NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
404419 |
1x2v   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x2v
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 30
_Distance_constraint_stats_list.Viol_count 6
_Distance_constraint_stats_list.Viol_total 0.068
_Distance_constraint_stats_list.Viol_max 0.018
_Distance_constraint_stats_list.Viol_rms 0.0054
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0023
_Distance_constraint_stats_list.Viol_average_violations_only 0.0113
_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 0.018 0.018 1 0 "[ ]"
1 2 DA 0.000 0.000 . 0 "[ ]"
1 3 DC 0.012 0.012 1 0 "[ ]"
1 4 DT 0.000 0.000 . 0 "[ ]"
1 5 DG 0.004 0.004 1 0 "[ ]"
1 6 DT 0.000 0.000 . 0 "[ ]"
1 7 DA 0.000 0.000 . 0 "[ ]"
1 8 DC 0.003 0.003 1 0 "[ ]"
1 9 DA 0.000 0.000 . 0 "[ ]"
1 10 DG 0.013 0.013 1 0 "[ ]"
1 11 DT 0.000 0.000 . 0 "[ ]"
1 12 DC 0.018 0.018 1 0 "[ ]"
2 1 DG 0.018 0.018 1 0 "[ ]"
2 2 DA 0.000 0.000 . 0 "[ ]"
2 3 DC 0.013 0.013 1 0 "[ ]"
2 4 DT 0.000 0.000 . 0 "[ ]"
2 5 DG 0.003 0.003 1 0 "[ ]"
2 6 DT 0.000 0.000 . 0 "[ ]"
2 7 DA 0.000 0.000 . 0 "[ ]"
2 8 DC 0.004 0.004 1 0 "[ ]"
2 9 DA 0.000 0.000 . 0 "[ ]"
2 10 DG 0.012 0.012 1 0 "[ ]"
2 11 DT 0.000 0.000 . 0 "[ ]"
2 12 DC 0.018 0.018 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 O6 2 12 DC N4 2.900 2.650 3.150 2.973 2.973 2.973 . 0 0 "[ ]" 1
2 1 1 DG H1 2 12 DC N3 1.850 . 1.950 1.968 1.968 1.968 0.018 1 0 "[ ]" 1
3 1 1 DG N2 2 12 DC O2 2.900 2.650 3.150 2.770 2.770 2.770 . 0 0 "[ ]" 1
4 1 2 DA N6 2 11 DT O4 2.900 2.650 3.150 2.877 2.877 2.877 . 0 0 "[ ]" 1
5 1 2 DA N1 2 11 DT H3 1.850 . 1.950 1.850 1.850 1.850 . 0 0 "[ ]" 1
6 1 3 DC N4 2 10 DG O6 2.900 2.650 3.150 2.981 2.981 2.981 . 0 0 "[ ]" 1
7 1 3 DC N3 2 10 DG H1 1.850 . 1.950 1.962 1.962 1.962 0.012 1 0 "[ ]" 1
8 1 3 DC O2 2 10 DG N2 2.900 2.650 3.150 2.788 2.788 2.788 . 0 0 "[ ]" 1
9 1 4 DT O4 2 9 DA N6 2.900 2.650 3.150 2.756 2.756 2.756 . 0 0 "[ ]" 1
10 1 4 DT H3 2 9 DA N1 1.850 . 1.950 1.783 1.783 1.783 . 0 0 "[ ]" 1
11 1 5 DG O6 2 8 DC N4 2.900 2.650 3.150 2.986 2.986 2.986 . 0 0 "[ ]" 1
12 1 5 DG H1 2 8 DC N3 1.850 . 1.950 1.954 1.954 1.954 0.004 1 0 "[ ]" 1
