NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
393865 |
1qxb   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1qxb
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 32
_Distance_constraint_stats_list.Viol_count 25
_Distance_constraint_stats_list.Viol_total 1.350
_Distance_constraint_stats_list.Viol_max 0.101
_Distance_constraint_stats_list.Viol_rms 0.0327
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0422
_Distance_constraint_stats_list.Viol_average_violations_only 0.0540
_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 DC 0.120 0.061 1 0 "[ ]"
1 2 DG 0.177 0.072 1 0 "[ ]"
1 3 DC 0.117 0.074 1 0 "[ ]"
1 4 DG 0.177 0.090 1 0 "[ ]"
1 5 DA 0.086 0.086 1 0 "[ ]"
1 6 DA 0.097 0.097 1 0 "[ ]"
1 7 DT 0.101 0.101 1 0 "[ ]"
1 8 DT 0.057 0.057 1 0 "[ ]"
1 9 DC 0.146 0.055 1 0 "[ ]"
1 10 DG 0.051 0.051 1 0 "[ ]"
1 11 DC 0.159 0.076 1 0 "[ ]"
1 12 DG 0.063 0.047 1 0 "[ ]"
2 1 DC 0.063 0.047 1 0 "[ ]"
2 2 DG 0.159 0.076 1 0 "[ ]"
2 3 DC 0.051 0.051 1 0 "[ ]"
2 4 DG 0.146 0.055 1 0 "[ ]"
2 5 DA 0.057 0.057 1 0 "[ ]"
2 6 DA 0.101 0.101 1 0 "[ ]"
2 7 DT 0.097 0.097 1 0 "[ ]"
2 8 DT 0.086 0.086 1 0 "[ ]"
2 9 DC 0.177 0.090 1 0 "[ ]"
2 10 DG 0.117 0.074 1 0 "[ ]"
2 11 DC 0.177 0.072 1 0 "[ ]"
2 12 DG 0.120 0.061 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 DC N3 2 12 DG N1 2.950 2.850 3.050 2.789 2.789 2.789 0.061 1 0 "[ ]" 1
2 1 1 DC N4 2 12 DG O6 2.910 2.810 3.010 2.779 2.779 2.779 0.031 1 0 "[ ]" 1
3 1 1 DC O2 2 12 DG N2 2.860 2.760 2.960 2.732 2.732 2.732 0.028 1 0 "[ ]" 1
4 1 2 DG N1 2 11 DC N3 2.950 2.850 3.050 2.778 2.778 2.778 0.072 1 0 "[ ]" 1
5 1 2 DG O6 2 11 DC N4 2.910 2.810 3.010 2.757 2.757 2.757 0.053 1 0 "[ ]" 1
6 1 2 DG N2 2 11 DC O2 2.860 2.760 2.960 2.709 2.709 2.709 0.051 1 0 "[ ]" 1
7 1 3 DC N3 2 10 DG N1 2.950 2.850 3.050 2.776 2.776 2.776 0.074 1 0 "[ ]" 1
8 1 3 DC N4 2 10 DG O6 2.910 2.810 3.010 2.779 2.779 2.779 0.031 1 0 "[ ]" 1
9 1 3 DC O2 2 10 DG N2 2.860 2.760 2.960 2.748 2.748 2.748 0.012 1 0 "[ ]" 1
10 1 4 DG N1 2 9 DC N3 2.950 2.850 3.050 2.786 2.786 2.786 0.064 1 0 "[ ]" 1
11 1 4 DG O6 2 9 DC N4 2.910 2.810 3.010 2.720 2.720 2.720 0.090 1 0 "[ ]" 1
12 1 4 DG N2 2 9 DC O2 2.860 2.760 2.960 2.737 2.737 2.737 0.023 1 0 "[ ]" 1
13 1 5 DA N1 2 8 DT N3 2.820 2.720 2.920 2.741 2.741 2.741 . 0 0 "[ ]" 1
