NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
589095 |
2mn0   |
19873 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mn0
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 38
_Distance_constraint_stats_list.Viol_count 127
_Distance_constraint_stats_list.Viol_total 108.045
_Distance_constraint_stats_list.Viol_max 0.406
_Distance_constraint_stats_list.Viol_rms 0.0608
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0284
_Distance_constraint_stats_list.Viol_average_violations_only 0.0851
_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 0.208 0.057 1 0 "[ . 1]"
1 2 G 7.236 0.406 9 0 "[ . 1]"
1 3 A 0.716 0.116 10 0 "[ . 1]"
1 4 G 2.160 0.188 1 0 "[ . 1]"
1 10 A 0.253 0.089 1 0 "[ . 1]"
1 11 A 0.718 0.135 8 0 "[ . 1]"
1 12 C 4.370 0.406 9 0 "[ . 1]"
1 13 U 3.096 0.221 10 0 "[ . 1]"
1 14 C 2.643 0.161 6 0 "[ . 1]"
1 15 C 0.208 0.057 1 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 A N1 1 13 U N3 2.950 2.750 3.150 2.969 2.824 3.109 . 0 0 "[ . 1]" 1
2 1 3 A N6 1 13 U O4 2.830 2.630 3.030 2.661 2.586 2.836 0.044 3 0 "[ . 1]" 1
3 1 3 A N1 1 13 U H3 1.930 . 2.130 1.999 1.822 2.171 0.041 9 0 "[ . 1]" 1
4 1 3 A Q6 1 13 U O4 1.820 . 2.020 1.905 1.789 2.035 0.015 9 0 "[ . 1]" 1
5 1 1 G H1 1 15 C N3 1.890 . 2.090 1.914 1.809 2.053 . 0 0 "[ . 1]" 1
6 1 1 G N1 1 15 C N3 2.910 2.710 3.110 2.859 2.770 2.988 . 0 0 "[ . 1]" 1
7 1 1 G Q2 1 15 C O2 2.080 . 2.280 2.017 1.846 2.216 0.034 10 0 "[ . 1]" 1
8 1 1 G N2 1 15 C O2 3.080 2.880 3.280 2.982 2.823 3.206 0.057 1 0 "[ . 1]" 1
9 1 1 G O6 1 15 C N4 2.720 2.520 2.920 2.715 2.640 2.846 . 0 0 "[ . 1]" 1
10 1 1 G O6 1 15 C Q4 1.710 . 1.910 1.760 1.658 1.930 0.020 2 0 "[ . 1]" 1
11 1 2 G H1 1 14 C N3 1.890 . 2.090 2.010 1.950 2.054 . 0 0 "[ . 1]" 1
12 1 2 G N1 1 14 C N3 2.910 2.710 3.110 2.892 2.843 2.922 . 0 0 "[ . 1]" 1
13 1 2 G Q2 1 14 C O2 2.080 . 2.280 1.841 1.803 1.887 0.077 2 0 "[ . 1]" 1
14 1 2 G N2 1 14 C O2 3.080 2.880 3.280 2.792 2.719 2.835 0.161 6 0 "[ . 1]" 1
15 1 2 G O6 1 14 C N4 2.720 2.520 2.920 2.971 2.895 3.002 0.082 8 0 "[ . 1]" 1
16 1 2 G O6 1 14 C Q4 1.710 . 1.910 1.979 1.945 1.995 0.085 2 0 "[ . 1]" 1
17 1 4 G H1 1 12 C N3 1.890 . 2.090 1.877 1.787 2.117 0.027 9 0 "[ . 1]" 1
18 1 4 G N1 1 12 C N3 2.910 2.710 3.110 2.730 2.667 2.824 0.043 10 0 "[ . 1]" 1
19 1 4 G Q2 1 12 C O2 2.080 . 2.280 2.089 1.834 2.345 0.065 3 0 "[ . 1]" 1
20 1 4 G N2 1 12 C O2 3.080 2.880 3.280 3.070 2.844 3.327 0.047 3 0 "[ . 1]" 1
21 1 4 G O6 1 12 C N4 2.720 2.520 2.920 2.734 2.631 2.905 . 0 0 "[ . 1]" 1
22 1 4 G O6 1 12 C Q4 1.710 . 1.910 1.833 1.662 2.009 0.099 9 0 "[ . 1]" 1
23 1 13 U H1' 1 13 U H3 5.000 4.000 6.000 4.496 4.476 4.523 . 0 0 "[ . 1]" 1
24 1 13 U H3 1 14 C H5 5.000 4.000 6.000 5.618 5.368 5.890 . 0 0 "[ . 1]" 1
25 1 3 A H2 1 13 U H3 3.500 2.800 4.200 2.744 2.684 2.825 0.116 10 0 "[ . 1]" 1
