NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
437880 |
2k41   |
15781 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k41
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 260
_Distance_constraint_stats_list.Viol_count 408
_Distance_constraint_stats_list.Viol_total 264.662
_Distance_constraint_stats_list.Viol_max 0.244
_Distance_constraint_stats_list.Viol_rms 0.0322
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0102
_Distance_constraint_stats_list.Viol_average_violations_only 0.0649
_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 1.412 0.124 6 0 "[ . 1]"
1 2 U 5.558 0.237 8 0 "[ . 1]"
1 3 C 4.996 0.237 8 0 "[ . 1]"
1 4 G 6.029 0.244 6 0 "[ . 1]"
1 5 U 3.323 0.244 6 0 "[ . 1]"
1 6 G 1.639 0.183 6 0 "[ . 1]"
1 7 C 0.403 0.081 2 0 "[ . 1]"
1 8 U 0.925 0.069 2 0 "[ . 1]"
1 9 G 2.668 0.154 6 0 "[ . 1]"
2 1 C 0.176 0.031 10 0 "[ . 1]"
2 2 A 1.868 0.131 6 0 "[ . 1]"
2 3 G 1.423 0.075 5 0 "[ . 1]"
2 4 C 0.865 0.084 8 0 "[ . 1]"
2 5 C 1.937 0.154 5 0 "[ . 1]"
2 6 G 1.405 0.109 6 0 "[ . 1]"
2 7 A 2.718 0.152 9 0 "[ . 1]"
2 8 C 1.848 0.172 9 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 H2' 3.079 2.617 4.003 2.770 2.762 2.778 . 0 0 "[ . 1]" 1
2 1 1 G H1' 1 1 G H3' 3.160 2.686 4.108 3.856 3.845 3.872 . 0 0 "[ . 1]" 1
3 1 1 G H1' 1 1 G H4' 3.010 2.559 3.913 3.510 3.486 3.551 . 0 0 "[ . 1]" 1
4 1 1 G H1' 1 1 G H8 3.581 3.044 4.655 3.739 3.701 3.771 . 0 0 "[ . 1]" 1
5 1 1 G H1' 1 2 U H6 3.500 2.500 4.500 4.605 4.589 4.624 0.124 6 0 "[ . 1]" 1
6 1 1 G H2' 1 1 G H3' 2.657 2.258 3.454 2.409 2.400 2.413 . 0 0 "[ . 1]" 1
7 1 1 G H2' 1 1 G H8 3.488 2.965 4.534 3.972 3.857 4.073 . 0 0 "[ . 1]" 1
8 1 1 G H2' 1 2 U H5 3.208 2.727 4.170 2.941 2.768 3.081 . 0 0 "[ . 1]" 1
9 1 1 G H2' 1 2 U H5' 3.288 2.795 4.274 3.121 3.003 3.207 . 0 0 "[ . 1]" 1
10 1 1 G H2' 1 2 U H6 2.000 . 3.500 1.867 1.855 1.877 . 0 0 "[ . 1]" 1
11 1 1 G H3' 1 1 G H8 3.316 2.819 4.311 2.866 2.782 2.998 0.037 10 0 "[ . 1]" 1
12 1 1 G H3' 1 2 U H5 3.195 2.716 4.153 2.842 2.700 3.059 0.016 1 0 "[ . 1]" 1
13 1 1 G H3' 1 2 U H6 2.501 2.126 3.251 3.156 2.959 3.266 0.015 5 0 "[ . 1]" 1
14 1 1 G H4' 1 1 G H5' 2.139 . 2.781 2.585 2.552 2.607 . 0 0 "[ . 1]" 1
15 1 1 G H5' 1 1 G H8 3.377 3.151 4.390 3.137 3.127 3.148 0.024 6 0 "[ . 1]" 1
16 1 2 U H1' 1 2 U H2' 2.626 2.232 3.414 2.756 2.750 2.766 . 0 0 "[ . 1]" 1
17 1 2 U H1' 1 2 U H3' 3.030 2.576 3.939 3.815 3.804 3.826 . 0 0 "[ . 1]" 1
18 1 2 U H1' 1 2 U H4' 2.934 2.494 3.814 3.503 3.445 3.544 . 0 0 "[ . 1]" 1
19 1 2 U H1' 1 2 U H5' 3.719 3.161 4.835 4.620 4.590 4.641 . 0 0 "[ . 1]" 1
20 1 2 U H1' 1 3 C H6 3.233 2.748 4.203 4.422 4.403 4.440 0.237 8 0 "[ . 1]" 1
