NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
373278 |
1drr   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1drr
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 147
_Distance_constraint_stats_list.Viol_count 371
_Distance_constraint_stats_list.Viol_total 229.087
_Distance_constraint_stats_list.Viol_max 1.056
_Distance_constraint_stats_list.Viol_rms 0.0677
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0156
_Distance_constraint_stats_list.Viol_average_violations_only 0.0617
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 DG 0.886 0.108 3 0 "[ . 1]"
1 2 DA 0.422 0.103 6 0 "[ . 1]"
1 3 DA 3.472 0.898 3 1 "[ + . 1]"
1 4 DG 3.815 1.056 1 1 "[+ . 1]"
1 5 DA 1.958 0.218 4 0 "[ . 1]"
1 6 DG 3.490 0.919 3 1 "[ + . 1]"
1 7 DA 3.224 1.026 1 2 "[+ - 1]"
1 8 DA 1.810 0.213 2 0 "[ . 1]"
1 9 DG 1.862 0.213 3 0 "[ . 1]"
1 10 DC 1.819 0.210 6 0 "[ . 1]"
2 1 G 0.317 0.039 3 0 "[ . 1]"
2 2 C 0.544 0.039 3 0 "[ . 1]"
2 3 U 0.574 0.036 6 0 "[ . 1]"
2 4 U 0.578 0.036 6 0 "[ . 1]"
2 5 C 0.494 0.026 5 0 "[ . 1]"
2 6 U 0.423 0.028 1 0 "[ . 1]"
2 7 C 0.399 0.029 8 0 "[ . 1]"
2 8 U 0.411 0.032 1 0 "[ . 1]"
2 9 U 0.525 0.032 1 0 "[ . 1]"
2 10 C 0.308 0.025 6 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 DG H1 2 10 C H41 . 2.500 2.700 2.665 2.491 2.709 0.009 5 0 "[ . 1]" 1
2 1 1 DG H1' 1 1 DG H4' . 2.910 3.100 2.870 2.802 2.996 0.108 3 0 "[ . 1]" 1
3 1 1 DG H1' 1 1 DG H8 . 3.680 3.950 3.903 3.840 3.919 . 0 0 "[ . 1]" 1
4 1 1 DG H1' 1 2 DA H8 . . 4.000 3.974 3.918 4.103 0.103 6 0 "[ . 1]" 1
5 1 1 DG Q2' 1 2 DA H8 . . 5.500 2.382 2.021 2.526 . 0 0 "[ . 1]" 1
6 1 1 DG H3' 1 2 DA H8 . 4.000 5.500 4.946 3.982 5.252 0.018 6 0 "[ . 1]" 1
7 1 1 DG H8 1 2 DA H8 . 3.500 5.000 4.624 4.340 4.736 . 0 0 "[ . 1]" 1
8 1 1 DG N1 2 10 C N3 . 2.800 3.200 2.976 2.957 2.983 . 0 0 "[ . 1]" 1
9 1 1 DG N2 2 10 C O2 . 2.700 3.100 2.917 2.831 2.943 . 0 0 "[ . 1]" 1
10 1 1 DG O6 2 10 C N4 . 2.700 3.100 2.956 2.919 3.102 0.002 8 0 "[ . 1]" 1
11 1 2 DA H1' 1 2 DA H4' . 2.700 3.100 2.739 2.696 2.896 0.004 10 0 "[ . 1]" 1