13 1 5 DG N2 2 8 DC O2 2.900 2.650 3.150 2.778 2.778 2.778 . 0 0 "[ ]" 1
14 1 6 DT O4 2 7 DA N6 2.900 2.650 3.150 2.886 2.886 2.886 . 0 0 "[ ]" 1
15 1 6 DT H3 2 7 DA N1 1.850 . 1.950 1.830 1.830 1.830 . 0 0 "[ ]" 1
16 1 7 DA N6 2 6 DT O4 2.900 2.650 3.150 2.885 2.885 2.885 . 0 0 "[ ]" 1
17 1 7 DA N1 2 6 DT H3 1.850 . 1.950 1.827 1.827 1.827 . 0 0 "[ ]" 1
18 1 8 DC N4 2 5 DG O6 2.900 2.650 3.150 2.988 2.988 2.988 . 0 0 "[ ]" 1
19 1 8 DC N3 2 5 DG H1 1.850 . 1.950 1.953 1.953 1.953 0.003 1 0 "[ ]" 1
20 1 8 DC O2 2 5 DG N2 2.900 2.650 3.150 2.778 2.778 2.778 . 0 0 "[ ]" 1
21 1 9 DA N6 2 4 DT O4 2.900 2.650 3.150 2.755 2.755 2.755 . 0 0 "[ ]" 1
22 1 9 DA N1 2 4 DT H3 1.850 . 1.950 1.777 1.777 1.777 . 0 0 "[ ]" 1
23 1 10 DG O6 2 3 DC N4 2.900 2.650 3.150 2.985 2.985 2.985 . 0 0 "[ ]" 1
24 1 10 DG H1 2 3 DC N3 1.850 . 1.950 1.963 1.963 1.963 0.013 1 0 "[ ]" 1
25 1 10 DG N2 2 3 DC O2 2.900 2.650 3.150 2.786 2.786 2.786 . 0 0 "[ ]" 1
26 1 11 DT O4 2 2 DA N6 2.900 2.650 3.150 2.886 2.886 2.886 . 0 0 "[ ]" 1
27 1 11 DT H3 2 2 DA N1 1.850 . 1.950 1.842 1.842 1.842 . 0 0 "[ ]" 1
28 1 12 DC N4 2 1 DG O6 2.900 2.650 3.150 2.977 2.977 2.977 . 0 0 "[ ]" 1
29 1 12 DC N3 2 1 DG H1 1.850 . 1.950 1.968 1.968 1.968 0.018 1 0 "[ ]" 1
30 1 12 DC O2 2 1 DG N2 2.900 2.650 3.150 2.768 2.768 2.768 . 0 0 "[ ]" 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 106
_Distance_constraint_stats_list.Viol_count 38
_Distance_constraint_stats_list.Viol_total 2.130
_Distance_constraint_stats_list.Viol_max 0.158
_Distance_constraint_stats_list.Viol_rms 0.0394
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0201
_Distance_constraint_stats_list.Viol_average_violations_only 0.0561
_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 DG 0.033 0.033 1 0 "[ ]"
1 2 DA 0.083 0.036 1 0 "[ ]"
1 3 DC 0.050 0.036 1 0 "[ ]"
1 4 DT 0.072 0.072 1 0 "[ ]"
1 5 DG 0.248 0.157 1 0 "[ ]"
1 6 DT 0.233 0.142 1 0 "[ ]"
1 7 DA 0.161 0.070 1 0 "[ ]"
1 8 DC 0.276 0.122 1 0 "[ ]"
1 9 DA 0.132 0.082 1 0 "[ ]"
1 10 DG 0.042 0.038 1 0 "[ ]"
1 11 DT 0.178 0.121 1 0 "[ ]"
1 12 DC 0.054 0.054 1 0 "[ ]"
2 1 DG 0.031 0.031 1 0 "[ ]"