21 1 2 U H2' 1 2 U H6 3.143 2.671 4.086 3.768 3.698 3.822 . 0 0 "[ . 1]" 1
22 1 2 U H2' 1 3 C H1' 3.499 2.974 4.549 3.598 3.189 3.871 . 0 0 "[ . 1]" 1
23 1 2 U H2' 1 3 C H5 3.233 2.748 4.203 3.920 3.822 3.978 . 0 0 "[ . 1]" 1
24 1 2 U H2' 1 3 C H6 2.364 2.009 3.073 1.917 1.901 1.928 0.108 5 0 "[ . 1]" 1
25 1 2 U H3 1 3 C H1' 3.400 . 6.000 4.229 4.052 4.458 . 0 0 "[ . 1]" 1
26 1 2 U H3 1 3 C H41 3.400 . 6.000 4.204 4.013 4.360 . 0 0 "[ . 1]" 1
27 1 2 U H3 1 3 C H5 3.400 . 6.000 4.494 4.356 4.551 . 0 0 "[ . 1]" 1
28 1 2 U H3 2 8 C H42 3.400 . 6.000 5.773 5.602 5.970 . 0 0 "[ . 1]" 1
29 1 2 U H3' 1 2 U H5 3.332 2.832 4.332 4.275 4.200 4.333 0.001 9 0 "[ . 1]" 1
30 1 2 U H3' 1 2 U H6 2.740 2.329 3.562 2.448 2.362 2.508 . 0 0 "[ . 1]" 1
31 1 2 U H3' 1 3 C H5 3.526 2.997 4.584 3.615 3.505 3.763 . 0 0 "[ . 1]" 1
32 1 2 U H3' 1 3 C H6 2.709 2.303 3.522 2.951 2.823 3.073 . 0 0 "[ . 1]" 1
33 1 2 U H4' 1 2 U H5' 1.809 . 2.352 2.483 2.460 2.512 0.160 1 0 "[ . 1]" 1
34 1 2 U H4' 1 2 U H6 3.201 2.721 4.161 3.861 3.808 3.922 . 0 0 "[ . 1]" 1
35 1 2 U H5 1 2 U H6 2.512 2.135 3.265 2.405 2.404 2.407 . 0 0 "[ . 1]" 1
36 1 2 U H5 1 3 C H5 2.914 2.477 3.788 3.694 3.565 3.807 0.019 5 0 "[ . 1]" 1
37 1 2 U H5 1 3 C H6 4.222 3.589 5.489 5.069 4.989 5.176 . 0 0 "[ . 1]" 1
38 1 2 U H5' 1 2 U H6 3.218 2.735 4.183 3.190 3.053 3.357 . 0 0 "[ . 1]" 1
39 1 2 U H6 1 3 C H5 3.717 3.159 4.832 4.073 3.932 4.200 . 0 0 "[ . 1]" 1
40 1 3 C H1' 1 3 C H2' 2.598 2.208 3.377 2.811 2.801 2.835 . 0 0 "[ . 1]" 1
41 1 3 C H1' 1 3 C H3' 3.042 2.586 3.954 3.836 3.804 3.875 . 0 0 "[ . 1]" 1
42 1 3 C H1' 1 3 C H4' 2.730 2.321 3.549 3.316 3.252 3.345 . 0 0 "[ . 1]" 1
43 1 3 C H1' 1 3 C H5' 3.715 3.158 4.829 4.627 4.594 4.746 . 0 0 "[ . 1]" 1
44 1 3 C H1' 1 3 C H6 3.738 3.177 4.859 3.564 3.504 3.606 . 0 0 "[ . 1]" 1
45 1 3 C H1' 1 4 G H8 3.669 3.119 4.770 4.842 4.812 4.897 0.127 9 0 "[ . 1]" 1
46 1 3 C H1' 2 7 A H2 2.945 2.503 3.828 3.326 2.991 3.567 . 0 0 "[ . 1]" 1
47 1 3 C H2' 1 3 C H6 3.169 2.694 4.120 3.799 3.690 3.953 . 0 0 "[ . 1]" 1
48 1 3 C H2' 1 4 G H1' 3.505 2.979 4.557 4.383 4.138 4.574 0.017 9 0 "[ . 1]" 1
49 1 3 C H2' 1 4 G H8 2.549 2.167 3.314 2.254 2.201 2.338 . 0 0 "[ . 1]" 1
50 1 3 C H3' 1 3 C H6 2.316 . 3.011 2.723 2.442 3.025 0.014 5 0 "[ . 1]" 1
51 1 3 C H3' 1 4 G H8 2.687 2.284 3.493 3.013 2.827 3.117 . 0 0 "[ . 1]" 1
52 1 3 C H4' 1 3 C H6 3.693 3.139 4.801 4.059 4.014 4.127 . 0 0 "[ . 1]" 1
53 1 3 C H5 1 3 C H6 2.452 2.084 3.188 2.437 2.434 2.438 . 0 0 "[ . 1]" 1
54 1 3 C H5 1 4 G H8 3.736 3.176 4.857 4.967 4.932 5.010 0.153 3 0 "[ . 1]" 1
55 1 3 C H5' 1 3 C H6 2.918 2.480 3.793 3.577 3.445 3.808 0.015 5 0 "[ . 1]" 1
