NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
375852 |
1f85   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1f85
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 267
_Distance_constraint_stats_list.Viol_count 734
_Distance_constraint_stats_list.Viol_total 863.881
_Distance_constraint_stats_list.Viol_max 0.274
_Distance_constraint_stats_list.Viol_rms 0.0306
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0081
_Distance_constraint_stats_list.Viol_average_violations_only 0.0588
_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 1.160 0.052 2 0 "[ . 1 . 2]"
1 2 G 0.517 0.051 18 0 "[ . 1 . 2]"
1 3 C 0.994 0.062 4 0 "[ . 1 . 2]"
1 4 C 2.791 0.109 6 0 "[ . 1 . 2]"
1 5 U 4.120 0.198 17 0 "[ . 1 . 2]"
1 6 G 8.714 0.137 11 0 "[ . 1 . 2]"
1 7 A 16.039 0.274 20 0 "[ . 1 . 2]"
1 8 U 19.069 0.274 20 0 "[ . 1 . 2]"
1 9 A 7.664 0.187 13 0 "[ . 1 . 2]"
1 10 G 3.198 0.092 13 0 "[ . 1 . 2]"
1 11 G 2.128 0.062 20 0 "[ . 1 . 2]"
1 12 G 2.449 0.157 4 0 "[ . 1 . 2]"
1 13 U 0.348 0.043 20 0 "[ . 1 . 2]"
1 14 C 0.885 0.120 20 0 "[ . 1 . 2]"
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 2 G H1 0.000 . 6.000 4.548 3.463 5.702 . 0 0 "[ . 1 . 2]" 1
2 1 1 G H1 1 13 U H3 0.000 . 6.000 3.725 3.194 4.378 . 0 0 "[ . 1 . 2]" 1
3 1 1 G H1 1 14 C H41 0.000 . 3.500 2.139 1.745 2.975 . 0 0 "[ . 1 . 2]" 1
4 1 1 G H1 1 14 C H42 0.000 . 3.500 3.427 3.069 3.527 0.027 10 0 "[ . 1 . 2]" 1
5 1 1 G H1' 1 1 G H2' 0.000 . 3.000 2.771 2.763 2.822 . 0 0 "[ . 1 . 2]" 1
6 1 1 G H1' 1 1 G H3' 0.000 . 6.000 3.906 3.876 3.943 . 0 0 "[ . 1 . 2]" 1
7 1 1 G H1' 1 1 G H4' 0.000 . 5.000 3.410 3.244 3.454 . 0 0 "[ . 1 . 2]" 1
8 1 1 G H1' 1 1 G H5' 0.000 . 6.000 4.780 4.473 5.228 . 0 0 "[ . 1 . 2]" 1
9 1 1 G H1' 1 1 G H5'' 0.000 . 6.000 4.888 4.395 5.255 . 0 0 "[ . 1 . 2]" 1
10 1 1 G H1' 1 1 G H8 0.000 . 5.000 3.826 3.606 3.916 . 0 0 "[ . 1 . 2]" 1
11 1 1 G H1' 1 2 G H8 0.000 . 5.000 4.215 3.137 4.982 . 0 0 "[ . 1 . 2]" 1
12 1 1 G H2' 1 1 G H8 0.000 . 5.000 3.331 1.945 4.199 . 0 0 "[ . 1 . 2]" 1
13 1 1 G H2' 1 2 G H8 0.000 . 4.000 2.394 1.944 3.861 . 0 0 "[ . 1 . 2]" 1
14 1 1 G H3' 1 1 G H4' 0.000 . 3.000 3.046 3.042 3.052 0.052 2 0 "[ . 1 . 2]" 1
15 1 1 G H3' 1 1 G H8 0.000 . 5.000 2.631 2.263 3.411 . 0 0 "[ . 1 . 2]" 1
16 1 1 G H3' 1 2 G H8 0.000 . 5.000 3.548 1.948 4.890 . 0 0 "[ . 1 . 2]" 1
17 1 1 G H4' 1 1 G H8 0.000 . 6.000 4.403 4.230 5.173 . 0 0 "[ . 1 . 2]" 1
18 1 1 G H4' 1 2 G H8 0.000 . 6.000 5.353 3.979 5.918 . 0 0 "[ . 1 . 2]" 1
19 1 1 G H5' 1 1 G H8 0.000 . 5.000 3.589 2.245 5.009 0.009 5 0 "[ . 1 . 2]" 1
20 1 1 G H5'' 1 1 G H8 0.000 . 5.000 3.942 2.320 5.012 0.012 5 0 "[ . 1 . 2]" 1
21 1 1 G H8 1 2 G H8 0.000 . 6.000 4.479 2.695 6.025 0.025 6 0 "[ . 1 . 2]" 1
