NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
404371 |
1x26   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x26
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 304
_Distance_constraint_stats_list.Viol_count 2894
_Distance_constraint_stats_list.Viol_total 9893.771
_Distance_constraint_stats_list.Viol_max 0.579
_Distance_constraint_stats_list.Viol_rms 0.0721
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0362
_Distance_constraint_stats_list.Viol_average_violations_only 0.1140
_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 DC 14.248 0.143 11 0 "[ . 1 . 2 . 3]"
1 2 DT 19.773 0.181 1 0 "[ . 1 . 2 . 3]"
1 3 DA 5.383 0.119 30 0 "[ . 1 . 2 . 3]"
1 4 DA 13.669 0.212 22 0 "[ . 1 . 2 . 3]"
1 5 DC 1.127 0.105 7 0 "[ . 1 . 2 . 3]"
1 6 DA 18.010 0.579 21 1 "[ . 1 . 2+ . 3]"
1 7 DG 7.887 0.167 30 0 "[ . 1 . 2 . 3]"
1 8 DA 5.251 0.163 23 0 "[ . 1 . 2 . 3]"
1 9 DA 19.660 0.279 10 0 "[ . 1 . 2 . 3]"
1 10 DT 25.045 0.375 2 0 "[ . 1 . 2 . 3]"
1 11 DG 5.168 0.185 16 0 "[ . 1 . 2 . 3]"
2 1 DC 11.662 0.331 28 0 "[ . 1 . 2 . 3]"
2 2 DA 7.613 0.187 24 0 "[ . 1 . 2 . 3]"
2 3 DT 30.995 0.274 16 0 "[ . 1 . 2 . 3]"
2 4 DT 37.571 0.383 16 0 "[ . 1 . 2 . 3]"
2 5 DC 3.575 0.161 2 0 "[ . 1 . 2 . 3]"
2 6 DA 24.727 0.265 19 0 "[ . 1 . 2 . 3]"
2 7 DG 22.793 0.264 16 0 "[ . 1 . 2 . 3]"
2 8 DT 24.542 0.313 26 0 "[ . 1 . 2 . 3]"
2 9 DT 21.422 0.313 26 0 "[ . 1 . 2 . 3]"
2 10 DA 16.699 0.293 19 0 "[ . 1 . 2 . 3]"
2 11 DG 19.533 0.293 19 0 "[ . 1 . 2 . 3]"
3 1 NAZ 99.721 0.579 21 1 "[ . 1 . 2+ . 3]"
4 1 NAZ 73.432 0.388 28 0 "[ . 1 . 2 . 3]"
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 DC H1' 1 1 DC H6 3.769 2.482 3.769 3.696 3.684 3.700 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 1 DC H1' 1 1 DC H2' 2.925 2.169 2.925 2.953 2.951 2.956 0.031 14 0 "[ . 1 . 2 . 3]" 1
3 1 1 DC H2' 1 1 DC H6 3.578 2.325 3.578 2.518 2.498 2.565 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 1 DC H2'' 1 1 DC H6 3.780 2.313 3.780 3.897 3.886 3.923 0.143 11 0 "[ . 1 . 2 . 3]" 1
5 1 1 DC H3' 1 1 DC H6 3.387 2.306 3.387 3.483 3.466 3.522 0.135 19 0 "[ . 1 . 2 . 3]" 1
6 1 1 DC H2'' 1 1 DC H3' 3.036 . 3.036 2.809 2.807 2.813 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 1 DC H1' 1 2 DT H6 4.304 2.897 4.304 3.955 3.913 4.058 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 1 DC H2' 1 2 DT H6 3.169 2.064 3.169 2.558 2.464 2.667 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 1 DC H2'' 1 2 DT H6 3.551 2.137 3.551 2.019 2.004 2.057 0.133 23 0 "[ . 1 . 2 . 3]" 1
10 1 1 DC H3' 1 2 DT H6 3.756 2.356 3.756 3.872 3.823 3.894 0.138 27 0 "[ . 1 . 2 . 3]" 1
11 1 2 DT H1' 1 2 DT H6 4.106 2.729 4.106 3.732 3.728 3.736 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 1 DC H41 1 2 DT H3 4.068 . 4.068 3.516 3.450 3.602 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 2 DT H1' 1 2 DT H2' 2.880 . 2.880 3.021 3.016 3.023 0.143 1 0 "[ . 1 . 2 . 3]" 1
14 1 2 DT H2' 1 2 DT H6 3.630 2.162 3.630 2.119 2.110 2.137 0.052 28 0 "[ . 1 . 2 . 3]" 1
15 1 2 DT H2'' 1 2 DT H6 5.453 3.436 5.453 3.579 3.561 3.613 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 2 DT H3' 1 2 DT H6 3.835 2.456 3.835 3.990 3.939 4.016 0.181 1 0 "[ . 1 . 2 . 3]" 1
17 1 2 DT H2'' 1 2 DT H3' 3.932 . 3.932 2.727 2.723 2.735 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 2 DT H3 1 3 DA H2 4.509 2.197 4.509 4.582 4.551 4.620 0.111 1 0 "[ . 1 . 2 . 3]" 1
19 1 2 DT H2' 1 3 DA H8 3.559 2.700 3.559 3.416 3.380 3.465 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 2 DT H2'' 1 3 DA H8 4.601 . 4.601 1.789 1.765 1.831 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 3 DA H2'' 1 3 DA H8 3.106 . 4.906 3.994 3.941 4.047 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 3 DA H1' 1 4 DA H8 3.016 2.247 3.016 2.956 2.854 3.068 0.052 11 0 "[ . 1 . 2 . 3]" 1
23 1 3 DA H2'' 1 4 DA H8 4.952 . 6.752 1.788 1.758 1.834 0.049 10 0 "[ . 1 . 2 . 3]" 1
24 1 4 DA H1' 1 4 DA H2' 3.275 2.304 3.275 3.013 2.999 3.030 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 4 DA H2' 1 4 DA H8 3.169 2.067 3.169 2.460 2.371 2.509 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 4 DA H2'' 1 4 DA H3' 3.437 2.313 3.437 2.746 2.717 2.764 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 5 DC H1' 1 5 DC H2' 2.949 2.057 2.949 2.880 2.724 3.054 0.105 7 0 "[ . 1 . 2 . 3]" 1
28 1 6 DA H1' 1 6 DA H8 3.916 2.409 3.916 3.892 3.872 3.900 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 6 DA H1' 1 6 DA H2' 3.567 2.168 3.567 3.040 2.996 3.056 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 6 DA H2' 1 6 DA H8 3.723 2.019 3.723 2.540 2.346 2.829 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 6 DA H1' 1 7 DG H8 5.015 3.140 5.015 3.327 3.081 4.289 0.059 11 0 "[ . 1 . 2 . 3]" 1
32 1 6 DA H2' 1 7 DG H8 3.392 2.029 3.392 3.480 2.986 3.559 0.167 30 0 "[ . 1 . 2 . 3]" 1