2 2 DA 0.078 0.037 1 0 "[ ]"
2 3 DC 0.048 0.037 1 0 "[ ]"
2 4 DT 0.073 0.073 1 0 "[ ]"
2 5 DG 0.249 0.158 1 0 "[ ]"
2 6 DT 0.231 0.141 1 0 "[ ]"
2 7 DA 0.160 0.068 1 0 "[ ]"
2 8 DC 0.273 0.122 1 0 "[ ]"
2 9 DA 0.130 0.080 1 0 "[ ]"
2 10 DG 0.042 0.039 1 0 "[ ]"
2 11 DT 0.178 0.122 1 0 "[ ]"
2 12 DC 0.054 0.054 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 2 DA H8 3.750 3.530 3.970 3.497 3.497 3.497 0.033 1 0 "[ ]" 2
2 1 6 DT H1' 1 7 DA H8 3.790 3.560 4.020 3.504 3.504 3.504 0.056 1 0 "[ ]" 2
3 1 8 DC H1' 1 9 DA H8 3.910 3.670 4.150 3.588 3.588 3.588 0.082 1 0 "[ ]" 2
4 1 4 DT H1' 1 5 DG H8 3.840 3.610 4.070 3.538 3.538 3.538 0.072 1 0 "[ ]" 2
5 1 9 DA H1' 1 10 DG H8 3.700 3.480 3.920 3.442 3.442 3.442 0.038 1 0 "[ ]" 2
6 1 2 DA H1' 1 3 DC H6 3.640 3.420 3.860 3.384 3.384 3.384 0.036 1 0 "[ ]" 2
7 1 7 DA H1' 1 8 DC H6 3.880 3.650 4.110 3.580 3.580 3.580 0.070 1 0 "[ ]" 2
8 1 5 DG H1' 1 6 DT H6 3.500 3.280 3.720 3.262 3.262 3.262 0.018 1 0 "[ ]" 2
9 1 1 DG H2'' 1 2 DA H8 2.380 2.170 2.590 2.336 2.336 2.336 . 0 0 "[ ]" 2
10 1 11 DT H2'' 1 12 DC H6 2.530 2.320 2.740 2.266 2.266 2.266 0.054 1 0 "[ ]" 2
11 1 6 DT H2'' 1 7 DA H8 2.410 2.200 2.620 2.587 2.587 2.587 . 0 0 "[ ]" 2
12 1 4 DT H2'' 1 5 DG H8 2.370 2.160 2.580 2.283 2.283 2.283 . 0 0 "[ ]" 2
13 1 9 DA H2'' 1 10 DG H8 2.400 2.190 2.610 2.551 2.551 2.551 . 0 0 "[ ]" 2
14 1 10 DG H2'' 1 11 DT H6 2.430 2.220 2.640 2.217 2.217 2.217 0.003 1 0 "[ ]" 2
15 1 5 DG H2'' 1 6 DT H6 2.300 2.090 2.510 2.306 2.306 2.306 . 0 0 "[ ]" 2
16 1 2 DA H2'' 1 3 DC H6 2.340 2.130 2.550 2.197 2.197 2.197 . 0 0 "[ ]" 2
17 1 7 DA H2'' 1 8 DC H6 2.250 2.040 2.460 2.345 2.345 2.345 . 0 0 "[ ]" 2
18 1 8 DC H2'' 1 9 DA H8 2.560 2.340 2.780 2.492 2.492 2.492 . 0 0 "[ ]" 2
19 1 6 DT H2' 1 7 DA H8 3.960 3.730 4.190 3.713 3.713 3.713 0.017 1 0 "[ ]" 2
20 1 10 DG H2' 1 11 DT H6 3.430 3.220 3.640 3.509 3.509 3.509 . 0 0 "[ ]" 2
21 1 5 DG H2' 1 6 DT H6 3.700 3.480 3.920 3.631 3.631 3.631 . 0 0 "[ ]" 2
22 1 2 DA H2' 1 3 DC H6 3.900 3.670 4.130 3.657 3.657 3.657 0.013 1 0 "[ ]" 2
23 1 7 DA H2' 1 8 DC H6 3.530 3.310 3.750 3.662 3.662 3.662 . 0 0 "[ ]" 2