12 1 2 DA H1' 1 2 DA H8 . 3.680 4.080 3.913 3.883 3.930 . 0 0 "[ . 1]" 1
13 1 2 DA H1' 1 3 DA H8 . . 4.000 3.897 3.561 4.000 . 0 0 "[ . 1]" 1
14 1 2 DA H2 2 9 U H3 . 2.300 2.800 2.811 2.804 2.831 0.031 6 0 "[ . 1]" 1
15 1 2 DA H2 2 10 C H1' . 3.000 3.500 3.431 3.163 3.505 0.005 5 0 "[ . 1]" 1
16 1 2 DA H2' 1 2 DA H8 . 2.490 2.890 2.648 2.523 2.799 . 0 0 "[ . 1]" 1
17 1 2 DA H2' 1 3 DA H8 . . 5.500 3.459 3.392 3.607 . 0 0 "[ . 1]" 1
18 1 2 DA H2'' 1 2 DA H4' . 3.500 3.900 3.879 3.844 3.927 0.027 8 0 "[ . 1]" 1
19 1 2 DA H2'' 1 2 DA H8 . 3.830 4.230 3.975 3.828 4.112 0.002 3 0 "[ . 1]" 1
20 1 2 DA H2'' 1 3 DA H8 . . 5.500 2.455 2.337 2.552 . 0 0 "[ . 1]" 1
21 1 2 DA H3' 1 2 DA H8 . 4.290 4.690 4.564 4.487 4.671 . 0 0 "[ . 1]" 1
22 1 2 DA H3' 1 3 DA H8 . 4.000 5.500 5.126 5.041 5.243 . 0 0 "[ . 1]" 1
23 1 2 DA H8 1 3 DA H8 . 3.500 5.000 4.667 4.525 4.942 . 0 0 "[ . 1]" 1
24 1 2 DA N1 2 9 U N3 . 2.600 3.000 2.934 2.912 2.992 . 0 0 "[ . 1]" 1
25 1 2 DA N6 2 9 U O4 . 2.800 3.200 2.961 2.888 2.995 . 0 0 "[ . 1]" 1
26 1 3 DA H1' 1 3 DA H4' . 2.910 3.100 2.738 2.691 2.962 0.219 1 0 "[ . 1]" 1
27 1 3 DA H1' 1 3 DA H8 . 3.680 3.950 3.917 3.850 3.932 . 0 0 "[ . 1]" 1
28 1 3 DA H1' 1 4 DG H8 . . 4.000 3.890 3.520 4.083 0.083 3 0 "[ . 1]" 1
29 1 3 DA H2 2 8 U H3 . 2.300 2.800 2.756 2.379 2.807 0.007 6 0 "[ . 1]" 1
30 1 3 DA H2 2 9 U H1' . 3.000 3.500 3.268 3.000 3.507 0.007 6 0 "[ . 1]" 1
31 1 3 DA Q2' 1 3 DA H4' . 3.500 3.900 3.343 2.602 3.454 0.898 3 1 "[ + . 1]" 1
32 1 3 DA Q2' 1 4 DG H8 . . 5.500 2.442 2.039 2.613 . 0 0 "[ . 1]" 1
33 1 3 DA H3' 1 4 DG H8 . 4.000 5.500 5.106 4.020 5.336 . 0 0 "[ . 1]" 1
34 1 3 DA H8 1 4 DG H8 . 3.500 5.000 4.476 4.233 4.587 . 0 0 "[ . 1]" 1
35 1 3 DA N1 2 8 U N3 . 2.600 3.000 2.920 2.901 2.941 . 0 0 "[ . 1]" 1
36 1 3 DA N6 2 8 U O4 . 2.800 3.200 2.976 2.948 3.055 . 0 0 "[ . 1]" 1
37 1 4 DG H1 2 7 C H41 . 2.500 2.700 2.595 2.486 2.711 0.014 1 0 "[ . 1]" 1
38 1 4 DG H1' 1 4 DG H4' . 2.910 3.100 2.738 2.690 2.976 0.220 7 0 "[ . 1]" 1