33 1 7 DG H1' 1 7 DG H8 3.488 2.507 3.988 3.864 3.856 3.871 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 7 DG H1' 1 7 DG H2' 3.389 2.216 3.389 2.998 2.995 3.001 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 7 DG H2' 1 7 DG H8 4.142 2.351 4.142 2.535 2.338 2.639 0.013 26 0 "[ . 1 . 2 . 3]" 1
36 1 7 DG H2'' 1 7 DG H8 4.419 2.946 4.419 4.002 3.854 4.077 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 7 DG H2'' 1 7 DG H3' 4.055 2.536 4.055 2.781 2.774 2.787 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 7 DG H22 1 8 DA H1' 4.973 . 6.673 4.643 4.496 4.864 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 7 DG H22 1 8 DA H2 4.157 . 5.857 4.014 3.935 4.106 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 7 DG H1' 1 8 DA H8 3.968 2.506 3.968 2.591 2.472 2.694 0.034 26 0 "[ . 1 . 2 . 3]" 1
41 1 7 DG H22 1 8 DA H8 3.868 . 5.568 4.714 4.608 4.899 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 7 DG H2' 1 8 DA H8 4.577 3.022 4.577 3.354 3.256 3.466 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 7 DG H2'' 1 8 DA H8 3.432 . 3.432 1.820 1.739 1.912 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 8 DA H1' 1 8 DA H2' 3.298 2.299 3.298 3.040 3.037 3.044 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 8 DA H2' 1 8 DA H8 3.424 2.493 3.424 2.589 2.530 2.624 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 8 DA H2'' 1 8 DA H8 4.013 2.490 4.013 3.994 3.945 4.023 0.010 9 0 "[ . 1 . 2 . 3]" 1
47 1 8 DA H2'' 1 8 DA H3' 3.964 2.364 3.964 2.712 2.698 2.721 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 8 DA H2 1 9 DA H2 3.998 2.608 3.998 3.575 3.504 3.638 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 9 DA H1' 1 9 DA H2 4.454 2.750 4.454 4.466 4.445 4.506 0.052 11 0 "[ . 1 . 2 . 3]" 1
50 1 8 DA H1' 1 9 DA H8 3.891 2.921 3.891 2.932 2.912 2.998 0.009 21 0 "[ . 1 . 2 . 3]" 1
51 1 8 DA H2' 1 9 DA H8 4.574 2.777 4.574 3.302 3.239 3.343 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 8 DA H2'' 1 9 DA H8 3.261 . 3.261 1.739 1.702 1.766 0.077 11 0 "[ . 1 . 2 . 3]" 1
53 1 9 DA H1' 1 9 DA H8 3.179 2.166 4.179 3.869 3.848 3.877 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 9 DA H1' 1 9 DA H2' 2.719 . 2.719 2.993 2.990 2.998 0.279 10 0 "[ . 1 . 2 . 3]" 1
55 1 9 DA H2' 1 9 DA H8 3.775 2.390 3.775 2.534 2.414 2.582 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 9 DA H2'' 1 9 DA H8 3.456 2.014 3.956 3.967 3.883 3.999 0.043 27 0 "[ . 1 . 2 . 3]" 1
57 1 9 DA H2'' 1 9 DA H3' 3.535 2.119 3.535 2.743 2.735 2.749 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 9 DA H2 1 10 DT H1' 4.490 3.026 4.490 4.033 3.909 4.196 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 9 DA H1' 1 10 DT H6 3.090 2.164 3.090 3.121 3.107 3.142 0.052 26 0 "[ . 1 . 2 . 3]" 1
60 1 9 DA H2' 1 10 DT H6 3.926 2.102 3.926 3.764 3.657 3.808 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 9 DA H2'' 1 10 DT H6 3.987 2.197 3.987 2.133 2.070 2.161 0.127 11 0 "[ . 1 . 2 . 3]" 1
62 1 9 DA H3' 1 10 DT H6 4.465 2.720 4.465 4.677 4.645 4.692 0.227 13 0 "[ . 1 . 2 . 3]" 1
63 1 10 DT H1' 1 10 DT H6 5.656 3.162 5.656 3.713 3.702 3.719 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 9 DA H2 1 10 DT H3 5.659 . 5.659 2.922 2.873 2.989 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 10 DT H2' 1 10 DT H6 2.882 . 2.882 2.253 2.202 2.285 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 10 DT H2'' 1 10 DT H6 5.028 . 5.028 3.736 3.693 3.758 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 10 DT H3' 1 10 DT H6 3.247 . 3.247 3.602 3.585 3.622 0.375 2 0 "[ . 1 . 2 . 3]" 1
68 1 10 DT H2'' 1 10 DT H3' 3.988 . 3.988 2.782 2.778 2.785 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 10 DT H1' 1 11 DG H8 5.269 3.688 5.269 3.516 3.503 3.530 0.185 16 0 "[ . 1 . 2 . 3]" 1
70 1 10 DT H2' 1 11 DG H8 3.932 . 3.932 3.483 3.415 3.551 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 10 DT H2'' 1 11 DG H8 4.130 . 4.130 1.938 1.910 1.974 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 11 DG H1' 1 11 DG H2' 4.575 2.275 4.575 2.995 2.992 3.000 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 11 DG H2'' 1 11 DG H8 4.492 3.281 4.492 4.113 4.102 4.126 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 11 DG H3' 1 11 DG H8 4.203 2.714 4.203 4.132 4.095 4.185 . 0 0 "[ . 1 . 2 . 3]" 1
75 2 1 DC H1' 2 1 DC H2' 2.997 2.035 2.997 2.962 2.958 2.966 . 0 0 "[ . 1 . 2 . 3]" 1
76 2 1 DC H2' 2 1 DC H6 3.444 2.142 3.444 2.469 2.457 2.491 . 0 0 "[ . 1 . 2 . 3]" 1
77 2 1 DC H2'' 2 1 DC H6 3.529 2.471 3.529 3.846 3.839 3.860 0.331 28 0 "[ . 1 . 2 . 3]" 1
78 2 1 DC H3' 2 1 DC H6 4.952 3.287 4.952 3.576 3.549 3.603 . 0 0 "[ . 1 . 2 . 3]" 1
79 2 1 DC H2'' 2 1 DC H3' 4.444 2.439 4.444 2.816 2.812 2.820 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 9 DA H2 2 2 DA H2 4.244 3.338 4.244 3.946 3.887 4.015 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 10 DT H3 2 2 DA H2 4.543 . 4.543 2.745 2.681 2.890 . 0 0 "[ . 1 . 2 . 3]" 1
