[ . 1]" 1
21 1 2 DA H3' 1 2 DA Q5' 2.920 2.420 3.800 2.591 2.148 2.760 0.272 3 0 "[ . 1]" 1
22 1 2 DA H1' 1 2 DA H8 3.770 2.640 4.900 3.897 3.799 3.925 . 0 0 "[ . 1]" 1
23 1 2 DA H2'' 1 2 DA H3' 2.640 . 3.430 2.702 2.679 2.736 . 0 0 "[ . 1]" 1
24 1 2 DA H3' 1 2 DA H8 5.060 3.540 6.580 4.765 4.618 5.141 . 0 0 "[ . 1]" 1
25 1 2 DA Q5' 1 2 DA H8 3.700 3.520 4.810 3.582 3.084 4.148 0.436 7 0 "[ . 1]" 1
26 1 2 DA H2' 1 2 DA H3' 2.370 . 3.080 2.413 2.389 2.430 . 0 0 "[ . 1]" 1
27 1 2 DA Q5' 1 3 DG H8 4.010 2.810 5.210 3.652 3.178 4.649 . 0 0 "[ . 1]" 1
28 1 2 DA H1' 1 21 DG H8 4.630 3.240 6.020 5.295 5.072 5.540 . 0 0 "[ . 1]" 1
29 1 3 DG H1' 1 3 DG H2'' 2.480 . 3.230 2.434 2.428 2.446 . 0 0 "[ . 1]" 1
30 1 3 DG H2' 1 3 DG H3' 2.540 . 3.300 2.419 2.411 2.423 . 0 0 "[ . 1]" 1
31 1 3 DG H1' 1 3 DG H8 2.480 . 3.220 2.540 2.511 2.565 . 0 0 "[ . 1]" 1
32 1 3 DG H2' 1 3 DG H8 4.680 3.280 6.080 4.680 4.604 4.714 . 0 0 "[ . 1]" 1
33 1 3 DG H2'' 1 3 DG H3' 2.790 . 3.630 2.700 2.698 2.707 . 0 0 "[ . 1]" 1
34 1 3 DG H2'' 1 4 DG H8 2.460 . 3.200 2.194 2.097 2.290 . 0 0 "[ . 1]" 1
35 1 3 DG H2' 1 4 DG H8 2.960 2.070 3.850 3.442 3.182 3.591 . 0 0 "[ . 1]" 1
36 1 3 DG H3' 1 4 DG H8 4.130 2.890 5.370 4.875 4.777 4.982 . 0 0 "[ . 1]" 1
37 1 3 DG H8 1 4 DG H1' 3.560 2.490 4.630 3.810 3.153 4.008 . 0 0 "[ . 1]" 1
38 1 3 DG H1' 1 4 DG H8 3.410 2.390 4.430 3.355 3.257 3.528 . 0 0 "[ . 1]" 1
39 1 4 DG H1' 1 4 DG H8 3.750 2.620 4.880 3.880 3.846 3.885 . 0 0 "[ . 1]" 1
40 1 4 DG H3' 1 4 DG H8 3.250 2.270 4.230 4.247 3.808 4.300 0.070 1 0 "[ . 1]" 1
41 1 4 DG H4' 1 4 DG H8 4.050 2.840 5.260 4.874 4.743 4.908 . 0 0 "[ . 1]" 1
42 1 4 DG H1' 1 4 DG H2' 2.690 . 3.500 3.052 2.996 3.060 . 0 0 "[ . 1]" 1
43 1 4 DG H1' 1 4 DG H2'' 2.400 . 3.120 2.404 2.336 2.414 . 0 0 "[ . 1]" 1
44 1 4 DG H1' 1 5 DG H8 3.280 2.300 4.260 3.574 3.442 4.137 . 0 0 "[ . 1]" 1
45 1 4 DG H2'' 1 5 DG H8 2.450 . 3.190 2.041 1.996 2.161 . 0 0 "[ . 1]" 1
46 1 5 DG H3' 1 5 DG H8 3.340 2.340 4.340 4.383 4.371 4.399 0.059 6 0 "[ . 1]" 1
47 1 5 DG H4' 1 5 DG H8 4.160 2.910 5.410 4.931 4.836 4.960 . 0 0 "[ . 1]" 1
48 1 5 DG H1' 1 5 DG H8 3.770 2.640 4.900 3.890 3.887 3.892 . 0 0 "[ . 1]" 1
49 1 5 DG Q5' 1 5 DG H8 4.040 3.060 5.250 3.996 3.805 4.045 . 0 0 "[ . 1]" 1
50 1 5 DG H2' 1 5 DG H8 2.310 . 3.000 2.368 2.327 2.444 . 0 0 "[ . 1]" 1
51 1 5 DG H1' 1 5 DG H2' 2.810 . 3.650 3.064 3.060 3.064 . 0 0 "[ . 1]" 1
52 1 6 DT H3' 1 6 DT H6 3.380 2.370 4.390 2.330 2.304 2.357 0.066 5 0 "[ . 1]" 1
53 1 6 DT H1' 1 6 DT H6 3.180 2.230 4.130 3.715 3.703 3.724 . 0 0 "[ . 1]" 1