26 1 4 G H1 1 13 U H3 5.000 4.000 5.400 3.908 3.812 3.957 0.188 1 0 "[ . 1]" 1
27 1 2 G H1 1 13 U H3 5.000 4.000 5.400 3.854 3.779 3.931 0.221 10 0 "[ . 1]" 1
28 1 4 G H1 1 12 C H41 2.500 . 3.000 2.798 2.636 2.885 . 0 0 "[ . 1]" 1
29 1 4 G H1 1 12 C H42 3.500 2.800 4.200 4.219 4.115 4.282 0.082 1 0 "[ . 1]" 1
30 1 4 G H1 1 11 A H2 5.000 4.000 6.000 5.040 4.146 6.109 0.109 8 0 "[ . 1]" 1
31 1 4 G H1 1 12 C H5 5.000 4.000 6.000 5.077 4.963 5.152 . 0 0 "[ . 1]" 1
32 1 4 G H1 1 12 C H1' 5.000 4.000 6.000 4.808 4.706 5.053 . 0 0 "[ . 1]" 1
33 1 2 G H1 1 14 C H41 2.500 . 3.000 2.056 1.932 2.197 0.068 4 0 "[ . 1]" 1
34 1 2 G H1 1 12 C H42 3.500 2.800 4.200 4.514 4.469 4.606 0.406 9 0 "[ . 1]" 1
35 1 2 G H1 1 3 A H2 5.000 4.000 6.000 4.909 4.630 5.263 . 0 0 "[ . 1]" 1
36 1 14 C H5 1 15 C H42 3.000 2.400 3.600 3.248 2.700 3.518 . 0 0 "[ . 1]" 1
37 1 11 A H2 1 12 C H1' 5.000 4.000 5.400 4.885 4.240 5.535 0.135 8 0 "[ . 1]" 1
38 1 10 A H2 1 11 A H1' 5.000 4.000 5.400 5.332 5.055 5.489 0.089 1 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 238
_Distance_constraint_stats_list.Viol_count 233
_Distance_constraint_stats_list.Viol_total 256.616
_Distance_constraint_stats_list.Viol_max 0.378
_Distance_constraint_stats_list.Viol_rms 0.0458
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0108
_Distance_constraint_stats_list.Viol_average_violations_only 0.1101
_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 4.977 0.378 3 0 "[ . 1]"
1 3 A 4.690 0.377 6 0 "[ . 1]"
1 4 G 1.060 0.206 3 0 "[ . 1]"
1 5 A 0.871 0.159 6 0 "[ . 1]"
1 6 G 0.331 0.101 10 0 "[ . 1]"
1 7 H2U 0.814 0.203 1 0 "[ . 1]"
1 8 G 1.606 0.203 1 0 "[ . 1]"
1 9 G 1.430 0.126 5 0 "[ . 1]"
1 10 A 6.494 0.250 7 0 "[ . 1]"
1 11 A 3.468 0.217 8 0 "[ . 1]"
1 12 C 0.662 0.183 8 0 "[ . 1]"
1 13 U 1.527 0.206 3 0 "[ . 1]"
1 14 C 0.249 0.057 8 0 "[ . 1]"
1 15 C 5.573 0.311 4 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 2 G H1' 1 3 A H8 4.500 . 5.300 4.488 4.317 4.611 . 0 0 "[ . 1]" 2
2 1 3 A H1' 1 4 G H8 4.500 . 5.300 4.873 4.596 5.080 . 0 0 "[ . 1]" 2
3 1 4 G H1' 1 5 A H8 4.500 . 5.300 4.520 4.109 5.066 . 0 0 "[ . 1]" 2
4 1 5 A H1' 1 6 G H8 5.000 . 6.000 5.347 4.805 6.001 0.001 2 0 "[ . 1]" 2
5 1 7 H2U H1' 1 8 G H8 5.000 . 6.000 3.987 2.781 5.525 . 0 0 "[ . 1]" 2
6 1 8 G H1' 1 9 G H8 4.500 . 5.300 5.303 5.095 5.379 0.079 5 0 "[ . 1]" 2
7 1 9 G H1' 1 10 A H8 4.500 . 5.300 4.964 4.542 5.371 0.071 9 0 "[ . 1]" 2
8 1 10 A H1' 1 11 A H8 4.500 . 5.300 5.412 5.347 5.485 0.185 10 0 "[ . 1]" 2
9 1 11 A H1' 1 12 C H6 5.000 . 6.000 5.519 5.217 5.941 . 0 0 "[ . 1]" 2
10 1 12 C H1' 1 13 U H6 4.500 . 5.300 5.119 4.937 5.285 . 0 0 "[ . 1]" 2
11 1 13 U H1' 1 14 C H6 4.500 . 5.300 5.279 5.151 5.354 0.054 6 0 "[ . 1]" 2
12 1 14 C H1' 1 15 C H6 4.500 . 5.300 5.100 4.905 5.255 . 0 0 "[ . 1]" 2
