NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
383104 |
1jur   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1jur
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 232
_Distance_constraint_stats_list.Viol_count 376
_Distance_constraint_stats_list.Viol_total 73.204
_Distance_constraint_stats_list.Viol_max 0.139
_Distance_constraint_stats_list.Viol_rms 0.0145
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0039
_Distance_constraint_stats_list.Viol_average_violations_only 0.0216
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 G 0.410 0.032 4 0 "[ . ]"
1 2 G 0.263 0.032 4 0 "[ . ]"
1 3 C 0.065 0.013 5 0 "[ . ]"
1 4 C 0.039 0.010 5 0 "[ . ]"
1 5 U 0.111 0.020 3 0 "[ . ]"
1 6 G 0.536 0.043 8 0 "[ . ]"
1 7 A 0.688 0.043 8 0 "[ . ]"
1 8 G 0.321 0.024 4 0 "[ . ]"
1 9 G 0.656 0.076 9 0 "[ . ]"
1 10 A 0.675 0.076 9 0 "[ . ]"
1 11 G 0.377 0.024 8 0 "[ . ]"
1 12 A 1.846 0.139 2 0 "[ . ]"
1 13 C 0.635 0.059 9 0 "[ . ]"
1 14 U 0.277 0.031 7 0 "[ . ]"
1 15 C 0.406 0.031 7 0 "[ . ]"
1 16 A 1.961 0.132 5 0 "[ . ]"
1 17 G 0.749 0.059 8 0 "[ . ]"
1 18 A 0.708 0.052 9 0 "[ . ]"
1 19 A 0.269 0.032 9 0 "[ . ]"
1 20 G 0.245 0.032 9 0 "[ . ]"
1 21 C 0.131 0.014 5 0 "[ . ]"
1 22 C 0.264 0.025 4 0 "[ . ]"
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 18 A H2 1 19 A H2 1.000 . 41.000 5.524 3.645 7.571 . 0 0 "[ . ]" 1
2 1 1 G H1' 1 1 G H8 3.000 . 4.200 3.824 3.778 3.868 . 0 0 "[ . ]" 1
3 1 1 G H1' 1 2 G H8 3.000 . 4.200 4.223 4.212 4.232 0.032 4 0 "[ . ]" 1
4 1 2 G H1' 1 2 G H8 3.000 . 4.200 3.650 3.550 3.756 . 0 0 "[ . ]" 1
5 1 2 G H1' 1 3 C H6 4.000 3.000 5.500 4.894 4.582 5.091 . 0 0 "[ . ]" 1
6 1 3 C H1' 1 3 C H6 3.000 . 4.200 3.561 3.478 3.608 . 0 0 "[ . ]" 1
7 1 3 C H1' 1 4 C H6 4.000 3.000 5.500 5.042 4.544 5.381 . 0 0 "[ . ]" 1
8 1 4 C H1' 1 4 C H6 3.000 . 4.200 3.471 3.373 3.585 . 0 0 "[ . ]" 1
9 1 4 C H1' 1 5 U H6 4.000 3.000 5.500 4.802 4.680 4.981 . 0 0 "[ . ]" 1
10 1 5 U H1' 1 5 U H6 3.000 . 4.200 3.519 3.500 3.547 . 0 0 "[ . ]" 1