82 2 2 DA H1' 2 2 DA H2 4.006 2.523 4.506 4.510 4.501 4.521 0.015 11 0 "[ . 1 . 2 . 3]" 1
83 2 1 DC H1' 2 2 DA H8 4.581 3.057 4.581 3.824 3.765 3.860 . 0 0 "[ . 1 . 2 . 3]" 1
84 2 1 DC H2' 2 2 DA H8 4.168 2.776 4.168 2.900 2.806 2.971 . 0 0 "[ . 1 . 2 . 3]" 1
85 2 1 DC H2'' 2 2 DA H8 3.070 2.020 3.070 1.952 1.929 1.964 0.091 11 0 "[ . 1 . 2 . 3]" 1
86 2 1 DC H3' 2 2 DA H8 4.021 . 4.021 4.012 3.961 4.044 0.023 11 0 "[ . 1 . 2 . 3]" 1
87 2 2 DA H1' 2 2 DA H2' 3.472 2.337 3.472 3.030 3.026 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
88 2 2 DA H2'' 2 2 DA H8 5.004 3.379 5.004 3.771 3.749 3.785 . 0 0 "[ . 1 . 2 . 3]" 1
89 2 2 DA H3' 2 2 DA H8 4.281 2.833 4.281 4.202 4.168 4.233 . 0 0 "[ . 1 . 2 . 3]" 1
90 2 2 DA H2'' 2 2 DA H3' 3.253 2.422 3.253 2.728 2.718 2.734 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 9 DA H2 2 3 DT H1' 4.949 2.957 4.949 4.831 4.790 4.866 . 0 0 "[ . 1 . 2 . 3]" 1
92 2 2 DA H2 2 3 DT H1' 3.174 2.156 3.174 3.160 3.079 3.249 0.075 11 0 "[ . 1 . 2 . 3]" 1
93 2 2 DA H1' 2 3 DT H6 3.387 2.060 3.387 2.507 2.467 2.579 . 0 0 "[ . 1 . 2 . 3]" 1
94 2 2 DA H8 2 3 DT H6 4.058 2.368 4.558 4.727 4.709 4.745 0.187 24 0 "[ . 1 . 2 . 3]" 1
95 2 2 DA H2'' 2 3 DT H6 3.323 . 3.323 1.718 1.695 1.736 . 0 0 "[ . 1 . 2 . 3]" 1
96 2 3 DT H1' 2 3 DT H6 3.634 2.452 3.634 3.722 3.716 3.733 0.099 11 0 "[ . 1 . 2 . 3]" 1
97 1 8 DA H2 2 3 DT H3 4.835 . 4.835 4.813 4.705 4.864 0.029 10 0 "[ . 1 . 2 . 3]" 1
98 1 9 DA H2 2 3 DT H3 3.946 . 3.946 2.698 2.635 2.744 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 9 DA H61 2 3 DT H3 3.523 . 3.523 2.408 2.339 2.517 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 10 DT H3 2 3 DT H3 5.206 2.813 5.206 3.377 3.307 3.450 . 0 0 "[ . 1 . 2 . 3]" 1
101 2 2 DA H2 2 3 DT H3 4.600 2.052 4.600 3.617 3.548 3.697 . 0 0 "[ . 1 . 2 . 3]" 1
102 2 3 DT H1' 2 3 DT H3 4.392 2.308 4.392 4.410 4.401 4.415 0.023 27 0 "[ . 1 . 2 . 3]" 1
103 2 3 DT H1' 2 3 DT H2' 3.145 . 3.145 3.031 3.026 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
104 2 3 DT H2' 2 3 DT H6 5.512 2.658 5.512 2.526 2.490 2.541 0.168 11 0 "[ . 1 . 2 . 3]" 1
105 2 3 DT H3' 2 3 DT H6 4.041 2.255 4.041 4.175 4.115 4.196 0.155 26 0 "[ . 1 . 2 . 3]" 1
106 2 3 DT H2'' 2 3 DT H3' 3.282 2.039 3.282 2.705 2.698 2.721 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 9 DA H2 2 4 DT H1' 4.229 2.515 4.229 3.892 3.721 4.138 . 0 0 "[ . 1 . 2 . 3]" 1
108 2 3 DT H1' 2 4 DT H6 3.610 2.239 3.610 3.496 3.389 3.635 0.025 11 0 "[ . 1 . 2 . 3]" 1
109 2 3 DT H2' 2 4 DT H6 4.071 2.671 4.071 3.366 3.334 3.392 . 0 0 "[ . 1 . 2 . 3]" 1
110 2 3 DT H2'' 2 4 DT H6 3.056 . 3.056 1.908 1.886 1.938 . 0 0 "[ . 1 . 2 . 3]" 1
111 2 3 DT H3' 2 4 DT H6 4.128 2.631 4.128 4.378 4.346 4.402 0.274 16 0 "[ . 1 . 2 . 3]" 1
112 2 4 DT H1' 2 4 DT H6 4.258 2.468 4.258 3.701 3.692 3.707 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 7 DG H1 2 4 DT H3 5.877 2.983 5.877 4.168 3.994 4.289 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 8 DA H2 2 4 DT H3 6.119 3.186 6.119 3.063 3.023 3.125 0.163 23 0 "[ . 1 . 2 . 3]" 1
115 1 9 DA H2 2 4 DT H3 5.090 2.832 5.090 3.114 3.004 3.275 . 0 0 "[ . 1 . 2 . 3]" 1
116 2 3 DT H3 2 4 DT H3 6.240 2.812 6.240 2.785 2.757 2.815 0.055 9 0 "[ . 1 . 2 . 3]" 1
117 2 3 DT H2'' 2 4 DT H2' 5.123 3.920 5.123 3.721 3.702 3.755 0.218 19 0 "[ . 1 . 2 . 3]" 1
118 2 4 DT H2' 2 4 DT H6 3.666 . 3.666 1.998 1.971 2.017 . 0 0 "[ . 1 . 2 . 3]" 1
119 2 4 DT H2'' 2 4 DT H6 3.079 2.157 3.079 3.440 3.420 3.462 0.383 16 0 "[ . 1 . 2 . 3]" 1
120 2 4 DT H3' 2 4 DT H6 3.828 2.311 3.828 4.010 3.954 4.063 0.235 29 0 "[ . 1 . 2 . 3]" 1
121 2 5 DC H1' 2 5 DC H2' 3.493 2.062 3.493 2.954 2.727 3.056 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 6 DA H61 2 6 DA H62 3.369 . 3.369 3.303 3.171 3.401 0.032 12 0 "[ . 1 . 2 . 3]" 1
123 1 6 DA H62 2 6 DA H62 3.368 . 3.368 3.454 3.407 3.498 0.130 24 0 "[ . 1 . 2 . 3]" 1
124 1 6 DA H61 2 6 DA H61 3.238 . 3.238 3.046 2.946 3.165 . 0 0 "[ . 1 . 2 . 3]" 1
125 2 6 DA H1' 2 6 DA H2' 3.355 2.164 3.355 3.054 3.047 3.057 . 0 0 "[ . 1 . 2 . 3]" 1
126 2 6 DA H2' 2 6 DA H8 3.201 . 3.201 2.577 2.427 2.814 . 0 0 "[ . 1 . 2 . 3]" 1
127 2 6 DA H2'' 2 6 DA H8 4.663 2.864 4.663 3.963 3.820 4.146 . 0 0 "[ . 1 . 2 . 3]" 1
128 2 6 DA H2'' 2 6 DA H3' 4.963 2.771 4.963 2.683 2.673 2.695 0.098 30 0 "[ . 1 . 2 . 3]" 1
129 1 4 DA H2 2 7 DG H1 3.657 . 4.157 4.322 4.298 4.357 0.200 18 0 "[ . 1 . 2 . 3]" 1
130 1 4 DA H62 2 7 DG H1 4.972 2.200 4.972 3.807 3.559 3.931 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 4 DA H61 2 7 DG H1 3.204 . 3.204 3.172 2.969 3.261 0.057 11 0 "[ . 1 . 2 . 3]" 1
132 2 6 DA H1' 2 7 DG H8 3.772 2.586 3.772 3.462 3.309 3.745 . 0 0 "[ . 1 . 2 . 3]" 1
133 2 7 DG H1' 2 7 DG H8 3.373 2.270 3.873 3.839 3.834 3.844 . 0 0 "[ . 1 . 2 . 3]" 1
134 2 7 DG H1' 2 7 DG H2' 4.311 3.114 4.311 3.005 3.002 3.007 0.112 4 0 "[ . 1 . 2 . 3]" 1