13 1 1 G H2' 1 2 G H8 2.500 . 3.000 2.010 1.884 2.168 . 0 0 "[ . 1]" 2
14 1 2 G H2' 1 3 A H8 2.500 . 3.000 1.883 1.832 1.927 . 0 0 "[ . 1]" 2
15 1 3 A H2' 1 4 G H8 2.500 . 3.000 2.368 2.067 2.618 . 0 0 "[ . 1]" 2
16 1 4 G H2' 1 5 A H8 2.500 . 3.000 2.206 1.856 2.993 . 0 0 "[ . 1]" 2
17 1 5 A H2' 1 6 G H8 3.500 . 4.200 3.056 2.230 4.052 . 0 0 "[ . 1]" 2
18 1 7 H2U H2' 1 8 G H8 4.500 . 5.400 5.001 3.836 5.603 0.203 1 0 "[ . 1]" 2
19 1 8 G H2' 1 9 G H8 4.500 . 5.400 2.811 2.550 3.027 . 0 0 "[ . 1]" 2
20 1 11 A H2' 1 12 C H6 3.500 . 4.200 2.915 2.697 3.219 . 0 0 "[ . 1]" 2
21 1 12 C H2' 1 13 U H6 2.500 . 3.000 2.416 2.229 2.569 . 0 0 "[ . 1]" 2
22 1 13 U H2' 1 14 C H6 2.500 . 3.000 2.593 2.515 2.658 . 0 0 "[ . 1]" 2
23 1 14 C H2' 1 15 C H6 2.500 . 3.000 2.447 2.273 2.598 . 0 0 "[ . 1]" 2
24 1 11 A H2' 1 12 C H5 4.500 . 5.400 3.969 3.585 4.577 . 0 0 "[ . 1]" 2
25 1 12 C H2' 1 13 U H5 3.500 . 4.200 3.352 2.861 3.733 . 0 0 "[ . 1]" 2
26 1 13 U H2' 1 14 C H5 3.500 . 4.200 4.129 3.984 4.257 0.057 8 0 "[ . 1]" 2
27 1 14 C H2' 1 15 C H5 3.500 . 4.200 2.818 2.532 3.132 . 0 0 "[ . 1]" 2
28 1 2 G H3' 1 3 A H8 3.500 . 4.200 3.292 3.001 3.544 . 0 0 "[ . 1]" 2
29 1 3 A H3' 1 4 G H8 3.500 . 4.200 3.060 2.931 3.316 . 0 0 "[ . 1]" 2
30 1 4 G H3' 1 5 A H8 3.500 . 4.200 3.377 3.070 3.872 . 0 0 "[ . 1]" 2
31 1 7 H2U H3' 1 8 G H8 3.500 . 4.200 3.940 3.084 4.312 0.112 3 0 "[ . 1]" 2
32 1 8 G H3' 1 9 G H8 3.500 . 4.200 3.737 2.949 4.299 0.099 2 0 "[ . 1]" 2
33 1 10 A H3' 1 11 A H8 3.500 . 4.200 2.081 1.966 2.224 . 0 0 "[ . 1]" 2
34 1 11 A H3' 1 12 C H6 3.500 . 4.200 3.976 3.658 4.286 0.086 7 0 "[ . 1]" 2
35 1 12 C H3' 1 13 U H6 3.500 . 4.200 3.292 3.076 3.571 . 0 0 "[ . 1]" 2
36 1 13 U H3' 1 14 C H6 3.500 . 4.200 3.334 3.070 3.578 . 0 0 "[ . 1]" 2
37 1 14 C H3' 1 15 C H6 3.500 . 4.200 3.688 3.540 3.897 . 0 0 "[ . 1]" 2
38 1 12 C H3' 1 13 U H5 3.500 . 4.200 3.296 2.740 3.657 . 0 0 "[ . 1]" 2
39 1 13 U H3' 1 14 C H5 3.500 . 4.200 3.807 3.548 4.089 . 0 0 "[ . 1]" 2
40 1 11 A H8 1 12 C H5 5.000 . 6.000 5.958 5.516 6.183 0.183 8 0 "[ . 1]" 2
41 1 12 C H6 1 13 U H5 4.500 2.500 5.400 3.575 3.221 4.332 . 0 0 "[ . 1]" 2
42 1 13 U H6 1 14 C H5 4.500 2.500 5.400 4.013 3.678 4.309 . 0 0 "[ . 1]" 2
43 1 14 C H6 1 15 C H5 4.500 2.500 5.400 3.724 3.385 4.116 . 0 0 "[ . 1]" 2
44 1 3 A H8 1 4 G H8 4.500 2.500 5.400 4.987 4.771 5.440 0.040 9 0 "[ . 1]" 2
45 1 4 G H8 1 5 A H8 4.500 2.500 5.400 4.249 3.717 4.748 . 0 0 "[ . 1]" 2
46 1 5 A H8 1 6 G H8 4.500 2.500 5.400 4.895 3.901 5.444 0.044 5 0 "[ . 1]" 2
47 1 9 G H8 1 10 A H8 4.500 2.500 5.400 5.280 4.239 5.526 0.126 5 0 "[ . 1]" 2
48 1 10 A H8 1 11 A H8 5.000 . 6.000 6.056 6.011 6.112 0.112 1 0 "[ . 1]" 2
49 1 14 C H6 1 15 C H6 4.500 2.500 5.400 5.047 4.870 5.214 . 0 0 "[ . 1]" 2
50 1 3 A H2 1 4 G H1' 3.500 . 4.200 3.158 2.837 3.565 . 0 0 "[ . 1]" 2