14 1 5 DA N6 2 8 DT O4 2.950 2.850 3.050 2.764 2.764 2.764 0.086 1 0 "[ ]" 1
15 1 6 DA N1 2 7 DT N3 2.820 2.720 2.920 2.761 2.761 2.761 . 0 0 "[ ]" 1
16 1 6 DA N6 2 7 DT O4 2.950 2.850 3.050 2.753 2.753 2.753 0.097 1 0 "[ ]" 1
17 1 7 DT N3 2 6 DA N1 2.820 2.720 2.920 2.774 2.774 2.774 . 0 0 "[ ]" 1
18 1 7 DT O4 2 6 DA N6 2.950 2.850 3.050 2.749 2.749 2.749 0.101 1 0 "[ ]" 1
19 1 8 DT N3 2 5 DA N1 2.820 2.720 2.920 2.770 2.770 2.770 . 0 0 "[ ]" 1
20 1 8 DT O4 2 5 DA N6 2.950 2.850 3.050 2.793 2.793 2.793 0.057 1 0 "[ ]" 1
21 1 9 DC N3 2 4 DG N1 2.950 2.850 3.050 2.795 2.795 2.795 0.055 1 0 "[ ]" 1
22 1 9 DC N4 2 4 DG O6 2.910 2.810 3.010 2.758 2.758 2.758 0.052 1 0 "[ ]" 1
23 1 9 DC O2 2 4 DG N2 2.860 2.760 2.960 2.722 2.722 2.722 0.038 1 0 "[ ]" 1
24 1 10 DG N1 2 3 DC N3 2.950 2.850 3.050 2.799 2.799 2.799 0.051 1 0 "[ ]" 1
25 1 10 DG O6 2 3 DC N4 2.910 2.810 3.010 2.818 2.818 2.818 . 0 0 "[ ]" 1
26 1 10 DG N2 2 3 DC O2 2.860 2.760 2.960 2.761 2.761 2.761 . 0 0 "[ ]" 1
27 1 11 DC N3 2 2 DG N1 2.950 2.850 3.050 2.775 2.775 2.775 0.075 1 0 "[ ]" 1
28 1 11 DC N4 2 2 DG O6 2.910 2.810 3.010 2.734 2.734 2.734 0.076 1 0 "[ ]" 1
29 1 11 DC O2 2 2 DG N2 2.860 2.760 2.960 2.752 2.752 2.752 0.008 1 0 "[ ]" 1
30 1 12 DG N1 2 1 DC N3 2.950 2.850 3.050 2.803 2.803 2.803 0.047 1 0 "[ ]" 1
31 1 12 DG O6 2 1 DC N4 2.910 2.810 3.010 2.794 2.794 2.794 0.016 1 0 "[ ]" 1
32 1 12 DG N2 2 1 DC O2 2.860 2.760 2.960 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 92
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 DC 0.000 0.000 . 0 "[ ]"
1 2 DG 0.000 0.000 . 0 "[ ]"
1 3 DC 0.000 0.000 . 0 "[ ]"
1 4 DG 0.000 0.000 . 0 "[ ]"
1 5 DA 0.000 0.000 . 0 "[ ]"
1 6 DA 0.000 0.000 . 0 "[ ]"
1 7 DT 0.000 0.000 . 0 "[ ]"
1 8 DT 0.000 0.000 . 0 "[ ]"
1 9 DC 0.000 0.000 . 0 "[ ]"
1 10 DG 0.000 0.000 . 0 "[ ]"
1 11 DC 0.000 0.000 . 0 "[ ]"
1 12 DG 0.000 0.000 . 0 "[ ]"
2 1 DC 0.000 0.000 . 0 "[ ]"
2 2 DG 0.000 0.000 . 0 "[ ]"
2 3 DC 0.000 0.000 . 0 "[ ]"
2 4 DG 0.000 0.000 . 0 "[ ]"
2 5 DA 0.000 0.000 . 0 "[ ]"
2 6 DA 0.000 0.000 . 0 "[ ]"
2 7 DT 0.000 0.000 . 0 "[ ]"
2 8 DT 0.000 0.000 . 0 "[ ]"
2 9 DC 0.000 0.000 . 0 "[ ]"
2 10 DG 0.000 0.000 . 0 "[ ]"
2 11 DC 0.000 0.000 . 0 "[ ]"
2 12 DG 0.000 0.000 . 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 7 DT H2' 1 8 DT H6 3.950 3.150 4.750 3.684 3.684 3.684 . 0 0 "[ ]" 2
