NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
404457 |
1x2y   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x2y
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 132
_Distance_constraint_stats_list.Viol_count 74
_Distance_constraint_stats_list.Viol_total 4.579
_Distance_constraint_stats_list.Viol_max 0.326
_Distance_constraint_stats_list.Viol_rms 0.0589
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0347
_Distance_constraint_stats_list.Viol_average_violations_only 0.0619
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 DG 0.235 0.091 1 0 "[ ]"
1 2 DA 0.244 0.196 1 0 "[ ]"
1 3 DC 0.115 0.036 1 0 "[ ]"
1 4 DT 0.227 0.098 1 0 "[ ]"
1 5 DG 0.235 0.072 1 0 "[ ]"
1 6 DT 0.424 0.196 1 0 "[ ]"
1 7 DG 0.157 0.069 1 0 "[ ]"
1 8 DC 0.174 0.069 1 0 "[ ]"
1 9 DA 0.318 0.198 1 0 "[ ]"
1 10 DG 0.551 0.326 1 0 "[ ]"
1 11 DT 0.168 0.122 1 0 "[ ]"
1 12 DC 0.137 0.122 1 0 "[ ]"
2 1 DG 0.232 0.090 1 0 "[ ]"
2 2 DA 0.249 0.197 1 0 "[ ]"
2 3 DC 0.123 0.036 1 0 "[ ]"
2 4 DT 0.233 0.099 1 0 "[ ]"
2 5 DG 0.237 0.072 1 0 "[ ]"
2 6 DT 0.426 0.195 1 0 "[ ]"
2 7 DG 0.155 0.068 1 0 "[ ]"
2 8 DC 0.174 0.068 1 0 "[ ]"
2 9 DA 0.315 0.199 1 0 "[ ]"
2 10 DG 0.548 0.326 1 0 "[ ]"
2 11 DT 0.168 0.122 1 0 "[ ]"
2 12 DC 0.137 0.122 1 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 DG H1' 1 1 DG H2' 3.340 3.130 3.550 3.072 3.072 3.072 0.058 1 0 "[ ]" 1
2 1 1 DG H1' 1 1 DG H2'' 2.300 2.090 2.510 2.424 2.424 2.424 . 0 0 "[ ]" 1
3 1 1 DG H1' 1 2 DA H8 4.150 3.930 4.370 3.907 3.907 3.907 0.023 1 0 "[ ]" 1
4 1 1 DG H2' 1 1 DG H8 2.340 2.130 2.550 2.613 2.613 2.613 0.063 1 0 "[ ]" 1
5 1 1 DG H2' 1 2 DA H8 4.380 4.160 4.600 4.189 4.189 4.189 . 0 0 "[ ]" 1
6 1 1 DG H2'' 1 1 DG H8 3.670 3.460 3.880 3.971 3.971 3.971 0.091 1 0 "[ ]" 1
7 1 2 DA H1' 1 2 DA H2' 2.950 2.740 3.160 3.067 3.067 3.067 . 0 0 "[ ]" 1
8 1 2 DA H1' 1 2 DA H2'' 2.320 2.110 2.530 2.405 2.405 2.405 . 0 0 "[ ]" 1
9 1 2 DA H1' 1 2 DA H8 3.850 3.620 4.080 3.870 3.870 3.870 . 0 0 "[ ]" 1
10 1 2 DA H1' 1 3 DC H6 3.500 3.280 3.720 3.267 3.267 3.267 0.013 1 0 "[ ]" 1
11 1 2 DA H2' 1 3 DC H6 3.540 3.320 3.760 3.771 3.771 3.771 0.011 1 0 "[ ]" 1
12 1 2 DA H2'' 1 2 DA H8 3.360 3.150 3.570 3.766 3.766 3.766 0.196 1 0 "[ ]" 1
13 1 2 DA H2'' 1 3 DC H6 2.250 2.040 2.460 2.192 2.192 2.192 . 0 0 "[ ]" 1