51 1 3 A H2 1 13 U H1' 5.000 . 6.000 5.704 5.344 5.962 . 0 0 "[ . 1]" 2
52 1 10 A H2 1 11 A H2 4.500 2.500 5.400 5.508 5.424 5.617 0.217 8 0 "[ . 1]" 2
53 1 5 A H2 1 11 A H2 4.500 2.500 5.400 2.991 2.539 3.639 . 0 0 "[ . 1]" 2
54 1 2 G Q2 1 15 C H1' 4.500 2.500 5.400 4.428 3.578 5.132 . 0 0 "[ . 1]" 2
55 1 2 G H1 1 14 C H5 4.500 2.500 5.400 4.883 4.834 4.936 . 0 0 "[ . 1]" 2
56 1 2 G H1 1 3 A H1' 5.000 . 6.000 6.148 6.006 6.255 0.255 8 0 "[ . 1]" 2
57 1 4 G Q2 1 5 A H1' 4.500 2.500 5.400 2.822 2.509 3.328 . 0 0 "[ . 1]" 2
58 1 4 G H1 1 13 U H1' 5.000 . 6.000 6.097 5.964 6.206 0.206 3 0 "[ . 1]" 2
59 1 4 G H1' 1 13 U H3 5.000 . 6.000 5.153 4.763 5.672 . 0 0 "[ . 1]" 2
60 1 5 A H2 1 12 C H1' 5.000 . 6.000 4.765 3.945 5.829 . 0 0 "[ . 1]" 2
61 1 5 A H2 1 6 G H1' 5.000 . 6.000 3.403 2.433 4.544 . 0 0 "[ . 1]" 2
62 1 5 A H1' 1 5 A H2 5.000 . 6.000 4.952 4.851 5.027 . 0 0 "[ . 1]" 2
63 1 10 A H1' 1 10 A H2 5.000 . 6.000 6.089 6.060 6.110 0.110 7 0 "[ . 1]" 2
64 1 11 A H1' 1 11 A H2 5.000 . 6.000 4.705 4.608 4.823 . 0 0 "[ . 1]" 2
65 1 12 C H1' 1 12 C H5 5.000 . 6.000 5.407 5.352 5.439 . 0 0 "[ . 1]" 2
66 1 13 U H1' 1 13 U H5 5.000 . 6.000 5.401 5.380 5.419 . 0 0 "[ . 1]" 2
67 1 14 C H1' 1 14 C H5 5.000 . 6.000 5.422 5.412 5.432 . 0 0 "[ . 1]" 2
68 1 15 C H1' 1 15 C H5 5.000 . 6.000 5.404 5.380 5.424 . 0 0 "[ . 1]" 2
69 1 11 A H1' 1 11 A H8 3.700 . 4.400 3.772 3.694 3.839 . 0 0 "[ . 1]" 2
70 1 12 C H1' 1 12 C H6 4.500 . 5.300 3.684 3.610 3.731 . 0 0 "[ . 1]" 2
71 1 13 U H1' 1 13 U H6 3.700 . 4.400 3.681 3.650 3.709 . 0 0 "[ . 1]" 2
72 1 14 C H1' 1 14 C H6 3.700 . 4.400 3.713 3.694 3.723 . 0 0 "[ . 1]" 2
73 1 15 C H1' 1 15 C H6 3.700 . 4.400 3.685 3.653 3.719 . 0 0 "[ . 1]" 2
74 1 2 G H1' 1 2 G H8 3.700 . 4.400 3.663 3.603 3.715 . 0 0 "[ . 1]" 2
75 1 3 A H1' 1 3 A H8 3.700 . 4.400 3.731 3.710 3.763 . 0 0 "[ . 1]" 2
76 1 4 G H1' 1 4 G H8 3.700 . 4.400 3.812 3.798 3.834 . 0 0 "[ . 1]" 2
77 1 5 A H1' 1 5 A H8 3.700 . 4.400 3.614 3.554 3.688 . 0 0 "[ . 1]" 2
78 1 6 G H1' 1 6 G H8 3.700 . 4.400 3.797 3.741 3.855 . 0 0 "[ . 1]" 2
79 1 8 G H1' 1 8 G H8 3.700 . 4.400 3.846 3.770 3.923 . 0 0 "[ . 1]" 2
80 1 9 G H1' 1 9 G H8 3.700 . 4.400 3.902 3.857 3.924 . 0 0 "[ . 1]" 2
81 1 10 A H1' 1 10 A H8 3.700 . 4.400 2.618 2.585 2.644 . 0 0 "[ . 1]" 2
82 1 2 G H1' 1 2 G H2' 2.500 . 3.000 2.755 2.735 2.777 . 0 0 "[ . 1]" 2
83 1 3 A H1' 1 3 A H2' 2.500 . 3.000 2.692 2.684 2.702 . 0 0 "[ . 1]" 2
84 1 4 G H1' 1 4 G H2' 2.500 . 3.000 2.750 2.732 2.770 . 0 0 "[ . 1]" 2
85 1 5 A H1' 1 5 A H2' 2.500 . 3.000 2.718 2.688 2.736 . 0 0 "[ . 1]" 2
86 1 6 G H1' 1 6 G H2' 3.700 . 4.400 2.735 2.718 2.759 . 0 0 "[ . 1]" 2
87 1 7 H2U H1' 1 7 H2U H2' 3.700 . 4.400 3.010 2.991 3.023 . 0 0 "[ . 1]" 2
88 1 8 G H1' 1 8 G H2' 3.700 . 4.400 2.745 2.728 2.782 . 0 0 "[ . 1]" 2