2 2 7 DT H2' 2 8 DT H6 3.870 3.070 4.670 3.660 3.660 3.660 . 0 0 "[ ]" 2
3 1 2 DG H2' 1 3 DC H6 3.750 2.950 4.550 3.436 3.436 3.436 . 0 0 "[ ]" 2
4 2 2 DG H2' 2 3 DC H6 3.810 3.010 4.610 3.420 3.420 3.420 . 0 0 "[ ]" 2
5 1 2 DG H2'' 1 3 DC H6 2.150 . 2.550 2.127 2.127 2.127 . 0 0 "[ ]" 2
6 1 6 DA H2'' 1 7 DT H6 2.190 . 2.590 2.200 2.200 2.200 . 0 0 "[ ]" 2
7 1 7 DT H2'' 1 8 DT H6 2.480 . 2.980 2.323 2.323 2.323 . 0 0 "[ ]" 2
8 1 10 DG H2'' 1 11 DC H6 2.020 . 2.420 2.176 2.176 2.176 . 0 0 "[ ]" 2
9 2 2 DG H2'' 2 3 DC H6 2.070 . 2.470 2.091 2.091 2.091 . 0 0 "[ ]" 2
10 2 6 DA H2'' 2 7 DT H6 2.130 . 2.530 2.194 2.194 2.194 . 0 0 "[ ]" 2
11 2 7 DT H2'' 2 8 DT H6 2.440 . 2.940 2.228 2.228 2.228 . 0 0 "[ ]" 2
12 2 10 DG H2'' 2 11 DC H6 2.100 . 2.500 2.144 2.144 2.144 . 0 0 "[ ]" 2
13 1 7 DT H3' 1 8 DT H6 4.980 3.980 5.980 4.789 4.789 4.789 . 0 0 "[ ]" 2
14 1 8 DT H3' 1 9 DC H6 4.450 3.550 5.350 4.560 4.560 4.560 . 0 0 "[ ]" 2
15 2 7 DT H3' 2 8 DT H6 4.970 3.970 5.970 4.720 4.720 4.720 . 0 0 "[ ]" 2
16 2 8 DT H3' 2 9 DC H6 4.600 3.700 5.500 4.524 4.524 4.524 . 0 0 "[ ]" 2
17 1 6 DA H2' 1 7 DT H6 3.580 2.880 4.280 3.536 3.536 3.536 . 0 0 "[ ]" 2
18 1 10 DG H2' 1 11 DC H6 3.510 2.810 4.210 3.888 3.888 3.888 . 0 0 "[ ]" 2
19 2 6 DA H2' 2 7 DT H6 3.550 2.850 4.250 3.547 3.547 3.547 . 0 0 "[ ]" 2
20 2 10 DG H2' 2 11 DC H6 3.500 2.800 4.200 3.845 3.845 3.845 . 0 0 "[ ]" 2
21 1 3 DC H2'' 1 4 DG H8 2.440 . 2.940 2.438 2.438 2.438 . 0 0 "[ ]" 2
22 1 4 DG H2'' 1 5 DA H8 2.520 2.020 3.020 2.495 2.495 2.495 . 0 0 "[ ]" 2
23 1 9 DC H2'' 1 10 DG H8 2.500 . 3.000 2.477 2.477 2.477 . 0 0 "[ ]" 2
24 2 3 DC H2'' 2 4 DG H8 2.460 . 2.960 2.467 2.467 2.467 . 0 0 "[ ]" 2
25 2 4 DG H2'' 2 5 DA H8 2.470 . 2.970 2.494 2.494 2.494 . 0 0 "[ ]" 2
26 2 9 DC H2'' 2 10 DG H8 2.410 . 2.910 2.467 2.467 2.467 . 0 0 "[ ]" 2
27 1 9 DC H3' 1 10 DG H8 4.670 3.770 5.570 4.918 4.918 4.918 . 0 0 "[ ]" 2
28 2 9 DC H3' 2 10 DG H8 4.690 3.790 5.590 4.748 4.748 4.748 . 0 0 "[ ]" 2
29 1 1 DC H2' 1 2 DG H8 3.020 2.420 3.620 3.091 3.091 3.091 . 0 0 "[ ]" 2
30 1 3 DC H2' 1 4 DG H8 3.730 3.030 4.430 3.591 3.591 3.591 . 0 0 "[ ]" 2
31 1 9 DC H2' 1 10 DG H8 3.580 2.880 4.280 3.427 3.427 3.427 . 0 0 "[ ]" 2