14 1 3 DC H1' 1 3 DC H2' 3.060 2.850 3.270 3.057 3.057 3.057 . 0 0 "[ ]" 1
15 1 3 DC H1' 1 3 DC H6 3.800 3.580 4.020 3.726 3.726 3.726 . 0 0 "[ ]" 1
16 1 3 DC H1' 1 4 DT H6 3.600 3.380 3.820 3.357 3.357 3.357 0.023 1 0 "[ ]" 1
17 1 3 DC H2' 1 3 DC H6 2.510 2.300 2.720 2.269 2.269 2.269 0.031 1 0 "[ ]" 1
18 1 3 DC H2'' 1 3 DC H6 3.470 3.260 3.680 3.716 3.716 3.716 0.036 1 0 "[ ]" 1
19 1 4 DT H1' 1 4 DT H2' 2.930 2.720 3.140 3.060 3.060 3.060 . 0 0 "[ ]" 1
20 1 4 DT H1' 1 4 DT H2'' 2.160 . 2.370 2.382 2.382 2.382 0.012 1 0 "[ ]" 1
21 1 4 DT H1' 1 4 DT H6 3.380 3.160 3.600 3.698 3.698 3.698 0.098 1 0 "[ ]" 1
22 1 4 DT H1' 1 5 DG H8 3.820 3.600 4.040 3.528 3.528 3.528 0.072 1 0 "[ ]" 1
23 1 4 DT H2' 1 4 DT H6 2.190 . 2.400 2.307 2.307 2.307 . 0 0 "[ ]" 1
24 1 4 DT H2' 1 5 DG H8 3.470 3.250 3.690 3.227 3.227 3.227 0.023 1 0 "[ ]" 1
25 1 5 DG H1' 1 5 DG H2' 3.300 3.090 3.510 3.070 3.070 3.070 0.020 1 0 "[ ]" 1
26 1 5 DG H1' 1 5 DG H2'' 2.500 2.290 2.710 2.406 2.406 2.406 . 0 0 "[ ]" 1
27 1 5 DG H1' 1 6 DT H6 4.010 3.790 4.230 3.750 3.750 3.750 0.040 1 0 "[ ]" 1
28 1 5 DG H2' 1 6 DT H6 3.850 3.640 4.060 3.608 3.608 3.608 0.032 1 0 "[ ]" 1
29 1 5 DG H2'' 1 5 DG H8 3.950 3.740 4.160 3.973 3.973 3.973 . 0 0 "[ ]" 1
30 1 5 DG H2'' 1 6 DT H6 2.440 2.230 2.650 2.182 2.182 2.182 0.048 1 0 "[ ]" 1
31 1 6 DT H1' 1 6 DT H2' 3.140 2.930 3.350 3.055 3.055 3.055 . 0 0 "[ ]" 1
32 1 6 DT H1' 1 6 DT H2'' 2.290 2.080 2.500 2.353 2.353 2.353 . 0 0 "[ ]" 1
33 1 6 DT H1' 1 6 DT H6 4.160 3.930 4.390 3.734 3.734 3.734 0.196 1 0 "[ ]" 1
34 1 6 DT H1' 1 7 DG H8 3.710 3.490 3.930 3.438 3.438 3.438 0.052 1 0 "[ ]" 1
35 1 6 DT H2' 1 7 DG H8 3.790 3.580 4.000 3.640 3.640 3.640 . 0 0 "[ ]" 1
36 1 6 DT H2'' 1 6 DT H6 4.070 3.860 4.280 3.809 3.809 3.809 0.051 1 0 "[ ]" 1
37 1 6 DT H2'' 1 7 DG H8 2.740 2.530 2.950 2.525 2.525 2.525 0.005 1 0 "[ ]" 1
38 1 7 DG H1' 1 7 DG H2' 2.840 2.630 3.050 3.057 3.057 3.057 0.007 1 0 "[ ]" 1
39 1 7 DG H1' 1 7 DG H2'' 2.140 . 2.350 2.373 2.373 2.373 0.023 1 0 "[ ]" 1
40 1 7 DG H1' 1 8 DC H6 3.730 3.510 3.950 3.441 3.441 3.441 0.069 1 0 "[ ]" 1
41 1 7 DG H2'' 1 8 DC H6 2.210 . 2.280 2.104 2.104 2.104 . 0 0 "[ ]" 1
42 1 8 DC H1' 1 8 DC H2' 2.910 2.700 3.120 3.055 3.055 3.055 . 0 0 "[ ]" 1
43 1 8 DC H1' 1 8 DC H2'' 2.090 . 2.300 2.357 2.357 2.357 0.057 1 0 "[ ]" 1
