NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
571015 |
2mer   |
18974 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mer
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 22
_Distance_constraint_stats_list.Viol_count 55
_Distance_constraint_stats_list.Viol_total 12.210
_Distance_constraint_stats_list.Viol_max 0.052
_Distance_constraint_stats_list.Viol_rms 0.0120
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0056
_Distance_constraint_stats_list.Viol_average_violations_only 0.0222
_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 G 0.018 0.005 5 0 "[ . 1]"
1 2 G 0.013 0.004 1 0 "[ . 1]"
1 3 C 0.000 0.000 . 0 "[ . 1]"
1 4 C 0.000 0.000 . 0 "[ . 1]"
1 5 G 0.324 0.036 10 0 "[ . 1]"
1 15 C 0.455 0.052 10 0 "[ . 1]"
1 16 G 0.780 0.052 10 0 "[ . 1]"
1 17 G 0.282 0.023 3 0 "[ . 1]"
1 18 U 0.428 0.023 3 0 "[ . 1]"
1 19 C 0.141 0.017 8 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 G O6 1 2 G O6 4.600 4.100 5.100 4.193 4.096 4.701 0.004 1 0 "[ . 1]" 1
2 1 1 G N2 1 2 G N2 4.800 4.300 5.300 4.793 4.714 4.872 . 0 0 "[ . 1]" 1
3 1 2 G O6 1 3 C N4 4.700 4.200 5.200 4.345 4.282 4.430 . 0 0 "[ . 1]" 1
4 1 2 G N2 1 3 C O2 3.500 3.000 4.000 3.766 3.748 3.795 . 0 0 "[ . 1]" 1
5 1 3 C N4 1 4 C N4 3.700 3.200 4.200 4.119 4.069 4.197 . 0 0 "[ . 1]" 1
6 1 3 C O2 1 4 C O2 4.800 4.300 5.300 4.608 4.550 4.651 . 0 0 "[ . 1]" 1
7 1 4 C N4 1 5 G O6 5.400 4.900 5.900 5.463 5.429 5.505 . 0 0 "[ . 1]" 1
8 1 4 C O2 1 5 G N2 6.500 6.000 7.000 6.526 6.467 6.587 . 0 0 "[ . 1]" 1
9 1 18 U O2 1 19 C O2 5.000 4.500 5.500 4.782 4.713 4.884 . 0 0 "[ . 1]" 1
10 1 18 U O4 1 19 C N4 4.900 4.400 5.400 4.386 4.383 4.388 0.017 8 0 "[ . 1]" 1
11 1 17 G N2 1 18 U O2 3.200 2.700 3.700 3.718 3.716 3.723 0.023 3 0 "[ . 1]" 1
12 1 17 G O6 1 18 U O4 3.900 3.400 4.400 4.410 4.405 4.419 0.019 5 0 "[ . 1]" 1
13 1 16 G O6 1 17 G O6 4.900 4.400 5.400 4.558 4.522 4.612 . 0 0 "[ . 1]" 1
14 1 16 G N2 1 17 G N2 4.600 4.100 5.100 4.398 4.335 4.448 . 0 0 "[ . 1]" 1
15 1 15 C N4 1 16 G O6 5.300 4.800 5.800 4.754 4.748 4.764 0.052 10 0 "[ . 1]" 1
16 1 15 C O2 1 16 G N2 6.400 5.900 6.900 6.461 6.389 6.537 . 0 0 "[ . 1]" 1
17 1 1 G H1 1 2 G H1 4.500 4.000 5.000 4.298 4.250 4.597 . 0 0 "[ . 1]" 1
18 1 1 G H1 1 18 U H3 5.300 4.800 5.800 4.823 4.795 4.852 0.005 5 0 "[ . 1]" 1
19 1 17 G H1 1 18 U H3 3.600 3.100 4.100 4.075 4.063 4.087 . 0 0 "[ . 1]" 1
20 1 2 G H1 1 17 G H1 4.500 4.000 5.000 4.322 4.272 4.397 . 0 0 "[ . 1]" 1
21 1 16 G H1 1 17 G H1 4.500 4.000 5.000 4.160 4.115 4.208 . 0 0 "[ . 1]" 1
22 1 5 G H1 1 16 G H1 4.400 3.900 4.900 4.932 4.928 4.936 0.036 10 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 12
_Distance_constraint_stats_list.Viol_count 10
_Distance_constraint_stats_list.Viol_total 4.626
_Distance_constraint_stats_list.Viol_max 0.050
_Distance_constraint_stats_list.Viol_rms 0.0129
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0039
_Distance_constraint_stats_list.Viol_average_violations_only 0.0463
_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 G 0.000 0.000 . 0 "[ . 1]"
1 2 G 0.000 0.000 . 0 "[ . 1]"
1 3 C 0.000 0.000 . 0 "[ . 1]"
1 4 C 0.463 0.050 3 0 "[ . 1]"
1 5 G 0.000 0.000 . 0 "[ . 1]"
1 15 C 0.000 0.000 . 0 "[ . 1]"
1 16 G 0.000 0.000 . 0 "[ . 1]"
1 17 G 0.463 0.050 3 0 "[ . 1]"