22 1 2 G H1 1 3 C H1' 0.000 . 4.500 4.423 4.098 4.529 0.029 20 0 "[ . 1 . 2]" 1
23 1 2 G H1 1 12 G H1 0.000 . 6.000 4.358 4.001 4.799 . 0 0 "[ . 1 . 2]" 1
24 1 2 G H1 1 13 U H2' 0.000 . 6.000 4.312 3.671 5.101 . 0 0 "[ . 1 . 2]" 1
25 1 2 G H1 1 13 U H3 0.000 . 3.500 2.395 2.230 2.462 . 0 0 "[ . 1 . 2]" 1
26 1 2 G H1 1 14 C H1' 0.000 . 4.500 3.370 2.750 4.297 . 0 0 "[ . 1 . 2]" 1
27 1 2 G H1 1 14 C H41 0.000 . 6.000 4.749 3.608 5.403 . 0 0 "[ . 1 . 2]" 1
28 1 2 G H1 1 14 C H42 0.000 . 6.000 5.265 4.417 6.008 0.008 5 0 "[ . 1 . 2]" 1
29 1 2 G H1 1 14 C H5 0.000 . 6.000 4.927 4.473 5.877 . 0 0 "[ . 1 . 2]" 1
30 1 2 G H1 1 14 C H6 0.000 . 6.000 4.533 3.787 5.351 . 0 0 "[ . 1 . 2]" 1
31 1 2 G H1' 1 2 G H2' 0.000 . 3.000 2.764 2.758 2.772 . 0 0 "[ . 1 . 2]" 1
32 1 2 G H1' 1 2 G H3' 0.000 . 4.000 3.898 3.879 3.925 . 0 0 "[ . 1 . 2]" 1
33 1 2 G H1' 1 2 G H4' 0.000 . 5.000 3.426 3.405 3.450 . 0 0 "[ . 1 . 2]" 1
34 1 2 G H1' 1 2 G H5' 0.000 . 6.000 5.070 4.415 5.261 . 0 0 "[ . 1 . 2]" 1
35 1 2 G H1' 1 2 G H5'' 0.000 . 5.000 4.727 4.478 5.051 0.051 18 0 "[ . 1 . 2]" 1
36 1 2 G H1' 1 2 G H8 0.000 . 5.000 3.666 3.492 3.762 . 0 0 "[ . 1 . 2]" 1
37 1 2 G H1' 1 3 C H6 0.000 . 5.000 4.922 4.800 5.008 0.008 16 0 "[ . 1 . 2]" 1
38 1 2 G H2' 1 2 G H3' 0.000 . 3.000 2.410 2.398 2.416 . 0 0 "[ . 1 . 2]" 1
39 1 2 G H2' 1 2 G H8 0.000 . 5.000 4.205 4.015 4.463 . 0 0 "[ . 1 . 2]" 1
40 1 2 G H2' 1 3 C H1' 0.000 . 5.000 4.096 3.744 4.702 . 0 0 "[ . 1 . 2]" 1
41 1 2 G H2' 1 3 C H5 0.000 . 5.000 3.526 3.153 3.787 . 0 0 "[ . 1 . 2]" 1
42 1 2 G H2' 1 3 C H6 0.000 . 3.000 2.215 2.120 2.315 . 0 0 "[ . 1 . 2]" 1
43 1 2 G H21 1 3 C H1' 0.000 . 3.500 3.259 2.756 3.509 0.009 14 0 "[ . 1 . 2]" 1
44 1 2 G H21 1 13 U H3 0.000 . 4.500 4.474 4.195 4.526 0.026 18 0 "[ . 1 . 2]" 1
45 1 2 G H21 1 14 C H1' 0.000 . 3.500 2.629 2.173 3.261 . 0 0 "[ . 1 . 2]" 1
46 1 2 G H3' 1 2 G H8 0.000 . 4.000 3.395 3.056 3.970 . 0 0 "[ . 1 . 2]" 1
47 1 2 G H3' 1 3 C H5 0.000 . 3.000 2.793 2.228 3.018 0.018 18 0 "[ . 1 . 2]" 1
48 1 2 G H3' 1 3 C H6 0.000 . 5.000 2.830 2.510 3.053 . 0 0 "[ . 1 . 2]" 1
49 1 2 G H5' 1 2 G H8 0.000 . 5.000 3.925 2.472 4.722 . 0 0 "[ . 1 . 2]" 1
50 1 2 G H8 1 3 C H5 0.000 . 6.000 4.072 3.767 4.474 . 0 0 "[ . 1 . 2]" 1
51 1 3 C H1' 1 3 C H2' 0.000 . 3.000 2.771 2.760 2.794 . 0 0 "[ . 1 . 2]" 1
52 1 3 C H1' 1 3 C H3' 0.000 . 4.000 3.906 3.892 3.916 . 0 0 "[ . 1 . 2]" 1
53 1 3 C H1' 1 3 C H4' 0.000 . 4.000 3.396 3.303 3.445 . 0 0 "[ . 1 . 2]" 1
54 1 3 C H1' 1 3 C H6 0.000 . 5.000 3.658 3.619 3.679 . 0 0 "[ . 1 . 2]" 1
55 1 3 C H1' 1 4 C H6 0.000 . 5.000 5.002 4.934 5.023 0.023 9 0 "[ . 1 . 2]" 1
56 1 3 C H2' 1 3 C H6 0.000 . 5.000 3.596 3.511 3.754 . 0 0 "[ . 1 . 2]" 1
57 1 3 C H2' 1 4 C H1' 0.000 . 5.000 4.474 4.116 5.001 0.001 11 0 "[ . 1 . 2]" 1