54 1 6 DT H1' 1 6 DT H2' 2.820 . 3.670 2.872 2.857 2.882 . 0 0 "[ . 1]" 1
55 1 6 DT H1' 1 6 DT H2'' 2.180 . 2.830 2.324 2.323 2.330 . 0 0 "[ . 1]" 1
56 1 6 DT H2' 1 6 DT H6 2.280 . 2.960 2.422 2.202 2.977 0.017 3 0 "[ . 1]" 1
57 1 6 DT H4' 1 6 DT H6 4.400 3.080 5.720 4.460 4.240 4.558 . 0 0 "[ . 1]" 1
58 1 6 DT Q5' 1 6 DT H6 3.630 2.540 4.540 3.685 2.795 4.098 . 0 0 "[ . 1]" 1
59 1 6 DT H2' 1 6 DT H3' 2.330 . 3.030 2.383 2.378 2.389 . 0 0 "[ . 1]" 1
60 1 6 DT H2'' 1 6 DT H3' 2.390 . 3.110 3.032 3.029 3.037 . 0 0 "[ . 1]" 1
61 1 6 DT H2'' 1 8 DA H8 4.180 2.920 5.440 3.178 2.908 3.897 0.012 2 0 "[ . 1]" 1
62 1 7 DT H1' 1 7 DT H2' 3.270 2.290 4.250 3.061 3.057 3.066 . 0 0 "[ . 1]" 1
63 1 7 DT H3' 1 7 DT H6 3.260 2.280 4.240 4.138 4.070 4.200 . 0 0 "[ . 1]" 1
64 1 7 DT H1' 1 7 DT H6 3.130 2.190 4.070 3.723 3.720 3.725 . 0 0 "[ . 1]" 1
65 1 7 DT H1' 1 7 DT H2'' 2.330 . 3.030 2.417 2.408 2.431 . 0 0 "[ . 1]" 1
66 1 7 DT H4' 1 7 DT H6 3.770 2.640 4.900 4.567 4.446 4.767 . 0 0 "[ . 1]" 1
67 1 7 DT H2' 1 7 DT H6 2.760 . 3.590 2.214 2.025 2.347 . 0 0 "[ . 1]" 1
68 1 7 DT H2' 1 7 DT H3' 2.580 . 3.360 2.398 2.381 2.407 . 0 0 "[ . 1]" 1
69 1 7 DT H2'' 1 7 DT H6 3.020 2.120 3.920 3.652 3.473 3.783 . 0 0 "[ . 1]" 1
70 1 7 DT H2'' 1 7 DT H3' 2.380 . 3.090 2.707 2.699 2.728 . 0 0 "[ . 1]" 1
71 1 7 DT H2'' 1 8 DA H8 3.490 2.440 4.540 3.872 3.606 4.040 . 0 0 "[ . 1]" 1
72 1 7 DT H1' 1 8 DA H8 5.530 3.870 7.190 6.047 5.428 6.276 . 0 0 "[ . 1]" 1
73 1 7 DT H2' 1 8 DA H8 4.030 2.820 5.240 3.678 3.374 4.319 . 0 0 "[ . 1]" 1
74 1 7 DT H1' 1 8 DA H2 4.570 3.200 5.940 5.937 5.878 5.957 0.017 3 0 "[ . 1]" 1
75 1 7 DT H3' 1 8 DA H8 4.250 2.980 5.520 4.865 4.367 5.338 . 0 0 "[ . 1]" 1
76 1 8 DA H2' 1 8 DA H3' 2.570 . 3.340 2.399 2.379 2.437 . 0 0 "[ . 1]" 1
77 1 8 DA H3' 1 8 DA H4' 2.950 2.060 3.840 2.706 2.615 3.012 . 0 0 "[ . 1]" 1
78 1 8 DA H2'' 1 8 DA H3' 2.720 . 3.540 2.776 2.699 3.063 . 0 0 "[ . 1]" 1
79 1 8 DA H1' 1 8 DA H8 3.200 2.240 4.160 3.597 3.588 3.635 . 0 0 "[ . 1]" 1
80 1 8 DA H2'' 1 8 DA H8 3.070 2.150 3.990 3.175 2.794 3.707 . 0 0 "[ . 1]" 1
81 1 8 DA H2' 1 8 DA H8 2.600 . 3.380 2.031 1.984 2.206 . 0 0 "[ . 1]" 1
82 1 8 DA H1' 1 8 DA H2 5.000 3.500 6.500 4.993 4.942 5.006 . 0 0 "[ . 1]" 1
83 1 8 DA H3' 1 8 DA H8 3.500 2.450 4.550 4.044 2.487 4.574 0.024 2 0 "[ . 1]" 1
84 1 8 DA Q5' 1 8 DA H8 4.450 3.120 5.780 3.698 3.212 5.162 . 0 0 "[ . 1]" 1
85 1 8 DA H1' 1 8 DA H2' 2.970 2.080 3.860 2.970 2.722 3.064 . 0 0 "[ . 1]" 1
86 1 8 DA H1' 1 8 DA H2'' 2.460 . 3.200 2.375 2.356 2.423 . 0 0 "[ . 1]" 1