1 18 U 0.000 0.000 . 0 "[ . 1]"
1 19 C 0.000 0.000 . 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 G H1 1 19 C H41 2.300 . 3.000 2.119 1.954 2.318 . 0 0 "[ . 1]" 2
2 1 2 G H1 1 19 C H41 4.500 3.000 6.000 4.810 4.680 5.162 . 0 0 "[ . 1]" 2
3 1 18 U H3 1 19 C H41 4.500 3.000 6.000 4.289 4.204 4.471 . 0 0 "[ . 1]" 2
4 1 2 G H1 1 17 G H22 4.500 3.000 6.000 5.015 4.962 5.059 . 0 0 "[ . 1]" 2
5 1 17 G H22 1 18 U H3 4.500 3.000 6.000 5.407 5.307 5.504 . 0 0 "[ . 1]" 2
6 1 2 G H1 1 18 U H3 2.300 . 3.000 2.317 2.311 2.323 . 0 0 "[ . 1]" 2
7 1 3 C H41 1 17 G H1 2.300 . 3.000 2.083 2.058 2.115 . 0 0 "[ . 1]" 2
8 1 4 C H41 1 17 G H1 3.500 2.500 4.500 4.546 4.544 4.550 0.050 3 0 "[ . 1]" 2
9 1 3 C H41 1 16 G H1 4.500 3.000 6.000 4.529 4.481 4.582 . 0 0 "[ . 1]" 2
10 1 4 C H41 1 16 G H1 2.300 . 3.000 2.239 2.176 2.366 . 0 0 "[ . 1]" 2
11 1 5 G H1 1 15 C H41 2.300 . 3.000 2.573 2.426 2.658 . 0 0 "[ . 1]" 2
12 1 4 C H41 1 15 C H41 4.500 3.000 6.000 5.581 5.546 5.601 . 0 0 "[ . 1]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 27
_Distance_constraint_stats_list.Viol_count 96
_Distance_constraint_stats_list.Viol_total 11.425
_Distance_constraint_stats_list.Viol_max 0.038
_Distance_constraint_stats_list.Viol_rms 0.0073
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0042
_Distance_constraint_stats_list.Viol_average_violations_only 0.0119
_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 G 0.065 0.010 5 0 "[ . 1]"
1 2 G 0.166 0.020 10 0 "[ . 1]"
1 3 C 0.257 0.023 9 0 "[ . 1]"
1 4 C 0.125 0.017 7 0 "[ . 1]"
1 5 G 0.329 0.030 1 0 "[ . 1]"
1 6 PSU 0.199 0.038 6 0 "[ . 1]"
1 14 A 0.199 0.038 6 0 "[ . 1]"
1 15 C 0.329 0.030 1 0 "[ . 1]"
1 16 G 0.125 0.017 7 0 "[ . 1]"
1 17 G 0.257 0.023 9 0 "[ . 1]"
1 18 U 0.166 0.020 10 0 "[ . 1]"
1 19 C 0.065 0.010 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 1 G C1' 1 19 C C1' 10.700 10.500 10.900 10.840 10.622 10.902 0.002 7 0 "[ . 1]" 3
2 1 1 G C8 1 19 C C6 9.700 9.500 9.900 9.765 9.649 9.910 0.010 5 0 "[ . 1]" 3
3 1 2 G C1' 1 18 U C1' 10.700 10.500 10.900 10.716 10.650 10.799 . 0 0 "[ . 1]" 3
4 1 2 G C8 1 18 U C6 9.700 9.500 9.900 9.917 9.913 9.920 0.020 10 0 "[ . 1]" 3
5 1 3 C C1' 1 17 G C1' 10.700 10.500 10.900 10.640 10.614 10.672 . 0 0 "[ . 1]" 3
6 1 3 C C6 1 17 G C8 9.700 9.500 9.900 9.908 9.896 9.918 0.018 8 0 "[ . 1]" 3
7 1 4 C C1' 1 16 G C1' 10.700 10.500 10.900 10.530 10.513 10.544 . 0 0 "[ . 1]" 3
8 1 4 C C6 1 16 G C8 9.700 9.500 9.900 9.826 9.767 9.856 . 0 0 "[ . 1]" 3
9 1 5 G C1' 1 15 C C1' 10.700 10.500 10.900 10.880 10.866 10.902 0.002 4 0 "[ . 1]" 3
10 1 5 G C8 1 15 C C6 9.700 9.500 9.900 9.836 9.805 9.872 . 0 0 "[ . 1]" 3
11 1 6 PSU C1' 1 14 A C1' 10.700 10.500 10.900 10.882 10.818 10.938 0.038 6 0 "[ . 1]" 3
12 1 1 G N1 1 19 C N3 2.700 2.500 2.900 2.806 2.686 2.847 . 0 0 "[ . 1]" 3
13 1 1 G O6 1 19 C N4 2.700 2.500 2.900 2.537 2.493 2.904 0.007 9 0 "[ . 1]" 3
14 1 1 G N2 1 19 C O2 2.800 2.600 3.000 2.935 2.650 3.005 0.005 10 0 "[ . 1]" 3
15 1 2 G N1 1 18 U O2 3.100 2.900 3.300 3.017 2.968 3.084 . 0 0 "[ . 1]" 3
16 1 2 G O6 1 18 U N3 2.900 2.700 3.100 3.045 3.039 3.059 . 0 0 "[ . 1]" 3
17 1 3 C N3 1 17 G N1 2.700 2.500 2.900 2.853 2.840 2.868 . 0 0 "[ . 1]" 3
18 1 3 C N4 1 17 G O6 2.700 2.500 2.900 2.917 2.911 2.923 0.023 9 0 "[ . 1]" 3