24 1 2 DA H1' 1 2 DA H8 3.890 3.670 4.110 3.895 3.895 3.895 . 0 0 "[ ]" 2
25 1 6 DT H1' 1 6 DT H6 3.640 3.410 3.870 3.712 3.712 3.712 . 0 0 "[ ]" 2
26 1 8 DC H1' 1 8 DC H6 3.660 3.430 3.890 3.724 3.724 3.724 . 0 0 "[ ]" 2
27 1 7 DA H1' 1 7 DA H8 3.640 3.410 3.870 3.889 3.889 3.889 0.019 1 0 "[ ]" 2
28 1 9 DA H1' 1 9 DA H8 3.650 3.420 3.880 3.891 3.891 3.891 0.011 1 0 "[ ]" 2
29 1 1 DG H1' 1 1 DG H8 3.800 3.570 4.030 3.882 3.882 3.882 . 0 0 "[ ]" 2
30 1 5 DG H1' 1 5 DG H8 3.800 3.570 4.030 3.878 3.878 3.878 . 0 0 "[ ]" 2
31 1 12 DC H1' 1 12 DC H6 3.730 3.500 3.960 3.735 3.735 3.735 . 0 0 "[ ]" 2
32 1 11 DT H1' 1 11 DT H6 3.730 3.500 3.960 3.711 3.711 3.711 . 0 0 "[ ]" 2
33 1 7 DA H2'' 1 7 DA H8 3.430 2.680 4.180 3.850 3.850 3.850 . 0 0 "[ ]" 2
34 1 7 DA H2' 1 7 DA H8 2.190 . 2.740 2.452 2.452 2.452 . 0 0 "[ ]" 2
35 1 5 DG H2' 1 5 DG H8 2.100 . 2.520 2.352 2.352 2.352 . 0 0 "[ ]" 2
36 1 10 DG H2' 1 10 DG H8 2.300 . 2.890 2.383 2.383 2.383 . 0 0 "[ ]" 2
37 1 6 DT H1' 1 6 DT H2'' 2.240 2.030 2.450 2.378 2.378 2.378 . 0 0 "[ ]" 2
38 1 8 DC H1' 1 8 DC H2'' 2.160 . 2.370 2.372 2.372 2.372 0.002 1 0 "[ ]" 2
39 1 7 DA H1' 1 7 DA H2'' 2.320 2.110 2.530 2.386 2.386 2.386 . 0 0 "[ ]" 2
40 1 9 DA H1' 1 9 DA H2'' 2.330 2.120 2.540 2.388 2.388 2.388 . 0 0 "[ ]" 2
41 1 10 DG H1' 1 10 DG H2'' 2.320 2.110 2.530 2.383 2.383 2.383 . 0 0 "[ ]" 2
42 1 11 DT H1' 1 11 DT H2'' 2.300 2.090 2.510 2.376 2.376 2.376 . 0 0 "[ ]" 2
43 1 3 DC H1' 1 3 DC H2'' 2.250 2.210 2.460 2.364 2.364 2.364 . 0 0 "[ ]" 2
44 1 4 DT H1' 1 4 DT H2'' 2.540 2.330 2.750 2.374 2.374 2.374 . 0 0 "[ ]" 2
45 1 5 DG H1' 1 5 DG H2'' 2.320 2.110 2.530 2.367 2.367 2.367 . 0 0 "[ ]" 2
46 1 2 DA H1' 1 2 DA H2' 2.990 2.770 3.210 3.065 3.065 3.065 . 0 0 "[ ]" 2
47 1 6 DT H1' 1 6 DT H2' 2.690 2.470 2.910 3.052 3.052 3.052 0.142 1 0 "[ ]" 2
48 1 8 DC H1' 1 8 DC H2' 2.710 2.490 2.930 3.052 3.052 3.052 0.122 1 0 "[ ]" 2
49 1 11 DT H1' 1 11 DT H2' 2.710 2.490 2.930 3.051 3.051 3.051 0.121 1 0 "[ ]" 2
50 1 3 DC H1' 1 3 DC H2' 3.000 2.780 3.220 3.053 3.053 3.053 . 0 0 "[ ]" 2
51 1 4 DT H1' 1 4 DT H2' 2.850 2.630 3.070 3.059 3.059 3.059 . 0 0 "[ ]" 2