32 1 11 DC H2' 1 12 DG H8 3.310 2.610 4.010 2.990 2.990 2.990 . 0 0 "[ ]" 2
33 2 1 DC H2' 2 2 DG H8 3.060 2.460 3.660 3.169 3.169 3.169 . 0 0 "[ ]" 2
34 2 3 DC H2' 2 4 DG H8 3.510 2.810 4.210 3.671 3.671 3.671 . 0 0 "[ ]" 2
35 2 9 DC H2' 2 10 DG H8 3.370 2.670 4.070 3.219 3.219 3.219 . 0 0 "[ ]" 2
36 2 11 DC H2' 2 12 DG H8 3.420 2.720 4.120 3.023 3.023 3.023 . 0 0 "[ ]" 2
37 1 2 DG H1' 1 3 DC H6 3.470 2.770 4.170 3.513 3.513 3.513 . 0 0 "[ ]" 2
38 1 10 DG H1' 1 11 DC H6 3.300 2.600 4.000 3.175 3.175 3.175 . 0 0 "[ ]" 2
39 2 2 DG H1' 2 3 DC H6 3.340 2.640 4.040 3.493 3.493 3.493 . 0 0 "[ ]" 2
40 2 10 DG H1' 2 11 DC H6 3.150 2.550 3.750 3.230 3.230 3.230 . 0 0 "[ ]" 2
41 1 4 DG H1' 1 5 DA H8 3.370 2.670 4.070 3.438 3.438 3.438 . 0 0 "[ ]" 2
42 2 4 DG H1' 2 5 DA H8 3.490 2.790 4.190 3.249 3.249 3.249 . 0 0 "[ ]" 2
43 1 2 DG H3' 1 3 DC H5 4.870 3.870 5.870 5.178 5.178 5.178 . 0 0 "[ ]" 2
44 1 8 DT H3' 1 9 DC H5 4.960 3.960 5.960 5.075 5.075 5.075 . 0 0 "[ ]" 2
45 1 10 DG H3' 1 11 DC H5 5.140 4.140 6.140 4.667 4.667 4.667 . 0 0 "[ ]" 2
46 2 2 DG H3' 2 3 DC H5 4.930 3.930 5.930 5.123 5.123 5.123 . 0 0 "[ ]" 2
47 2 8 DT H3' 2 9 DC H5 4.810 3.810 5.810 5.011 5.011 5.011 . 0 0 "[ ]" 2
48 2 10 DG H3' 2 11 DC H5 5.290 4.190 6.390 4.718 4.718 4.718 . 0 0 "[ ]" 2
49 1 7 DT H6 1 8 DT H6 5.230 4.230 6.230 5.116 5.116 5.116 . 0 0 "[ ]" 2
50 1 8 DT H6 1 9 DC H6 4.220 3.420 5.020 4.203 4.203 4.203 . 0 0 "[ ]" 2
51 2 7 DT H6 2 8 DT H6 5.420 4.320 6.520 5.137 5.137 5.137 . 0 0 "[ ]" 2
52 2 8 DT H6 2 9 DC H6 4.050 3.250 4.850 4.285 4.285 4.285 . 0 0 "[ ]" 2
53 1 1 DC H6 1 2 DG H8 4.750 3.750 5.750 4.824 4.824 4.824 . 0 0 "[ ]" 2
54 2 1 DC H6 2 2 DG H8 4.440 3.540 5.340 4.883 4.883 4.883 . 0 0 "[ ]" 2
55 1 2 DG H3' 1 3 DC H6 4.940 3.940 5.940 4.796 4.796 4.796 . 0 0 "[ ]" 2
56 1 6 DA H3' 1 7 DT H6 4.680 3.780 5.580 4.732 4.732 4.732 . 0 0 "[ ]" 2
57 1 10 DG H3' 1 11 DC H6 4.550 3.650 5.450 4.755 4.755 4.755 . 0 0 "[ ]" 2
58 2 2 DG H3' 2 3 DC H6 4.720 3.820 5.620 4.754 4.754 4.754 . 0 0 "[ ]" 2
59 2 6 DA H3' 2 7 DT H6 4.830 3.830 5.830 4.726 4.726 4.726 . 0 0 "[ ]" 2
60 2 10 DG H3' 2 11 DC H6 4.860 3.860 5.860 4.723 4.723 4.723 . 0 0 "[ ]" 2
61 1 11 DC H6 1 12 DG H8 4.760 3.760 5.760 4.616 4.616 4.616 . 0 0 "[ ]" 2
62 1 6 DA H8 1 7 DT H6 5.090 4.090 6.090 5.110 5.110 5.110 . 0 0 "[ ]" 2