87 1 8 DA H5' 1 8 DA H8 5.000 3.500 6.500 4.806 4.355 5.928 . 0 0 "[ . 1]" 1
88 1 9 DG Q5' 1 9 DG H8 5.240 3.670 6.810 5.215 5.132 5.481 . 0 0 "[ . 1]" 1
89 1 9 DG H2'' 1 9 DG H8 3.880 2.720 5.040 4.240 4.009 4.288 . 0 0 "[ . 1]" 1
90 1 9 DG H2' 1 9 DG H8 4.170 2.920 5.420 4.562 4.491 4.584 . 0 0 "[ . 1]" 1
91 1 9 DG H1' 1 9 DG H2' 2.770 . 3.600 3.052 3.048 3.064 . 0 0 "[ . 1]" 1
92 1 9 DG H1' 1 9 DG H2'' 2.600 . 3.380 2.399 2.391 2.423 . 0 0 "[ . 1]" 1
93 1 9 DG H1' 1 9 DG H8 2.360 . 3.070 2.537 2.525 2.543 . 0 0 "[ . 1]" 1
94 1 9 DG H2' 1 9 DG H3' 2.580 . 3.350 2.405 2.401 2.413 . 0 0 "[ . 1]" 1
95 1 9 DG H2'' 1 9 DG H3' 2.640 . 3.430 2.686 2.683 2.688 . 0 0 "[ . 1]" 1
96 1 9 DG H2'' 1 10 DG H8 2.600 . 3.380 2.013 1.901 2.078 . 0 0 "[ . 1]" 1
97 1 9 DG H8 1 10 DG H1' 3.560 2.490 4.630 3.723 3.604 3.790 . 0 0 "[ . 1]" 1
98 1 9 DG H1' 1 10 DG H8 3.290 2.300 4.280 3.836 3.697 3.933 . 0 0 "[ . 1]" 1
99 1 9 DG H3' 1 10 DG H8 3.340 2.340 4.340 4.366 4.356 4.377 0.037 2 0 "[ . 1]" 1
100 1 9 DG H2' 1 10 DG H8 2.880 2.020 3.740 2.802 2.706 2.847 . 0 0 "[ . 1]" 1
101 1 10 DG H1' 1 10 DG H2'' 2.540 . 3.300 2.418 2.397 2.427 . 0 0 "[ . 1]" 1
102 1 10 DG H2' 1 10 DG H8 2.410 . 3.130 2.405 2.344 2.483 . 0 0 "[ . 1]" 1
103 1 10 DG H1' 1 10 DG H8 3.680 2.580 4.780 3.898 3.895 3.901 . 0 0 "[ . 1]" 1
104 1 10 DG H3' 1 10 DG H8 3.870 2.710 5.030 4.332 4.162 4.442 . 0 0 "[ . 1]" 1
105 1 10 DG H1' 1 10 DG H2' 2.740 . 3.560 3.062 3.052 3.066 . 0 0 "[ . 1]" 1
106 1 10 DG H1' 1 11 DG H8 3.570 2.500 4.640 3.854 3.704 4.143 . 0 0 "[ . 1]" 1
107 1 10 DG H3' 1 11 DG H8 4.020 2.810 5.230 4.994 4.803 5.090 . 0 0 "[ . 1]" 1
108 1 11 DG H1' 1 11 DG Q2' 2.290 . 2.940 2.350 2.347 2.356 . 0 0 "[ . 1]" 1
109 1 11 DG H1' 1 11 DG H8 4.000 2.800 5.200 3.894 3.853 3.906 . 0 0 "[ . 1]" 1
110 1 11 DG Q2' 1 11 DG H8 2.700 . 2.760 2.296 2.101 2.408 . 0 0 "[ . 1]" 1
111 1 11 DG Q2' 1 11 DG H3' 2.310 . 2.760 2.247 2.245 2.250 . 0 0 "[ . 1]" 1
112 1 11 DG H4' 1 11 DG H8 5.250 3.670 6.830 5.116 5.047 5.268 . 0 0 "[ . 1]" 1
113 1 11 DG H1' 1 12 DT H6 4.090 2.860 5.320 4.654 4.523 4.774 . 0 0 "[ . 1]" 1
114 1 11 DG H3' 1 12 DT H6 5.170 3.620 6.720 5.774 5.728 5.923 . 0 0 "[ . 1]" 1
115 1 11 DG Q2' 1 12 DT H6 3.300 2.310 3.870 3.104 3.052 3.206 . 0 0 "[ . 1]" 1
116 1 12 DT H2' 1 12 DT H6 2.400 . 3.120 2.495 2.423 2.628 . 0 0 "[ . 1]" 1
117 1 12 DT H2'' 1 12 DT H6 3.000 2.100 3.900 3.846 3.785 3.948 0.048 8 0 "[ . 1]" 1
118 1 12 DT H2' 1 12 DT H3' 2.330 . 3.030 2.391 2.388 2.406 . 0 0 "[ . 1]" 1
119 1 12 DT H2'' 1 12 DT H3' 2.550 . 3.320 2.724 2.699 2.733 . 0 0 "[ . 1]" 1