89 1 9 G H1' 1 9 G H2' 3.700 . 4.400 2.770 2.740 2.811 . 0 0 "[ . 1]" 2
90 1 10 A H1' 1 10 A H2' 3.700 . 4.400 2.755 2.734 2.775 . 0 0 "[ . 1]" 2
91 1 11 A H1' 1 11 A H2' 2.500 . 3.000 2.716 2.699 2.733 . 0 0 "[ . 1]" 2
92 1 12 C H1' 1 12 C H2' 2.500 . 3.000 2.733 2.719 2.757 . 0 0 "[ . 1]" 2
93 1 13 U H1' 1 13 U H2' 2.500 . 3.000 2.750 2.730 2.774 . 0 0 "[ . 1]" 2
94 1 14 C H1' 1 14 C H2' 2.500 . 3.000 2.764 2.753 2.792 . 0 0 "[ . 1]" 2
95 1 15 C H1' 1 15 C H2' 3.700 . 4.400 2.732 2.717 2.743 . 0 0 "[ . 1]" 2
96 1 3 A H1' 1 3 A H3' 3.700 . 4.400 3.756 3.740 3.774 . 0 0 "[ . 1]" 2
97 1 5 A H1' 1 5 A H3' 3.700 . 4.400 3.834 3.793 3.868 . 0 0 "[ . 1]" 2
98 1 6 G H1' 1 6 G H3' 4.500 . 5.300 3.846 3.805 3.883 . 0 0 "[ . 1]" 2
99 1 7 H2U H1' 1 7 H2U H3' 4.500 . 5.300 3.880 3.836 3.921 . 0 0 "[ . 1]" 2
100 1 8 G H1' 1 8 G H3' 3.700 . 4.400 3.872 3.837 3.919 . 0 0 "[ . 1]" 2
101 1 9 G H1' 1 9 G H3' 4.500 . 5.300 3.916 3.879 3.974 . 0 0 "[ . 1]" 2
102 1 10 A H1' 1 10 A H3' 4.500 . 5.300 3.893 3.866 3.913 . 0 0 "[ . 1]" 2
103 1 11 A H1' 1 11 A H3' 3.700 . 4.400 3.847 3.795 3.891 . 0 0 "[ . 1]" 2
104 1 12 C H1' 1 12 C H3' 3.700 . 4.400 3.818 3.790 3.841 . 0 0 "[ . 1]" 2
105 1 13 U H1' 1 13 U H3' 3.700 . 4.400 3.820 3.792 3.855 . 0 0 "[ . 1]" 2
106 1 14 C H1' 1 14 C H3' 3.700 . 4.400 3.837 3.823 3.854 . 0 0 "[ . 1]" 2
107 1 15 C H1' 1 15 C H3' 3.700 . 4.400 3.834 3.811 3.848 . 0 0 "[ . 1]" 2
108 1 3 A H1' 1 3 A H4' 4.500 . 5.300 3.508 3.485 3.549 . 0 0 "[ . 1]" 2
109 1 5 A H1' 1 5 A H4' 3.700 . 4.400 3.527 3.466 3.616 . 0 0 "[ . 1]" 2
110 1 7 H2U H1' 1 7 H2U H4' 3.700 . 4.400 3.447 3.362 3.554 . 0 0 "[ . 1]" 2
111 1 9 G H1' 1 9 G H4' 3.700 . 4.400 3.484 3.299 3.695 . 0 0 "[ . 1]" 2
112 1 10 A H1' 1 10 A H4' 3.700 . 4.400 3.459 3.436 3.492 . 0 0 "[ . 1]" 2
113 1 11 A H1' 1 11 A H4' 3.700 . 4.400 3.578 3.507 3.634 . 0 0 "[ . 1]" 2
114 1 13 U H1' 1 13 U H4' 3.700 . 4.400 3.329 3.257 3.424 . 0 0 "[ . 1]" 2
115 1 14 C H1' 1 14 C H4' 3.700 . 4.400 3.278 3.179 3.338 . 0 0 "[ . 1]" 2
116 1 15 C H1' 1 15 C H4' 3.700 . 4.400 3.444 3.413 3.492 . 0 0 "[ . 1]" 2
117 1 4 G H1' 1 4 G H5' 4.500 . 5.300 4.703 4.663 4.728 . 0 0 "[ . 1]" 2
118 1 8 G H1' 1 8 G H5' 5.000 . 6.000 4.910 4.643 5.222 . 0 0 "[ . 1]" 2
119 1 9 G H1' 1 9 G H5' 4.500 . 5.300 5.164 5.129 5.191 . 0 0 "[ . 1]" 2
120 1 9 G H1' 1 9 G H5'' 4.500 . 5.300 4.428 4.275 4.513 . 0 0 "[ . 1]" 2
121 1 13 U H1' 1 13 U H5' 4.500 . 5.300 4.698 4.670 4.722 . 0 0 "[ . 1]" 2
122 1 13 U H1' 1 13 U H5'' 5.000 . 6.000 5.190 5.160 5.219 . 0 0 "[ . 1]" 2
123 1 15 C H1' 1 15 C H5' 3.700 . 4.400 4.675 4.649 4.695 0.295 4 0 "[ . 1]" 2
124 1 3 A H2 1 3 A H2' 5.000 . 6.000 4.377 4.314 4.434 . 0 0 "[ . 1]" 2
125 1 10 A H2 1 10 A H2' 5.000 . 6.000 5.268 5.062 5.481 . 0 0 "[ . 1]" 2
126 1 11 A H2 1 11 A H2' 5.000 . 6.000 4.756 4.420 5.016 . 0 0 "[ . 1]" 2