19 1 3 C O2 1 17 G N2 2.800 2.600 3.000 2.653 2.625 2.689 . 0 0 "[ . 1]" 3
20 1 4 C N3 1 16 G N1 2.700 2.500 2.900 2.798 2.760 2.816 . 0 0 "[ . 1]" 3
21 1 4 C N4 1 16 G O6 2.700 2.500 2.900 2.872 2.798 2.906 0.006 5 0 "[ . 1]" 3
22 1 4 C O2 1 16 G N2 2.800 2.600 3.000 2.589 2.583 2.594 0.017 7 0 "[ . 1]" 3
23 1 5 G N1 1 15 C N3 2.700 2.500 2.900 2.919 2.910 2.930 0.030 1 0 "[ . 1]" 3
24 1 5 G O6 1 15 C N4 2.700 2.500 2.900 2.701 2.678 2.716 . 0 0 "[ . 1]" 3
25 1 5 G N2 1 15 C O2 2.800 2.600 3.000 3.013 3.002 3.026 0.026 6 0 "[ . 1]" 3
26 1 6 PSU N3 1 14 A N1 2.700 2.500 2.900 2.827 2.734 2.921 0.021 2 0 "[ . 1]" 3
27 1 6 PSU O2 1 14 A N6 2.700 2.500 2.900 2.665 2.493 2.870 0.007 1 0 "[ . 1]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 224
_Distance_constraint_stats_list.Viol_count 606
_Distance_constraint_stats_list.Viol_total 358.227
_Distance_constraint_stats_list.Viol_max 0.250
_Distance_constraint_stats_list.Viol_rms 0.0374
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0160
_Distance_constraint_stats_list.Viol_average_violations_only 0.0591
_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 G 1.205 0.125 5 0 "[ . 1]"
1 2 G 2.731 0.125 5 0 "[ . 1]"
1 3 C 1.349 0.075 8 0 "[ . 1]"
1 4 C 2.347 0.191 4 0 "[ . 1]"
1 5 G 3.679 0.191 4 0 "[ . 1]"
1 6 PSU 2.645 0.108 3 0 "[ . 1]"
1 7 A 2.434 0.071 10 0 "[ . 1]"
1 8 A 4.232 0.165 3 0 "[ . 1]"
1 9 C 4.730 0.180 8 0 "[ . 1]"
1 10 PSU 2.674 0.131 7 0 "[ . 1]"
1 11 A 5.802 0.180 8 0 "[ . 1]"
1 12 PSU 6.629 0.250 1 0 "[ . 1]"
1 13 A 3.744 0.250 1 0 "[ . 1]"
1 14 A 2.465 0.071 10 0 "[ . 1]"
1 15 C 3.441 0.134 4 0 "[ . 1]"
1 16 G 4.367 0.170 2 0 "[ . 1]"
1 17 G 5.180 0.182 8 0 "[ . 1]"
1 18 U 4.339 0.195 5 0 "[ . 1]"
1 19 C 2.155 0.195 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 1 G H1' 1 1 G H8 3.500 2.800 4.200 3.656 3.644 3.671 . 0 0 "[ . 1]" 4
2 1 1 G H2' 1 1 G H8 3.500 2.800 4.200 4.206 4.181 4.219 0.019 9 0 "[ . 1]" 4
3 1 1 G H3' 1 1 G H8 2.700 2.200 3.200 3.104 3.053 3.150 . 0 0 "[ . 1]" 4
4 1 1 G H4' 1 1 G H8 4.100 3.200 5.000 4.044 4.009 4.106 . 0 0 "[ . 1]" 4
5 1 2 G H1' 1 2 G H8 3.600 2.900 4.300 3.701 3.697 3.710 . 0 0 "[ . 1]" 4
6 1 2 G H2' 1 2 G H8 3.600 2.900 4.300 4.004 3.971 4.025 . 0 0 "[ . 1]" 4
7 1 2 G H3' 1 2 G H8 2.400 . 2.800 2.896 2.882 2.901 0.101 3 0 "[ . 1]" 4
8 1 2 G H4' 1 2 G H8 4.000 3.100 4.900 4.268 4.227 4.281 . 0 0 "[ . 1]" 4
9 1 1 G H8 1 2 G H8 5.000 4.000 6.000 5.325 5.235 5.647 . 0 0 "[ . 1]" 4
10 1 1 G H1' 1 2 G H8 3.800 3.100 4.500 4.612 4.604 4.625 0.125 5 0 "[ . 1]" 4
11 1 1 G H2' 1 2 G H8 2.400 . 2.800 2.042 2.000 2.060 0.000 5 0 "[ . 1]" 4
12 1 1 G H3' 1 2 G H8 4.000 3.100 4.900 3.271 3.212 3.494 . 0 0 "[ . 1]" 4
13 1 1 G H1' 1 2 G H1' 5.000 4.000 6.000 5.662 5.636 5.739 . 0 0 "[ . 1]" 4
14 1 1 G H2' 1 2 G H1' 4.600 3.700 5.500 4.241 4.198 4.417 . 0 0 "[ . 1]" 4
15 1 3 C H1' 1 3 C H6 3.300 2.800 3.800 3.575 3.566 3.582 . 0 0 "[ . 1]" 4
16 1 3 C H2' 1 3 C H6 3.900 3.200 4.600 3.810 3.773 3.839 . 0 0 "[ . 1]" 4
17 1 3 C H3' 1 3 C H6 2.400 . 2.800 2.577 2.547 2.598 . 0 0 "[ . 1]" 4
18 1 3 C H4' 1 3 C H6 3.900 3.200 4.600 3.873 3.855 3.892 . 0 0 "[ . 1]" 4
19 1 3 C H2' 1 3 C H5 5.000 4.000 6.000 5.289 5.262 5.312 . 0 0 "[ . 1]" 4
20 1 3 C H3' 1 3 C H5 3.600 2.900 4.300 4.370 4.363 4.375 0.075 8 0 "[ . 1]" 4