135 2 7 DG H2' 2 7 DG H8 3.325 2.021 3.325 2.335 2.290 2.385 . 0 0 "[ . 1 . 2 . 3]" 1
136 2 7 DG H2'' 2 7 DG H8 3.339 2.197 3.839 3.854 3.822 3.887 0.048 11 0 "[ . 1 . 2 . 3]" 1
137 2 7 DG H3' 2 7 DG H8 4.417 2.997 4.417 3.786 3.750 3.819 . 0 0 "[ . 1 . 2 . 3]" 1
138 2 7 DG H2'' 2 7 DG H3' 4.335 2.206 4.335 2.767 2.759 2.775 . 0 0 "[ . 1 . 2 . 3]" 1
139 2 7 DG H1' 2 8 DT H6 2.845 . 2.845 2.903 2.883 2.920 0.075 19 0 "[ . 1 . 2 . 3]" 1
140 2 7 DG H2' 2 8 DT H6 3.536 2.476 3.536 3.379 3.302 3.503 . 0 0 "[ . 1 . 2 . 3]" 1
141 2 7 DG H2'' 2 8 DT H6 4.300 . 4.300 1.917 1.888 1.968 . 0 0 "[ . 1 . 2 . 3]" 1
142 2 8 DT H1' 2 8 DT H6 4.062 2.992 4.062 3.694 3.686 3.699 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 3 DA H2 2 8 DT H3 5.286 2.882 5.286 4.579 4.380 4.799 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 4 DA H2 2 8 DT H3 4.629 . 4.629 2.535 2.489 2.586 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 4 DA H62 2 8 DT H3 4.388 . 4.388 4.134 4.025 4.193 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 4 DA H61 2 8 DT H3 4.776 2.467 4.776 2.700 2.588 2.760 . 0 0 "[ . 1 . 2 . 3]" 1
147 2 8 DT H1' 2 8 DT H2' 3.289 2.036 3.289 3.026 3.023 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
148 2 8 DT H2' 2 8 DT H6 3.796 . 3.796 2.028 1.991 2.070 . 0 0 "[ . 1 . 2 . 3]" 1
149 2 8 DT H2'' 2 8 DT H6 3.419 2.422 3.419 3.526 3.494 3.566 0.147 11 0 "[ . 1 . 2 . 3]" 1
150 2 8 DT H3' 2 8 DT H6 3.658 2.104 3.658 3.799 3.771 3.821 0.163 17 0 "[ . 1 . 2 . 3]" 1
151 2 8 DT H2'' 2 8 DT H3' 3.681 2.481 3.681 2.717 2.711 2.723 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 4 DA H2 2 9 DT H1' 4.907 3.072 4.907 4.182 3.954 4.438 . 0 0 "[ . 1 . 2 . 3]" 1
153 2 8 DT H2' 2 9 DT H6 4.480 2.672 4.480 3.237 3.189 3.288 . 0 0 "[ . 1 . 2 . 3]" 1
154 2 8 DT H2'' 2 9 DT H6 5.270 . 5.270 1.785 1.761 1.808 . 0 0 "[ . 1 . 2 . 3]" 1
155 2 8 DT H3' 2 9 DT H6 3.988 3.049 3.988 4.260 4.234 4.301 0.313 26 0 "[ . 1 . 2 . 3]" 1
156 2 9 DT H1' 2 9 DT H6 5.367 3.726 5.367 3.732 3.729 3.736 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 2 DT H3 2 9 DT H3 4.053 . 4.053 4.058 3.983 4.119 0.066 26 0 "[ . 1 . 2 . 3]" 1
158 1 3 DA H2 2 9 DT H3 3.715 . 3.715 2.699 2.638 2.761 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 4 DA H2 2 9 DT H3 4.459 . 4.459 3.163 2.891 3.436 . 0 0 "[ . 1 . 2 . 3]" 1
160 2 8 DT H3 2 9 DT H3 5.449 2.798 5.449 3.198 3.116 3.297 . 0 0 "[ . 1 . 2 . 3]" 1
161 2 9 DT H1' 2 9 DT H2' 3.374 2.183 3.374 3.046 3.044 3.048 . 0 0 "[ . 1 . 2 . 3]" 1
162 2 9 DT H2' 2 9 DT H6 3.091 2.042 3.091 2.074 2.039 2.135 0.003 27 0 "[ . 1 . 2 . 3]" 1
163 2 9 DT H2'' 2 9 DT H6 3.371 2.078 3.371 3.508 3.470 3.567 0.196 26 0 "[ . 1 . 2 . 3]" 1
164 2 9 DT H3' 2 9 DT H6 4.172 2.880 4.172 4.074 4.055 4.097 . 0 0 "[ . 1 . 2 . 3]" 1
165 2 9 DT H2'' 2 9 DT H3' 4.513 2.791 4.513 2.711 2.708 2.715 0.083 14 0 "[ . 1 . 2 . 3]" 1
166 1 3 DA H2 2 10 DA H1' 3.312 2.018 3.312 3.395 3.363 3.431 0.119 30 0 "[ . 1 . 2 . 3]" 1
167 1 2 DT H3 2 10 DA H2 3.720 . 3.720 2.511 2.468 2.624 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 3 DA H2 2 10 DA H2 3.806 . 3.806 3.115 3.015 3.185 . 0 0 "[ . 1 . 2 . 3]" 1
169 2 9 DT H3 2 10 DA H2 3.586 . 4.086 4.193 4.156 4.210 0.124 28 0 "[ . 1 . 2 . 3]" 1
170 2 9 DT H2'' 2 10 DA H8 4.340 2.126 4.340 2.020 2.007 2.037 0.119 14 0 "[ . 1 . 2 . 3]" 1
171 2 10 DA H1' 2 10 DA H2' 3.127 . 3.127 2.982 2.976 2.987 . 0 0 "[ . 1 . 2 . 3]" 1
172 2 10 DA H2' 2 10 DA H8 5.041 2.472 5.041 2.876 2.829 2.897 . 0 0 "[ . 1 . 2 . 3]" 1
173 2 10 DA H2'' 2 10 DA H8 4.303 2.919 4.303 4.223 4.197 4.237 . 0 0 "[ . 1 . 2 . 3]" 1
174 2 10 DA H3' 2 10 DA H8 3.559 2.069 4.059 4.055 4.014 4.102 0.043 9 0 "[ . 1 . 2 . 3]" 1
175 2 10 DA H2'' 2 10 DA H3' 3.031 . 3.031 2.796 2.782 2.803 . 0 0 "[ . 1 . 2 . 3]" 1
176 2 10 DA H2' 2 11 DG H8 2.932 2.100 2.932 3.188 3.156 3.225 0.293 19 0 "[ . 1 . 2 . 3]" 1
177 2 10 DA H2'' 2 11 DG H8 4.130 . 4.130 1.666 1.637 1.689 . 0 0 "[ . 1 . 2 . 3]" 1
178 2 11 DG H1' 2 11 DG H8 3.636 2.310 3.636 3.848 3.844 3.853 0.217 16 0 "[ . 1 . 2 . 3]" 1
179 2 11 DG H1' 2 11 DG H2' 3.937 2.530 3.937 3.002 2.999 3.009 . 0 0 "[ . 1 . 2 . 3]" 1
180 2 11 DG H2' 2 11 DG H8 4.808 2.087 4.808 2.728 2.684 2.780 . 0 0 "[ . 1 . 2 . 3]" 1
181 2 11 DG H2'' 2 11 DG H8 3.717 2.281 4.217 4.131 4.097 4.167 . 0 0 "[ . 1 . 2 . 3]" 1
182 2 11 DG H3' 2 11 DG H8 4.394 2.646 4.394 4.172 4.140 4.246 . 0 0 "[ . 1 . 2 . 3]" 1
183 2 11 DG H2'' 2 11 DG H3' 4.310 2.983 4.310 2.800 2.790 2.804 0.193 9 0 "[ . 1 . 2 . 3]" 1
184 1 6 DA H2 3 1 NAZ H35 3.843 . 3.843 3.388 3.181 3.576 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 6 DA H61 3 1 NAZ H35 4.299 . 4.299 2.152 1.982 2.291 . 0 0 "[ . 1 . 2 . 3]" 1
186 2 6 DA H2 3 1 NAZ H35 3.660 . 3.660 3.724 3.670 3.778 0.118 22 0 "[ . 1 . 2 . 3]" 1
187 2 6 DA H62 3 1 NAZ H35 4.253 . 4.253 4.417 4.324 4.504 0.251 25 0 "[ . 1 . 2 . 3]" 1
188 1 6 DA H61 3 1 NAZ H36 2.921 . 2.921 3.238 3.054 3.500 0.579 21 1 "[ . 1 . 2+ . 3]" 1