127 1 12 C H2' 1 12 C H5 4.500 . 5.300 4.929 4.647 5.190 . 0 0 "[ . 1]" 2
128 1 13 U H2' 1 13 U H5 5.000 . 6.000 4.872 4.701 5.024 . 0 0 "[ . 1]" 2
129 1 14 C H2' 1 14 C H5 4.500 . 5.300 4.767 4.646 4.853 . 0 0 "[ . 1]" 2
130 1 15 C H2' 1 15 C H5 4.500 . 5.300 4.955 4.806 5.063 . 0 0 "[ . 1]" 2
131 1 12 C H2' 1 12 C H6 3.700 . 4.400 3.402 3.040 3.742 . 0 0 "[ . 1]" 2
132 1 13 U H2' 1 13 U H6 3.700 . 4.400 3.361 3.152 3.566 . 0 0 "[ . 1]" 2
133 1 14 C H2' 1 14 C H6 3.700 . 4.400 3.200 3.066 3.348 . 0 0 "[ . 1]" 2
134 1 15 C H2' 1 15 C H6 3.700 . 4.400 3.393 3.181 3.562 . 0 0 "[ . 1]" 2
135 1 1 G H2' 1 1 G H8 5.000 . 6.000 4.062 3.876 4.269 . 0 0 "[ . 1]" 2
136 1 2 G H2' 1 2 G H8 4.500 . 5.300 4.150 4.038 4.254 . 0 0 "[ . 1]" 2
137 1 3 A H2' 1 3 A H8 3.700 . 4.400 4.142 4.076 4.181 . 0 0 "[ . 1]" 2
138 1 4 G H2' 1 4 G H8 4.500 . 5.300 3.784 3.656 3.851 . 0 0 "[ . 1]" 2
139 1 5 A H2' 1 5 A H8 3.700 . 4.400 4.299 4.245 4.346 . 0 0 "[ . 1]" 2
140 1 6 G H2' 1 6 G H8 3.700 . 4.400 3.860 3.635 4.064 . 0 0 "[ . 1]" 2
141 1 8 G H2' 1 8 G H8 3.700 . 4.400 3.461 2.387 3.912 . 0 0 "[ . 1]" 2
142 1 9 G H2' 1 9 G H8 3.700 . 4.400 2.961 2.472 3.440 . 0 0 "[ . 1]" 2
143 1 11 A H2' 1 11 A H8 3.700 . 4.400 3.945 3.744 4.144 . 0 0 "[ . 1]" 2
144 1 1 G H2' 1 1 G H3' 2.500 . 3.000 2.365 2.355 2.380 . 0 0 "[ . 1]" 2
145 1 3 A H2' 1 3 A H3' 2.500 . 3.000 2.374 2.356 2.387 . 0 0 "[ . 1]" 2
146 1 5 A H2' 1 5 A H3' 2.500 . 3.000 2.347 2.331 2.372 . 0 0 "[ . 1]" 2
147 1 6 G H2' 1 6 G H3' 2.500 . 3.000 2.338 2.318 2.357 . 0 0 "[ . 1]" 2
148 1 7 H2U H2' 1 7 H2U H3' 2.500 . 3.000 2.344 2.334 2.366 . 0 0 "[ . 1]" 2
149 1 8 G H2' 1 8 G H3' 2.500 . 3.000 2.330 2.307 2.348 . 0 0 "[ . 1]" 2
150 1 12 C H2' 1 12 C H3' 2.500 . 3.000 2.353 2.340 2.376 . 0 0 "[ . 1]" 2
151 1 14 C H2' 1 14 C H3' 2.500 . 3.000 2.346 2.335 2.357 . 0 0 "[ . 1]" 2
152 1 15 C H2' 1 15 C H3' 2.500 . 3.000 2.352 2.335 2.360 . 0 0 "[ . 1]" 2
153 1 3 A H2' 1 3 A H4' 3.700 . 4.400 3.826 3.811 3.846 . 0 0 "[ . 1]" 2
154 1 9 G H2' 1 9 G H4' 3.700 . 4.400 3.950 3.904 4.024 . 0 0 "[ . 1]" 2
155 1 10 A H2' 1 10 A H4' 3.700 . 4.400 3.927 3.898 3.949 . 0 0 "[ . 1]" 2
156 1 11 A H2' 1 11 A H4' 3.700 . 4.400 3.924 3.881 3.976 . 0 0 "[ . 1]" 2
157 1 1 G H2' 1 1 G H5'' 5.000 . 6.000 4.855 4.813 4.874 . 0 0 "[ . 1]" 2
158 1 2 G H2' 1 2 G H5'' 3.700 . 4.400 4.739 4.715 4.778 0.378 3 0 "[ . 1]" 2
159 1 2 G H2' 1 2 G H5' 4.500 . 5.300 5.308 5.276 5.323 0.023 5 0 "[ . 1]" 2
160 1 8 G H2' 1 8 G H5' 5.000 . 6.000 5.059 4.788 5.293 . 0 0 "[ . 1]" 2
161 1 9 G H2' 1 9 G H5'' 3.700 . 4.400 4.151 3.886 4.348 . 0 0 "[ . 1]" 2
162 1 10 A H2' 1 10 A H5'' 3.700 . 4.400 4.210 4.134 4.303 . 0 0 "[ . 1]" 2
163 1 10 A H2' 1 10 A H5' 4.500 . 5.300 4.778 4.683 4.869 . 0 0 "[ . 1]" 2
164 1 3 A H2 1 3 A H3' 5.000 . 6.000 6.290 6.223 6.377 0.377 6 0 "[ . 1]" 2