120 1 12 DT Q5' 1 12 DT H6 4.270 2.990 5.380 3.059 2.972 3.107 0.018 2 0 "[ . 1]" 1
121 1 12 DT H1' 1 12 DT H2' 2.910 2.040 3.780 3.071 3.070 3.072 . 0 0 "[ . 1]" 1
122 1 12 DT H1' 1 12 DT H2'' 2.450 . 3.190 2.448 2.447 2.451 . 0 0 "[ . 1]" 1
123 1 12 DT H3' 1 12 DT H6 3.940 2.760 5.120 4.373 4.332 4.457 . 0 0 "[ . 1]" 1
124 1 12 DT H1' 1 12 DT H6 3.040 2.130 3.950 3.729 3.699 3.737 . 0 0 "[ . 1]" 1
125 1 12 DT H2'' 1 13 DT H6 3.360 2.350 4.370 3.050 2.432 3.212 . 0 0 "[ . 1]" 1
126 1 12 DT H1' 1 13 DT H1' 4.500 3.150 5.850 3.805 3.686 4.103 . 0 0 "[ . 1]" 1
127 1 12 DT H2' 1 13 DT H6 3.920 2.750 5.090 4.434 3.429 4.567 . 0 0 "[ . 1]" 1
128 1 12 DT H1' 1 13 DT H4' 2.700 . 3.510 3.515 3.465 3.543 0.033 2 0 "[ . 1]" 1
129 1 12 DT H1' 1 13 DT Q5' 4.930 3.450 5.590 3.066 3.060 3.068 0.390 2 0 "[ . 1]" 1
130 1 13 DT H1' 1 13 DT Q5' 4.880 3.580 6.340 4.347 4.198 4.369 . 0 0 "[ . 1]" 1
131 1 13 DT H4' 1 13 DT H6 5.120 3.590 6.650 4.233 4.171 4.575 . 0 0 "[ . 1]" 1
132 1 13 DT H1' 1 13 DT H6 3.250 2.280 4.220 3.711 3.706 3.719 . 0 0 "[ . 1]" 1
133 1 13 DT H3' 1 13 DT Q5' 2.970 2.080 3.860 2.594 2.304 2.640 . 0 0 "[ . 1]" 1
134 1 13 DT H2' 1 13 DT H3' 2.650 . 3.440 2.391 2.341 2.397 . 0 0 "[ . 1]" 1
135 1 13 DT H2'' 1 13 DT H3' 3.020 2.120 3.920 3.023 2.840 3.045 . 0 0 "[ . 1]" 1
136 1 13 DT H3' 1 13 DT H6 3.270 2.290 4.250 2.433 2.261 3.933 0.029 6 0 "[ . 1]" 1
137 1 13 DT H2'' 1 13 DT H6 3.130 2.190 4.070 4.090 3.988 4.114 0.044 3 0 "[ . 1]" 1
138 1 13 DT Q5' 1 13 DT H6 4.000 3.020 5.200 3.721 3.635 4.145 . 0 0 "[ . 1]" 1
139 1 13 DT H2' 1 13 DT H6 2.500 . 3.250 2.959 2.592 3.036 . 0 0 "[ . 1]" 1
140 1 13 DT H1' 1 13 DT H2'' 2.610 . 3.390 2.330 2.324 2.382 . 0 0 "[ . 1]" 1
141 1 13 DT H1' 1 13 DT H2' 2.990 2.090 3.890 2.858 2.833 3.046 . 0 0 "[ . 1]" 1
142 1 13 DT H1' 1 14 DA H8 3.590 2.510 4.670 3.080 2.907 3.114 . 0 0 "[ . 1]" 1
143 1 13 DT H2'' 1 14 DA H8 3.190 2.230 4.150 3.381 3.117 4.187 0.037 8 0 "[ . 1]" 1
144 1 13 DT H1' 1 14 DA Q5' 4.940 3.650 6.420 4.508 4.431 4.688 . 0 0 "[ . 1]" 1
145 1 14 DA H2' 1 14 DA H3' 2.460 . 3.200 2.416 2.400 2.421 . 0 0 "[ . 1]" 1
146 1 14 DA H4' 1 14 DA H8 3.790 2.650 4.930 4.545 4.532 4.603 . 0 0 "[ . 1]" 1
147 1 14 DA H3' 1 14 DA Q5' 3.500 2.450 3.680 2.761 2.750 2.774 . 0 0 "[ . 1]" 1
148 1 14 DA H1' 1 14 DA H2' 2.900 2.030 3.770 3.065 3.064 3.065 . 0 0 "[ . 1]" 1
149 1 14 DA Q5' 1 14 DA H8 3.920 2.740 4.420 3.623 3.595 3.718 . 0 0 "[ . 1]" 1
150 1 14 DA H1' 1 14 DA H8 3.370 2.360 4.380 3.563 3.541 3.623 . 0 0 "[ . 1]" 1
151 1 14 DA H1' 1 14 DA Q5' 5.800 4.060 7.540 4.153 4.113 4.163 . 0 0 "[ . 1]" 1