58 1 3 C H2' 1 4 C H5 0.000 . 5.000 3.075 2.551 3.214 . 0 0 "[ . 1 . 2]" 1
59 1 3 C H2' 1 4 C H6 0.000 . 3.000 2.244 2.186 2.282 . 0 0 "[ . 1 . 2]" 1
60 1 3 C H3' 1 3 C H6 0.000 . 5.000 2.531 2.371 2.758 . 0 0 "[ . 1 . 2]" 1
61 1 3 C H3' 1 4 C H5 0.000 . 4.000 2.756 2.354 3.109 . 0 0 "[ . 1 . 2]" 1
62 1 3 C H3' 1 4 C H6 0.000 . 4.000 3.079 2.725 3.367 . 0 0 "[ . 1 . 2]" 1
63 1 3 C H41 1 12 G H1 0.000 . 3.500 2.210 2.069 2.331 . 0 0 "[ . 1 . 2]" 1
64 1 3 C H42 1 11 G H1 0.000 . 6.000 5.161 4.711 5.939 . 0 0 "[ . 1 . 2]" 1
65 1 3 C H42 1 12 G H1 0.000 . 3.500 3.463 3.360 3.505 0.005 20 0 "[ . 1 . 2]" 1
66 1 3 C H5 1 12 G H1 0.000 . 4.500 4.532 4.507 4.562 0.062 4 0 "[ . 1 . 2]" 1
67 1 4 C H1' 1 4 C H2' 0.000 . 3.000 2.749 2.746 2.752 . 0 0 "[ . 1 . 2]" 1
68 1 4 C H1' 1 4 C H3' 0.000 . 4.000 3.858 3.846 3.868 . 0 0 "[ . 1 . 2]" 1
69 1 4 C H1' 1 4 C H6 0.000 . 5.000 3.667 3.649 3.679 . 0 0 "[ . 1 . 2]" 1
70 1 4 C H1' 1 5 U H6 0.000 . 5.000 4.827 4.649 5.002 0.002 6 0 "[ . 1 . 2]" 1
71 1 4 C H1' 1 12 G H1 0.000 . 6.000 5.514 5.335 5.800 . 0 0 "[ . 1 . 2]" 1
72 1 4 C H1' 1 12 G H22 0.000 . 4.500 3.487 3.098 3.749 . 0 0 "[ . 1 . 2]" 1
73 1 4 C H2' 1 4 C H6 0.000 . 5.000 3.537 3.485 3.617 . 0 0 "[ . 1 . 2]" 1
74 1 4 C H2' 1 5 U H5 0.000 . 5.000 3.474 3.351 3.706 . 0 0 "[ . 1 . 2]" 1
75 1 4 C H2' 1 5 U H6 0.000 . 3.000 2.149 1.997 2.304 . 0 0 "[ . 1 . 2]" 1
76 1 4 C H2' 1 11 G H1 0.000 . 6.000 4.852 4.807 4.911 . 0 0 "[ . 1 . 2]" 1
77 1 4 C H3' 1 4 C H5 0.000 . 4.000 4.095 4.079 4.109 0.109 6 0 "[ . 1 . 2]" 1
78 1 4 C H3' 1 4 C H6 0.000 . 3.000 2.206 2.143 2.301 . 0 0 "[ . 1 . 2]" 1
79 1 4 C H3' 1 5 U H5 0.000 . 4.000 2.817 2.498 3.152 . 0 0 "[ . 1 . 2]" 1
80 1 4 C H3' 1 11 G H1 0.000 . 6.000 6.024 6.001 6.062 0.062 20 0 "[ . 1 . 2]" 1
81 1 4 C H41 1 5 U H3 0.000 . 6.000 3.867 3.442 4.253 . 0 0 "[ . 1 . 2]" 1
82 1 4 C H41 1 11 G H1 0.000 . 3.500 2.328 2.209 2.395 . 0 0 "[ . 1 . 2]" 1
83 1 4 C H41 1 12 G H1 0.000 . 6.000 2.950 2.664 3.248 . 0 0 "[ . 1 . 2]" 1
84 1 4 C H42 1 11 G H1 0.000 . 3.500 3.499 3.359 3.523 0.023 16 0 "[ . 1 . 2]" 1
85 1 4 C H42 1 12 G H1 0.000 . 6.000 3.881 3.533 4.177 . 0 0 "[ . 1 . 2]" 1
86 1 4 C H5 1 5 U H5 0.000 . 6.000 3.159 2.938 3.398 . 0 0 "[ . 1 . 2]" 1
87 1 4 C H5 1 11 G H1 0.000 . 6.000 4.540 4.442 4.582 . 0 0 "[ . 1 . 2]" 1
88 1 4 C H6 1 5 U H5 0.000 . 6.000 3.234 3.083 3.547 . 0 0 "[ . 1 . 2]" 1
89 1 4 C H6 1 11 G H1 0.000 . 6.000 5.376 5.326 5.426 . 0 0 "[ . 1 . 2]" 1
90 1 5 U H1' 1 5 U H2' 0.000 . 3.000 2.781 2.766 2.794 . 0 0 "[ . 1 . 2]" 1
91 1 5 U H1' 1 5 U H5'' 0.000 . 5.000 5.173 5.109 5.198 0.198 17 0 "[ . 1 . 2]" 1
92 1 5 U H1' 1 5 U H6 0.000 . 5.000 3.609 3.587 3.633 . 0 0 "[ . 1 . 2]" 1
93 1 5 U H1' 1 6 G H8 0.000 . 6.000 4.889 4.687 5.251 . 0 0 "[ . 1 . 2]" 1