165 1 5 A H2 1 5 A H3' 5.000 . 6.000 6.069 5.969 6.159 0.159 6 0 "[ . 1]" 2
166 1 12 C H3' 1 12 C H5 4.500 . 5.300 4.274 4.137 4.471 . 0 0 "[ . 1]" 2
167 1 13 U H3' 1 13 U H5 4.500 . 5.300 4.289 4.208 4.491 . 0 0 "[ . 1]" 2
168 1 14 C H3' 1 14 C H5 4.500 . 5.300 4.368 4.288 4.458 . 0 0 "[ . 1]" 2
169 1 15 C H3' 1 15 C H5 5.000 . 6.000 4.239 4.101 4.380 . 0 0 "[ . 1]" 2
170 1 12 C H3' 1 12 C H6 2.500 . 3.000 2.263 2.031 2.654 . 0 0 "[ . 1]" 2
171 1 13 U H3' 1 13 U H6 2.500 . 3.000 2.288 2.110 2.499 . 0 0 "[ . 1]" 2
172 1 14 C H3' 1 14 C H6 2.500 . 3.000 2.233 2.127 2.379 . 0 0 "[ . 1]" 2
173 1 15 C H3' 1 15 C H6 2.500 . 3.000 2.213 1.990 2.444 . 0 0 "[ . 1]" 2
174 1 1 G H3' 1 1 G H8 4.500 . 5.300 3.030 2.709 3.425 . 0 0 "[ . 1]" 2
175 1 3 A H3' 1 3 A H8 4.500 . 5.300 2.987 2.913 3.080 . 0 0 "[ . 1]" 2
176 1 5 A H3' 1 5 A H8 3.700 . 4.400 3.569 3.243 3.809 . 0 0 "[ . 1]" 2
177 1 6 G H3' 1 6 G H8 2.500 . 3.000 2.946 2.675 3.101 0.101 10 0 "[ . 1]" 2
178 1 8 G H3' 1 8 G H8 2.500 . 3.000 2.702 2.191 3.130 0.130 1 0 "[ . 1]" 2
179 1 9 G H3' 1 9 G H8 2.500 . 3.000 2.434 2.138 3.077 0.077 7 0 "[ . 1]" 2
180 1 10 A H3' 1 10 A H8 4.500 . 5.300 5.187 5.081 5.271 . 0 0 "[ . 1]" 2
181 1 11 A H3' 1 11 A H8 4.500 . 5.300 2.964 2.635 3.317 . 0 0 "[ . 1]" 2
182 1 3 A H3' 1 3 A H4' 2.500 . 3.000 3.027 3.022 3.031 0.031 7 0 "[ . 1]" 2
183 1 5 A H3' 1 5 A H4' 2.500 . 3.000 3.007 2.985 3.018 0.018 8 0 "[ . 1]" 2
184 1 7 H2U H3' 1 7 H2U H4' 2.500 . 3.000 2.736 2.714 2.750 . 0 0 "[ . 1]" 2
185 1 9 G H3' 1 9 G H4' 2.500 . 3.000 2.983 2.938 3.008 0.008 10 0 "[ . 1]" 2
186 1 10 A H3' 1 10 A H4' 3.700 . 4.400 2.995 2.984 3.005 . 0 0 "[ . 1]" 2
187 1 11 A H3' 1 11 A H4' 2.500 . 3.000 2.999 2.977 3.012 0.012 7 0 "[ . 1]" 2
188 1 13 U H3' 1 13 U H4' 2.500 . 3.000 3.026 3.021 3.029 0.029 6 0 "[ . 1]" 2
189 1 1 G H3' 1 1 G H5'' 3.700 . 4.400 2.788 2.725 2.820 . 0 0 "[ . 1]" 2
190 1 1 G H3' 1 1 G H5' 3.700 . 4.400 3.623 3.586 3.666 . 0 0 "[ . 1]" 2
191 1 8 G H3' 1 8 G H5'' 2.500 . 3.000 2.575 2.305 2.870 . 0 0 "[ . 1]" 2
192 1 9 G H3' 1 9 G H5' 2.500 . 3.000 2.526 2.452 2.577 . 0 0 "[ . 1]" 2
193 1 9 G H3' 1 9 G H5'' 2.500 . 3.000 2.451 2.363 2.579 . 0 0 "[ . 1]" 2
194 1 10 A H3' 1 10 A H5' 4.500 . 5.300 2.694 2.574 2.808 . 0 0 "[ . 1]" 2
195 1 14 C H3' 1 14 C H5'' 2.500 . 3.000 2.837 2.782 2.882 . 0 0 "[ . 1]" 2
196 1 14 C H3' 1 14 C H5' 3.700 . 4.400 3.638 3.613 3.667 . 0 0 "[ . 1]" 2
197 1 15 C H3' 1 15 C H5'' 2.500 . 3.000 2.872 2.830 2.888 . 0 0 "[ . 1]" 2
198 1 10 A H2 1 10 A H4' 4.500 . 5.300 5.501 5.457 5.550 0.250 7 0 "[ . 1]" 2
199 1 15 C H4' 1 15 C H5 5.000 . 6.000 6.282 6.233 6.311 0.311 4 0 "[ . 1]" 2
200 1 13 U H4' 1 13 U H6 3.700 . 4.400 3.990 3.879 4.076 . 0 0 "[ . 1]" 2
201 1 14 C H4' 1 14 C H6 3.700 . 4.400 4.068 4.015 4.166 . 0 0 "[ . 1]" 2