152 1 14 DA H2' 1 14 DA H8 3.230 2.260 4.200 3.917 3.807 3.958 . 0 0 "[ . 1]" 1
153 1 14 DA H1' 1 14 DA H2'' 2.490 . 3.240 2.440 2.439 2.442 . 0 0 "[ . 1]" 1
154 1 14 DA Q5' 1 15 DG H8 4.360 3.050 5.670 4.497 4.091 4.634 . 0 0 "[ . 1]" 1
155 1 14 DA H2 1 23 DG H2' 3.480 2.430 4.530 4.299 4.258 4.316 . 0 0 "[ . 1]" 1
156 1 14 DA H2 1 23 DG H2'' 3.040 2.130 3.950 3.968 3.962 3.974 0.024 2 0 "[ . 1]" 1
157 1 14 DA H2 1 23 DG H1' 4.520 3.160 5.880 4.693 4.677 4.721 . 0 0 "[ . 1]" 1
158 1 15 DG H2'' 1 15 DG H3' 2.800 . 3.640 2.673 2.670 2.675 . 0 0 "[ . 1]" 1
159 1 15 DG H2' 1 15 DG H8 4.570 3.200 5.940 4.597 4.591 4.606 . 0 0 "[ . 1]" 1
160 1 15 DG H2'' 1 15 DG H8 4.030 2.820 5.240 4.111 4.088 4.148 . 0 0 "[ . 1]" 1
161 1 15 DG H1' 1 15 DG H2'' 2.640 . 3.430 2.452 2.445 2.455 . 0 0 "[ . 1]" 1
162 1 15 DG H1' 1 15 DG H2' 3.120 2.180 4.060 3.068 3.067 3.069 . 0 0 "[ . 1]" 1
163 1 15 DG H2' 1 15 DG H3' 2.610 . 3.390 2.434 2.430 2.437 . 0 0 "[ . 1]" 1
164 1 15 DG H1' 1 15 DG H8 2.480 . 3.220 2.525 2.522 2.528 . 0 0 "[ . 1]" 1
165 1 16 BGM H3' 1 17 DG H8 4.630 3.240 6.020 4.305 4.251 4.430 . 0 0 "[ . 1]" 1
166 1 16 BGM H1' 1 17 DG H8 3.840 2.690 4.990 3.795 3.676 3.837 . 0 0 "[ . 1]" 1
167 1 17 DG H3' 1 17 DG H8 4.020 2.810 5.230 4.247 3.466 4.510 . 0 0 "[ . 1]" 1
168 1 17 DG H3' 1 17 DG H4' 2.610 . 3.390 2.825 2.772 2.994 . 0 0 "[ . 1]" 1
169 1 17 DG H2'' 1 17 DG H3' 2.590 . 3.370 2.785 2.723 2.990 . 0 0 "[ . 1]" 1
170 1 17 DG H2' 1 17 DG H3' 2.420 . 3.150 2.370 2.337 2.392 . 0 0 "[ . 1]" 1
171 1 17 DG H1' 1 17 DG H2'' 2.310 . 3.000 2.408 2.323 2.438 . 0 0 "[ . 1]" 1
172 1 17 DG H1' 1 17 DG H8 3.350 2.340 4.360 3.895 3.850 3.908 . 0 0 "[ . 1]" 1
173 1 17 DG H1' 1 17 DG H2' 2.440 . 3.170 3.047 2.963 3.068 . 0 0 "[ . 1]" 1
174 1 17 DG H4' 1 17 DG H8 4.170 2.920 5.420 4.952 4.738 5.030 . 0 0 "[ . 1]" 1
175 1 17 DG H8 1 20 DA H8 3.850 2.690 5.010 3.332 3.239 3.499 . 0 0 "[ . 1]" 1
176 1 17 DG H8 1 20 DA H2'' 3.690 2.580 4.800 2.976 2.803 3.188 . 0 0 "[ . 1]" 1
177 1 17 DG H8 1 20 DA H2' 3.980 2.790 5.170 3.592 3.367 3.867 . 0 0 "[ . 1]" 1
178 1 17 DG H3' 1 20 DA H8 4.800 3.360 6.240 4.204 3.304 4.592 0.056 2 0 "[ . 1]" 1
179 1 17 DG H8 1 20 DA H1' 5.030 3.520 6.540 4.224 4.159 4.366 . 0 0 "[ . 1]" 1
180 1 17 DG H1' 1 20 DA H8 5.140 3.600 6.680 5.023 4.801 5.306 . 0 0 "[ . 1]" 1
181 1 17 DG H2' 1 20 DA H8 3.380 2.370 4.390 2.482 2.368 2.647 0.002 7 0 "[ . 1]" 1
182 1 17 DG H2'' 1 20 DA H8 3.190 2.230 4.150 3.343 2.982 4.168 0.018 8 0 "[ . 1]" 1
183 1 18 DT H4' 1 18 DT H6 4.300 3.010 5.590 4.441 4.314 4.712 . 0 0 "[ . 1]" 1