56 1 4 G H1 1 6 G H1 3.400 . 6.000 4.318 3.947 4.592 . 0 0 "[ . 1]" 1
57 1 4 G H1' 1 4 G H2' 2.742 2.331 3.565 3.038 3.020 3.054 . 0 0 "[ . 1]" 1
58 1 4 G H1' 1 4 G H3' 3.459 2.940 4.497 3.934 3.881 3.978 . 0 0 "[ . 1]" 1
59 1 4 G H1' 1 4 G H4' 2.966 2.521 3.856 3.317 3.294 3.373 . 0 0 "[ . 1]" 1
60 1 4 G H1' 1 4 G H5' 3.787 3.219 4.923 4.583 4.459 4.684 . 0 0 "[ . 1]" 1
61 1 4 G H1' 1 4 G H8 3.624 3.080 4.711 3.852 3.831 3.879 . 0 0 "[ . 1]" 1
62 1 4 G H1' 1 5 U H6 4.500 4.000 6.500 3.932 3.756 4.372 0.244 6 0 "[ . 1]" 1
63 1 4 G H1' 1 6 G H8 3.689 2.836 4.796 4.820 4.785 4.842 0.046 6 0 "[ . 1]" 1
64 1 4 G H1' 2 6 G H1 3.400 . 6.000 5.220 4.725 5.685 . 0 0 "[ . 1]" 1
65 1 4 G H2' 1 4 G H3' 2.290 . 2.977 2.357 2.339 2.376 . 0 0 "[ . 1]" 1
66 1 4 G H2' 1 4 G H8 2.478 2.106 3.221 3.012 2.859 3.162 . 0 0 "[ . 1]" 1
67 1 4 G H2' 1 5 U H6 2.976 2.230 4.169 4.234 4.215 4.259 0.090 2 0 "[ . 1]" 1
68 1 4 G H2' 1 6 G H8 3.000 2.500 4.000 3.793 3.643 4.065 0.065 3 0 "[ . 1]" 1
69 1 4 G H3' 1 4 G H4' 2.296 . 2.985 2.747 2.714 2.780 . 0 0 "[ . 1]" 1
70 1 4 G H3' 1 4 G H5' 2.639 2.243 3.431 3.604 3.573 3.629 0.198 5 0 "[ . 1]" 1
71 1 4 G H3' 1 4 G H8 3.201 2.721 4.561 4.413 4.225 4.628 0.067 10 0 "[ . 1]" 1
72 1 4 G H3' 1 5 U H6 3.900 3.015 5.370 4.153 3.587 4.546 . 0 0 "[ . 1]" 1
73 1 4 G H5' 1 4 G H8 3.282 2.790 4.266 3.660 3.465 3.817 . 0 0 "[ . 1]" 1
74 1 5 U H1' 1 5 U H3' 3.677 2.825 5.080 3.904 3.853 3.976 . 0 0 "[ . 1]" 1
75 1 5 U H1' 1 5 U H4' 3.414 2.602 4.738 3.444 3.096 3.709 . 0 0 "[ . 1]" 1
76 1 5 U H2' 1 5 U H3' 2.750 2.037 3.875 2.401 2.392 2.409 . 0 0 "[ . 1]" 1
77 1 5 U H3' 1 5 U H4' 2.347 . 3.051 2.884 2.616 3.020 . 0 0 "[ . 1]" 1
78 1 5 U H3' 1 5 U H5' . 3.000 3.494 3.553 3.393 3.660 0.166 8 0 "[ . 1]" 1
79 1 5 U H3' 1 5 U H6 2.630 . 3.719 2.526 1.876 3.777 0.059 2 0 "[ . 1]" 1
80 1 5 U H3' 1 6 G H8 4.000 3.500 6.500 5.393 4.766 5.853 . 0 0 "[ . 1]" 1
81 1 5 U H5 1 5 U H6 2.510 2.134 3.263 2.409 2.404 2.414 . 0 0 "[ . 1]" 1
82 1 5 U H5' 1 5 U H6 3.039 2.283 4.251 3.734 2.540 4.327 0.076 2 0 "[ . 1]" 1
83 1 6 G H1 1 7 C H42 3.400 . 6.000 4.889 4.546 5.681 . 0 0 "[ . 1]" 1
84 1 6 G H1 1 7 C H5 3.400 . 6.000 5.931 5.543 6.052 0.052 2 0 "[ . 1]" 1
85 1 6 G H1 2 3 G H1 3.400 . 6.000 3.550 3.259 4.196 . 0 0 "[ . 1]" 1
86 1 6 G H1 2 5 C H1' 3.400 . 7.000 5.187 4.858 5.554 . 0 0 "[ . 1]" 1
87 1 6 G H1 2 5 C H6 3.400 . 7.000 5.287 4.975 5.618 . 0 0 "[ . 1]" 1
88 1 6 G H1' 1 6 G H2' 2.780 2.363 3.614 2.850 2.819 2.876 . 0 0 "[ . 1]" 1
89 1 6 G H1' 1 6 G H3' 3.095 2.631 4.023 3.885 3.864 3.904 . 0 0 "[ . 1]" 1
90 1 6 G H1' 1 6 G H4' 2.867 2.437 3.727 3.205 3.111 3.313 . 0 0 "[ . 1]" 1