39 1 4 DG H1' 1 4 DG H8 . 3.680 3.950 3.910 3.832 3.935 . 0 0 "[ . 1]" 1
40 1 4 DG H1' 1 5 DA H8 . . 4.000 3.953 3.575 4.107 0.107 1 0 "[ . 1]" 1
41 1 4 DG Q2' 1 4 DG H4' . 3.500 3.900 3.330 2.444 3.435 1.056 1 1 "[+ . 1]" 1
42 1 4 DG Q2' 1 5 DA H8 . . 5.500 2.452 2.068 2.750 . 0 0 "[ . 1]" 1
43 1 4 DG H3' 1 5 DA H8 . 4.000 5.500 5.109 3.964 5.502 0.036 1 0 "[ . 1]" 1
44 1 4 DG H8 1 5 DA H8 . 3.500 5.000 4.635 4.436 4.824 . 0 0 "[ . 1]" 1
45 1 4 DG N1 2 7 C N3 . 2.800 3.200 2.972 2.961 2.992 . 0 0 "[ . 1]" 1
46 1 4 DG N2 2 7 C O2 . 2.700 3.100 2.929 2.869 2.970 . 0 0 "[ . 1]" 1
47 1 4 DG O6 2 7 C N4 . 2.700 3.100 2.939 2.913 3.025 . 0 0 "[ . 1]" 1
48 1 5 DA H1' 1 5 DA H4' . 2.910 3.100 2.784 2.692 3.068 0.218 4 0 "[ . 1]" 1
49 1 5 DA H1' 1 5 DA H8 . 3.680 3.950 3.896 3.795 3.922 . 0 0 "[ . 1]" 1
50 1 5 DA H1' 1 6 DG H8 . . 4.000 3.895 3.630 4.103 0.103 10 0 "[ . 1]" 1
51 1 5 DA H2 2 6 U H3 . 2.300 2.800 2.728 2.436 2.828 0.028 1 0 "[ . 1]" 1
52 1 5 DA H2 2 7 C H1' . 3.000 3.500 3.043 2.993 3.242 0.007 2 0 "[ . 1]" 1
53 1 5 DA Q2' 1 6 DG H8 . . 5.500 2.336 2.023 2.480 . 0 0 "[ . 1]" 1
54 1 5 DA H3' 1 6 DG H8 . 4.000 5.500 4.917 3.976 5.248 0.024 10 0 "[ . 1]" 1
55 1 5 DA H8 1 6 DG H8 . 3.500 5.000 4.576 4.389 4.824 . 0 0 "[ . 1]" 1
56 1 5 DA N1 2 6 U N3 . 2.600 3.000 2.936 2.909 2.984 . 0 0 "[ . 1]" 1
57 1 5 DA N6 2 6 U O4 . 2.800 3.200 2.965 2.893 3.048 . 0 0 "[ . 1]" 1
58 1 6 DG H1 2 5 C H41 . 2.500 2.700 2.627 2.487 2.716 0.016 10 0 "[ . 1]" 1
59 1 6 DG H1' 1 6 DG H4' . 2.910 3.100 2.757 2.695 2.931 0.215 8 0 "[ . 1]" 1
60 1 6 DG H1' 1 6 DG H8 . 3.680 3.950 3.911 3.848 3.937 . 0 0 "[ . 1]" 1
61 1 6 DG H1' 1 7 DA H8 . . 4.000 3.783 3.520 4.105 0.105 3 0 "[ . 1]" 1
62 1 6 DG Q2' 1 6 DG H4' . 3.500 3.900 3.345 2.581 3.440 0.919 3 1 "[ + . 1]" 1
63 1 6 DG Q2' 1 7 DA H8 . . 5.500 2.281 2.001 2.391 . 0 0 "[ . 1]" 1
64 1 6 DG H3' 1 7 DA H8 . 4.000 5.500 4.952 3.992 5.154 0.008 3 0 "[ . 1]" 1
65 1 6 DG H8 1 7 DA H8 . 3.500 5.000 4.722 4.421 5.002 0.002 10 0 "[ . 1]" 1
66 1 6 DG N1 2 5 C N3 . 2.800 3.200 2.972 2.949 2.997 . 0 0 "[ . 1]" 1