94 1 5 U H1' 1 10 G H1 0.000 . 6.000 5.229 4.881 5.675 . 0 0 "[ . 1 . 2]" 1
95 1 5 U H1' 1 11 G H1 0.000 . 4.500 4.511 4.467 4.526 0.026 10 0 "[ . 1 . 2]" 1
96 1 5 U H2' 1 6 G H8 0.000 . 3.000 2.507 2.298 3.006 0.006 9 0 "[ . 1 . 2]" 1
97 1 5 U H3 1 10 G H1 0.000 . 6.000 3.036 2.286 3.678 . 0 0 "[ . 1 . 2]" 1
98 1 5 U H3 1 10 G H21 0.000 . 6.000 4.036 3.597 4.563 . 0 0 "[ . 1 . 2]" 1
99 1 5 U H3 1 11 G H1 0.000 . 6.000 2.885 2.534 3.202 . 0 0 "[ . 1 . 2]" 1
100 1 5 U H3' 1 5 U H6 0.000 . 3.000 2.738 2.555 2.940 . 0 0 "[ . 1 . 2]" 1
101 1 5 U H3' 1 6 G H8 0.000 . 3.000 2.575 2.247 2.761 . 0 0 "[ . 1 . 2]" 1
102 1 5 U H5 1 5 U H5'' 0.000 . 6.000 5.904 5.441 6.043 0.043 4 0 "[ . 1 . 2]" 1
103 1 5 U H5'' 1 5 U H6 0.000 . 4.000 3.746 3.382 3.863 . 0 0 "[ . 1 . 2]" 1
104 1 6 G H1' 1 6 G H2' 0.000 . 3.000 2.943 2.934 2.948 . 0 0 "[ . 1 . 2]" 1
105 1 6 G H1' 1 6 G H3' 0.000 . 5.000 3.971 3.964 3.976 . 0 0 "[ . 1 . 2]" 1
106 1 6 G H1' 1 6 G H4' 0.000 . 5.000 2.841 2.810 2.869 . 0 0 "[ . 1 . 2]" 1
107 1 6 G H1' 1 6 G H8 0.000 . 5.000 3.796 3.775 3.824 . 0 0 "[ . 1 . 2]" 1
108 1 6 G H1' 1 7 A H1' 0.000 . 6.000 5.785 5.621 5.972 . 0 0 "[ . 1 . 2]" 1
109 1 6 G H1' 1 7 A H5' 0.000 . 6.000 3.400 3.367 3.444 . 0 0 "[ . 1 . 2]" 1
110 1 6 G H1' 1 7 A H5'' 0.000 . 5.000 5.106 5.079 5.137 0.137 11 0 "[ . 1 . 2]" 1
111 1 6 G H1' 1 7 A H8 0.000 . 5.000 4.838 4.721 4.948 . 0 0 "[ . 1 . 2]" 1
112 1 6 G H1' 1 9 A H2 0.000 . 6.000 6.038 6.027 6.054 0.054 11 0 "[ . 1 . 2]" 1
113 1 6 G H1' 1 9 A H61 0.000 . 3.500 2.051 1.851 2.134 . 0 0 "[ . 1 . 2]" 1
114 1 6 G H1' 1 10 G H1 0.000 . 6.000 3.504 3.276 3.600 . 0 0 "[ . 1 . 2]" 1
115 1 6 G H1' 1 10 G H21 0.000 . 3.500 3.529 3.518 3.539 0.039 6 0 "[ . 1 . 2]" 1
116 1 6 G H2' 1 6 G H8 0.000 . 4.000 3.551 3.459 3.622 . 0 0 "[ . 1 . 2]" 1
117 1 6 G H2' 1 7 A H5'' 0.000 . 5.000 5.089 5.064 5.114 0.114 9 0 "[ . 1 . 2]" 1
118 1 6 G H2' 1 7 A H8 0.000 . 4.000 2.546 2.466 2.620 . 0 0 "[ . 1 . 2]" 1
119 1 6 G H2' 1 10 G H1 0.000 . 6.000 6.022 6.001 6.041 0.041 5 0 "[ . 1 . 2]" 1
120 1 6 G H21 1 7 A H2 0.000 . 4.500 2.704 2.601 2.872 . 0 0 "[ . 1 . 2]" 1
121 1 6 G H21 1 9 A H61 0.000 . 6.000 4.842 4.720 5.153 . 0 0 "[ . 1 . 2]" 1
122 1 6 G H21 1 9 A H8 0.000 . 4.500 4.512 4.499 4.530 0.030 4 0 "[ . 1 . 2]" 1
123 1 6 G H3' 1 6 G H8 0.000 . 4.000 3.866 3.772 3.952 . 0 0 "[ . 1 . 2]" 1
124 1 6 G H3' 1 7 A H5'' 0.000 . 5.000 5.089 5.076 5.109 0.109 14 0 "[ . 1 . 2]" 1
125 1 6 G H3' 1 7 A H8 0.000 . 5.000 3.679 3.562 3.811 . 0 0 "[ . 1 . 2]" 1
126 1 6 G H5'' 1 6 G H8 0.000 . 5.000 4.971 4.892 5.008 0.008 4 0 "[ . 1 . 2]" 1
127 1 6 G H8 1 7 A H8 0.000 . 6.000 6.048 6.021 6.073 0.073 4 0 "[ . 1 . 2]" 1
128 1 7 A H1' 1 7 A H2 0.000 . 5.000 4.491 4.481 4.502 . 0 0 "[ . 1 . 2]" 1