44 1 8 DC H1' 1 9 DA H8 4.070 3.840 4.300 3.808 3.808 3.808 0.032 1 0 "[ ]" 1
45 1 8 DC H2' 1 8 DC H6 2.720 2.510 2.930 2.493 2.493 2.493 0.017 1 0 "[ ]" 1
46 1 8 DC H2' 1 9 DA H8 3.570 3.360 3.780 3.460 3.460 3.460 . 0 0 "[ ]" 1
47 1 8 DC H2'' 1 9 DA H8 2.430 2.220 2.640 2.391 2.391 2.391 . 0 0 "[ ]" 1
48 1 9 DA H1' 1 9 DA H2' 3.080 2.870 3.290 3.065 3.065 3.065 . 0 0 "[ ]" 1
49 1 9 DA H1' 1 9 DA H2'' 2.410 2.200 2.620 2.411 2.411 2.411 . 0 0 "[ ]" 1
50 1 9 DA H1' 1 9 DA H8 3.680 3.460 3.900 3.853 3.853 3.853 . 0 0 "[ ]" 1
51 1 9 DA H1' 1 10 DG H8 3.890 3.670 4.110 3.590 3.590 3.590 0.080 1 0 "[ ]" 1
52 1 9 DA H2' 1 9 DA H8 2.360 2.150 2.570 2.185 2.185 2.185 . 0 0 "[ ]" 1
53 1 9 DA H2' 1 10 DG H8 3.920 3.710 4.130 3.922 3.922 3.922 . 0 0 "[ ]" 1
54 1 9 DA H2'' 1 9 DA H8 3.150 2.940 3.360 3.558 3.558 3.558 0.198 1 0 "[ ]" 1
55 1 9 DA H2'' 1 10 DG H8 2.560 2.350 2.770 2.778 2.778 2.778 0.008 1 0 "[ ]" 1
56 1 10 DG H1' 1 10 DG H2' 2.480 2.270 2.690 3.016 3.016 3.016 0.326 1 0 "[ ]" 1
57 1 10 DG H1' 1 10 DG H2'' 2.300 2.090 2.510 2.297 2.297 2.297 . 0 0 "[ ]" 1
58 1 10 DG H1' 1 10 DG H8 3.380 2.810 3.950 3.885 3.885 3.885 . 0 0 "[ ]" 1
59 1 10 DG H2' 1 10 DG H8 2.710 2.500 2.920 2.455 2.455 2.455 0.045 1 0 "[ ]" 1
60 1 10 DG H2' 1 11 DT H6 2.780 2.570 2.810 2.841 2.841 2.841 0.031 1 0 "[ ]" 1
61 1 10 DG H2'' 1 10 DG H8 4.170 3.960 4.380 3.900 3.900 3.900 0.060 1 0 "[ ]" 1
62 1 11 DT H1' 1 11 DT H2' 3.130 2.920 3.340 3.066 3.066 3.066 . 0 0 "[ ]" 1
63 1 11 DT H1' 1 11 DT H2'' 2.310 2.100 2.520 2.388 2.388 2.388 . 0 0 "[ ]" 1
64 1 11 DT H1' 1 11 DT H6 3.850 3.630 4.070 3.704 3.704 3.704 . 0 0 "[ ]" 1
65 1 11 DT H1' 1 12 DC H6 4.550 4.310 4.790 4.188 4.188 4.188 0.122 1 0 "[ ]" 1
66 1 11 DT H2' 1 12 DC H6 4.090 3.870 4.310 3.856 3.856 3.856 0.014 1 0 "[ ]" 1
67 2 1 DG H1' 2 1 DG H2' 3.340 3.130 3.550 3.073 3.073 3.073 0.057 1 0 "[ ]" 1
68 2 1 DG H1' 2 1 DG H2'' 2.300 2.090 2.510 2.424 2.424 2.424 . 0 0 "[ ]" 1
69 2 1 DG H1' 2 2 DA H8 4.150 3.930 4.370 3.908 3.908 3.908 0.022 1 0 "[ ]" 1
70 2 1 DG H2' 2 1 DG H8 2.340 2.130 2.550 2.613 2.613 2.613 0.063 1 0 "[ ]" 1
71 2 1 DG H2' 2 2 DA H8 4.380 4.160 4.600 4.195 4.195 4.195 . 0 0 "[ ]" 1
72 2 1 DG H2'' 2 1 DG H8 3.670 3.460 3.880 3.970 3.970 3.970 0.090 1 0 "[ ]" 1
73 2 2 DA H1' 2 2 DA H2' 2.950 2.740 3.160 3.067 3.067 3.067 . 0 0 "[ ]" 1