184 1 18 DT H2'' 1 18 DT H6 2.870 2.010 3.730 3.719 3.664 3.751 0.021 8 0 "[ . 1]" 1
185 1 18 DT H2' 1 18 DT H6 2.670 . 3.470 2.251 2.191 2.291 . 0 0 "[ . 1]" 1
186 1 18 DT H1' 1 18 DT H6 3.480 2.440 4.520 3.720 3.715 3.725 . 0 0 "[ . 1]" 1
187 1 18 DT H1' 1 18 DT H2' 2.870 2.010 3.730 3.053 3.051 3.054 . 0 0 "[ . 1]" 1
188 1 18 DT H3' 1 18 DT H6 3.120 2.180 4.060 4.030 3.881 4.110 0.050 2 0 "[ . 1]" 1
189 1 18 DT H2'' 1 18 DT H3' 2.230 . 2.900 2.718 2.678 2.807 . 0 0 "[ . 1]" 1
190 1 18 DT H2' 1 18 DT H3' 2.330 . 3.030 2.387 2.344 2.418 . 0 0 "[ . 1]" 1
191 1 18 DT H2' 1 19 DT H6 3.680 2.580 4.780 4.632 4.430 4.807 0.027 10 0 "[ . 1]" 1
192 1 18 DT H1' 1 19 DT H6 5.300 3.710 6.890 4.809 4.051 5.896 . 0 0 "[ . 1]" 1
193 1 18 DT H2'' 1 19 DT H6 2.830 . 3.680 3.175 2.735 3.740 0.060 1 0 "[ . 1]" 1
194 1 18 DT H3' 1 19 DT H6 4.460 3.120 5.800 4.733 4.154 5.040 . 0 0 "[ . 1]" 1
195 1 18 DT H4' 1 19 DT H6 4.880 3.420 6.340 6.313 6.175 6.435 0.095 1 0 "[ . 1]" 1
196 1 19 DT H2' 1 19 DT H3' 2.740 . 3.560 2.402 2.386 2.410 . 0 0 "[ . 1]" 1
197 1 19 DT H1' 1 19 DT H2'' 2.620 . 3.410 2.407 2.401 2.421 . 0 0 "[ . 1]" 1
198 1 19 DT H2'' 1 19 DT H3' 2.770 . 3.600 2.694 2.679 2.721 . 0 0 "[ . 1]" 1
199 1 19 DT H1' 1 19 DT H2' 3.260 2.280 4.240 3.057 3.056 3.060 . 0 0 "[ . 1]" 1
200 1 19 DT H4' 1 19 DT H6 4.060 2.840 5.280 4.285 4.218 4.392 . 0 0 "[ . 1]" 1
201 1 19 DT H1' 1 19 DT H6 3.230 2.260 4.200 3.673 3.622 3.697 . 0 0 "[ . 1]" 1
202 1 19 DT H3' 1 19 DT H6 4.020 2.820 5.220 4.404 4.316 4.571 . 0 0 "[ . 1]" 1
203 1 19 DT H2' 1 19 DT H6 2.700 . 3.510 2.775 2.663 2.982 . 0 0 "[ . 1]" 1
204 1 19 DT H2'' 1 19 DT H6 3.100 2.170 4.030 4.091 4.022 4.203 0.173 1 0 "[ . 1]" 1
205 1 19 DT H1' 1 20 DA H5' 3.110 2.180 4.040 3.032 2.829 3.526 . 0 0 "[ . 1]" 1
206 1 19 DT H1' 1 20 DA Q5' 3.040 2.130 3.950 2.999 2.803 3.474 . 0 0 "[ . 1]" 1
207 1 19 DT H1' 1 20 DA H8 5.490 3.840 7.140 5.048 4.803 5.386 . 0 0 "[ . 1]" 1
208 1 19 DT H2' 1 20 DA H8 3.850 2.700 5.000 3.180 3.115 3.452 . 0 0 "[ . 1]" 1
209 1 19 DT H3' 1 20 DA H8 5.080 3.560 6.600 3.819 3.582 4.039 . 0 0 "[ . 1]" 1
210 1 19 DT H2'' 1 20 DA H8 3.360 2.350 4.370 2.674 2.447 2.981 . 0 0 "[ . 1]" 1
211 1 19 DT H6 1 20 DA H8 4.780 3.340 6.220 5.840 5.675 6.047 . 0 0 "[ . 1]" 1
212 1 19 DT H4' 1 20 DA H8 5.200 3.640 6.760 6.165 6.093 6.331 . 0 0 "[ . 1]" 1
213 1 20 DA H1' 1 20 DA H8 3.710 2.600 4.820 3.833 3.819 3.842 . 0 0 "[ . 1]" 1
214 1 20 DA H1' 1 20 DA H2'' 2.520 . 3.270 2.434 2.424 2.439 . 0 0 "[ . 1]" 1