11 1 5 U H1' 1 6 G H8 4.000 3.000 5.500 4.932 4.782 5.037 . 0 0 "[ . ]" 1
12 1 6 G H1' 1 6 G H8 3.000 . 4.200 3.751 3.703 3.782 . 0 0 "[ . ]" 1
13 1 6 G H1' 1 7 A H8 3.000 . 4.200 4.239 4.232 4.243 0.043 8 0 "[ . ]" 1
14 1 7 A H1' 1 7 A H8 3.000 . 4.200 3.571 3.501 3.618 . 0 0 "[ . ]" 1
15 1 7 A H1' 1 8 G H8 4.000 3.000 5.500 5.047 4.906 5.218 . 0 0 "[ . ]" 1
16 1 8 G H1' 1 8 G H8 4.000 . 5.500 3.717 3.656 3.770 . 0 0 "[ . ]" 1
17 1 8 G H1' 1 9 G H8 4.000 . 5.500 5.513 5.505 5.521 0.021 9 0 "[ . ]" 1
18 1 9 G H1' 1 9 G H8 3.000 . 4.200 3.661 3.629 3.744 . 0 0 "[ . ]" 1
19 1 10 A H1' 1 10 A H8 3.000 . 4.200 3.601 3.498 3.816 . 0 0 "[ . ]" 1
20 1 10 A H1' 1 11 G H8 4.000 3.000 5.500 4.830 4.587 4.986 . 0 0 "[ . ]" 1
21 1 11 G H1' 1 11 G H8 3.000 . 4.200 3.625 3.580 3.680 . 0 0 "[ . ]" 1
22 1 11 G H1' 1 12 A H8 4.000 3.000 5.500 5.457 5.354 5.515 0.015 8 0 "[ . ]" 1
23 1 12 A H1' 1 12 A H8 3.000 . 4.200 3.709 3.560 3.804 . 0 0 "[ . ]" 1
24 1 14 U H1' 1 14 U H6 3.000 . 4.200 3.616 3.570 3.646 . 0 0 "[ . ]" 1
25 1 14 U H1' 1 15 C H6 3.000 . 4.200 4.225 4.216 4.231 0.031 7 0 "[ . ]" 1
26 1 15 C H1' 1 15 C H6 3.000 . 4.200 3.511 3.467 3.570 . 0 0 "[ . ]" 1
27 1 15 C H1' 1 16 A H8 4.000 . 5.500 5.508 5.501 5.512 0.012 9 0 "[ . ]" 1
28 1 16 A H1' 1 16 A H8 2.400 . 3.000 3.120 3.108 3.132 0.132 5 0 "[ . ]" 1
29 1 16 A H1' 1 17 G H8 4.000 3.000 5.500 5.513 5.506 5.522 0.022 8 0 "[ . ]" 1
30 1 17 G H1' 1 17 G H8 3.000 . 4.200 3.678 3.631 3.743 . 0 0 "[ . ]" 1
31 1 17 G H1' 1 18 A H8 4.000 3.000 5.500 4.948 4.715 5.427 . 0 0 "[ . ]" 1
32 1 18 A H1' 1 18 A H8 4.000 3.000 5.500 3.778 3.646 3.835 . 0 0 "[ . ]" 1
33 1 18 A H1' 1 19 A H8 4.000 3.000 5.500 3.952 2.994 5.413 0.006 7 0 "[ . ]" 1
34 1 19 A H1' 1 19 A H8 4.000 3.000 5.500 3.730 3.161 3.911 . 0 0 "[ . ]" 1
35 1 19 A H1' 1 20 G H8 4.000 3.000 5.500 4.499 3.862 5.127 . 0 0 "[ . ]" 1
36 1 20 G H1' 1 20 G H8 3.000 . 4.200 3.718 3.654 3.770 . 0 0 "[ . ]" 1
37 1 20 G H1' 1 21 C H6 4.000 . 5.500 4.964 4.696 5.214 . 0 0 "[ . ]" 1
38 1 21 C H1' 1 21 C H6 4.000 . 5.500 3.626 3.575 3.652 . 0 0 "[ . ]" 1