91 1 6 G H1' 1 6 G Q5' 3.500 3.000 5.500 4.121 4.093 4.136 . 0 0 "[ . 1]" 1
92 1 6 G H1' 1 6 G H8 3.344 2.842 4.347 3.655 3.556 3.798 . 0 0 "[ . 1]" 1
93 1 6 G H2' 1 6 G H3' 2.376 2.020 3.089 2.391 2.382 2.399 . 0 0 "[ . 1]" 1
94 1 6 G H2' 1 6 G H5' 3.723 3.165 5.040 4.769 4.555 5.139 0.099 8 0 "[ . 1]" 1
95 1 6 G H2' 1 6 G H8 2.888 2.455 4.054 4.013 3.628 4.237 0.183 6 0 "[ . 1]" 1
96 1 6 G H2' 1 7 C H1' 3.985 3.387 5.180 3.901 3.465 4.447 . 0 0 "[ . 1]" 1
97 1 6 G H2' 1 7 C H5 3.300 2.805 4.290 3.179 2.763 3.760 0.042 2 0 "[ . 1]" 1
98 1 6 G H2' 1 7 C H6 2.631 2.236 3.420 2.357 2.225 2.540 0.011 6 0 "[ . 1]" 1
99 1 6 G H3' 1 6 G H8 2.500 . 3.500 3.392 3.055 3.575 0.075 10 0 "[ . 1]" 1
100 1 6 G H4' 1 6 G H8 3.000 2.500 4.500 4.491 4.446 4.534 0.034 3 0 "[ . 1]" 1
101 1 6 G Q5' 1 6 G H8 3.000 2.500 5.500 3.071 2.818 3.406 . 0 0 "[ . 1]" 1
102 1 7 C H1' 1 7 C H6 3.288 2.795 4.274 3.567 3.475 3.646 . 0 0 "[ . 1]" 1
103 1 7 C H2' 1 8 U H5 3.351 2.848 4.356 3.695 3.532 3.959 . 0 0 "[ . 1]" 1
104 1 7 C H3' 1 7 C H6 2.500 . 3.500 2.698 2.295 3.076 . 0 0 "[ . 1]" 1
105 1 7 C H3' 1 8 U H5 3.097 2.632 4.026 3.702 3.429 4.028 0.002 10 0 "[ . 1]" 1
106 1 7 C H42 1 8 U H3 3.400 . 6.000 5.384 4.999 5.938 . 0 0 "[ . 1]" 1
107 1 7 C H5 1 7 C H6 2.471 2.100 3.212 2.440 2.439 2.444 . 0 0 "[ . 1]" 1
108 1 7 C H5 1 8 U H5 3.469 2.949 4.510 3.728 3.462 4.094 . 0 0 "[ . 1]" 1
109 1 7 C H5' 1 7 C H6 2.885 2.452 3.751 3.656 3.573 3.832 0.081 2 0 "[ . 1]" 1
110 1 7 C H6 1 8 U H5 3.313 2.816 4.307 4.105 3.864 4.323 0.016 5 0 "[ . 1]" 1
111 1 8 U H1' 1 8 U H2' 2.876 2.445 3.739 2.824 2.805 2.852 . 0 0 "[ . 1]" 1
112 1 8 U H1' 1 8 U H3' 3.016 2.564 3.921 3.870 3.846 3.893 . 0 0 "[ . 1]" 1
113 1 8 U H1' 1 8 U H4' 2.594 2.205 3.372 3.302 3.201 3.386 0.014 5 0 "[ . 1]" 1
114 1 8 U H1' 1 8 U H5' 3.597 3.057 4.676 4.573 4.466 4.640 . 0 0 "[ . 1]" 1
115 1 8 U H1' 1 9 G H8 3.684 3.131 4.789 4.807 4.765 4.836 0.047 2 0 "[ . 1]" 1
116 1 8 U H2' 1 8 U H6 2.832 2.407 3.882 3.725 3.452 3.916 0.034 5 0 "[ . 1]" 1
117 1 8 U H2' 1 9 G H1' 3.337 2.836 4.338 4.354 4.265 4.376 0.038 9 0 "[ . 1]" 1
118 1 8 U H2' 1 9 G H8 2.491 2.117 3.238 2.079 2.048 2.103 0.069 2 0 "[ . 1]" 1
119 1 8 U H3 2 1 C H42 3.400 . 6.000 5.372 5.066 5.590 . 0 0 "[ . 1]" 1
120 1 8 U H3 2 3 G H1 3.400 . 6.000 3.573 3.216 3.804 . 0 0 "[ . 1]" 1
121 1 8 U H3' 1 8 U H5 3.745 3.183 4.868 4.662 4.435 4.804 . 0 0 "[ . 1]" 1
122 1 8 U H3' 1 8 U H6 2.331 . 3.030 2.761 2.403 2.937 . 0 0 "[ . 1]" 1
123 1 8 U H3' 1 9 G H8 2.684 2.281 3.489 3.401 3.278 3.516 0.027 10 0 "[ . 1]" 1
124 1 8 U H5 1 8 U H6 2.412 2.050 3.136 2.407 2.406 2.408 . 0 0 "[ . 1]" 1