129 1 7 A H1' 1 7 A H2' 0.000 . 3.000 3.042 3.032 3.050 0.050 8 0 "[ . 1 . 2]" 1
130 1 7 A H1' 1 7 A H3' 0.000 . 5.000 3.865 3.808 3.922 . 0 0 "[ . 1 . 2]" 1
131 1 7 A H1' 1 7 A H4' 0.000 . 4.000 3.562 3.529 3.593 . 0 0 "[ . 1 . 2]" 1
132 1 7 A H1' 1 7 A H5'' 0.000 . 6.000 5.051 5.033 5.069 . 0 0 "[ . 1 . 2]" 1
133 1 7 A H1' 1 7 A H8 0.000 . 5.000 3.914 3.908 3.923 . 0 0 "[ . 1 . 2]" 1
134 1 7 A H1' 1 8 U H5' 0.000 . 5.000 2.412 2.019 2.818 . 0 0 "[ . 1 . 2]" 1
135 1 7 A H1' 1 8 U H5'' 0.000 . 6.000 3.876 3.563 4.174 . 0 0 "[ . 1 . 2]" 1
136 1 7 A H1' 1 8 U H6 0.000 . 5.000 2.196 2.141 2.290 . 0 0 "[ . 1 . 2]" 1
137 1 7 A H1' 1 9 A H1' 0.000 . 6.000 5.989 5.836 6.045 0.045 8 0 "[ . 1 . 2]" 1
138 1 7 A H2 1 8 U H1' 0.000 . 6.000 2.617 2.526 2.748 . 0 0 "[ . 1 . 2]" 1
139 1 7 A H2' 1 7 A H5'' 0.000 . 5.000 3.655 3.590 3.709 . 0 0 "[ . 1 . 2]" 1
140 1 7 A H2' 1 7 A H8 0.000 . 3.000 2.242 2.190 2.326 . 0 0 "[ . 1 . 2]" 1
141 1 7 A H2' 1 8 U H6 0.000 . 5.000 3.341 3.030 3.612 . 0 0 "[ . 1 . 2]" 1
142 1 7 A H3' 1 7 A H5'' 0.000 . 3.000 2.790 2.726 2.865 . 0 0 "[ . 1 . 2]" 1
143 1 7 A H3' 1 7 A H8 0.000 . 5.000 4.435 4.310 4.549 . 0 0 "[ . 1 . 2]" 1
144 1 7 A H3' 1 8 U H6 0.000 . 5.000 4.213 4.072 4.357 . 0 0 "[ . 1 . 2]" 1
145 1 7 A H4' 1 7 A H8 0.000 . 5.000 4.757 4.651 4.850 . 0 0 "[ . 1 . 2]" 1
146 1 7 A H4' 1 8 U H6 0.000 . 6.000 5.097 4.929 5.275 . 0 0 "[ . 1 . 2]" 1
147 1 7 A H4' 1 9 A H1' 0.000 . 6.000 5.628 5.499 5.711 . 0 0 "[ . 1 . 2]" 1
148 1 7 A H4' 1 9 A H2 0.000 . 5.000 2.771 2.683 2.818 . 0 0 "[ . 1 . 2]" 1
149 1 7 A H5' 1 7 A H8 0.000 . 5.000 3.450 3.346 3.561 . 0 0 "[ . 1 . 2]" 1
150 1 7 A H5' 1 8 U H6 0.000 . 6.000 6.138 6.098 6.174 0.174 1 0 "[ . 1 . 2]" 1
151 1 7 A H5'' 1 7 A H8 0.000 . 5.000 4.292 4.133 4.456 . 0 0 "[ . 1 . 2]" 1
152 1 7 A H5'' 1 8 U H6 0.000 . 6.000 6.262 6.249 6.274 0.274 20 0 "[ . 1 . 2]" 1
153 1 7 A H5'' 1 9 A H2 0.000 . 6.000 4.349 4.074 4.542 . 0 0 "[ . 1 . 2]" 1
154 1 7 A H8 1 8 U H5 0.000 . 6.000 4.983 4.410 5.472 . 0 0 "[ . 1 . 2]" 1
155 1 7 A H8 1 8 U H6 0.000 . 5.000 4.746 4.398 5.027 0.027 15 0 "[ . 1 . 2]" 1
156 1 8 U H1' 1 8 U H2' 0.000 . 3.000 3.043 3.042 3.045 0.045 12 0 "[ . 1 . 2]" 1
157 1 8 U H1' 1 8 U H3' 0.000 . 5.000 3.778 3.776 3.781 . 0 0 "[ . 1 . 2]" 1
158 1 8 U H1' 1 8 U H4' 0.000 . 5.000 3.268 3.218 3.313 . 0 0 "[ . 1 . 2]" 1
159 1 8 U H1' 1 8 U H6 0.000 . 4.000 3.562 3.545 3.579 . 0 0 "[ . 1 . 2]" 1
160 1 8 U H1' 1 9 A H5'' 0.000 . 6.000 6.043 6.032 6.059 0.059 6 0 "[ . 1 . 2]" 1
161 1 8 U H1' 1 9 A H8 0.000 . 5.000 4.866 4.831 4.912 . 0 0 "[ . 1 . 2]" 1
162 1 8 U H2' 1 8 U H5 0.000 . 6.000 4.921 4.900 4.947 . 0 0 "[ . 1 . 2]" 1
163 1 8 U H2' 1 8 U H6 0.000 . 3.000 3.205 3.173 3.231 0.231 10 0 "[ . 1 . 2]" 1