63 2 11 DC H6 2 12 DG H8 4.730 3.830 5.630 4.622 4.622 4.622 . 0 0 "[ ]" 2
64 2 6 DA H8 2 7 DT H6 4.970 3.970 5.970 5.124 5.124 5.124 . 0 0 "[ ]" 2
65 1 4 DG H8 1 5 DA H8 5.070 4.070 6.070 5.330 5.330 5.330 . 0 0 "[ ]" 2
66 2 4 DG H8 2 5 DA H8 5.040 4.040 6.040 5.278 5.278 5.278 . 0 0 "[ ]" 2
67 1 3 DC H3' 1 4 DG H8 5.040 4.040 6.040 5.132 5.132 5.132 . 0 0 "[ ]" 2
68 1 4 DG H3' 1 5 DA H8 5.370 4.270 6.470 5.160 5.160 5.160 . 0 0 "[ ]" 2
69 1 5 DA H4' 1 6 DA H8 5.640 4.540 6.740 5.830 5.830 5.830 . 0 0 "[ ]" 2
70 2 5 DA H4' 2 6 DA H8 5.850 4.650 7.050 5.824 5.824 5.824 . 0 0 "[ ]" 2
71 1 2 DG H1' 1 3 DC H5 4.300 3.400 5.200 4.574 4.574 4.574 . 0 0 "[ ]" 2
72 1 8 DT H1' 1 9 DC H5 4.580 3.680 5.480 4.451 4.451 4.451 . 0 0 "[ ]" 2
73 1 10 DG H1' 1 11 DC H5 4.520 3.620 5.420 3.693 3.693 3.693 . 0 0 "[ ]" 2
74 2 2 DG H1' 2 3 DC H5 4.270 3.370 5.170 4.619 4.619 4.619 . 0 0 "[ ]" 2
75 2 8 DT H1' 2 9 DC H5 4.660 3.760 5.560 4.473 4.473 4.473 . 0 0 "[ ]" 2
76 2 10 DG H1' 2 11 DC H5 4.510 3.610 5.410 3.763 3.763 3.763 . 0 0 "[ ]" 2
77 1 8 DT H1' 1 9 DC H6 3.710 3.010 4.410 3.563 3.563 3.563 . 0 0 "[ ]" 2
78 2 8 DT H1' 2 9 DC H6 3.490 2.790 4.190 3.556 3.556 3.556 . 0 0 "[ ]" 2
79 1 5 DA H1' 1 6 DA H8 3.550 2.850 4.250 3.469 3.469 3.469 . 0 0 "[ ]" 2
80 2 5 DA H1' 2 6 DA H8 3.520 2.820 4.220 3.440 3.440 3.440 . 0 0 "[ ]" 2
81 1 8 DT H1' 1 9 DC H1' 5.150 4.150 6.150 5.084 5.084 5.084 . 0 0 "[ ]" 2
82 2 8 DT H1' 2 9 DC H1' 5.130 4.130 6.130 4.935 4.935 4.935 . 0 0 "[ ]" 2
83 1 4 DG H1' 1 5 DA H4' 4.580 3.680 5.480 4.674 4.674 4.674 . 0 0 "[ ]" 2
84 1 5 DA H1' 1 6 DA H4' 4.880 3.880 5.880 4.744 4.744 4.744 . 0 0 "[ ]" 2
85 2 4 DG H1' 2 5 DA H4' 4.700 3.800 5.600 4.561 4.561 4.561 . 0 0 "[ ]" 2
86 2 5 DA H1' 2 6 DA H4' 4.800 3.800 5.800 4.777 4.777 4.777 . 0 0 "[ ]" 2
87 1 6 DA H2 2 7 DT H1' 4.960 3.960 5.960 4.911 4.911 4.911 . 0 0 "[ ]" 2
88 1 5 DA H2 2 8 DT H1' 4.690 3.790 5.590 4.842 4.842 4.842 . 0 0 "[ ]" 2
89 1 6 DA H2 2 8 DT H1' 4.230 3.430 5.030 4.117 4.117 4.117 . 0 0 "[ ]" 2
90 1 7 DT H1' 2 6 DA H2 4.870 3.870 5.870 4.914 4.914 4.914 . 0 0 "[ ]" 2
91 1 8 DT H1' 2 5 DA H2 4.880 3.880 5.880 4.789 4.789 4.789 . 0 0 "[ ]" 2
92 1 8 DT H1' 2 6 DA H2 4.170 3.370 4.970 3.961 3.961 3.961 . 0 0 "[ ]" 2
stop_
save_
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