215 1 20 DA H1' 1 20 DA H2' 2.800 . 3.640 3.066 3.063 3.067 . 0 0 "[ . 1]" 1
216 1 20 DA H4' 1 20 DA Q5' 2.550 . 3.320 2.161 2.160 2.162 . 0 0 "[ . 1]" 1
217 1 20 DA H3' 1 20 DA Q5' . 2.300 3.150 2.475 2.443 2.492 . 0 0 "[ . 1]" 1
218 1 20 DA H2' 1 20 DA H8 2.380 . 3.100 2.127 2.106 2.145 . 0 0 "[ . 1]" 1
219 1 20 DA H2'' 1 20 DA H8 3.150 2.200 4.100 3.284 3.213 3.347 . 0 0 "[ . 1]" 1
220 1 20 DA H2' 1 20 DA H3' 2.260 . 2.940 2.422 2.414 2.429 . 0 0 "[ . 1]" 1
221 1 20 DA H3' 1 20 DA H8 3.640 2.550 4.730 4.494 4.433 4.521 . 0 0 "[ . 1]" 1
222 1 20 DA Q5' 1 20 DA H8 4.370 3.160 5.680 4.492 4.342 4.565 . 0 0 "[ . 1]" 1
223 1 20 DA H4' 1 20 DA H8 4.590 3.210 5.970 5.278 5.198 5.324 . 0 0 "[ . 1]" 1
224 1 21 DG H1' 1 21 DG H2'' 2.550 . 3.320 2.444 2.439 2.447 . 0 0 "[ . 1]" 1
225 1 21 DG H2' 1 21 DG H8 4.220 2.950 5.490 4.561 4.527 4.614 . 0 0 "[ . 1]" 1
226 1 21 DG H1' 1 21 DG H2' 3.050 2.130 3.970 3.069 3.067 3.069 . 0 0 "[ . 1]" 1
227 1 21 DG H2'' 1 21 DG H8 4.220 2.950 5.490 4.053 3.995 4.155 . 0 0 "[ . 1]" 1
228 1 21 DG H1' 1 21 DG H8 2.400 . 3.120 2.490 2.485 2.492 . 0 0 "[ . 1]" 1
229 1 21 DG H2'' 1 21 DG H3' 2.310 . 3.000 2.712 2.702 2.716 . 0 0 "[ . 1]" 1
230 1 21 DG H4' 1 21 DG H8 4.050 2.840 5.260 5.362 5.350 5.373 0.113 4 0 "[ . 1]" 1
231 1 21 DG H2' 1 21 DG H3' 2.420 . 3.150 2.404 2.397 2.411 . 0 0 "[ . 1]" 1
232 1 21 DG H2' 1 22 DG H8 2.860 . 3.720 2.721 2.665 2.789 . 0 0 "[ . 1]" 1
233 1 21 DG H2'' 1 22 DG H8 2.410 . 3.130 2.012 1.985 2.036 . 0 0 "[ . 1]" 1
234 1 22 DG H1' 1 22 DG H8 3.050 2.130 3.970 3.840 3.836 3.847 . 0 0 "[ . 1]" 1
235 1 22 DG H4' 1 22 DG H8 3.930 2.750 5.110 4.771 4.764 4.789 . 0 0 "[ . 1]" 1
236 1 22 DG H2' 1 22 DG H8 2.380 . 3.090 3.103 3.096 3.110 0.020 10 0 "[ . 1]" 1
237 1 22 DG H3' 1 22 DG H8 3.030 2.120 3.940 4.013 4.006 4.024 0.084 8 0 "[ . 1]" 1
238 1 22 DG H1' 1 22 DG H2'' 2.220 . 2.890 2.350 2.349 2.352 . 0 0 "[ . 1]" 1
239 1 22 DG H2'' 1 23 DG H8 2.440 . 3.170 2.022 2.001 2.057 . 0 0 "[ . 1]" 1
240 1 22 DG H1' 1 23 DG H8 3.270 2.290 4.250 3.704 3.666 3.722 . 0 0 "[ . 1]" 1
241 1 22 DG H3' 1 23 DG H8 3.810 2.660 4.960 4.566 4.520 4.627 . 0 0 "[ . 1]" 1
242 1 23 DG H2' 1 23 DG H8 2.380 . 3.090 2.609 2.579 2.652 . 0 0 "[ . 1]" 1
243 1 23 DG H4' 1 23 DG H8 3.740 2.620 4.860 4.779 4.772 4.784 . 0 0 "[ . 1]" 1
244 1 23 DG H3' 1 23 DG H8 4.060 2.840 5.280 4.485 4.466 4.511 . 0 0 "[ . 1]" 1
245 1 23 DG H2' 1 23 DG H3' 2.470 . 3.210 2.391 2.389 2.392 . 0 0 "[ . 1]" 1
246 1 23 DG H1' 1 23 DG H2'' 2.250 . 2.930 2.422 2.421 2.425 . 0 0 "[ . 1]" 1