21 1 2 G H8 1 3 C H6 5.000 4.000 6.000 5.259 5.216 5.328 . 0 0 "[ . 1]" 4
22 1 2 G H1' 1 3 C H6 3.900 3.000 4.800 4.863 4.858 4.866 0.066 1 0 "[ . 1]" 4
23 1 2 G H2' 1 3 C H6 2.400 . 2.800 2.122 2.112 2.130 . 0 0 "[ . 1]" 4
24 1 2 G H3' 1 3 C H6 3.000 2.500 3.500 3.323 3.285 3.363 . 0 0 "[ . 1]" 4
25 1 2 G H1' 1 3 C H5 5.000 4.000 6.000 5.973 5.925 6.011 0.011 5 0 "[ . 1]" 4
26 1 2 G H2' 1 3 C H5 3.600 2.900 4.300 3.677 3.580 3.740 . 0 0 "[ . 1]" 4
27 1 2 G H3' 1 3 C H5 3.600 2.900 4.300 3.526 3.474 3.587 . 0 0 "[ . 1]" 4
28 1 2 G H8 1 3 C H5 4.000 3.100 4.900 4.716 4.693 4.756 . 0 0 "[ . 1]" 4
29 1 2 G H1' 1 3 C H1' 5.000 4.000 6.000 5.553 5.469 5.614 . 0 0 "[ . 1]" 4
30 1 4 C H1' 1 4 C H6 3.500 2.800 4.200 3.580 3.565 3.587 . 0 0 "[ . 1]" 4
31 1 4 C H2' 1 4 C H6 3.600 2.900 4.300 3.797 3.767 3.842 . 0 0 "[ . 1]" 4
32 1 4 C H3' 1 4 C H6 2.500 2.100 2.900 2.704 2.684 2.747 . 0 0 "[ . 1]" 4
33 1 4 C H4' 1 4 C H6 3.400 2.700 4.100 3.866 3.845 3.880 . 0 0 "[ . 1]" 4
34 1 4 C H3' 1 4 C H5 3.500 3.000 4.500 4.518 4.508 4.528 0.028 8 0 "[ . 1]" 4
35 1 3 C H6 1 4 C H6 5.000 4.000 6.000 5.206 5.157 5.303 . 0 0 "[ . 1]" 4
36 1 3 C H1' 1 4 C H6 4.300 3.400 5.200 5.038 5.018 5.058 . 0 0 "[ . 1]" 4
37 1 3 C H2' 1 4 C H6 2.400 . 2.800 2.268 2.251 2.290 . 0 0 "[ . 1]" 4
38 1 3 C H3' 1 4 C H6 3.600 2.800 4.400 3.212 3.114 3.277 . 0 0 "[ . 1]" 4
39 1 3 C H2' 1 4 C H5 3.700 3.000 4.400 3.658 3.613 3.700 . 0 0 "[ . 1]" 4
40 1 3 C H3' 1 4 C H5 4.000 3.000 5.000 3.323 3.234 3.379 . 0 0 "[ . 1]" 4
41 1 5 G H1' 1 5 G H8 3.800 3.100 4.500 3.735 3.705 3.751 . 0 0 "[ . 1]" 4
42 1 5 G H2' 1 5 G H8 3.800 3.100 4.500 3.987 3.944 4.053 . 0 0 "[ . 1]" 4
43 1 5 G H3' 1 5 G H8 2.500 2.100 2.900 2.708 2.632 2.876 . 0 0 "[ . 1]" 4
44 1 4 C H6 1 5 G H8 5.000 4.000 6.000 5.599 5.511 5.678 . 0 0 "[ . 1]" 4
45 1 4 C H1' 1 5 G H8 3.800 3.100 4.500 4.671 4.660 4.691 0.191 4 0 "[ . 1]" 4
46 1 4 C H2' 1 5 G H8 2.500 2.100 2.900 2.054 2.034 2.061 0.066 9 0 "[ . 1]" 4
47 1 4 C H3' 1 5 G H8 3.600 2.900 4.300 3.572 3.525 3.594 . 0 0 "[ . 1]" 4
48 1 4 C H1' 1 5 G H1' 5.000 4.000 6.000 5.396 5.205 5.550 . 0 0 "[ . 1]" 4
49 1 6 PSU H1' 1 6 PSU H6 3.600 2.900 4.300 3.574 3.567 3.580 . 0 0 "[ . 1]" 4
50 1 6 PSU H2' 1 6 PSU H6 3.600 2.900 4.300 4.100 4.071 4.128 . 0 0 "[ . 1]" 4
51 1 6 PSU H3' 1 6 PSU H6 2.800 2.300 3.300 3.343 3.290 3.384 0.084 2 0 "[ . 1]" 4
52 1 6 PSU H4' 1 6 PSU H6 4.500 3.600 5.400 4.332 4.325 4.341 . 0 0 "[ . 1]" 4
53 1 5 G H8 1 6 PSU H6 5.000 4.000 6.000 4.481 4.359 4.565 . 0 0 "[ . 1]" 4
54 1 5 G H1' 1 6 PSU H6 3.800 3.100 4.500 4.598 4.593 4.608 0.108 3 0 "[ . 1]" 4
55 1 5 G H2' 1 6 PSU H6 2.600 2.200 3.000 2.147 2.137 2.156 0.063 1 0 "[ . 1]" 4
56 1 5 G H3' 1 6 PSU H6 3.100 2.600 3.600 2.937 2.838 3.041 . 0 0 "[ . 1]" 4
57 1 5 G H4' 1 6 PSU H6 5.000 4.000 6.000 5.483 5.432 5.552 . 0 0 "[ . 1]" 4
58 1 5 G H1' 1 6 PSU H1' 5.000 4.000 6.000 4.676 4.529 4.833 . 0 0 "[ . 1]" 4
59 1 7 A H1' 1 7 A H8 4.100 3.200 5.000 3.641 3.601 3.679 . 0 0 "[ . 1]" 4
60 1 7 A H2' 1 7 A H8 4.000 3.100 4.900 4.207 4.111 4.280 . 0 0 "[ . 1]" 4
61 1 7 A H3' 1 7 A H8 2.800 2.300 3.300 3.283 3.170 3.365 0.065 3 0 "[ . 1]" 4
62 1 7 A H1' 1 7 A H2 5.000 4.000 6.000 4.859 4.800 4.914 . 0 0 "[ . 1]" 4