164 1 8 U H2' 1 9 A H1' 0.000 . 6.000 5.750 5.498 6.011 0.011 14 0 "[ . 1 . 2]" 1
165 1 8 U H2' 1 9 A H8 0.000 . 5.000 5.172 5.156 5.187 0.187 13 0 "[ . 1 . 2]" 1
166 1 8 U H3' 1 8 U H5' 0.000 . 4.000 3.682 3.658 3.699 . 0 0 "[ . 1 . 2]" 1
167 1 8 U H3' 1 8 U H5'' 0.000 . 5.000 2.420 2.372 2.463 . 0 0 "[ . 1 . 2]" 1
168 1 8 U H3' 1 8 U H6 0.000 . 5.000 4.834 4.810 4.856 . 0 0 "[ . 1 . 2]" 1
169 1 8 U H3' 1 9 A H8 0.000 . 4.000 3.060 3.009 3.112 . 0 0 "[ . 1 . 2]" 1
170 1 8 U H4' 1 8 U H5' 0.000 . 3.000 2.348 2.317 2.372 . 0 0 "[ . 1 . 2]" 1
171 1 8 U H4' 1 8 U H5'' 0.000 . 3.000 2.561 2.522 2.606 . 0 0 "[ . 1 . 2]" 1
172 1 8 U H4' 1 8 U H6 0.000 . 6.000 4.101 4.060 4.146 . 0 0 "[ . 1 . 2]" 1
173 1 8 U H4' 1 9 A H1' 0.000 . 5.000 4.291 4.019 4.539 . 0 0 "[ . 1 . 2]" 1
174 1 8 U H4' 1 9 A H2 0.000 . 6.000 5.788 5.474 6.043 0.043 17 0 "[ . 1 . 2]" 1
175 1 8 U H4' 1 9 A H8 0.000 . 5.000 2.406 2.293 2.531 . 0 0 "[ . 1 . 2]" 1
176 1 8 U H5' 1 8 U H6 0.000 . 5.000 3.545 3.491 3.587 . 0 0 "[ . 1 . 2]" 1
177 1 8 U H5' 1 9 A H1' 0.000 . 5.000 3.632 3.331 3.905 . 0 0 "[ . 1 . 2]" 1
178 1 8 U H5' 1 9 A H2 0.000 . 6.000 4.221 4.018 4.382 . 0 0 "[ . 1 . 2]" 1
179 1 8 U H5' 1 9 A H8 0.000 . 5.000 4.080 3.930 4.241 . 0 0 "[ . 1 . 2]" 1
180 1 8 U H5'' 1 8 U H6 0.000 . 5.000 4.410 4.337 4.491 . 0 0 "[ . 1 . 2]" 1
181 1 8 U H5'' 1 9 A H1' 0.000 . 6.000 2.463 2.272 2.650 . 0 0 "[ . 1 . 2]" 1
182 1 8 U H5'' 1 9 A H2 0.000 . 5.000 5.062 5.050 5.075 0.075 9 0 "[ . 1 . 2]" 1
183 1 8 U H5'' 1 9 A H8 0.000 . 5.000 3.424 3.197 3.683 . 0 0 "[ . 1 . 2]" 1
184 1 9 A H1' 1 9 A H2 0.000 . 5.000 4.630 4.618 4.639 . 0 0 "[ . 1 . 2]" 1
185 1 9 A H1' 1 9 A H2' 0.000 . 3.000 2.685 2.683 2.687 . 0 0 "[ . 1 . 2]" 1
186 1 9 A H1' 1 9 A H3' 0.000 . 5.000 3.848 3.839 3.853 . 0 0 "[ . 1 . 2]" 1
187 1 9 A H1' 1 9 A H4' 0.000 . 4.000 3.697 3.682 3.714 . 0 0 "[ . 1 . 2]" 1
188 1 9 A H1' 1 9 A H5' 0.000 . 6.000 5.287 5.285 5.289 . 0 0 "[ . 1 . 2]" 1
189 1 9 A H1' 1 9 A H5'' 0.000 . 5.000 4.690 4.668 4.710 . 0 0 "[ . 1 . 2]" 1
190 1 9 A H1' 1 9 A H8 0.000 . 4.000 3.808 3.805 3.810 . 0 0 "[ . 1 . 2]" 1
191 1 9 A H1' 1 10 G H8 0.000 . 5.000 4.649 4.623 4.679 . 0 0 "[ . 1 . 2]" 1
192 1 9 A H2 1 10 G H1' 0.000 . 5.000 4.918 4.797 5.004 0.004 10 0 "[ . 1 . 2]" 1
193 1 9 A H2 1 10 G H8 0.000 . 6.000 5.994 5.974 6.008 0.008 9 0 "[ . 1 . 2]" 1
194 1 9 A H2' 1 9 A H4' 0.000 . 5.000 3.913 3.901 3.925 . 0 0 "[ . 1 . 2]" 1
195 1 9 A H2' 1 9 A H5'' 0.000 . 5.000 4.406 4.386 4.423 . 0 0 "[ . 1 . 2]" 1
196 1 9 A H2' 1 9 A H8 0.000 . 4.000 4.012 4.008 4.016 0.016 6 0 "[ . 1 . 2]" 1
197 1 9 A H2' 1 10 G H8 0.000 . 5.000 2.101 2.079 2.132 . 0 0 "[ . 1 . 2]" 1
198 1 9 A H3' 1 9 A H4' 0.000 . 4.000 3.042 3.039 3.045 . 0 0 "[ . 1 . 2]" 1
199 1 9 A H3' 1 9 A H5'' 0.000 . 3.000 2.249 2.245 2.255 . 0 0 "[ . 1 . 2]" 1