39 1 21 C H1' 1 22 C H6 4.000 . 5.500 5.510 5.504 5.514 0.014 5 0 "[ . ]" 1
40 1 22 C H1' 1 22 C H6 3.000 . 4.200 3.636 3.620 3.665 . 0 0 "[ . ]" 1
41 1 3 C H6 1 4 C H5 4.000 3.000 5.500 3.488 3.002 4.481 . 0 0 "[ . ]" 1
42 1 10 A H2 1 11 G H1' 2.400 . 3.000 2.943 2.814 3.003 0.003 8 0 "[ . ]" 1
43 1 7 A H2 1 15 C H1' 2.400 . 3.000 2.994 2.944 3.014 0.014 7 0 "[ . ]" 1
44 1 16 A H2 1 17 G H1' 2.400 . 3.000 3.004 2.991 3.012 0.012 3 0 "[ . ]" 1
45 1 6 G H1' 1 16 A H2 2.400 . 3.000 3.002 2.963 3.014 0.014 9 0 "[ . ]" 1
46 1 7 A H2 1 8 G H1' 2.400 . 3.000 3.017 3.007 3.024 0.024 4 0 "[ . ]" 1
47 1 19 A H2 1 20 G H1' 2.400 . 3.000 2.967 2.614 3.021 0.021 5 0 "[ . ]" 1
48 1 1 G H2' 1 1 G H8 2.400 . 3.000 3.021 3.010 3.031 0.031 1 0 "[ . ]" 1
49 1 1 G H2' 1 2 G H8 2.400 . 3.000 2.001 1.933 2.050 . 0 0 "[ . ]" 1
50 1 2 G H2' 1 2 G H8 4.000 . 5.500 4.117 3.818 4.290 . 0 0 "[ . ]" 1
51 1 2 G H2' 1 3 C H6 4.000 . 5.500 2.265 2.115 2.377 . 0 0 "[ . ]" 1
52 1 3 C H2' 1 3 C H6 4.000 . 5.500 3.995 3.737 4.269 . 0 0 "[ . ]" 1
53 1 3 C H2' 1 4 C H6 2.400 . 3.000 2.677 2.180 3.007 0.007 5 0 "[ . ]" 1
54 1 4 C H2' 1 4 C H6 4.000 3.000 5.500 4.283 3.981 4.488 . 0 0 "[ . ]" 1
55 1 4 C H2' 1 5 U H6 2.400 . 3.000 2.273 2.161 2.561 . 0 0 "[ . ]" 1
56 1 5 U H2' 1 5 U H6 4.000 . 5.500 4.201 4.138 4.239 . 0 0 "[ . ]" 1
57 1 5 U H2' 1 6 G H8 2.400 . 3.000 2.561 2.301 2.744 . 0 0 "[ . ]" 1
58 1 6 G H2' 1 6 G H8 3.000 . 4.200 4.202 4.182 4.212 0.012 7 0 "[ . ]" 1
59 1 6 G H2' 1 7 A H8 2.400 . 3.000 2.029 1.976 2.070 . 0 0 "[ . ]" 1
60 1 7 A H2' 1 7 A H8 3.000 . 4.200 4.212 4.204 4.224 0.024 2 0 "[ . ]" 1
61 1 7 A H2' 1 8 G H8 2.400 . 3.000 2.485 2.330 2.607 . 0 0 "[ . ]" 1
62 1 8 G H2' 1 8 G H8 4.000 . 5.500 4.052 3.935 4.142 . 0 0 "[ . ]" 1
63 1 8 G H2' 1 9 G H8 4.000 . 5.500 3.468 3.045 4.044 . 0 0 "[ . ]" 1
64 1 9 G H2' 1 9 G H8 3.000 . 4.200 3.398 3.012 3.949 . 0 0 "[ . ]" 1
65 1 9 G H2' 1 10 A H8 4.000 3.000 5.500 3.895 2.973 4.383 0.027 9 0 "[ . ]" 1