52 1 1 DG H1' 1 1 DG H2' 2.860 2.640 3.080 3.055 3.055 3.055 . 0 0 "[ ]" 2
53 1 5 DG H1' 1 5 DG H2' 2.670 2.450 2.890 3.047 3.047 3.047 0.157 1 0 "[ ]" 2
54 2 1 DG H1' 2 2 DA H8 3.750 3.530 3.970 3.499 3.499 3.499 0.031 1 0 "[ ]" 2
55 2 6 DT H1' 2 7 DA H8 3.790 3.560 4.020 3.505 3.505 3.505 0.055 1 0 "[ ]" 2
56 2 8 DC H1' 2 9 DA H8 3.910 3.670 4.150 3.590 3.590 3.590 0.080 1 0 "[ ]" 2
57 2 4 DT H1' 2 5 DG H8 3.840 3.610 4.070 3.537 3.537 3.537 0.073 1 0 "[ ]" 2
58 2 9 DA H1' 2 10 DG H8 3.700 3.480 3.920 3.441 3.441 3.441 0.039 1 0 "[ ]" 2
59 2 2 DA H1' 2 3 DC H6 3.640 3.420 3.860 3.383 3.383 3.383 0.037 1 0 "[ ]" 2
60 2 7 DA H1' 2 8 DC H6 3.880 3.650 4.110 3.582 3.582 3.582 0.068 1 0 "[ ]" 2
61 2 5 DG H1' 2 6 DT H6 3.500 3.280 3.720 3.262 3.262 3.262 0.018 1 0 "[ ]" 2
62 2 1 DG H2'' 2 2 DA H8 2.380 2.170 2.590 2.354 2.354 2.354 . 0 0 "[ ]" 2
63 2 11 DT H2'' 2 12 DC H6 2.530 2.320 2.740 2.266 2.266 2.266 0.054 1 0 "[ ]" 2
64 2 6 DT H2'' 2 7 DA H8 2.410 2.200 2.620 2.591 2.591 2.591 . 0 0 "[ ]" 2
65 2 4 DT H2'' 2 5 DG H8 2.370 2.160 2.580 2.281 2.281 2.281 . 0 0 "[ ]" 2
66 2 9 DA H2'' 2 10 DG H8 2.400 2.190 2.610 2.551 2.551 2.551 . 0 0 "[ ]" 2
67 2 10 DG H2'' 2 11 DT H6 2.430 2.220 2.640 2.217 2.217 2.217 0.003 1 0 "[ ]" 2
68 2 5 DG H2'' 2 6 DT H6 2.300 2.090 2.510 2.297 2.297 2.297 . 0 0 "[ ]" 2
69 2 2 DA H2'' 2 3 DC H6 2.340 2.130 2.550 2.195 2.195 2.195 . 0 0 "[ ]" 2
70 2 7 DA H2'' 2 8 DC H6 2.250 2.040 2.460 2.361 2.361 2.361 . 0 0 "[ ]" 2
71 2 8 DC H2'' 2 9 DA H8 2.560 2.340 2.780 2.491 2.491 2.491 . 0 0 "[ ]" 2
72 2 6 DT H2' 2 7 DA H8 3.960 3.730 4.190 3.712 3.712 3.712 0.018 1 0 "[ ]" 2
73 2 10 DG H2' 2 11 DT H6 3.430 3.220 3.640 3.515 3.515 3.515 . 0 0 "[ ]" 2
74 2 5 DG H2' 2 6 DT H6 3.700 3.480 3.920 3.624 3.624 3.624 . 0 0 "[ ]" 2
75 2 2 DA H2' 2 3 DC H6 3.900 3.670 4.130 3.659 3.659 3.659 0.011 1 0 "[ ]" 2
76 2 7 DA H2' 2 8 DC H6 3.530 3.310 3.750 3.674 3.674 3.674 . 0 0 "[ ]" 2
77 2 2 DA H1' 2 2 DA H8 3.890 3.670 4.110 3.895 3.895 3.895 . 0 0 "[ ]" 2
78 2 6 DT H1' 2 6 DT H6 3.640 3.410 3.870 3.711 3.711 3.711 . 0 0 "[ ]" 2
79 2 8 DC H1' 2 8 DC H6 3.660 3.430 3.890 3.724 3.724 3.724 . 0 0 "[ ]" 2