200 1 9 A H3' 1 9 A H8 0.000 . 4.000 2.661 2.633 2.678 . 0 0 "[ . 1 . 2]" 1
201 1 9 A H3' 1 10 G H8 0.000 . 5.000 2.294 2.226 2.368 . 0 0 "[ . 1 . 2]" 1
202 1 9 A H5'' 1 9 A H8 0.000 . 5.000 1.949 1.899 1.997 . 0 0 "[ . 1 . 2]" 1
203 1 9 A H8 1 10 G H8 0.000 . 6.000 4.424 4.354 4.515 . 0 0 "[ . 1 . 2]" 1
204 1 10 G H1 1 11 G H1' 0.000 . 6.000 4.488 4.373 4.593 . 0 0 "[ . 1 . 2]" 1
205 1 10 G H1' 1 10 G H2' 0.000 . 3.000 2.770 2.767 2.774 . 0 0 "[ . 1 . 2]" 1
206 1 10 G H1' 1 10 G H8 0.000 . 5.000 3.847 3.841 3.850 . 0 0 "[ . 1 . 2]" 1
207 1 10 G H1' 1 11 G H8 0.000 . 6.000 4.559 4.404 4.727 . 0 0 "[ . 1 . 2]" 1
208 1 10 G H2' 1 10 G H8 0.000 . 5.000 3.647 3.620 3.682 . 0 0 "[ . 1 . 2]" 1
209 1 10 G H2' 1 11 G H8 0.000 . 3.000 2.716 2.441 2.958 . 0 0 "[ . 1 . 2]" 1
210 1 10 G H21 1 11 G H1' 0.000 . 3.500 3.528 3.516 3.552 0.052 6 0 "[ . 1 . 2]" 1
211 1 10 G H5' 1 10 G H8 0.000 . 4.000 4.079 4.071 4.092 0.092 13 0 "[ . 1 . 2]" 1
212 1 10 G H8 1 11 G H8 0.000 . 6.000 4.334 4.063 4.567 . 0 0 "[ . 1 . 2]" 1
213 1 11 G H1 1 12 G H1 0.000 . 6.000 4.012 3.856 4.302 . 0 0 "[ . 1 . 2]" 1
214 1 11 G H1 1 12 G H1' 0.000 . 6.000 5.735 5.186 6.018 0.018 6 0 "[ . 1 . 2]" 1
215 1 11 G H1 1 12 G H8 0.000 . 6.000 5.690 5.448 5.883 . 0 0 "[ . 1 . 2]" 1
216 1 11 G H1' 1 11 G H2' 0.000 . 3.000 2.774 2.766 2.791 . 0 0 "[ . 1 . 2]" 1
217 1 11 G H1' 1 11 G H3' 0.000 . 4.000 3.917 3.909 3.923 . 0 0 "[ . 1 . 2]" 1
218 1 11 G H1' 1 11 G H5'' 0.000 . 6.000 4.431 4.424 4.444 . 0 0 "[ . 1 . 2]" 1
219 1 11 G H1' 1 11 G H8 0.000 . 6.000 3.513 3.472 3.549 . 0 0 "[ . 1 . 2]" 1
220 1 11 G H1' 1 12 G H8 0.000 . 6.000 4.861 4.722 4.991 . 0 0 "[ . 1 . 2]" 1
221 1 11 G H2' 1 12 G H8 0.000 . 3.000 2.113 2.024 2.236 . 0 0 "[ . 1 . 2]" 1
222 1 11 G H22 1 12 G H1 0.000 . 6.000 6.025 6.006 6.037 0.037 11 0 "[ . 1 . 2]" 1
223 1 11 G H3' 1 11 G H8 0.000 . 4.000 3.927 3.818 4.019 0.019 9 0 "[ . 1 . 2]" 1
224 1 11 G H4' 1 11 G H8 0.000 . 5.000 4.493 4.460 4.525 . 0 0 "[ . 1 . 2]" 1
225 1 11 G H5'' 1 11 G H8 0.000 . 5.000 2.810 2.714 2.935 . 0 0 "[ . 1 . 2]" 1
226 1 12 G H1 1 13 U H1' 0.000 . 6.000 4.733 4.234 5.196 . 0 0 "[ . 1 . 2]" 1
227 1 12 G H1 1 13 U H3 0.000 . 4.500 3.193 3.027 3.349 . 0 0 "[ . 1 . 2]" 1
228 1 12 G H1 1 13 U H6 0.000 . 6.000 5.556 4.684 5.951 . 0 0 "[ . 1 . 2]" 1
229 1 12 G H1' 1 12 G H2' 0.000 . 3.000 2.761 2.757 2.769 . 0 0 "[ . 1 . 2]" 1
230 1 12 G H1' 1 12 G H3' 0.000 . 5.000 3.905 3.893 3.918 . 0 0 "[ . 1 . 2]" 1
231 1 12 G H1' 1 12 G H4' 0.000 . 5.000 3.449 3.422 3.463 . 0 0 "[ . 1 . 2]" 1
232 1 12 G H1' 1 12 G H5'' 0.000 . 5.000 5.041 4.796 5.157 0.157 4 0 "[ . 1 . 2]" 1
233 1 12 G H1' 1 12 G H8 0.000 . 5.000 3.628 3.566 3.675 . 0 0 "[ . 1 . 2]" 1