67 1 6 DG N2 2 5 C O2 . 2.700 3.100 2.942 2.876 2.989 . 0 0 "[ . 1]" 1
68 1 6 DG O6 2 5 C N4 . 2.700 3.100 2.927 2.900 3.042 . 0 0 "[ . 1]" 1
69 1 7 DA H1' 1 7 DA H4' . 2.910 3.100 2.895 2.829 3.065 0.081 8 0 "[ . 1]" 1
70 1 7 DA H1' 1 7 DA H8 . 3.680 3.950 3.908 3.860 3.934 . 0 0 "[ . 1]" 1
71 1 7 DA H1' 1 8 DA H8 . . 4.000 3.844 3.446 4.093 0.093 5 0 "[ . 1]" 1
72 1 7 DA H2 2 4 U H3 . 2.300 2.800 2.720 2.409 2.832 0.032 3 0 "[ . 1]" 1
73 1 7 DA H2 2 5 C H1' . 3.000 3.500 3.026 2.984 3.159 0.016 2 0 "[ . 1]" 1
74 1 7 DA Q2' 1 7 DA H4' . 3.500 3.900 3.264 2.474 3.446 1.026 1 2 "[+ - 1]" 1
75 1 7 DA Q2' 1 8 DA H8 . . 5.500 2.343 1.986 2.615 0.014 5 0 "[ . 1]" 1
76 1 7 DA H3' 1 8 DA H8 . 4.000 5.500 4.924 3.965 5.308 0.035 1 0 "[ . 1]" 1
77 1 7 DA H8 1 8 DA H8 . 3.500 5.000 4.580 4.400 4.900 . 0 0 "[ . 1]" 1
78 1 7 DA N1 2 4 U N3 . 2.600 3.000 2.930 2.903 2.963 . 0 0 "[ . 1]" 1
79 1 7 DA N6 2 4 U O4 . 2.800 3.200 2.991 2.909 3.145 . 0 0 "[ . 1]" 1
80 1 8 DA H1' 1 8 DA H4' . 2.910 3.100 2.835 2.697 3.089 0.213 2 0 "[ . 1]" 1
81 1 8 DA H1' 1 8 DA H8 . 3.680 3.950 3.896 3.785 3.927 . 0 0 "[ . 1]" 1
82 1 8 DA H1' 1 9 DG H8 . . 4.000 3.939 3.789 4.100 0.100 1 0 "[ . 1]" 1
83 1 8 DA H2 2 3 U H3 . 2.300 2.800 2.758 2.376 2.829 0.029 5 0 "[ . 1]" 1
84 1 8 DA H2 2 4 U H1' . 3.000 3.500 3.037 2.984 3.217 0.016 1 0 "[ . 1]" 1
85 1 8 DA Q2' 1 9 DG H8 . . 5.500 2.363 2.031 2.752 . 0 0 "[ . 1]" 1
86 1 8 DA H3' 1 9 DG H8 . 4.000 5.500 4.896 3.963 5.494 0.037 1 0 "[ . 1]" 1
87 1 8 DA H8 1 9 DG H8 . 3.500 5.000 4.469 4.306 4.702 . 0 0 "[ . 1]" 1
88 1 8 DA N1 2 3 U N3 . 2.600 3.000 2.916 2.896 2.938 . 0 0 "[ . 1]" 1
89 1 8 DA N6 2 3 U O4 . 2.800 3.200 2.989 2.916 3.056 . 0 0 "[ . 1]" 1
90 1 9 DG H1 2 2 C H41 . 2.500 2.700 2.637 2.488 2.717 0.017 8 0 "[ . 1]" 1
91 1 9 DG H1' 1 9 DG H4' . 2.910 3.100 2.829 2.697 3.110 0.213 3 0 "[ . 1]" 1
92 1 9 DG H1' 1 9 DG H8 . 3.680 3.950 3.892 3.762 3.934 . 0 0 "[ . 1]" 1
93 1 9 DG H1' 1 10 DC H6 . . 4.000 3.876 3.683 4.109 0.109 1 0 "[ . 1]" 1