125 1 8 U H5' 1 8 U H6 3.627 3.083 4.715 3.504 3.309 3.903 . 0 0 "[ . 1]" 1
126 1 9 G H1' 1 9 G H2' 2.709 2.303 3.522 2.825 2.816 2.831 . 0 0 "[ . 1]" 1
127 1 9 G H1' 1 9 G H3' 3.063 2.604 3.982 3.879 3.874 3.883 . 0 0 "[ . 1]" 1
128 1 9 G H1' 1 9 G H4' 2.898 2.463 3.768 3.328 3.298 3.368 . 0 0 "[ . 1]" 1
129 1 9 G H1' 1 9 G H8 3.532 3.002 4.592 3.759 3.729 3.806 . 0 0 "[ . 1]" 1
130 1 9 G H1' 2 2 A H2 3.778 3.211 4.911 3.867 3.353 4.755 . 0 0 "[ . 1]" 1
131 1 9 G H3' 1 9 G H8 2.596 2.207 3.375 2.880 2.641 3.032 . 0 0 "[ . 1]" 1
132 1 9 G H4' 1 9 G H5' 1.793 . 2.331 2.456 2.420 2.485 0.154 6 0 "[ . 1]" 1
133 1 9 G H4' 1 9 G H8 3.370 2.865 4.381 4.318 4.280 4.348 . 0 0 "[ . 1]" 1
134 1 9 G H5' 1 9 G H8 2.837 2.411 3.688 3.745 3.727 3.769 0.081 10 0 "[ . 1]" 1
135 2 1 C H1' 2 1 C H2' 2.641 2.245 3.433 2.768 2.760 2.776 . 0 0 "[ . 1]" 1
136 2 1 C H1' 2 1 C H3' 3.183 2.706 4.138 3.851 3.838 3.873 . 0 0 "[ . 1]" 1
137 2 1 C H1' 2 1 C H4' 2.971 2.525 3.862 3.550 3.513 3.588 . 0 0 "[ . 1]" 1
138 2 1 C H1' 2 1 C H5' 3.788 3.220 4.924 4.502 4.432 4.555 . 0 0 "[ . 1]" 1
139 2 1 C H1' 2 1 C H6 3.343 2.842 4.346 3.632 3.589 3.648 . 0 0 "[ . 1]" 1
140 2 1 C H1' 2 2 A H1' 3.935 3.345 5.116 5.089 5.000 5.142 0.026 5 0 "[ . 1]" 1
141 2 1 C H1' 2 2 A H8 3.591 3.052 4.668 4.451 4.338 4.699 0.031 10 0 "[ . 1]" 1
142 2 1 C H2' 2 1 C H6 2.931 2.491 3.810 3.679 3.606 3.828 0.018 6 0 "[ . 1]" 1
143 2 1 C H2' 2 2 A H1' 3.211 2.729 4.174 3.523 3.192 3.717 . 0 0 "[ . 1]" 1
144 2 1 C H2' 2 2 A H8 2.406 2.045 3.128 2.066 2.031 2.127 0.014 5 0 "[ . 1]" 1
145 2 1 C H3' 2 1 C H6 2.482 2.110 3.227 2.382 2.293 2.586 . 0 0 "[ . 1]" 1
146 2 1 C H3' 2 2 A H8 2.654 2.256 3.450 2.559 2.313 2.753 . 0 0 "[ . 1]" 1
147 2 1 C H4' 2 1 C H5' 2.129 . 2.768 2.612 2.553 2.693 . 0 0 "[ . 1]" 1
148 2 1 C H4' 2 1 C H6 3.583 3.046 4.658 3.797 3.752 3.838 . 0 0 "[ . 1]" 1
149 2 1 C H5 2 1 C H6 2.401 2.041 3.121 2.438 2.437 2.438 . 0 0 "[ . 1]" 1
150 2 1 C H5' 2 1 C H6 2.765 2.615 3.595 2.850 2.604 3.102 0.011 6 0 "[ . 1]" 1
151 2 1 C H6 2 2 A H8 3.162 2.688 4.111 3.772 3.625 4.090 . 0 0 "[ . 1]" 1
152 2 2 A H1' 2 2 A H2 4.626 3.932 6.014 4.755 4.726 4.779 . 0 0 "[ . 1]" 1
153 2 2 A H1' 2 2 A H2' 3.140 2.669 4.082 2.815 2.796 2.829 . 0 0 "[ . 1]" 1
154 2 2 A H1' 2 2 A H3' 3.386 2.878 4.402 3.831 3.814 3.846 . 0 0 "[ . 1]" 1
155 2 2 A H1' 2 2 A H4' 3.411 2.899 4.434 3.291 3.238 3.360 . 0 0 "[ . 1]" 1
156 2 2 A H1' 2 2 A H5' 4.196 3.612 5.455 4.585 4.547 4.673 . 0 0 "[ . 1]" 1
157 2 2 A H1' 2 2 A H8 3.500 2.975 4.550 3.711 3.699 3.728 . 0 0 "[ . 1]" 1
158 2 2 A H1' 2 3 G H8 3.892 3.308 5.060 5.000 4.896 5.064 0.004 8 0 "[ . 1]" 1
159 2 2 A H2 2 3 G H1 3.400 . 6.000 5.655 5.152 5.960 . 0 0 "[ . 1]" 1