189 1 6 DA H61 3 1 NAZ H37 3.872 . 3.872 3.472 3.292 3.584 . 0 0 "[ . 1 . 2 . 3]" 1
190 3 1 NAZ H38 3 1 NAZ H40 3.611 . 3.611 2.760 2.669 2.834 . 0 0 "[ . 1 . 2 . 3]" 1
191 3 1 NAZ H39 3 1 NAZ H40 4.291 . 4.291 2.608 2.289 2.869 . 0 0 "[ . 1 . 2 . 3]" 1
192 3 1 NAZ H40 3 1 NAZ H41 2.899 . 2.899 2.605 2.374 2.914 0.015 29 0 "[ . 1 . 2 . 3]" 1
193 3 1 NAZ H38 3 1 NAZ H42 3.525 2.381 3.525 2.791 2.667 2.975 . 0 0 "[ . 1 . 2 . 3]" 1
194 3 1 NAZ H40 3 1 NAZ H42 3.696 . 3.696 2.798 2.576 2.926 . 0 0 "[ . 1 . 2 . 3]" 1
195 2 7 DG H1 3 1 NAZ H43 4.128 . 4.128 4.234 4.034 4.332 0.204 30 0 "[ . 1 . 2 . 3]" 1
196 3 1 NAZ H41 3 1 NAZ H43 4.982 2.013 4.982 2.872 2.771 2.915 . 0 0 "[ . 1 . 2 . 3]" 1
197 3 1 NAZ H42 3 1 NAZ H43 3.440 . 3.440 2.497 2.309 2.742 . 0 0 "[ . 1 . 2 . 3]" 1
198 2 7 DG H1 3 1 NAZ H44 3.774 . 3.774 3.933 3.869 4.038 0.264 16 0 "[ . 1 . 2 . 3]" 1
199 3 1 NAZ H42 3 1 NAZ H44 4.035 2.463 4.035 2.400 2.278 2.548 0.185 10 0 "[ . 1 . 2 . 3]" 1
200 2 6 DA H61 3 1 NAZ H45 3.629 . 3.629 3.805 3.769 3.845 0.216 11 0 "[ . 1 . 2 . 3]" 1
201 3 1 NAZ H43 3 1 NAZ H45 4.388 2.783 4.388 4.505 4.457 4.551 0.163 8 0 "[ . 1 . 2 . 3]" 1
202 3 1 NAZ H44 3 1 NAZ H45 4.787 3.135 4.787 4.555 4.483 4.606 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 4 DA H8 3 1 NAZ H46 3.824 2.259 3.824 3.781 3.549 3.903 0.079 11 0 "[ . 1 . 2 . 3]" 1
204 1 4 DA H2' 3 1 NAZ H46 3.752 2.287 3.752 2.262 2.209 2.359 0.078 3 0 "[ . 1 . 2 . 3]" 1
205 1 4 DA H2'' 3 1 NAZ H46 3.634 2.255 3.634 2.428 2.242 2.634 0.013 17 0 "[ . 1 . 2 . 3]" 1
206 1 4 DA H1' 3 1 NAZ H47 3.566 . 3.566 3.736 3.640 3.778 0.212 22 0 "[ . 1 . 2 . 3]" 1
207 1 4 DA H2'' 3 1 NAZ H47 4.144 2.330 4.144 3.835 3.693 3.999 . 0 0 "[ . 1 . 2 . 3]" 1
208 2 7 DG H21 3 1 NAZ H47 3.941 . 5.641 5.252 5.224 5.284 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 4 DA H1' 3 1 NAZ H48 2.969 2.044 2.969 3.008 2.890 3.069 0.100 18 0 "[ . 1 . 2 . 3]" 1
210 1 4 DA H2' 3 1 NAZ H48 4.941 2.969 4.941 3.281 3.099 3.454 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 4 DA H2'' 3 1 NAZ H48 4.025 . 4.025 1.873 1.768 1.973 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 4 DA H62 3 1 NAZ H49 4.716 . 4.716 2.977 2.792 3.291 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 4 DA H61 3 1 NAZ H49 4.615 2.242 4.615 3.073 2.843 3.309 . 0 0 "[ . 1 . 2 . 3]" 1
214 2 7 DG H21 3 1 NAZ H49 3.588 . 5.288 3.661 3.599 3.700 . 0 0 "[ . 1 . 2 . 3]" 1
215 2 7 DG H1 3 1 NAZ H49 3.408 . 3.408 1.655 1.613 1.697 . 0 0 "[ . 1 . 2 . 3]" 1
216 2 8 DT H3 3 1 NAZ H49 3.859 . 3.859 4.099 4.066 4.156 0.297 11 0 "[ . 1 . 2 . 3]" 1
217 3 1 NAZ H41 3 1 NAZ H49 4.513 . 4.513 4.324 4.246 4.435 . 0 0 "[ . 1 . 2 . 3]" 1
218 3 1 NAZ H43 3 1 NAZ H49 3.822 . 3.822 2.849 2.722 2.920 . 0 0 "[ . 1 . 2 . 3]" 1
219 3 1 NAZ H44 3 1 NAZ H49 4.455 . 4.455 2.388 2.336 2.485 . 0 0 "[ . 1 . 2 . 3]" 1
220 3 1 NAZ H45 3 1 NAZ H49 5.024 . 5.024 3.632 3.610 3.653 . 0 0 "[ . 1 . 2 . 3]" 1
221 3 1 NAZ H36 3 1 NAZ H53 3.845 2.677 5.645 4.405 4.332 4.506 . 0 0 "[ . 1 . 2 . 3]" 1
222 3 1 NAZ H37 3 1 NAZ H53 4.176 2.567 5.976 4.377 4.310 4.460 . 0 0 "[ . 1 . 2 . 3]" 1
223 3 1 NAZ H38 3 1 NAZ H53 3.044 2.258 4.844 2.420 2.322 2.579 . 0 0 "[ . 1 . 2 . 3]" 1
224 3 1 NAZ H39 3 1 NAZ H53 4.148 2.436 5.948 2.433 2.320 2.522 0.116 27 0 "[ . 1 . 2 . 3]" 1
225 3 1 NAZ H41 3 1 NAZ H53 4.845 2.981 6.645 4.660 3.534 5.315 . 0 0 "[ . 1 . 2 . 3]" 1
226 3 1 NAZ H36 3 1 NAZ H55 4.269 . 4.269 2.901 2.886 2.909 . 0 0 "[ . 1 . 2 . 3]" 1
227 3 1 NAZ H37 3 1 NAZ H55 4.211 . 4.211 2.464 2.426 2.556 . 0 0 "[ . 1 . 2 . 3]" 1
228 3 1 NAZ H38 3 1 NAZ H55 3.702 . 3.702 3.815 3.714 3.932 0.230 11 0 "[ . 1 . 2 . 3]" 1
229 3 1 NAZ H39 3 1 NAZ H55 3.503 . 3.503 2.615 2.353 2.918 . 0 0 "[ . 1 . 2 . 3]" 1
230 3 1 NAZ H53 3 1 NAZ H55 3.192 . 4.992 2.581 2.398 2.808 . 0 0 "[ . 1 . 2 . 3]" 1
231 2 5 DC H2' 3 1 NAZ H58 3.342 . 3.342 3.226 2.713 3.420 0.078 16 0 "[ . 1 . 2 . 3]" 1
232 2 5 DC H2'' 3 1 NAZ H58 2.839 . 2.839 2.350 1.876 3.000 0.161 2 0 "[ . 1 . 2 . 3]" 1
233 3 1 NAZ H37 3 1 NAZ H58 3.499 2.078 3.499 3.156 3.106 3.234 . 0 0 "[ . 1 . 2 . 3]" 1
234 3 1 NAZ H53 3 1 NAZ H58 4.656 2.921 6.456 4.440 4.162 4.694 . 0 0 "[ . 1 . 2 . 3]" 1
235 3 1 NAZ H55 3 1 NAZ H58 4.460 2.042 4.460 2.070 1.953 2.190 0.089 22 0 "[ . 1 . 2 . 3]" 1
236 2 5 DC H1' 3 1 NAZ H59 3.601 2.018 3.601 3.554 2.647 3.693 0.092 6 0 "[ . 1 . 2 . 3]" 1
237 3 1 NAZ H55 3 1 NAZ H59 4.608 . 4.608 4.442 4.321 4.561 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 6 DA H2 4 1 NAZ H35 3.481 . 3.981 4.055 4.007 4.092 0.111 27 0 "[ . 1 . 2 . 3]" 1
239 1 6 DA H61 4 1 NAZ H35 4.023 . 4.023 3.578 3.460 3.760 . 0 0 "[ . 1 . 2 . 3]" 1
240 2 6 DA H2 4 1 NAZ H35 4.001 . 4.001 3.382 3.298 3.445 . 0 0 "[ . 1 . 2 . 3]" 1
241 2 6 DA H62 4 1 NAZ H35 3.741 . 3.741 3.840 3.807 3.867 0.126 11 0 "[ . 1 . 2 . 3]" 1
242 2 6 DA H61 4 1 NAZ H35 3.353 . 3.353 2.236 2.206 2.275 . 0 0 "[ . 1 . 2 . 3]" 1