247 1 23 DG H1' 1 23 DG H8 3.430 2.400 4.460 3.885 3.882 3.886 . 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 19
_Distance_constraint_stats_list.Viol_count 35
_Distance_constraint_stats_list.Viol_total 16.996
_Distance_constraint_stats_list.Viol_max 0.102
_Distance_constraint_stats_list.Viol_rms 0.0240
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0089
_Distance_constraint_stats_list.Viol_average_violations_only 0.0486
_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 1 DT 0.000 0.000 . 0 "[ . 1]"
1 2 DA 0.839 0.102 7 0 "[ . 1]"
1 3 DG 0.839 0.102 7 0 "[ . 1]"
1 4 DG 0.000 0.000 . 0 "[ . 1]"
1 5 DG 0.000 0.000 . 0 "[ . 1]"
1 9 DG 0.000 0.000 . 0 "[ . 1]"
1 10 DG 0.000 0.000 . 0 "[ . 1]"
1 11 DG 0.000 0.000 . 0 "[ . 1]"
1 14 DA 0.812 0.080 5 0 "[ . 1]"
1 15 DG 0.127 0.019 3 0 "[ . 1]"
1 16 BGM 0.000 0.000 . 0 "[ . 1]"
1 17 DG 0.049 0.012 3 0 "[ . 1]"
1 20 DA 0.000 0.000 . 0 "[ . 1]"
1 21 DG 0.049 0.012 3 0 "[ . 1]"
1 22 DG 0.000 0.000 . 0 "[ . 1]"
1 23 DG 0.685 0.080 5 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 3 DG H8 1 9 DG H1 5.000 3.500 6.500 5.041 4.936 5.127 . 0 0 "[ . 1]" 2
2 1 3 DG H1 1 21 DG H8 5.000 3.500 6.500 4.795 4.747 4.821 . 0 0 "[ . 1]" 2
3 1 4 DG H8 1 22 DG H1 5.000 3.500 6.500 5.302 5.234 5.362 . 0 0 "[ . 1]" 2
4 1 9 DG H8 1 17 DG H1 5.000 3.500 6.500 4.861 4.807 4.924 . 0 0 "[ . 1]" 2
5 1 14 DA H2 1 23 DG H1 5.000 3.500 6.500 4.474 4.341 4.582 . 0 0 "[ . 1]" 2
6 1 14 DA H8 1 23 DG H1 5.000 3.500 6.500 6.568 6.542 6.580 0.080 5 0 "[ . 1]" 2
7 1 5 DG H8 1 23 DG H1 4.000 2.800 5.200 5.079 5.036 5.172 . 0 0 "[ . 1]" 2
8 1 16 BGM H1 1 22 DG H8 4.000 2.800 5.200 5.000 4.980 5.044 . 0 0 "[ . 1]" 2
9 1 17 DG H8 1 21 DG H1 4.000 2.800 5.200 5.195 5.104 5.212 0.012 3 0 "[ . 1]" 2
10 1 4 DG H1 1 10 DG H8 4.000 2.800 5.200 4.929 4.924 4.940 . 0 0 "[ . 1]" 2
11 1 11 DG H1 1 15 DG H8 4.000 2.800 5.200 5.007 4.930 5.106 . 0 0 "[ . 1]" 2
12 1 2 DA H1' 1 3 DG H1 4.000 2.800 5.200 4.131 3.592 4.538 . 0 0 "[ . 1]" 2
13 1 2 DA H2 1 3 DG H1 4.000 2.800 5.200 5.284 5.253 5.302 0.102 7 0 "[ . 1]" 2
14 1 14 DA H2 1 15 DG H1 4.000 2.800 5.200 5.201 5.115 5.219 0.019 3 0 "[ . 1]" 2
15 1 15 DG H1 1 23 DG H8 4.000 2.800 5.200 4.845 4.810 4.877 . 0 0 "[ . 1]" 2
16 1 5 DG H1 1 11 DG H8 4.000 2.800 5.200 5.010 4.921 5.051 . 0 0 "[ . 1]" 2
17 1 14 DA H1' 1 15 DG H1 3.000 2.100 3.900 3.003 2.828 3.085 . 0 0 "[ . 1]" 2
18 1 1 DT H1' 1 9 DG H1 3.000 2.100 3.900 3.049 2.796 3.449 . 0 0 "[ . 1]" 2
19 1 20 DA H1' 1 21 DG H1 3.000 2.100 3.900 3.768 3.666 3.867 . 0 0 "[ . 1]" 2
stop_
save_
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