160 2 2 A H2 2 3 G H1' 3.471 2.950 4.512 4.466 4.272 4.533 0.021 4 0 "[ . 1]" 1
161 2 2 A H2' 2 2 A H3' 2.485 2.112 3.231 2.420 2.414 2.428 . 0 0 "[ . 1]" 1
162 2 2 A H2' 2 2 A H8 3.606 3.065 4.688 4.027 3.991 4.078 . 0 0 "[ . 1]" 1
163 2 2 A H2' 2 3 G H8 2.987 2.539 3.883 2.481 2.464 2.503 0.075 5 0 "[ . 1]" 1
164 2 2 A H3' 2 2 A H4' 2.811 2.389 3.654 3.015 3.011 3.019 . 0 0 "[ . 1]" 1
165 2 2 A H3' 2 2 A H5' 2.769 2.399 3.600 3.707 3.690 3.731 0.131 6 0 "[ . 1]" 1
166 2 2 A H3' 2 2 A H8 2.729 2.320 3.548 3.068 2.994 3.127 . 0 0 "[ . 1]" 1
167 2 2 A H3' 2 3 G H8 3.194 2.715 4.152 3.757 3.617 3.862 . 0 0 "[ . 1]" 1
168 2 2 A H4' 2 2 A H5' 2.178 . 2.831 2.478 2.414 2.522 . 0 0 "[ . 1]" 1
169 2 2 A H5' 2 2 A H8 3.164 2.689 4.113 3.850 3.765 3.911 . 0 0 "[ . 1]" 1
170 2 2 A H8 2 3 G H8 4.319 3.671 5.615 5.103 4.824 5.249 . 0 0 "[ . 1]" 1
171 2 3 G H1 2 4 C H42 3.400 . 6.000 5.328 4.528 5.742 . 0 0 "[ . 1]" 1
172 2 3 G H1' 2 3 G H2' 2.591 2.202 3.368 2.789 2.779 2.809 . 0 0 "[ . 1]" 1
173 2 3 G H1' 2 3 G H3' 2.902 2.467 3.773 3.809 3.796 3.826 0.053 10 0 "[ . 1]" 1
174 2 3 G H1' 2 3 G H4' 3.156 2.683 4.103 3.382 3.295 3.420 . 0 0 "[ . 1]" 1
175 2 3 G H1' 2 3 G H8 3.090 2.626 4.017 3.812 3.775 3.828 . 0 0 "[ . 1]" 1
176 2 3 G H1' 2 4 C H6 3.710 3.154 4.823 4.766 4.652 4.822 . 0 0 "[ . 1]" 1
177 2 3 G H2' 2 3 G H8 3.115 2.648 4.049 3.674 3.612 3.786 . 0 0 "[ . 1]" 1
178 2 3 G H2' 2 4 C H1' 3.400 2.890 4.420 3.472 2.862 4.446 0.028 8 0 "[ . 1]" 1
179 2 3 G H2' 2 4 C H5 3.621 3.078 4.707 3.610 3.172 3.838 . 0 0 "[ . 1]" 1
180 2 3 G H2' 2 4 C H6 2.456 2.088 3.193 2.074 2.037 2.127 0.051 9 0 "[ . 1]" 1
181 2 3 G H3' 2 4 C H6 2.775 2.359 3.607 3.055 2.678 3.652 0.045 5 0 "[ . 1]" 1
182 2 3 G H5' 2 3 G H8 3.016 2.564 3.921 3.354 3.243 3.552 . 0 0 "[ . 1]" 1
183 2 4 C H1' 2 4 C H2' 2.740 2.329 3.562 2.797 2.789 2.810 . 0 0 "[ . 1]" 1
184 2 4 C H1' 2 4 C H3' 3.211 2.729 4.174 3.820 3.807 3.834 . 0 0 "[ . 1]" 1
185 2 4 C H1' 2 4 C H4' 2.943 2.502 3.826 3.366 3.298 3.433 . 0 0 "[ . 1]" 1
186 2 4 C H1' 2 4 C H6 3.429 2.915 4.458 3.603 3.554 3.647 . 0 0 "[ . 1]" 1
187 2 4 C H1' 2 5 C H6 3.618 3.075 4.704 4.710 4.683 4.751 0.047 5 0 "[ . 1]" 1
188 2 4 C H2' 2 4 C H6 3.627 3.083 4.715 3.722 3.546 3.902 . 0 0 "[ . 1]" 1
189 2 4 C H2' 2 5 C H1' 3.555 3.022 4.622 4.316 3.678 4.706 0.084 8 0 "[ . 1]" 1
190 2 4 C H2' 2 5 C H5 2.852 2.424 3.708 3.376 3.102 3.753 0.045 10 0 "[ . 1]" 1
191 2 4 C H2' 2 5 C H6 2.346 . 3.050 2.017 1.966 2.085 0.028 4 0 "[ . 1]" 1
192 2 4 C H3' 2 4 C H5 3.487 2.964 4.533 4.398 4.221 4.537 0.004 4 0 "[ . 1]" 1
193 2 4 C H3' 2 4 C H6 2.665 2.265 3.465 2.508 2.268 2.708 . 0 0 "[ . 1]" 1