94 1 9 DG Q2' 1 10 DC H6 . . 5.500 2.181 1.972 2.306 0.028 7 0 "[ . 1]" 1
95 1 9 DG H3' 1 10 DC H6 . 4.000 5.500 4.689 3.952 5.040 0.048 1 0 "[ . 1]" 1
96 1 9 DG H8 1 10 DC H6 . 3.500 5.000 4.799 4.701 5.007 0.007 7 0 "[ . 1]" 1
97 1 9 DG N1 2 2 C N3 . 2.800 3.200 2.950 2.917 3.004 . 0 0 "[ . 1]" 1
98 1 9 DG N2 2 2 C O2 . 2.700 3.100 2.921 2.850 2.944 . 0 0 "[ . 1]" 1
99 1 9 DG O6 2 2 C N4 . 2.700 3.100 2.953 2.905 3.034 . 0 0 "[ . 1]" 1
100 1 10 DC H1' 1 10 DC H4' . 2.910 3.100 2.812 2.700 3.038 0.210 6 0 "[ . 1]" 1
101 1 10 DC H1' 1 10 DC H6 . 3.680 3.950 3.702 3.606 3.739 0.074 7 0 "[ . 1]" 1
102 1 10 DC H41 2 1 G H1 . 2.500 2.700 2.638 2.487 2.704 0.013 1 0 "[ . 1]" 1
103 1 10 DC N3 2 1 G N1 . 2.800 3.200 2.942 2.920 2.988 . 0 0 "[ . 1]" 1
104 1 10 DC N4 2 1 G O6 . 2.700 3.100 2.951 2.870 2.982 . 0 0 "[ . 1]" 1
105 1 10 DC O2 2 1 G N2 . 2.700 3.100 2.942 2.913 2.984 . 0 0 "[ . 1]" 1
106 2 1 G H1' 2 1 G H8 . 3.000 3.800 3.745 3.636 3.803 0.003 7 0 "[ . 1]" 1
107 2 1 G H1' 2 2 C H6 . 3.300 4.700 4.723 4.718 4.739 0.039 3 0 "[ . 1]" 1
108 2 1 G H2' 2 1 G H8 . 3.000 5.000 4.069 3.915 4.249 . 0 0 "[ . 1]" 1
109 2 1 G H2' 2 2 C H6 . 2.200 2.400 2.290 2.188 2.411 0.012 3 0 "[ . 1]" 1
110 2 1 G H8 2 2 C H5 . 3.500 6.000 4.229 3.988 4.744 . 0 0 "[ . 1]" 1
111 2 2 C H1' 2 2 C H6 . 3.000 3.800 3.581 3.481 3.641 . 0 0 "[ . 1]" 1
112 2 2 C H1' 2 3 U H6 . 3.300 4.700 4.723 4.712 4.734 0.034 9 0 "[ . 1]" 1
113 2 2 C H2' 2 2 C H6 . 3.000 5.000 4.053 3.781 4.330 . 0 0 "[ . 1]" 1
114 2 2 C H6 2 3 U H5 . 3.500 6.000 4.501 4.305 4.743 . 0 0 "[ . 1]" 1
115 2 3 U H1' 2 3 U H6 . 3.000 3.800 3.587 3.457 3.639 . 0 0 "[ . 1]" 1
116 2 3 U H1' 2 4 U H6 . 3.300 4.700 4.724 4.717 4.736 0.036 6 0 "[ . 1]" 1
117 2 3 U H2' 2 3 U H6 . 3.000 5.000 4.016 3.820 4.395 . 0 0 "[ . 1]" 1
118 2 3 U H2' 2 4 U H6 . 2.200 2.400 2.263 2.184 2.345 0.016 10 0 "[ . 1]" 1
119 2 3 U H6 2 4 U H5 . 4.000 5.000 4.619 4.424 4.891 . 0 0 "[ . 1]" 1
120 2 4 U H1' 2 4 U H6 . 3.000 3.800 3.577 3.486 3.661 . 0 0 "[ . 1]" 1