243 2 7 DG H1 4 1 NAZ H35 4.018 . 4.018 4.148 4.112 4.193 0.175 4 0 "[ . 1 . 2 . 3]" 1
244 2 6 DA H62 4 1 NAZ H36 3.227 . 3.227 3.181 3.070 3.247 0.020 29 0 "[ . 1 . 2 . 3]" 1
245 3 1 NAZ H45 4 1 NAZ H36 3.423 . 3.423 2.091 1.938 2.192 . 0 0 "[ . 1 . 2 . 3]" 1
246 3 1 NAZ H48 4 1 NAZ H36 4.545 3.056 4.545 4.684 4.582 4.756 0.211 15 0 "[ . 1 . 2 . 3]" 1
247 2 6 DA H62 4 1 NAZ H37 3.758 . 3.758 2.467 2.266 2.781 . 0 0 "[ . 1 . 2 . 3]" 1
248 3 1 NAZ H45 4 1 NAZ H37 3.246 2.011 3.246 3.322 3.283 3.355 0.109 12 0 "[ . 1 . 2 . 3]" 1
249 4 1 NAZ H38 4 1 NAZ H40 5.093 . 5.093 2.330 2.289 2.449 . 0 0 "[ . 1 . 2 . 3]" 1
250 4 1 NAZ H39 4 1 NAZ H40 4.812 . 4.812 2.801 2.665 2.921 . 0 0 "[ . 1 . 2 . 3]" 1
251 4 1 NAZ H38 4 1 NAZ H41 3.490 . 3.490 3.595 3.495 3.797 0.307 29 0 "[ . 1 . 2 . 3]" 1
252 4 1 NAZ H39 4 1 NAZ H41 4.412 2.554 4.412 2.768 2.637 2.959 . 0 0 "[ . 1 . 2 . 3]" 1
253 4 1 NAZ H40 4 1 NAZ H41 5.610 2.140 5.610 2.823 2.562 2.925 . 0 0 "[ . 1 . 2 . 3]" 1
254 4 1 NAZ H38 4 1 NAZ H42 4.743 3.015 4.743 3.672 3.130 3.935 . 0 0 "[ . 1 . 2 . 3]" 1
255 4 1 NAZ H39 4 1 NAZ H42 3.087 2.052 3.087 2.837 2.183 3.207 0.120 19 0 "[ . 1 . 2 . 3]" 1
256 1 7 DG H1 4 1 NAZ H43 3.953 . 3.953 4.027 3.983 4.089 0.136 18 0 "[ . 1 . 2 . 3]" 1
257 4 1 NAZ H41 4 1 NAZ H43 3.789 2.219 3.789 2.757 2.641 2.836 . 0 0 "[ . 1 . 2 . 3]" 1
258 4 1 NAZ H42 4 1 NAZ H43 3.899 2.375 3.899 2.256 2.244 2.280 0.131 7 0 "[ . 1 . 2 . 3]" 1
259 4 1 NAZ H41 4 1 NAZ H44 3.962 2.509 3.962 2.750 2.662 2.850 . 0 0 "[ . 1 . 2 . 3]" 1
260 4 1 NAZ H42 4 1 NAZ H44 3.429 2.213 3.429 2.744 2.620 2.832 . 0 0 "[ . 1 . 2 . 3]" 1
261 3 1 NAZ H36 4 1 NAZ H45 4.303 2.239 4.303 4.037 3.956 4.128 . 0 0 "[ . 1 . 2 . 3]" 1
262 3 1 NAZ H37 4 1 NAZ H45 3.816 2.449 3.816 2.418 2.357 2.502 0.092 12 0 "[ . 1 . 2 . 3]" 1
263 3 1 NAZ H55 4 1 NAZ H45 3.723 . 3.723 3.717 3.443 3.829 0.106 15 0 "[ . 1 . 2 . 3]" 1
264 3 1 NAZ H58 4 1 NAZ H45 4.187 2.362 4.187 4.247 4.119 4.322 0.135 12 0 "[ . 1 . 2 . 3]" 1
265 2 4 DT H2' 4 1 NAZ H46 3.510 2.481 3.510 3.158 2.854 3.362 . 0 0 "[ . 1 . 2 . 3]" 1
266 2 4 DT H2'' 4 1 NAZ H46 3.839 2.228 3.839 3.445 3.102 3.695 . 0 0 "[ . 1 . 2 . 3]" 1
267 3 1 NAZ H55 4 1 NAZ H46 3.338 . 3.338 3.504 3.394 3.590 0.252 14 0 "[ . 1 . 2 . 3]" 1
268 1 8 DA H2 4 1 NAZ H47 5.718 3.773 5.718 4.662 4.256 5.010 . 0 0 "[ . 1 . 2 . 3]" 1
269 2 4 DT H1' 4 1 NAZ H47 3.599 2.210 3.599 3.615 3.519 3.669 0.070 26 0 "[ . 1 . 2 . 3]" 1
270 2 4 DT H2'' 4 1 NAZ H47 4.253 2.350 4.253 3.278 3.045 3.556 . 0 0 "[ . 1 . 2 . 3]" 1
271 3 1 NAZ H56 4 1 NAZ H47 4.504 2.700 4.504 4.146 4.069 4.189 . 0 0 "[ . 1 . 2 . 3]" 1
272 3 1 NAZ H57 4 1 NAZ H47 3.420 2.327 3.420 3.142 3.055 3.285 . 0 0 "[ . 1 . 2 . 3]" 1
273 3 1 NAZ H59 4 1 NAZ H47 4.072 2.049 4.072 3.787 3.652 3.962 . 0 0 "[ . 1 . 2 . 3]" 1
274 2 4 DT H6 4 1 NAZ H48 4.313 2.683 4.313 4.336 4.283 4.361 0.048 3 0 "[ . 1 . 2 . 3]" 1
275 2 4 DT H2' 4 1 NAZ H48 3.092 2.075 3.092 3.139 3.097 3.189 0.097 16 0 "[ . 1 . 2 . 3]" 1
276 2 4 DT H2'' 4 1 NAZ H48 5.423 2.045 5.423 2.093 1.977 2.262 0.068 27 0 "[ . 1 . 2 . 3]" 1
277 3 1 NAZ H56 4 1 NAZ H48 5.514 3.799 5.514 5.608 5.562 5.665 0.151 2 0 "[ . 1 . 2 . 3]" 1
278 3 1 NAZ H57 4 1 NAZ H48 3.949 2.566 3.949 4.025 3.970 4.068 0.119 30 0 "[ . 1 . 2 . 3]" 1
279 3 1 NAZ H59 4 1 NAZ H48 3.367 2.077 3.367 2.962 2.860 3.091 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 6 DA H62 4 1 NAZ H49 4.032 . 4.032 3.227 2.960 3.454 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 7 DG H22 4 1 NAZ H49 3.449 . 5.149 5.214 5.161 5.266 0.117 21 0 "[ . 1 . 2 . 3]" 1
282 1 7 DG H1 4 1 NAZ H49 4.479 . 4.479 1.800 1.743 1.857 . 0 0 "[ . 1 . 2 . 3]" 1
283 4 1 NAZ H41 4 1 NAZ H49 3.502 . 3.502 2.994 2.720 3.282 . 0 0 "[ . 1 . 2 . 3]" 1
284 4 1 NAZ H43 4 1 NAZ H49 3.540 . 3.540 2.512 2.362 2.679 . 0 0 "[ . 1 . 2 . 3]" 1
285 4 1 NAZ H44 4 1 NAZ H49 4.210 . 4.210 3.566 3.515 3.593 . 0 0 "[ . 1 . 2 . 3]" 1
286 4 1 NAZ H45 4 1 NAZ H49 4.160 . 4.160 3.661 3.636 3.681 . 0 0 "[ . 1 . 2 . 3]" 1
287 4 1 NAZ H36 4 1 NAZ H53 3.453 2.209 5.253 4.522 4.441 4.663 . 0 0 "[ . 1 . 2 . 3]" 1
288 4 1 NAZ H37 4 1 NAZ H53 4.819 3.478 6.619 4.623 4.287 5.282 . 0 0 "[ . 1 . 2 . 3]" 1
289 4 1 NAZ H38 4 1 NAZ H53 4.007 2.299 5.807 2.310 2.271 2.387 0.028 18 0 "[ . 1 . 2 . 3]" 1
290 4 1 NAZ H39 4 1 NAZ H53 3.213 . 5.013 2.562 2.448 2.627 . 0 0 "[ . 1 . 2 . 3]" 1
291 4 1 NAZ H41 4 1 NAZ H53 3.467 2.343 5.267 3.870 3.539 4.538 . 0 0 "[ . 1 . 2 . 3]" 1
292 4 1 NAZ H42 4 1 NAZ H53 3.605 2.375 5.405 4.673 4.419 4.805 . 0 0 "[ . 1 . 2 . 3]" 1
293 2 6 DA H62 4 1 NAZ H55 4.752 2.232 4.752 4.896 4.741 5.017 0.265 19 0 "[ . 1 . 2 . 3]" 1
294 3 1 NAZ H45 4 1 NAZ H55 4.031 . 4.031 4.141 4.026 4.253 0.222 26 0 "[ . 1 . 2 . 3]" 1
295 3 1 NAZ H46 4 1 NAZ H55 4.222 . 4.222 4.292 3.955 4.610 0.388 28 0 "[ . 1 . 2 . 3]" 1
296 4 1 NAZ H36 4 1 NAZ H55 4.014 . 4.014 2.319 2.206 2.541 . 0 0 "[ . 1 . 2 . 3]" 1