194 2 4 C H3' 2 5 C H5 3.282 2.790 4.266 3.350 3.203 3.547 . 0 0 "[ . 1]" 1
195 2 4 C H3' 2 5 C H6 2.627 2.233 3.415 3.228 2.864 3.377 . 0 0 "[ . 1]" 1
196 2 4 C H4' 2 4 C H5' 1.960 . 2.548 2.489 2.385 2.574 0.026 5 0 "[ . 1]" 1
197 2 4 C H5 2 4 C H6 2.506 2.130 3.258 2.439 2.437 2.440 . 0 0 "[ . 1]" 1
198 2 4 C H5 2 5 C H5 3.049 2.592 3.964 3.563 3.001 3.917 . 0 0 "[ . 1]" 1
199 2 4 C H5' 2 4 C H6 3.134 2.767 4.074 3.481 3.231 3.650 . 0 0 "[ . 1]" 1
200 2 4 C H6 2 5 C H5 3.894 3.310 5.062 3.737 3.437 3.967 . 0 0 "[ . 1]" 1
201 2 4 C H6 2 5 C H6 3.986 3.388 5.182 4.722 4.174 5.084 . 0 0 "[ . 1]" 1
202 2 5 C H1' 2 5 C H2' 2.643 2.247 3.436 2.784 2.768 2.811 . 0 0 "[ . 1]" 1
203 2 5 C H1' 2 5 C H3' 3.003 2.552 3.904 3.835 3.825 3.846 . 0 0 "[ . 1]" 1
204 2 5 C H1' 2 5 C H4' 3.050 2.593 3.965 3.445 3.307 3.525 . 0 0 "[ . 1]" 1
205 2 5 C H1' 2 5 C H5' 3.728 3.169 4.846 4.510 4.487 4.534 . 0 0 "[ . 1]" 1
206 2 5 C H1' 2 5 C H6 3.236 2.751 4.207 3.604 3.582 3.627 . 0 0 "[ . 1]" 1
207 2 5 C H1' 2 6 G H8 3.729 3.170 4.848 4.415 4.345 4.498 . 0 0 "[ . 1]" 1
208 2 5 C H2' 2 5 C H6 2.626 2.032 3.614 3.703 3.659 3.741 0.127 8 0 "[ . 1]" 1
209 2 5 C H2' 2 6 G H8 2.336 . 3.037 1.982 1.954 2.018 0.032 6 0 "[ . 1]" 1
210 2 5 C H3' 2 5 C H5 3.452 2.934 4.488 4.369 4.239 4.502 0.014 6 0 "[ . 1]" 1
211 2 5 C H3' 2 5 C H6 2.362 2.008 3.071 2.468 2.347 2.573 . 0 0 "[ . 1]" 1
212 2 5 C H3' 2 6 G H8 2.761 2.347 3.589 2.826 2.517 3.301 . 0 0 "[ . 1]" 1
213 2 5 C H4' 2 5 C H5' 2.500 . 3.500 2.605 2.578 2.630 . 0 0 "[ . 1]" 1
214 2 5 C H4' 2 5 C H6 2.972 2.526 3.864 3.902 3.824 4.018 0.154 5 0 "[ . 1]" 1
215 2 5 C H41 2 6 G H1 3.400 . 6.000 4.418 4.180 4.850 . 0 0 "[ . 1]" 1
216 2 5 C H5 2 5 C H6 2.422 2.059 3.149 2.442 2.440 2.447 . 0 0 "[ . 1]" 1
217 2 5 C H5' 2 5 C H6 3.250 2.762 4.225 3.038 2.835 3.295 . 0 0 "[ . 1]" 1
218 2 5 C H6 2 6 G H8 3.367 2.862 4.377 3.999 3.623 4.419 0.042 5 0 "[ . 1]" 1
219 2 6 G H1 2 7 A H2 3.400 . 6.000 4.952 4.211 5.264 . 0 0 "[ . 1]" 1
220 2 6 G H1' 2 6 G H2' 2.526 2.147 3.284 2.813 2.793 2.824 . 0 0 "[ . 1]" 1
221 2 6 G H1' 2 6 G H3' 2.987 2.539 3.883 3.826 3.811 3.836 . 0 0 "[ . 1]" 1
222 2 6 G H1' 2 6 G H4' 2.775 2.359 3.607 3.271 3.222 3.357 . 0 0 "[ . 1]" 1
223 2 6 G H1' 2 6 G H5' 3.804 3.233 4.945 4.543 4.497 4.582 . 0 0 "[ . 1]" 1
224 2 6 G H1' 2 6 G H8 3.424 2.910 4.451 3.686 3.647 3.742 . 0 0 "[ . 1]" 1
225 2 6 G H1' 2 7 A H8 3.407 2.896 4.429 4.444 4.349 4.486 0.057 7 0 "[ . 1]" 1
226 2 6 G H2' 2 6 G H8 3.243 2.757 4.216 4.046 3.952 4.121 . 0 0 "[ . 1]" 1
227 2 6 G H2' 2 7 A H1' 3.658 3.109 4.755 4.486 3.770 4.802 0.047 4 0 "[ . 1]" 1