74 2 2 DA H1' 2 2 DA H2'' 2.320 2.110 2.530 2.404 2.404 2.404 . 0 0 "[ ]" 1
75 2 2 DA H1' 2 2 DA H8 3.850 3.620 4.080 3.870 3.870 3.870 . 0 0 "[ ]" 1
76 2 2 DA H1' 2 3 DC H6 3.500 3.280 3.720 3.264 3.264 3.264 0.016 1 0 "[ ]" 1
77 2 2 DA H2' 2 3 DC H6 3.540 3.320 3.760 3.774 3.774 3.774 0.014 1 0 "[ ]" 1
78 2 2 DA H2'' 2 2 DA H8 3.360 3.150 3.570 3.767 3.767 3.767 0.197 1 0 "[ ]" 1
79 2 2 DA H2'' 2 3 DC H6 2.250 2.040 2.460 2.191 2.191 2.191 . 0 0 "[ ]" 1
80 2 3 DC H1' 2 3 DC H2' 3.060 2.850 3.270 3.057 3.057 3.057 . 0 0 "[ ]" 1
81 2 3 DC H1' 2 3 DC H6 3.800 3.580 4.020 3.726 3.726 3.726 . 0 0 "[ ]" 1
82 2 3 DC H1' 2 4 DT H6 3.600 3.380 3.820 3.355 3.355 3.355 0.025 1 0 "[ ]" 1
83 2 3 DC H2' 2 3 DC H6 2.510 2.300 2.720 2.268 2.268 2.268 0.032 1 0 "[ ]" 1
84 2 3 DC H2'' 2 3 DC H6 3.470 3.260 3.680 3.716 3.716 3.716 0.036 1 0 "[ ]" 1
85 2 4 DT H1' 2 4 DT H2' 2.930 2.720 3.140 3.062 3.062 3.062 . 0 0 "[ ]" 1
86 2 4 DT H1' 2 4 DT H2'' 2.160 . 2.370 2.383 2.383 2.383 0.013 1 0 "[ ]" 1
87 2 4 DT H1' 2 4 DT H6 3.380 3.160 3.600 3.699 3.699 3.699 0.099 1 0 "[ ]" 1
88 2 4 DT H1' 2 5 DG H8 3.820 3.600 4.040 3.528 3.528 3.528 0.072 1 0 "[ ]" 1
89 2 4 DT H2' 2 4 DT H6 2.190 . 2.400 2.304 2.304 2.304 . 0 0 "[ ]" 1
90 2 4 DT H2' 2 5 DG H8 3.470 3.250 3.690 3.227 3.227 3.227 0.023 1 0 "[ ]" 1
91 2 5 DG H1' 2 5 DG H2' 3.300 3.090 3.510 3.070 3.070 3.070 0.020 1 0 "[ ]" 1
92 2 5 DG H1' 2 5 DG H2'' 2.500 2.290 2.710 2.407 2.407 2.407 . 0 0 "[ ]" 1
93 2 5 DG H1' 2 6 DT H6 4.010 3.790 4.230 3.750 3.750 3.750 0.040 1 0 "[ ]" 1
94 2 5 DG H2' 2 6 DT H6 3.850 3.640 4.060 3.607 3.607 3.607 0.033 1 0 "[ ]" 1
95 2 5 DG H2'' 2 5 DG H8 3.950 3.740 4.160 3.972 3.972 3.972 . 0 0 "[ ]" 1
96 2 5 DG H2'' 2 6 DT H6 2.440 2.230 2.650 2.182 2.182 2.182 0.048 1 0 "[ ]" 1
97 2 6 DT H1' 2 6 DT H2' 3.140 2.930 3.350 3.056 3.056 3.056 . 0 0 "[ ]" 1
98 2 6 DT H1' 2 6 DT H2'' 2.290 2.080 2.500 2.354 2.354 2.354 . 0 0 "[ ]" 1
99 2 6 DT H1' 2 6 DT H6 4.160 3.930 4.390 3.735 3.735 3.735 0.195 1 0 "[ ]" 1
100 2 6 DT H1' 2 7 DG H8 3.710 3.490 3.930 3.439 3.439 3.439 0.051 1 0 "[ ]" 1
101 2 6 DT H2' 2 7 DG H8 3.790 3.580 4.000 3.649 3.649 3.649 . 0 0 "[ ]" 1
102 2 6 DT H2'' 2 6 DT H6 4.070 3.860 4.280 3.808 3.808 3.808 0.052 1 0 "[ ]" 1
103 2 6 DT H2'' 2 7 DG H8 2.740 2.530 2.950 2.524 2.524 2.524 0.006 1 0 "[ ]" 1