297 4 1 NAZ H38 4 1 NAZ H55 4.085 . 4.085 3.878 3.516 4.125 0.040 26 0 "[ . 1 . 2 . 3]" 1
298 4 1 NAZ H39 4 1 NAZ H55 3.658 . 3.658 3.260 2.502 3.638 . 0 0 "[ . 1 . 2 . 3]" 1
299 4 1 NAZ H53 4 1 NAZ H55 3.713 . 5.513 2.816 2.354 3.595 . 0 0 "[ . 1 . 2 . 3]" 1
300 3 1 NAZ H47 4 1 NAZ H56 3.631 2.260 3.631 3.866 3.801 3.953 0.322 24 0 "[ . 1 . 2 . 3]" 1
301 3 1 NAZ H47 4 1 NAZ H57 3.012 2.119 3.012 3.198 3.166 3.219 0.207 19 0 "[ . 1 . 2 . 3]" 1
302 3 1 NAZ H48 4 1 NAZ H57 3.944 2.559 3.944 3.959 3.898 4.003 0.059 29 0 "[ . 1 . 2 . 3]" 1
303 3 1 NAZ H46 4 1 NAZ H58 4.141 2.307 4.141 3.113 2.978 3.204 . 0 0 "[ . 1 . 2 . 3]" 1
304 4 1 NAZ H36 4 1 NAZ H58 2.886 . 2.886 2.994 2.931 3.095 0.209 21 0 "[ . 1 . 2 . 3]" 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 14
_Distance_constraint_stats_list.Viol_count 163
_Distance_constraint_stats_list.Viol_total 319.853
_Distance_constraint_stats_list.Viol_max 0.125
_Distance_constraint_stats_list.Viol_rms 0.0385
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0254
_Distance_constraint_stats_list.Viol_average_violations_only 0.0654
_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 4 DA 2.178 0.106 4 0 "[ . 1 . 2 . 3]"
1 7 DG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 8 DA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 4 DT 0.933 0.074 10 0 "[ . 1 . 2 . 3]"
2 7 DG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 8 DT 1.512 0.089 25 0 "[ . 1 . 2 . 3]"
3 1 NAZ 7.755 0.125 25 0 "[ . 1 . 2 . 3]"
4 1 NAZ 3.304 0.074 10 0 "[ . 1 . 2 . 3]"
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 4 DA H1' 3 1 NAZ C19 3.529 2.475 5.129 5.202 5.170 5.235 0.106 4 0 "[ . 1 . 2 . 3]" 2
2 1 4 DA H2 3 1 NAZ C19 3.006 . 4.106 3.497 3.376 3.624 . 0 0 "[ . 1 . 2 . 3]" 2
3 2 7 DG H21 3 1 NAZ C19 3.271 2.151 6.071 3.973 3.920 4.041 . 0 0 "[ . 1 . 2 . 3]" 2
4 2 8 DT H3 3 1 NAZ C19 4.190 . 5.290 5.340 5.287 5.379 0.089 25 0 "[ . 1 . 2 . 3]" 2
5 3 1 NAZ C19 3 1 NAZ H48 3.337 2.195 4.437 4.559 4.555 4.562 0.125 25 0 "[ . 1 . 2 . 3]" 2
6 3 1 NAZ C19 4 1 NAZ H35 5.282 2.990 6.382 4.993 4.886 5.052 . 0 0 "[ . 1 . 2 . 3]" 2
7 1 7 DG H22 4 1 NAZ C19 4.967 2.986 7.767 4.143 3.775 4.446 . 0 0 "[ . 1 . 2 . 3]" 2
8 1 8 DA H2 4 1 NAZ C19 3.686 2.412 4.786 2.715 2.548 2.974 . 0 0 "[ . 1 . 2 . 3]" 2
9 2 4 DT H3 4 1 NAZ C19 3.348 . 4.448 4.475 4.389 4.522 0.074 10 0 "[ . 1 . 2 . 3]" 2
10 3 1 NAZ H35 4 1 NAZ C19 4.305 . 5.405 5.358 5.078 5.467 0.062 7 0 "[ . 1 . 2 . 3]" 2
11 3 1 NAZ H56 4 1 NAZ C19 3.985 . 5.085 3.527 3.347 3.980 . 0 0 "[ . 1 . 2 . 3]" 2
12 4 1 NAZ C19 4 1 NAZ H48 3.394 2.123 4.494 4.560 4.557 4.563 0.069 6 0 "[ . 1 . 2 . 3]" 2
13 3 1 NAZ C19 4 1 NAZ H56 3.450 . 4.550 3.599 3.438 3.698 . 0 0 "[ . 1 . 2 . 3]" 2
14 3 1 NAZ C19 4 1 NAZ H57 4.428 2.397 5.528 4.433 4.346 4.529 . 0 0 "[ . 1 . 2 . 3]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 63
_Distance_constraint_stats_list.Viol_count 701
_Distance_constraint_stats_list.Viol_total 803.908
_Distance_constraint_stats_list.Viol_max 0.198
_Distance_constraint_stats_list.Viol_rms 0.0305
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0142
_Distance_constraint_stats_list.Viol_average_violations_only 0.0382
_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 DC 0.525 0.030 1 0 "[ . 1 . 2 . 3]"
1 2 DT 5.812 0.148 14 0 "[ . 1 . 2 . 3]"
1 3 DA 3.354 0.080 9 0 "[ . 1 . 2 . 3]"
1 4 DA 6.666 0.198 1 0 "[ . 1 . 2 . 3]"
1 6 DA 1.122 0.067 29 0 "[ . 1 . 2 . 3]"
1 7 DG 0.334 0.052 26 0 "[ . 1 . 2 . 3]"
1 8 DA 3.701 0.134 7 0 "[ . 1 . 2 . 3]"
1 9 DA 2.533 0.069 29 0 "[ . 1 . 2 . 3]"
1 10 DT 0.324 0.037 11 0 "[ . 1 . 2 . 3]"
1 11 DG 0.027 0.012 11 0 "[ . 1 . 2 . 3]"
2 1 DC 0.027 0.012 11 0 "[ . 1 . 2 . 3]"
2 2 DA 0.324 0.037 11 0 "[ . 1 . 2 . 3]"
2 3 DT 2.533 0.069 29 0 "[ . 1 . 2 . 3]"
2 4 DT 3.701 0.134 7 0 "[ . 1 . 2 . 3]"
2 6 DA 2.398 0.083 13 0 "[ . 1 . 2 . 3]"
2 7 DG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 8 DT 6.666 0.198 1 0 "[ . 1 . 2 . 3]"
2 9 DT 3.354 0.080 9 0 "[ . 1 . 2 . 3]"
2 10 DA 5.812 0.148 14 0 "[ . 1 . 2 . 3]"
2 11 DG 0.525 0.030 1 0 "[ . 1 . 2 . 3]"
3 1 NAZ 1.122 0.067 29 0 "[ . 1 . 2 . 3]"
4 1 NAZ 2.732 0.083 13 0 "[ . 1 . 2 . 3]"
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 DC N3 2 11 DG N1 2.870 2.670 3.070 2.666 2.653 2.731 0.017 29 0 "[ . 1 . 2 . 3]" 3
2 1 1 DC N3 2 11 DG H1 1.860 . 2.060 1.660 1.651 1.727 0.009 29 0 "[ . 1 . 2 . 3]" 3
3 1 1 DC N4 2 11 DG O6 2.810 2.610 3.010 2.675 2.641 2.713 . 0 0 "[ . 1 . 2 . 3]" 3
4 1 1 DC O2 2 11 DG N2 2.810 2.610 3.010 2.615 2.580 2.799 0.030 1 0 "[ . 1 . 2 . 3]" 3
5 1 1 DC N3 2 11 DG O6 3.580 3.380 3.780 3.438 3.382 3.475 . 0 0 "[ . 1 . 2 . 3]" 3
6 1 1 DC N3 2 11 DG N2 3.630 3.430 3.830 3.456 3.420 3.560 0.010 14 0 "[ . 1 . 2 . 3]" 3
7 1 2 DT H3 2 10 DA N1 1.870 . 2.070 1.856 1.833 1.874 . 0 0 "[ . 1 . 2 . 3]" 3
8 1 2 DT O4 2 10 DA N6 2.890 2.690 3.090 3.163 3.119 3.197 0.107 22 0 "[ . 1 . 2 . 3]" 3