63 1 6 PSU H6 1 7 A H8 5.000 4.000 6.000 5.614 5.252 5.879 . 0 0 "[ . 1]" 4
64 1 6 PSU H1' 1 7 A H8 4.500 3.000 6.000 5.355 5.119 5.694 . 0 0 "[ . 1]" 4
65 1 6 PSU H2' 1 7 A H8 2.800 2.300 3.300 2.596 2.308 3.024 . 0 0 "[ . 1]" 4
66 1 6 PSU H3' 1 7 A H8 2.700 2.200 3.200 3.259 3.247 3.271 0.071 10 0 "[ . 1]" 4
67 1 6 PSU H4' 1 7 A H8 5.000 4.000 6.000 5.599 5.268 6.029 0.029 2 0 "[ . 1]" 4
68 1 6 PSU H1' 1 7 A H1' 5.000 4.000 6.000 4.548 4.457 4.615 . 0 0 "[ . 1]" 4
69 1 8 A H1' 1 8 A H8 3.600 2.900 4.300 3.755 3.709 3.775 . 0 0 "[ . 1]" 4
70 1 8 A H2' 1 8 A H8 3.200 2.700 3.700 3.776 3.723 3.865 0.165 3 0 "[ . 1]" 4
71 1 8 A H3' 1 8 A H8 2.800 2.300 3.300 3.011 2.798 3.088 . 0 0 "[ . 1]" 4
72 1 8 A H4' 1 8 A H8 5.000 4.000 6.000 4.395 4.317 4.480 . 0 0 "[ . 1]" 4
73 1 7 A H8 1 8 A H8 3.500 2.800 4.200 4.243 4.232 4.254 0.054 8 0 "[ . 1]" 4
74 1 7 A H2 1 8 A H8 5.000 4.000 6.000 6.000 5.913 6.020 0.020 10 0 "[ . 1]" 4
75 1 7 A H1' 1 8 A H8 5.000 4.000 6.000 5.460 5.322 5.581 . 0 0 "[ . 1]" 4
76 1 7 A H2' 1 8 A H8 2.900 2.400 3.400 3.371 3.115 3.455 0.055 3 0 "[ . 1]" 4
77 1 7 A H3' 1 8 A H8 2.900 2.400 3.400 2.614 2.371 3.037 0.029 4 0 "[ . 1]" 4
78 1 7 A H2 1 8 A H1' 3.600 2.900 4.300 3.035 2.970 3.092 . 0 0 "[ . 1]" 4
79 1 7 A H1' 1 8 A H1' 5.000 4.000 6.000 5.716 5.678 5.758 . 0 0 "[ . 1]" 4
80 1 7 A H3' 1 8 A H1' 5.000 4.000 6.000 5.299 5.044 5.582 . 0 0 "[ . 1]" 4
81 1 7 A H2' 1 8 A H1' 5.000 4.000 6.000 3.977 3.958 3.999 0.042 7 0 "[ . 1]" 4
82 1 9 C H1' 1 9 C H6 3.400 2.700 4.100 3.662 3.628 3.689 . 0 0 "[ . 1]" 4
83 1 9 C H2' 1 9 C H6 2.900 2.400 3.400 3.226 2.963 3.405 0.005 1 0 "[ . 1]" 4
84 1 9 C H3' 1 9 C H6 2.500 2.100 2.900 2.796 2.592 2.916 0.016 6 0 "[ . 1]" 4
85 1 9 C H4' 1 9 C H6 3.700 3.000 4.400 4.269 4.189 4.362 . 0 0 "[ . 1]" 4
86 1 9 C H3' 1 9 C H5 5.000 4.000 6.000 4.978 4.815 5.187 . 0 0 "[ . 1]" 4
87 1 9 C H2' 1 9 C H5 5.000 4.000 6.000 4.847 4.672 4.968 . 0 0 "[ . 1]" 4
88 1 8 A H8 1 9 C H6 5.000 4.000 6.000 4.499 4.341 4.786 . 0 0 "[ . 1]" 4
89 1 8 A H1' 1 9 C H6 5.000 4.000 6.000 5.650 5.411 5.997 . 0 0 "[ . 1]" 4
90 1 8 A H2' 1 9 C H6 2.900 2.400 3.400 3.058 2.760 3.405 0.005 6 0 "[ . 1]" 4
91 1 8 A H3' 1 9 C H6 3.000 2.500 3.500 3.277 3.204 3.501 0.001 6 0 "[ . 1]" 4
92 1 8 A H8 1 9 C H5 5.000 4.000 6.000 4.168 4.003 4.510 . 0 0 "[ . 1]" 4
93 1 8 A H2' 1 9 C H5 5.000 4.000 6.000 4.820 4.587 5.125 . 0 0 "[ . 1]" 4
94 1 8 A H3' 1 9 C H5 5.000 4.000 6.000 4.035 3.990 4.266 0.010 5 0 "[ . 1]" 4
95 1 8 A H8 1 9 C H1' 5.000 4.000 6.000 6.096 6.066 6.128 0.128 5 0 "[ . 1]" 4
96 1 8 A H2 1 9 C H1' 3.300 2.800 3.800 3.841 3.820 3.862 0.062 2 0 "[ . 1]" 4
97 1 8 A H2' 1 9 C H1' 5.000 4.000 6.000 4.000 3.970 4.034 0.030 1 0 "[ . 1]" 4
98 1 8 A H3' 1 9 C H1' 5.000 4.000 6.000 5.846 5.664 5.970 . 0 0 "[ . 1]" 4
99 1 10 PSU H1' 1 10 PSU H6 3.300 2.800 3.800 3.710 3.671 3.759 . 0 0 "[ . 1]" 4
100 1 10 PSU H2' 1 10 PSU H6 3.500 2.800 4.200 3.758 3.525 3.924 . 0 0 "[ . 1]" 4
101 1 10 PSU H3' 1 10 PSU H6 3.000 2.500 3.500 2.818 2.546 2.967 . 0 0 "[ . 1]" 4
102 1 10 PSU H4' 1 10 PSU H6 3.900 3.200 4.600 4.212 4.163 4.371 . 0 0 "[ . 1]" 4
103 1 9 C H1' 1 10 PSU H6 5.000 4.000 6.000 4.898 4.608 5.092 . 0 0 "[ . 1]" 4
104 1 9 C H2' 1 10 PSU H6 3.600 2.900 4.300 4.309 4.139 4.397 0.097 7 0 "[ . 1]" 4