202 1 15 C H4' 1 15 C H6 3.700 . 4.400 3.839 3.789 3.876 . 0 0 "[ . 1]" 2
203 1 3 A H4' 1 3 A H8 4.500 . 5.300 4.207 4.171 4.264 . 0 0 "[ . 1]" 2
204 1 5 A H4' 1 5 A H8 4.500 . 5.300 4.339 4.222 4.427 . 0 0 "[ . 1]" 2
205 1 9 G H4' 1 9 G H8 5.000 . 6.000 4.368 4.201 4.559 . 0 0 "[ . 1]" 2
206 1 10 A H4' 1 10 A H8 5.000 . 6.000 5.849 5.816 5.872 . 0 0 "[ . 1]" 2
207 1 11 A H4' 1 11 A H8 4.500 . 5.300 4.102 4.053 4.175 . 0 0 "[ . 1]" 2
208 1 9 G H4' 1 9 G H5' 2.500 . 3.000 2.513 2.466 2.591 . 0 0 "[ . 1]" 2
209 1 9 G H4' 1 9 G H5'' 2.500 . 3.000 3.033 3.023 3.039 0.039 3 0 "[ . 1]" 2
210 1 10 A H4' 1 10 A H5'' 2.500 . 3.000 3.033 3.029 3.037 0.037 2 0 "[ . 1]" 2
211 1 10 A H4' 1 10 A H5' 2.500 . 3.000 2.457 2.419 2.519 . 0 0 "[ . 1]" 2
212 1 13 U H4' 1 13 U H5' 2.500 . 3.000 2.468 2.446 2.488 . 0 0 "[ . 1]" 2
213 1 13 U H4' 1 13 U H5'' 2.500 . 3.000 2.437 2.405 2.471 . 0 0 "[ . 1]" 2
214 1 14 C H4' 1 14 C H5'' 2.500 . 3.000 2.453 2.434 2.481 . 0 0 "[ . 1]" 2
215 1 14 C H4' 1 14 C H5' 2.500 . 3.000 2.456 2.435 2.474 . 0 0 "[ . 1]" 2
216 1 15 C H4' 1 15 C H5' 2.500 . 3.000 2.487 2.466 2.503 . 0 0 "[ . 1]" 2
217 1 10 A H2 1 10 A H5'' 5.000 . 6.000 2.539 2.476 2.658 . 0 0 "[ . 1]" 2
218 1 10 A H2 1 10 A H5' 5.000 . 6.000 3.969 3.865 4.068 . 0 0 "[ . 1]" 2
219 1 15 C H5' 1 15 C H6 3.700 . 4.400 3.266 3.097 3.496 . 0 0 "[ . 1]" 2
220 1 1 G H5' 1 1 G H8 4.500 . 5.300 3.406 3.217 3.606 . 0 0 "[ . 1]" 2
221 1 1 G H5'' 1 1 G H8 4.500 . 5.300 3.932 3.766 4.167 . 0 0 "[ . 1]" 2
222 1 2 G H5'' 1 2 G H8 4.500 . 5.300 4.443 4.221 4.684 . 0 0 "[ . 1]" 2
223 1 2 G H5' 1 2 G H8 4.500 . 5.300 3.961 3.706 4.139 . 0 0 "[ . 1]" 2
224 1 4 G H5' 1 4 G H8 3.700 . 4.400 3.705 3.506 3.846 . 0 0 "[ . 1]" 2
225 1 4 G H5'' 1 4 G H8 3.700 . 4.400 4.161 4.001 4.363 . 0 0 "[ . 1]" 2
226 1 8 G H5' 1 8 G H8 4.500 . 5.300 3.919 3.397 4.532 . 0 0 "[ . 1]" 2
227 1 9 G H5' 1 9 G H8 4.500 . 5.300 3.806 3.632 4.205 . 0 0 "[ . 1]" 2
228 1 9 G H5'' 1 9 G H8 4.500 . 5.300 2.425 1.928 2.854 . 0 0 "[ . 1]" 2
229 1 10 A H5'' 1 10 A H8 5.000 . 6.000 5.827 5.744 5.883 . 0 0 "[ . 1]" 2
230 1 1 G H5' 1 1 G H5'' 2.500 . 3.000 1.783 1.781 1.785 . 0 0 "[ . 1]" 2
231 1 2 G H5' 1 2 G H5'' 2.500 . 3.000 1.785 1.781 1.788 . 0 0 "[ . 1]" 2
232 1 4 G H5' 1 4 G H5'' 2.500 . 3.000 1.783 1.781 1.786 . 0 0 "[ . 1]" 2
233 1 9 G H5' 1 9 G H5'' 2.500 . 3.000 1.784 1.780 1.787 . 0 0 "[ . 1]" 2
234 1 10 A H5' 1 10 A H5'' 2.500 . 3.000 1.784 1.781 1.787 . 0 0 "[ . 1]" 2
235 1 12 C H5 1 12 C H6 2.500 . 3.000 2.454 2.446 2.457 . 0 0 "[ . 1]" 2
236 1 13 U H5 1 13 U H6 2.500 . 3.000 2.418 2.411 2.422 . 0 0 "[ . 1]" 2
237 1 14 C H5 1 14 C H6 2.500 . 3.000 2.454 2.447 2.460 . 0 0 "[ . 1]" 2
238 1 15 C H5 1 15 C H6 2.500 . 3.000 2.448 2.445 2.454 . 0 0 "[ . 1]" 2
stop_
save_
Contact the webmaster for help, if required. Friday, May 17, 2024 5:14:32 AM GMT (wattos1)