66 1 10 A H2' 1 10 A H8 4.000 . 5.500 4.322 4.028 4.394 . 0 0 "[ . ]" 1
67 1 10 A H2' 1 11 G H8 3.000 . 4.200 2.511 2.283 2.732 . 0 0 "[ . ]" 1
68 1 11 G H2' 1 11 G H8 3.000 . 4.200 4.173 4.028 4.211 0.011 9 0 "[ . ]" 1
69 1 11 G H2' 1 12 A H8 2.400 . 3.000 2.927 2.799 3.007 0.007 5 0 "[ . ]" 1
70 1 12 A H2' 1 12 A H8 3.000 . 4.200 4.039 3.753 4.177 . 0 0 "[ . ]" 1
71 1 14 U H2' 1 14 U H6 4.000 . 5.500 3.979 3.822 4.199 . 0 0 "[ . ]" 1
72 1 14 U H2' 1 15 C H6 4.000 . 5.500 2.018 1.974 2.082 . 0 0 "[ . ]" 1
73 1 15 C H2' 1 15 C H6 4.000 . 5.500 4.254 4.104 4.403 . 0 0 "[ . ]" 1
74 1 15 C H2' 1 16 A H8 4.000 . 5.500 3.069 2.803 3.381 . 0 0 "[ . ]" 1
75 1 16 A H2' 1 16 A H8 2.400 . 3.000 3.057 3.052 3.060 0.060 4 0 "[ . ]" 1
76 1 16 A H2' 1 17 G H8 2.400 . 3.000 2.745 2.673 2.910 . 0 0 "[ . ]" 1
77 1 17 G H2' 1 17 G H8 2.400 . 3.000 3.019 2.950 3.059 0.059 8 0 "[ . ]" 1
78 1 17 G H2' 1 18 A H8 2.400 . 3.000 2.688 2.516 2.829 . 0 0 "[ . ]" 1
79 1 18 A H2' 1 18 A H8 4.000 . 5.500 2.134 2.038 2.419 . 0 0 "[ . ]" 1
80 1 19 A H2' 1 19 A H8 4.000 . 5.500 3.010 2.234 4.497 . 0 0 "[ . ]" 1
81 1 19 A H2' 1 20 G H8 4.000 . 5.500 3.623 2.266 4.756 . 0 0 "[ . ]" 1
82 1 20 G H2' 1 20 G H8 3.000 . 4.200 3.976 3.854 4.191 . 0 0 "[ . ]" 1
83 1 20 G H2' 1 21 C H6 2.400 . 3.000 2.443 2.258 2.621 . 0 0 "[ . ]" 1
84 1 21 C H2' 1 21 C H6 4.000 . 5.500 3.793 3.547 4.046 . 0 0 "[ . ]" 1
85 1 21 C H2' 1 22 C H6 4.000 . 5.500 3.186 2.926 3.395 . 0 0 "[ . ]" 1
86 1 22 C H2' 1 22 C H6 2.400 . 3.000 3.019 3.012 3.025 0.025 4 0 "[ . ]" 1
87 1 1 G H3' 1 1 G H8 3.000 . 4.200 2.470 2.213 2.964 . 0 0 "[ . ]" 1
88 1 1 G H3' 1 2 G H8 4.000 3.000 5.500 3.807 3.483 4.054 . 0 0 "[ . ]" 1
89 1 2 G H3' 1 2 G H8 4.000 . 5.500 3.164 2.658 3.645 . 0 0 "[ . ]" 1
90 1 2 G H3' 1 3 C H6 4.000 . 5.500 2.967 2.603 3.375 . 0 0 "[ . ]" 1
91 1 3 C H3' 1 3 C H6 2.400 . 3.000 2.859 2.597 3.006 0.006 8 0 "[ . ]" 1
92 1 3 C H3' 1 4 C H6 2.400 . 3.000 2.488 2.100 2.935 . 0 0 "[ . ]" 1
93 1 4 C H3' 1 4 C H6 4.000 . 5.500 3.177 2.849 3.575 . 0 0 "[ . ]" 1