121 2 4 U H1' 2 5 C H6 . 3.300 4.700 4.717 4.710 4.724 0.024 3 0 "[ . 1]" 1
122 2 4 U H2' 2 4 U H6 . 3.000 5.000 4.050 3.718 4.338 . 0 0 "[ . 1]" 1
123 2 4 U H6 2 5 C H5 . 3.500 6.000 4.418 4.267 4.543 . 0 0 "[ . 1]" 1
124 2 5 C H1' 2 5 C H6 . 3.000 3.800 3.605 3.530 3.637 . 0 0 "[ . 1]" 1
125 2 5 C H1' 2 6 U H6 . 3.300 4.700 4.720 4.713 4.726 0.026 5 0 "[ . 1]" 1
126 2 5 C H2' 2 5 C H6 . 3.000 5.000 3.957 3.747 4.259 . 0 0 "[ . 1]" 1
127 2 5 C H6 2 6 U H5 . 3.500 6.000 4.557 4.317 4.743 . 0 0 "[ . 1]" 1
128 2 6 U H1' 2 6 U H6 . 3.000 3.800 3.580 3.495 3.646 . 0 0 "[ . 1]" 1
129 2 6 U H1' 2 7 C H6 . 3.300 4.700 4.716 4.711 4.722 0.022 2 0 "[ . 1]" 1
130 2 6 U H2' 2 6 U H6 . 3.000 5.000 4.040 3.777 4.320 . 0 0 "[ . 1]" 1
131 2 6 U H6 2 7 C H5 . 3.500 6.000 4.417 4.249 4.586 . 0 0 "[ . 1]" 1
132 2 7 C H1' 2 7 C H6 . 3.000 3.800 3.585 3.521 3.640 . 0 0 "[ . 1]" 1
133 2 7 C H1' 2 8 U H6 . 3.300 4.700 4.719 4.713 4.729 0.029 8 0 "[ . 1]" 1
134 2 7 C H2' 2 7 C H6 . 3.000 5.000 4.050 3.781 4.264 . 0 0 "[ . 1]" 1
135 2 7 C H6 2 8 U H5 . 3.500 6.000 4.400 4.198 4.698 . 0 0 "[ . 1]" 1
136 2 8 U H1' 2 8 U H6 . 3.000 3.800 3.592 3.511 3.654 . 0 0 "[ . 1]" 1
137 2 8 U H1' 2 9 U H6 . 3.300 4.700 4.720 4.710 4.732 0.032 1 0 "[ . 1]" 1
138 2 8 U H2' 2 8 U H6 . 3.000 5.000 4.034 3.711 4.298 . 0 0 "[ . 1]" 1
139 2 8 U H2' 2 9 U H6 . 2.100 2.300 2.205 2.125 2.272 . 0 0 "[ . 1]" 1
140 2 8 U H6 2 9 U H5 . 3.500 6.000 4.271 4.127 4.502 . 0 0 "[ . 1]" 1
141 2 9 U H1' 2 9 U H6 . 3.000 3.800 3.637 3.572 3.663 . 0 0 "[ . 1]" 1
142 2 9 U H1' 2 10 C H6 . 3.300 4.700 4.721 4.708 4.725 0.025 6 0 "[ . 1]" 1
143 2 9 U H2' 2 9 U H6 . 3.000 5.000 3.852 3.704 4.108 . 0 0 "[ . 1]" 1
144 2 9 U H2' 2 10 C H6 . 2.100 2.300 2.186 2.137 2.306 0.006 8 0 "[ . 1]" 1
145 2 9 U H6 2 10 C H5 . 3.500 6.000 4.191 3.995 4.377 . 0 0 "[ . 1]" 1
146 2 10 C H1' 2 10 C H6 . 3.000 3.800 3.654 3.557 3.676 . 0 0 "[ . 1]" 1
147 2 10 C H2' 2 10 C H6 . 3.000 5.000 3.752 3.647 4.181 . 0 0 "[ . 1]" 1
stop_
save_
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