104 2 7 DG H1' 2 7 DG H2' 2.840 2.630 3.050 3.058 3.058 3.058 0.008 1 0 "[ ]" 1
105 2 7 DG H1' 2 7 DG H2'' 2.140 . 2.350 2.373 2.373 2.373 0.023 1 0 "[ ]" 1
106 2 7 DG H1' 2 8 DC H6 3.730 3.510 3.950 3.442 3.442 3.442 0.068 1 0 "[ ]" 1
107 2 7 DG H2'' 2 8 DC H6 2.210 . 2.280 2.103 2.103 2.103 . 0 0 "[ ]" 1
108 2 8 DC H1' 2 8 DC H2' 2.910 2.700 3.120 3.056 3.056 3.056 . 0 0 "[ ]" 1
109 2 8 DC H1' 2 8 DC H2'' 2.090 . 2.300 2.357 2.357 2.357 0.057 1 0 "[ ]" 1
110 2 8 DC H1' 2 9 DA H8 4.070 3.840 4.300 3.808 3.808 3.808 0.032 1 0 "[ ]" 1
111 2 8 DC H2' 2 8 DC H6 2.720 2.510 2.930 2.492 2.492 2.492 0.018 1 0 "[ ]" 1
112 2 8 DC H2' 2 9 DA H8 3.570 3.360 3.780 3.469 3.469 3.469 . 0 0 "[ ]" 1
113 2 8 DC H2'' 2 9 DA H8 2.430 2.220 2.640 2.406 2.406 2.406 . 0 0 "[ ]" 1
114 2 9 DA H1' 2 9 DA H2' 3.080 2.870 3.290 3.066 3.066 3.066 . 0 0 "[ ]" 1
115 2 9 DA H1' 2 9 DA H2'' 2.410 2.200 2.620 2.410 2.410 2.410 . 0 0 "[ ]" 1
116 2 9 DA H1' 2 9 DA H8 3.680 3.460 3.900 3.853 3.853 3.853 . 0 0 "[ ]" 1
117 2 9 DA H1' 2 10 DG H8 3.890 3.670 4.110 3.591 3.591 3.591 0.079 1 0 "[ ]" 1
118 2 9 DA H2' 2 9 DA H8 2.360 2.150 2.570 2.186 2.186 2.186 . 0 0 "[ ]" 1
119 2 9 DA H2' 2 10 DG H8 3.920 3.710 4.130 3.920 3.920 3.920 . 0 0 "[ ]" 1
120 2 9 DA H2'' 2 9 DA H8 3.150 2.940 3.360 3.559 3.559 3.559 0.199 1 0 "[ ]" 1
121 2 9 DA H2'' 2 10 DG H8 2.560 2.350 2.770 2.776 2.776 2.776 0.006 1 0 "[ ]" 1
122 2 10 DG H1' 2 10 DG H2' 2.480 2.270 2.690 3.016 3.016 3.016 0.326 1 0 "[ ]" 1
123 2 10 DG H1' 2 10 DG H2'' 2.300 2.090 2.510 2.297 2.297 2.297 . 0 0 "[ ]" 1
124 2 10 DG H1' 2 10 DG H8 3.380 2.810 3.950 3.885 3.885 3.885 . 0 0 "[ ]" 1
125 2 10 DG H2' 2 10 DG H8 2.710 2.500 2.920 2.454 2.454 2.454 0.046 1 0 "[ ]" 1
126 2 10 DG H2' 2 11 DT H6 2.780 2.570 2.810 2.841 2.841 2.841 0.031 1 0 "[ ]" 1
127 2 10 DG H2'' 2 10 DG H8 4.170 3.960 4.380 3.899 3.899 3.899 0.061 1 0 "[ ]" 1
128 2 11 DT H1' 2 11 DT H2' 3.130 2.920 3.340 3.065 3.065 3.065 . 0 0 "[ ]" 1
129 2 11 DT H1' 2 11 DT H2'' 2.310 2.100 2.520 2.388 2.388 2.388 . 0 0 "[ ]" 1
130 2 11 DT H1' 2 11 DT H6 3.850 3.630 4.070 3.704 3.704 3.704 . 0 0 "[ ]" 1
131 2 11 DT H1' 2 12 DC H6 4.550 4.310 4.790 4.188 4.188 4.188 0.122 1 0 "[ ]" 1
132 2 11 DT H2' 2 12 DC H6 4.090 3.870 4.310 3.855 3.855 3.855 0.015 1 0 "[ ]" 1
stop_
save_
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