228 2 6 G H2' 2 7 A H8 2.285 . 2.971 1.860 1.833 1.895 0.109 6 0 "[ . 1]" 1
229 2 6 G H3' 2 6 G H8 2.640 2.244 3.432 3.079 2.796 3.249 . 0 0 "[ . 1]" 1
230 2 6 G H5' 2 6 G H8 2.993 2.594 3.891 3.737 3.404 3.908 0.017 8 0 "[ . 1]" 1
231 2 6 G H8 2 7 A H8 3.890 3.307 5.057 4.819 4.422 5.083 0.026 2 0 "[ . 1]" 1
232 2 7 A H1' 2 7 A H2 3.699 3.144 4.809 4.728 4.718 4.736 . 0 0 "[ . 1]" 1
233 2 7 A H1' 2 7 A H2' 2.600 2.210 3.380 2.803 2.791 2.814 . 0 0 "[ . 1]" 1
234 2 7 A H1' 2 7 A H3' 3.071 2.610 3.992 3.849 3.839 3.858 . 0 0 "[ . 1]" 1
235 2 7 A H1' 2 7 A H4' 3.005 2.554 3.906 3.354 3.301 3.409 . 0 0 "[ . 1]" 1
236 2 7 A H1' 2 7 A H5' 4.552 3.869 5.918 4.520 4.483 4.559 . 0 0 "[ . 1]" 1
237 2 7 A H1' 2 7 A H8 3.431 2.916 4.460 3.722 3.717 3.727 . 0 0 "[ . 1]" 1
238 2 7 A H1' 2 8 C H6 3.842 3.266 4.995 4.959 4.878 5.009 0.014 5 0 "[ . 1]" 1
239 2 7 A H2 2 7 A H2' 3.546 3.014 4.610 4.736 4.710 4.762 0.152 9 0 "[ . 1]" 1
240 2 7 A H2 2 8 C H1' 3.087 2.624 4.013 3.761 3.497 4.007 . 0 0 "[ . 1]" 1
241 2 7 A H2' 2 7 A H8 3.176 2.700 4.129 4.003 3.970 4.023 . 0 0 "[ . 1]" 1
242 2 7 A H2' 2 8 C H5 3.277 2.786 4.260 3.216 3.129 3.341 . 0 0 "[ . 1]" 1
243 2 7 A H2' 2 8 C H6 2.280 . 2.964 2.164 2.087 2.220 . 0 0 "[ . 1]" 1
244 2 7 A H3' 2 8 C H5 3.161 2.687 4.109 3.116 2.992 3.228 . 0 0 "[ . 1]" 1
245 2 7 A H3' 2 8 C H6 2.860 2.431 3.718 3.250 3.133 3.330 . 0 0 "[ . 1]" 1
246 2 7 A H5' 2 7 A H8 2.882 2.450 3.747 3.504 3.264 3.763 0.016 5 0 "[ . 1]" 1
247 2 7 A H8 2 8 C H5 3.489 2.966 4.536 4.207 3.965 4.353 . 0 0 "[ . 1]" 1
248 2 7 A H8 2 8 C H6 4.138 3.517 5.379 5.380 5.270 5.416 0.037 7 0 "[ . 1]" 1
249 2 8 C H1' 2 8 C H2' 2.588 2.200 3.364 2.789 2.784 2.794 . 0 0 "[ . 1]" 1
250 2 8 C H1' 2 8 C H3' 3.231 2.746 4.200 3.867 3.863 3.869 . 0 0 "[ . 1]" 1
251 2 8 C H1' 2 8 C H4' 2.988 2.540 3.884 3.474 3.453 3.501 . 0 0 "[ . 1]" 1
252 2 8 C H1' 2 8 C H5' 3.573 3.037 4.645 4.587 4.566 4.636 . 0 0 "[ . 1]" 1
253 2 8 C H2' 2 8 C H6 2.960 2.516 3.848 3.574 3.555 3.608 . 0 0 "[ . 1]" 1
254 2 8 C H3' 2 8 C H5 3.390 2.882 4.407 4.333 4.295 4.359 . 0 0 "[ . 1]" 1
255 2 8 C H3' 2 8 C H6 2.370 2.015 3.081 2.363 2.316 2.399 . 0 0 "[ . 1]" 1
256 2 8 C H4' 2 8 C H5' 1.919 . 2.495 2.505 2.461 2.524 0.029 1 0 "[ . 1]" 1
257 2 8 C H4' 2 8 C H6 2.852 2.424 3.708 3.857 3.832 3.880 0.172 9 0 "[ . 1]" 1
258 2 8 C H5 2 8 C H5' 4.277 3.635 5.560 5.367 5.277 5.469 . 0 0 "[ . 1]" 1
259 2 8 C H5 2 8 C H6 2.369 2.014 3.080 2.443 2.442 2.445 . 0 0 "[ . 1]" 1
260 2 8 C H5' 2 8 C H6 3.059 2.600 3.977 3.229 3.163 3.307 . 0 0 "[ . 1]" 1
stop_
save_
Contact the webmaster for help, if required. Wednesday, May 29, 2024 8:52:59 AM GMT (wattos1)