105 1 9 C H3' 1 10 PSU H6 3.300 2.800 3.800 3.857 3.843 3.870 0.070 7 0 "[ . 1]" 4
106 1 9 C H4' 1 10 PSU H6 4.000 3.100 4.900 3.029 2.969 3.049 0.131 7 0 "[ . 1]" 4
107 1 9 C H1' 1 10 PSU H3' 5.000 4.000 6.000 4.741 4.456 5.003 . 0 0 "[ . 1]" 4
108 1 11 A H1' 1 11 A H8 3.500 2.800 4.200 3.891 3.879 3.897 . 0 0 "[ . 1]" 4
109 1 11 A H2' 1 11 A H8 2.600 2.200 3.000 2.526 2.415 2.659 . 0 0 "[ . 1]" 4
110 1 11 A H3' 1 11 A H8 4.500 3.600 5.400 4.632 4.524 4.679 . 0 0 "[ . 1]" 4
111 1 11 A H4' 1 11 A H8 4.300 3.400 5.200 4.771 4.709 4.831 . 0 0 "[ . 1]" 4
112 1 11 A H1' 1 11 A H2 5.000 4.000 6.000 4.448 4.436 4.473 . 0 0 "[ . 1]" 4
113 1 9 C H1' 1 11 A H8 5.000 4.000 6.000 3.983 3.964 4.023 0.036 8 0 "[ . 1]" 4
114 1 10 PSU H6 1 11 A H8 4.000 3.100 4.900 4.673 3.938 4.935 0.035 1 0 "[ . 1]" 4
115 1 10 PSU H1' 1 11 A H8 5.000 4.000 6.000 6.000 5.824 6.050 0.050 9 0 "[ . 1]" 4
116 1 10 PSU H2' 1 11 A H8 3.000 2.500 3.500 3.438 2.979 3.574 0.074 6 0 "[ . 1]" 4
117 1 10 PSU H3' 1 11 A H8 2.800 2.300 3.300 2.951 2.624 3.375 0.075 7 0 "[ . 1]" 4
118 1 10 PSU H4' 1 11 A H8 5.000 4.000 6.000 5.802 5.613 5.936 . 0 0 "[ . 1]" 4
119 1 8 A H2 1 11 A H2 5.000 4.000 6.000 5.198 4.847 5.322 . 0 0 "[ . 1]" 4
120 1 10 PSU H6 1 11 A H2 5.000 4.000 6.000 6.051 6.030 6.085 0.085 7 0 "[ . 1]" 4
121 1 10 PSU H1' 1 11 A H1' 5.000 4.000 6.000 5.764 5.253 6.008 0.008 6 0 "[ . 1]" 4
122 1 10 PSU H2' 1 11 A H1' 4.200 3.300 5.100 3.838 3.474 4.047 . 0 0 "[ . 1]" 4
123 1 9 C H1' 1 11 A H2' 5.000 4.000 6.000 6.146 6.119 6.180 0.180 8 0 "[ . 1]" 4
124 1 12 PSU H1' 1 12 PSU H6 3.300 2.800 3.800 3.619 3.598 3.651 . 0 0 "[ . 1]" 4
125 1 12 PSU H2' 1 12 PSU H6 3.300 2.800 3.800 3.783 3.695 3.824 0.024 7 0 "[ . 1]" 4
126 1 12 PSU H3' 1 12 PSU H6 3.200 2.700 3.700 3.750 3.568 3.793 0.093 10 0 "[ . 1]" 4
127 1 12 PSU H4' 1 12 PSU H6 4.100 3.200 5.000 4.484 4.447 4.513 . 0 0 "[ . 1]" 4
128 1 11 A H8 1 12 PSU H6 5.000 4.000 6.000 4.932 4.835 5.180 . 0 0 "[ . 1]" 4
129 1 11 A H1' 1 12 PSU H6 4.200 3.300 5.100 4.506 4.202 4.668 . 0 0 "[ . 1]" 4
130 1 11 A H2' 1 12 PSU H6 2.600 2.200 3.000 3.116 3.101 3.142 0.142 1 0 "[ . 1]" 4
131 1 11 A H3' 1 12 PSU H6 4.100 3.200 5.000 4.350 4.279 4.446 . 0 0 "[ . 1]" 4
132 1 8 A H2 1 12 PSU H1' 5.000 4.000 6.000 3.951 3.934 3.994 0.066 9 0 "[ . 1]" 4
133 1 11 A H2 1 12 PSU H1' 3.000 2.500 3.500 3.217 3.049 3.309 . 0 0 "[ . 1]" 4
134 1 11 A H2 1 12 PSU H2' 5.000 4.000 6.000 5.332 5.260 5.405 . 0 0 "[ . 1]" 4
135 1 11 A H1' 1 12 PSU H2' 5.000 4.000 6.000 5.906 5.760 6.007 0.007 6 0 "[ . 1]" 4
136 1 11 A H2 1 12 PSU H3' 5.000 4.000 6.000 6.106 6.063 6.128 0.128 9 0 "[ . 1]" 4
137 1 11 A H2 1 12 PSU H4' 5.000 4.000 6.000 3.959 3.916 4.068 0.084 1 0 "[ . 1]" 4
138 1 13 A H1' 1 13 A H8 3.800 3.100 4.500 3.585 3.571 3.602 . 0 0 "[ . 1]" 4
139 1 13 A H2' 1 13 A H8 3.700 3.000 4.400 4.286 4.240 4.317 . 0 0 "[ . 1]" 4
140 1 13 A H3' 1 13 A H8 2.800 2.300 3.300 3.309 3.231 3.333 0.033 7 0 "[ . 1]" 4
141 1 13 A H4' 1 13 A H8 3.800 3.100 4.500 4.203 4.115 4.238 . 0 0 "[ . 1]" 4
142 1 13 A H1' 1 13 A H2 5.000 4.000 6.000 4.935 4.905 4.950 . 0 0 "[ . 1]" 4
143 1 12 PSU H6 1 13 A H8 5.000 4.000 6.000 6.015 5.974 6.134 0.134 1 0 "[ . 1]" 4
144 1 12 PSU H1' 1 13 A H8 5.000 4.000 6.000 4.950 4.647 5.123 . 0 0 "[ . 1]" 4