234 1 12 G H1' 1 13 U H1' 0.000 . 6.000 5.783 5.397 6.010 0.010 1 0 "[ . 1 . 2]" 1
235 1 12 G H1' 1 13 U H6 0.000 . 6.000 4.842 4.756 4.953 . 0 0 "[ . 1 . 2]" 1
236 1 12 G H2' 1 13 U H1' 0.000 . 5.000 4.041 3.544 4.294 . 0 0 "[ . 1 . 2]" 1
237 1 12 G H2' 1 13 U H5 0.000 . 5.000 3.549 3.207 4.248 . 0 0 "[ . 1 . 2]" 1
238 1 12 G H2' 1 13 U H6 0.000 . 3.000 2.137 2.002 2.495 . 0 0 "[ . 1 . 2]" 1
239 1 12 G H21 1 13 U H1' 0.000 . 3.500 3.179 2.950 3.502 0.002 12 0 "[ . 1 . 2]" 1
240 1 12 G H3' 1 12 G H8 0.000 . 4.000 3.558 3.422 3.752 . 0 0 "[ . 1 . 2]" 1
241 1 12 G H4' 1 12 G H8 0.000 . 5.000 4.347 4.298 4.405 . 0 0 "[ . 1 . 2]" 1
242 1 12 G H5'' 1 12 G H8 0.000 . 5.000 3.716 3.237 4.118 . 0 0 "[ . 1 . 2]" 1
243 1 12 G H8 1 13 U H5 0.000 . 5.000 4.751 4.442 5.005 0.005 5 0 "[ . 1 . 2]" 1
244 1 12 G H8 1 13 U H6 0.000 . 6.000 5.549 5.234 5.840 . 0 0 "[ . 1 . 2]" 1
245 1 13 U H1' 1 13 U H2' 0.000 . 3.000 2.772 2.764 2.824 . 0 0 "[ . 1 . 2]" 1
246 1 13 U H1' 1 13 U H3 0.000 . 6.000 4.613 4.537 4.704 . 0 0 "[ . 1 . 2]" 1
247 1 13 U H1' 1 13 U H6 0.000 . 6.000 3.546 3.430 3.640 . 0 0 "[ . 1 . 2]" 1
248 1 13 U H1' 1 14 C H6 0.000 . 5.000 4.912 4.771 5.043 0.043 20 0 "[ . 1 . 2]" 1
249 1 13 U H2' 1 13 U H3 0.000 . 6.000 4.510 4.297 4.731 . 0 0 "[ . 1 . 2]" 1
250 1 13 U H2' 1 13 U H6 0.000 . 5.000 3.904 3.643 4.157 . 0 0 "[ . 1 . 2]" 1
251 1 13 U H2' 1 14 C H5 0.000 . 5.000 3.489 3.210 4.287 . 0 0 "[ . 1 . 2]" 1
252 1 13 U H2' 1 14 C H6 0.000 . 3.000 2.229 2.128 2.534 . 0 0 "[ . 1 . 2]" 1
253 1 13 U H3 1 14 C H1' 0.000 . 6.000 5.315 4.329 6.012 0.012 10 0 "[ . 1 . 2]" 1
254 1 13 U H3 1 14 C H41 0.000 . 4.500 3.647 2.848 4.193 . 0 0 "[ . 1 . 2]" 1
255 1 13 U H3 1 14 C H42 0.000 . 4.500 3.853 3.327 4.362 . 0 0 "[ . 1 . 2]" 1
256 1 13 U H3 1 14 C H5 0.000 . 4.500 4.172 3.380 4.513 0.013 14 0 "[ . 1 . 2]" 1
257 1 13 U H3 1 14 C H6 0.000 . 6.000 4.910 4.176 5.607 . 0 0 "[ . 1 . 2]" 1
258 1 13 U H5 1 14 C H5 0.000 . 5.000 4.220 3.803 4.637 . 0 0 "[ . 1 . 2]" 1
259 1 14 C H1' 1 14 C H2' 0.000 . 3.000 2.794 2.771 2.811 . 0 0 "[ . 1 . 2]" 1
260 1 14 C H1' 1 14 C H3' 0.000 . 5.000 3.855 3.850 3.863 . 0 0 "[ . 1 . 2]" 1
261 1 14 C H1' 1 14 C H4' 0.000 . 4.000 3.269 3.186 3.378 . 0 0 "[ . 1 . 2]" 1
262 1 14 C H1' 1 14 C H6 0.000 . 5.000 3.666 3.592 3.689 . 0 0 "[ . 1 . 2]" 1
263 1 14 C H2' 1 14 C H3' 0.000 . 3.000 2.386 2.376 2.390 . 0 0 "[ . 1 . 2]" 1
264 1 14 C H2' 1 14 C H5 0.000 . 5.000 5.029 4.957 5.120 0.120 20 0 "[ . 1 . 2]" 1
265 1 14 C H2' 1 14 C H6 0.000 . 4.000 3.502 3.383 3.740 . 0 0 "[ . 1 . 2]" 1
266 1 14 C H3' 1 14 C H5 0.000 . 5.000 4.458 4.329 4.557 . 0 0 "[ . 1 . 2]" 1
267 1 14 C H3' 1 14 C H6 0.000 . 3.000 2.451 2.339 2.777 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Friday, May 10, 2024 2:00:14 PM GMT (wattos1)