80 2 7 DA H1' 2 7 DA H8 3.640 3.410 3.870 3.889 3.889 3.889 0.019 1 0 "[ ]" 2
81 2 9 DA H1' 2 9 DA H8 3.650 3.420 3.880 3.891 3.891 3.891 0.011 1 0 "[ ]" 2
82 2 5 DG H1' 2 5 DG H8 3.800 3.570 4.030 3.879 3.879 3.879 . 0 0 "[ ]" 2
83 2 1 DG H1' 2 1 DG H8 3.800 3.570 4.030 3.883 3.883 3.883 . 0 0 "[ ]" 2
84 2 12 DC H1' 2 12 DC H6 3.730 3.500 3.960 3.735 3.735 3.735 . 0 0 "[ ]" 2
85 2 11 DT H1' 2 11 DT H6 3.730 3.500 3.960 3.711 3.711 3.711 . 0 0 "[ ]" 2
86 2 7 DA H2'' 2 7 DA H8 3.430 2.680 4.180 3.846 3.846 3.846 . 0 0 "[ ]" 2
87 2 7 DA H2' 2 7 DA H8 2.190 . 2.740 2.449 2.449 2.449 . 0 0 "[ ]" 2
88 2 5 DG H2' 2 5 DG H8 2.100 . 2.520 2.352 2.352 2.352 . 0 0 "[ ]" 2
89 2 10 DG H2' 2 10 DG H8 2.300 . 2.890 2.381 2.381 2.381 . 0 0 "[ ]" 2
90 2 6 DT H1' 2 6 DT H2'' 2.240 2.030 2.450 2.376 2.376 2.376 . 0 0 "[ ]" 2
91 2 8 DC H1' 2 8 DC H2'' 2.160 . 2.370 2.372 2.372 2.372 0.002 1 0 "[ ]" 2
92 2 7 DA H1' 2 7 DA H2'' 2.320 2.110 2.530 2.386 2.386 2.386 . 0 0 "[ ]" 2
93 2 9 DA H1' 2 9 DA H2'' 2.330 2.120 2.540 2.387 2.387 2.387 . 0 0 "[ ]" 2
94 2 10 DG H1' 2 10 DG H2'' 2.320 2.110 2.530 2.382 2.382 2.382 . 0 0 "[ ]" 2
95 2 11 DT H1' 2 11 DT H2'' 2.300 2.090 2.510 2.379 2.379 2.379 . 0 0 "[ ]" 2
96 2 3 DC H1' 2 3 DC H2'' 2.250 2.040 2.460 2.365 2.365 2.365 . 0 0 "[ ]" 2
97 2 4 DT H1' 2 4 DT H2'' 2.540 2.330 2.750 2.375 2.375 2.375 . 0 0 "[ ]" 2
98 2 5 DG H1' 2 5 DG H2'' 2.320 2.110 2.530 2.368 2.368 2.368 . 0 0 "[ ]" 2
99 2 2 DA H1' 2 2 DA H2' 2.990 2.770 3.210 3.065 3.065 3.065 . 0 0 "[ ]" 2
100 2 6 DT H1' 2 6 DT H2' 2.690 2.470 2.910 3.051 3.051 3.051 0.141 1 0 "[ ]" 2
101 2 8 DC H1' 2 8 DC H2' 2.710 2.490 2.930 3.052 3.052 3.052 0.122 1 0 "[ ]" 2
102 2 11 DT H1' 2 11 DT H2' 2.710 2.490 2.930 3.052 3.052 3.052 0.122 1 0 "[ ]" 2
103 2 3 DC H1' 2 3 DC H2' 3.000 2.780 3.220 3.054 3.054 3.054 . 0 0 "[ ]" 2
104 2 4 DT H1' 2 4 DT H2' 2.850 2.630 3.070 3.058 3.058 3.058 . 0 0 "[ ]" 2
105 2 1 DG H1' 2 1 DG H2' 2.860 2.640 3.080 3.057 3.057 3.057 . 0 0 "[ ]" 2
106 2 5 DG H1' 2 5 DG H2' 2.670 2.450 2.890 3.048 3.048 3.048 0.158 1 0 "[ ]" 2
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