145 1 12 PSU H2' 1 13 A H8 3.200 2.700 3.700 2.711 2.551 2.839 0.149 1 0 "[ . 1]" 4
146 1 12 PSU H3' 1 13 A H8 3.000 2.500 3.500 2.731 2.508 3.237 . 0 0 "[ . 1]" 4
147 1 12 PSU H4' 1 13 A H8 3.500 2.800 4.200 4.413 4.399 4.450 0.250 1 0 "[ . 1]" 4
148 1 7 A H2 1 13 A H2 5.000 4.000 6.000 4.048 3.982 4.197 0.018 3 0 "[ . 1]" 4
149 1 8 A H1' 1 13 A H2 5.000 4.000 6.000 5.641 5.215 6.000 . 0 0 "[ . 1]" 4
150 1 13 A H2 1 14 A H1' 3.900 3.200 4.600 4.095 3.763 4.382 . 0 0 "[ . 1]" 4
151 1 13 A H2 1 14 A H2' 5.000 4.000 6.000 5.662 5.437 5.837 . 0 0 "[ . 1]" 4
152 1 8 A H2 1 13 A H1' 5.000 4.000 6.000 6.000 5.868 6.041 0.041 7 0 "[ . 1]" 4
153 1 11 A H2 1 13 A H1' 5.000 4.000 6.000 3.974 3.958 3.995 0.042 9 0 "[ . 1]" 4
154 1 12 PSU H1' 1 13 A H1' 5.000 4.000 6.000 4.656 4.500 4.912 . 0 0 "[ . 1]" 4
155 1 12 PSU H2' 1 13 A H1' 5.000 4.000 6.000 4.247 4.001 4.752 . 0 0 "[ . 1]" 4
156 1 12 PSU H3' 1 13 A H1' 5.000 4.000 6.000 5.267 4.986 6.018 0.018 3 0 "[ . 1]" 4
157 1 12 PSU H4' 1 13 A H1' 5.000 4.000 6.000 4.889 4.684 5.365 . 0 0 "[ . 1]" 4
158 1 14 A H1' 1 14 A H8 4.400 3.500 5.300 3.733 3.717 3.751 . 0 0 "[ . 1]" 4
159 1 14 A H2' 1 14 A H8 5.000 4.000 6.000 3.979 3.949 4.000 0.051 3 0 "[ . 1]" 4
160 1 14 A H3' 1 14 A H8 2.700 2.200 3.200 2.945 2.867 3.039 . 0 0 "[ . 1]" 4
161 1 14 A H4' 1 14 A H8 3.900 3.200 4.600 4.321 4.268 4.351 . 0 0 "[ . 1]" 4
162 1 13 A H8 1 14 A H8 5.000 4.000 6.000 6.029 6.011 6.065 0.065 1 0 "[ . 1]" 4
163 1 13 A H1' 1 14 A H8 5.000 4.000 6.000 4.818 4.789 4.853 . 0 0 "[ . 1]" 4
164 1 13 A H2' 1 14 A H8 2.700 2.200 3.200 2.200 2.175 2.230 0.025 1 0 "[ . 1]" 4
165 1 13 A H3' 1 14 A H8 3.300 2.800 3.800 3.742 3.604 3.811 0.011 5 0 "[ . 1]" 4
166 1 7 A H1' 1 14 A H2 3.400 2.700 4.100 4.146 4.113 4.171 0.071 3 0 "[ . 1]" 4
167 1 8 A H1' 1 14 A H2 5.000 4.000 6.000 6.028 6.006 6.041 0.041 6 0 "[ . 1]" 4
168 1 13 A H2 1 14 A H2 5.000 4.000 6.000 4.261 3.972 4.556 0.028 1 0 "[ . 1]" 4
169 1 14 A H2 1 15 C H1' 3.600 2.900 4.300 4.045 3.907 4.287 . 0 0 "[ . 1]" 4
170 1 13 A H1' 1 14 A H1' 5.000 4.000 6.000 5.476 5.096 5.757 . 0 0 "[ . 1]" 4
171 1 13 A H2' 1 14 A H1' 5.000 4.000 6.000 4.345 4.172 4.489 . 0 0 "[ . 1]" 4
172 1 15 C H1' 1 15 C H6 3.700 3.000 4.400 3.613 3.611 3.617 . 0 0 "[ . 1]" 4
173 1 15 C H2' 1 15 C H6 3.000 2.500 3.500 3.571 3.557 3.583 0.083 10 0 "[ . 1]" 4
174 1 15 C H3' 1 15 C H6 2.700 2.200 3.200 2.667 2.629 2.706 . 0 0 "[ . 1]" 4
175 1 15 C H1' 1 15 C H5 5.000 4.000 6.000 5.339 5.337 5.343 . 0 0 "[ . 1]" 4
176 1 14 A H8 1 15 C H6 5.000 4.000 6.000 5.293 5.243 5.347 . 0 0 "[ . 1]" 4
177 1 14 A H1' 1 15 C H6 5.000 4.000 6.000 5.127 5.086 5.156 . 0 0 "[ . 1]" 4
178 1 14 A H2' 1 15 C H6 2.800 2.300 3.300 2.444 2.421 2.471 . 0 0 "[ . 1]" 4
179 1 14 A H3' 1 15 C H6 3.100 2.600 3.600 3.599 3.566 3.621 0.021 8 0 "[ . 1]" 4
180 1 14 A H1' 1 15 C H5 5.000 4.000 6.000 6.039 6.028 6.049 0.049 6 0 "[ . 1]" 4
181 1 14 A H2' 1 15 C H5 5.000 4.000 6.000 3.935 3.929 3.945 0.071 10 0 "[ . 1]" 4
182 1 14 A H3' 1 15 C H5 5.000 4.000 6.000 4.136 4.090 4.165 . 0 0 "[ . 1]" 4
183 1 14 A H1' 1 15 C H1' 5.000 4.000 6.000 5.905 5.746 6.014 0.014 4 0 "[ . 1]" 4
184 1 14 A H2' 1 15 C H1' 5.000 4.000 6.000 4.283 4.219 4.333 . 0 0 "[ . 1]" 4