9 1 2 DT O2 2 10 DA H2 2.940 2.740 3.140 2.622 2.592 2.649 0.148 14 0 "[ . 1 . 2 . 3]" 3
10 1 2 DT O4 2 10 DA N1 3.690 3.490 3.890 3.494 3.480 3.559 0.010 7 0 "[ . 1 . 2 . 3]" 3
11 1 2 DT O2 2 10 DA N1 3.670 3.470 3.870 3.723 3.618 3.765 . 0 0 "[ . 1 . 2 . 3]" 3
12 1 3 DA N1 2 9 DT N3 2.920 2.720 3.120 2.684 2.673 2.706 0.047 18 0 "[ . 1 . 2 . 3]" 3
13 1 3 DA N1 2 9 DT H3 1.870 . 2.070 1.672 1.663 1.691 0.007 18 0 "[ . 1 . 2 . 3]" 3
14 1 3 DA N6 2 9 DT O4 2.890 2.690 3.090 2.691 2.651 2.771 0.039 24 0 "[ . 1 . 2 . 3]" 3
15 1 3 DA H2 2 9 DT O2 2.940 2.740 3.140 2.696 2.660 2.728 0.080 9 0 "[ . 1 . 2 . 3]" 3
16 1 3 DA N1 2 9 DT O4 3.690 3.490 3.890 3.481 3.466 3.514 0.024 4 0 "[ . 1 . 2 . 3]" 3
17 1 3 DA N1 2 9 DT O2 3.670 3.470 3.870 3.465 3.427 3.518 0.043 25 0 "[ . 1 . 2 . 3]" 3
18 1 4 DA N1 2 8 DT N3 2.920 2.720 3.120 2.748 2.697 2.793 0.023 18 0 "[ . 1 . 2 . 3]" 3
19 1 4 DA N1 2 8 DT H3 1.870 . 2.070 1.776 1.726 1.831 . 0 0 "[ . 1 . 2 . 3]" 3
20 1 4 DA N6 2 8 DT O4 2.890 2.690 3.090 3.045 2.921 3.126 0.036 24 0 "[ . 1 . 2 . 3]" 3
21 1 4 DA H2 2 8 DT O2 2.940 2.740 3.140 2.583 2.542 2.622 0.198 1 0 "[ . 1 . 2 . 3]" 3
22 1 4 DA N1 2 8 DT O4 3.690 3.490 3.890 3.433 3.417 3.460 0.073 25 0 "[ . 1 . 2 . 3]" 3
23 1 4 DA N1 2 8 DT O2 3.670 3.470 3.870 3.630 3.547 3.673 . 0 0 "[ . 1 . 2 . 3]" 3
24 2 7 DG N2 3 1 NAZ N17 2.870 2.470 3.270 2.813 2.784 2.836 . 0 0 "[ . 1 . 2 . 3]" 3
25 2 7 DG N1 3 1 NAZ N10 2.870 2.470 3.270 2.913 2.891 2.931 . 0 0 "[ . 1 . 2 . 3]" 3
26 2 7 DG H1 3 1 NAZ N10 1.860 . 2.260 1.983 1.960 2.003 . 0 0 "[ . 1 . 2 . 3]" 3
27 2 7 DG O6 3 1 NAZ H49 1.800 . 2.200 1.831 1.797 1.867 . 0 0 "[ . 1 . 2 . 3]" 3
28 2 7 DG O6 3 1 NAZ N18 2.810 2.410 3.210 2.724 2.688 2.757 . 0 0 "[ . 1 . 2 . 3]" 3
29 1 6 DA N1 3 1 NAZ N26 2.920 2.520 3.320 3.307 3.126 3.387 0.067 29 0 "[ . 1 . 2 . 3]" 3
30 1 6 DA N1 3 1 NAZ H35 1.870 . 2.270 2.239 2.082 2.317 0.047 21 0 "[ . 1 . 2 . 3]" 3
31 1 6 DA N6 3 1 NAZ N33 2.890 2.690 3.090 2.692 2.628 2.778 0.062 21 0 "[ . 1 . 2 . 3]" 3
32 1 7 DG N2 4 1 NAZ N17 2.870 2.470 3.270 3.059 2.790 3.279 0.009 11 0 "[ . 1 . 2 . 3]" 3
33 1 7 DG N1 4 1 NAZ N10 2.870 2.470 3.270 3.185 3.090 3.265 . 0 0 "[ . 1 . 2 . 3]" 3
34 1 7 DG H1 4 1 NAZ N10 1.860 . 2.260 2.242 2.135 2.311 0.051 6 0 "[ . 1 . 2 . 3]" 3
35 1 7 DG O6 4 1 NAZ H49 1.800 . 2.200 2.133 1.980 2.252 0.052 26 0 "[ . 1 . 2 . 3]" 3
36 1 7 DG O6 4 1 NAZ N18 2.810 2.410 3.210 3.055 2.887 3.199 . 0 0 "[ . 1 . 2 . 3]" 3
37 2 6 DA N1 4 1 NAZ N26 2.920 2.520 3.320 3.353 3.296 3.393 0.073 13 0 "[ . 1 . 2 . 3]" 3
38 2 6 DA N1 4 1 NAZ H35 1.870 . 2.270 2.267 2.210 2.311 0.041 13 0 "[ . 1 . 2 . 3]" 3
39 2 6 DA N6 4 1 NAZ N33 2.890 2.690 3.090 2.664 2.607 2.755 0.083 13 0 "[ . 1 . 2 . 3]" 3
40 1 8 DA N1 2 4 DT N3 2.920 2.720 3.120 2.792 2.759 2.839 . 0 0 "[ . 1 . 2 . 3]" 3
41 1 8 DA N1 2 4 DT H3 1.870 . 2.070 1.807 1.778 1.851 . 0 0 "[ . 1 . 2 . 3]" 3
42 1 8 DA N6 2 4 DT O4 2.890 2.690 3.090 2.656 2.622 2.682 0.068 21 0 "[ . 1 . 2 . 3]" 3
43 1 8 DA H2 2 4 DT O2 2.940 2.740 3.140 2.907 2.844 3.005 . 0 0 "[ . 1 . 2 . 3]" 3
44 1 8 DA N1 2 4 DT O4 3.690 3.490 3.890 3.722 3.684 3.773 . 0 0 "[ . 1 . 2 . 3]" 3
45 1 8 DA N1 2 4 DT O2 3.670 3.470 3.870 3.380 3.336 3.413 0.134 7 0 "[ . 1 . 2 . 3]" 3
46 1 9 DA N1 2 3 DT N3 2.920 2.720 3.120 2.693 2.677 2.726 0.043 3 0 "[ . 1 . 2 . 3]" 3
47 1 9 DA N1 2 3 DT H3 1.870 . 2.070 1.684 1.668 1.717 0.002 3 0 "[ . 1 . 2 . 3]" 3
48 1 9 DA N6 2 3 DT O4 2.890 2.690 3.090 2.696 2.654 2.817 0.036 14 0 "[ . 1 . 2 . 3]" 3
49 1 9 DA H2 2 3 DT O2 2.940 2.740 3.140 2.706 2.671 2.729 0.069 29 0 "[ . 1 . 2 . 3]" 3
50 1 9 DA N1 2 3 DT O4 3.690 3.490 3.890 3.480 3.446 3.499 0.044 9 0 "[ . 1 . 2 . 3]" 3
51 1 9 DA N1 2 3 DT O2 3.670 3.470 3.870 3.473 3.441 3.530 0.029 11 0 "[ . 1 . 2 . 3]" 3
52 1 10 DT N3 2 2 DA N1 2.920 2.720 3.120 2.907 2.818 2.961 . 0 0 "[ . 1 . 2 . 3]" 3
53 1 10 DT H3 2 2 DA N1 1.870 . 2.070 1.905 1.814 1.965 . 0 0 "[ . 1 . 2 . 3]" 3
54 1 10 DT O4 2 2 DA N6 2.890 2.690 3.090 2.797 2.675 2.901 0.015 11 0 "[ . 1 . 2 . 3]" 3
55 1 10 DT O2 2 2 DA H2 2.940 2.740 3.140 3.048 2.862 3.177 0.037 11 0 "[ . 1 . 2 . 3]" 3
56 1 10 DT O4 2 2 DA N1 3.690 3.490 3.890 3.486 3.469 3.541 0.021 9 0 "[ . 1 . 2 . 3]" 3
57 1 10 DT O2 2 2 DA N1 3.670 3.470 3.870 3.790 3.659 3.875 0.005 12 0 "[ . 1 . 2 . 3]" 3
58 1 11 DG N1 2 1 DC N3 2.870 2.670 3.070 2.795 2.753 2.883 . 0 0 "[ . 1 . 2 . 3]" 3
59 1 11 DG H1 2 1 DC N3 1.860 . 2.060 1.788 1.745 1.891 . 0 0 "[ . 1 . 2 . 3]" 3
60 1 11 DG O6 2 1 DC N4 2.810 2.610 3.010 2.781 2.764 2.837 . 0 0 "[ . 1 . 2 . 3]" 3
61 1 11 DG N2 2 1 DC O2 2.810 2.610 3.010 2.712 2.607 2.899 0.003 28 0 "[ . 1 . 2 . 3]" 3
62 1 11 DG O6 2 1 DC N3 3.580 3.380 3.780 3.479 3.368 3.539 0.012 11 0 "[ . 1 . 2 . 3]" 3
63 1 11 DG N2 2 1 DC N3 3.630 3.430 3.830 3.604 3.511 3.839 0.009 11 0 "[ . 1 . 2 . 3]" 3
stop_
save_
Contact the webmaster for help, if required. Thursday, July 4, 2024 6:54:36 PM GMT (wattos1)