185 1 16 G H1' 1 16 G H8 3.400 2.700 4.100 3.683 3.675 3.693 . 0 0 "[ . 1]" 4
186 1 16 G H2' 1 16 G H8 4.000 3.300 4.700 3.855 3.842 3.872 . 0 0 "[ . 1]" 4
187 1 16 G H3' 1 16 G H8 3.200 2.700 3.700 3.598 3.530 3.658 . 0 0 "[ . 1]" 4
188 1 16 G H4' 1 16 G H8 5.000 4.000 6.000 4.490 4.473 4.506 . 0 0 "[ . 1]" 4
189 1 15 C H6 1 16 G H8 5.000 4.000 6.000 4.443 4.384 4.520 . 0 0 "[ . 1]" 4
190 1 15 C H1' 1 16 G H8 3.900 3.200 4.600 4.729 4.724 4.734 0.134 4 0 "[ . 1]" 4
191 1 15 C H2' 1 16 G H8 2.400 . 2.800 2.023 1.992 2.046 0.008 5 0 "[ . 1]" 4
192 1 15 C H3' 1 16 G H8 2.700 2.200 3.200 3.228 3.221 3.242 0.042 2 0 "[ . 1]" 4
193 1 15 C H1' 1 16 G H1' 5.000 4.000 6.000 4.631 4.613 4.667 . 0 0 "[ . 1]" 4
194 1 17 G H1' 1 17 G H8 3.600 2.900 4.300 3.733 3.728 3.737 . 0 0 "[ . 1]" 4
195 1 17 G H2' 1 17 G H8 5.000 4.000 6.000 3.970 3.963 3.979 0.037 1 0 "[ . 1]" 4
196 1 17 G H3' 1 17 G H8 2.900 2.400 3.400 2.756 2.730 2.777 . 0 0 "[ . 1]" 4
197 1 17 G H4' 1 17 G H8 3.800 3.100 4.500 4.044 4.032 4.063 . 0 0 "[ . 1]" 4
198 1 16 G H8 1 17 G H8 5.000 4.000 6.000 5.935 5.914 5.957 . 0 0 "[ . 1]" 4
199 1 16 G H1' 1 17 G H8 3.600 2.900 4.300 4.463 4.453 4.470 0.170 2 0 "[ . 1]" 4
200 1 16 G H2' 1 17 G H8 2.600 2.200 3.000 2.104 2.097 2.110 0.103 7 0 "[ . 1]" 4
201 1 16 G H3' 1 17 G H8 3.100 2.600 3.600 3.618 3.603 3.627 0.027 5 0 "[ . 1]" 4
202 1 18 U H1' 1 18 U H6 3.100 2.600 3.600 3.585 3.577 3.597 . 0 0 "[ . 1]" 4
203 1 18 U H2' 1 18 U H6 3.300 2.800 3.800 3.797 3.760 3.821 0.021 3 0 "[ . 1]" 4
204 1 18 U H3' 1 18 U H6 2.500 2.100 2.900 2.652 2.607 2.683 . 0 0 "[ . 1]" 4
205 1 18 U H4' 1 18 U H6 3.500 2.800 4.200 3.867 3.847 3.889 . 0 0 "[ . 1]" 4
206 1 17 G H8 1 18 U H6 5.000 4.000 6.000 5.174 5.094 5.246 . 0 0 "[ . 1]" 4
207 1 17 G H1' 1 18 U H6 3.800 3.100 4.500 4.678 4.676 4.682 0.182 8 0 "[ . 1]" 4
208 1 17 G H2' 1 18 U H6 2.400 . 2.800 1.967 1.964 1.972 0.036 1 0 "[ . 1]" 4
209 1 17 G H3' 1 18 U H6 2.800 2.300 3.300 3.195 3.118 3.252 . 0 0 "[ . 1]" 4
210 1 17 G H8 1 18 U H5 3.900 3.200 4.600 4.556 4.487 4.599 . 0 0 "[ . 1]" 4
211 1 17 G H1' 1 18 U H5 5.000 4.000 6.000 5.756 5.723 5.791 . 0 0 "[ . 1]" 4
212 1 17 G H1' 1 18 U H1' 5.000 4.000 6.000 5.200 5.145 5.240 . 0 0 "[ . 1]" 4
213 1 19 C H1' 1 19 C H6 3.200 2.700 3.700 3.518 3.499 3.540 . 0 0 "[ . 1]" 4
214 1 19 C H2' 1 19 C H6 4.000 3.100 4.900 3.851 3.801 3.901 . 0 0 "[ . 1]" 4
215 1 19 C H3' 1 19 C H6 3.000 2.500 3.500 3.051 2.945 3.123 . 0 0 "[ . 1]" 4
216 1 18 U H6 1 19 C H6 5.000 4.000 6.000 5.004 4.916 5.088 . 0 0 "[ . 1]" 4
217 1 18 U H5 1 19 C H6 5.000 4.000 6.000 5.910 5.798 6.016 0.016 1 0 "[ . 1]" 4
218 1 18 U H1' 1 19 C H6 3.400 2.700 4.100 4.276 4.269 4.295 0.195 5 0 "[ . 1]" 4
219 1 18 U H2' 1 19 C H6 2.200 . 2.600 1.770 1.763 1.775 0.037 5 0 "[ . 1]" 4
220 1 18 U H3' 1 19 C H6 3.200 2.700 3.700 3.528 3.410 3.615 . 0 0 "[ . 1]" 4
221 1 18 U H6 1 19 C H5 5.000 4.000 6.000 4.855 4.815 4.888 . 0 0 "[ . 1]" 4
222 1 18 U H5 1 19 C H5 5.000 4.000 6.000 4.711 4.651 4.744 . 0 0 "[ . 1]" 4
223 1 18 U H1' 1 19 C H1' 5.000 4.000 6.000 4.988 4.866 5.154 . 0 0 "[ . 1]" 4
224 1 18 U H2' 1 19 C H1' 5.000 4.000 6.000 4.096 3.986 4.255 0.014 5 0 "[ . 1]" 4
stop_
save_
Contact the webmaster for help, if required. Monday, April 29, 2024 11:50:07 PM GMT (wattos1)