94 1 5 U H3' 1 5 U H6 2.400 . 3.000 3.000 2.993 3.006 0.006 5 0 "[ . ]" 1
95 1 5 U H3' 1 6 G H8 2.400 . 3.000 2.980 2.728 3.020 0.020 3 0 "[ . ]" 1
96 1 7 A H3' 1 7 A H8 3.000 . 4.200 3.322 3.233 3.522 . 0 0 "[ . ]" 1
97 1 7 A H3' 1 8 G H8 4.000 3.000 5.500 3.076 2.992 3.436 0.008 4 0 "[ . ]" 1
98 1 8 G H3' 1 8 G H8 4.000 . 5.500 2.843 2.576 3.109 . 0 0 "[ . ]" 1
99 1 8 G H3' 1 9 G H8 4.000 . 5.500 2.942 2.541 3.340 . 0 0 "[ . ]" 1
100 1 9 G H3' 1 9 G H8 2.400 . 3.000 2.348 2.002 2.878 . 0 0 "[ . ]" 1
101 1 10 A H3' 1 10 A H8 3.000 . 4.200 3.850 2.861 4.210 0.010 1 0 "[ . ]" 1
102 1 10 A H3' 1 11 G H8 2.400 . 3.000 2.378 2.135 2.700 . 0 0 "[ . ]" 1
103 1 11 G H3' 1 11 G H8 3.000 . 4.200 3.242 3.011 3.406 . 0 0 "[ . ]" 1
104 1 11 G H3' 1 12 A H8 3.000 . 4.200 2.750 2.442 3.042 . 0 0 "[ . ]" 1
105 1 12 A H3' 1 12 A H8 2.400 . 3.000 2.491 2.150 2.654 . 0 0 "[ . ]" 1
106 1 12 A H3' 1 13 C H6 3.000 . 4.200 2.729 2.069 3.410 . 0 0 "[ . ]" 1
107 1 13 C H3' 1 13 C H6 4.000 . 5.500 4.009 3.409 4.350 . 0 0 "[ . ]" 1
108 1 13 C H3' 1 14 U H6 4.000 . 5.500 3.361 2.678 3.781 . 0 0 "[ . ]" 1
109 1 14 U H3' 1 14 U H6 4.000 . 5.500 2.730 2.619 2.908 . 0 0 "[ . ]" 1
110 1 14 U H3' 1 15 C H6 4.000 . 5.500 2.968 2.559 3.479 . 0 0 "[ . ]" 1
111 1 15 C H3' 1 15 C H6 4.000 . 5.500 3.259 3.091 3.368 . 0 0 "[ . ]" 1
112 1 15 C H3' 1 16 A H8 4.000 . 5.500 3.745 3.598 3.874 . 0 0 "[ . ]" 1
113 1 17 G H3' 1 17 G H8 3.000 . 4.200 3.217 2.112 4.252 0.052 2 0 "[ . ]" 1
114 1 17 G H3' 1 18 A H8 3.000 . 4.200 4.171 4.021 4.219 0.019 8 0 "[ . ]" 1
115 1 18 A H3' 1 18 A H8 3.000 . 4.200 4.242 4.223 4.252 0.052 9 0 "[ . ]" 1
116 1 19 A H3' 1 19 A H8 4.000 . 5.500 4.940 4.663 5.431 . 0 0 "[ . ]" 1
117 1 19 A H3' 1 20 G H8 4.000 . 5.500 4.369 2.158 5.494 . 0 0 "[ . ]" 1
118 1 20 G H3' 1 20 G H8 2.400 . 3.000 2.927 2.588 3.014 0.014 3 0 "[ . ]" 1
119 1 20 G H3' 1 21 C H6 4.000 . 5.500 2.947 2.630 3.152 . 0 0 "[ . ]" 1
120 1 7 A H8 1 8 G H8 4.000 3.000 5.500 5.037 4.862 5.497 . 0 0 "[ . ]" 1
121 1 16 A H8 1 17 G H8 4.000 3.000 5.500 4.737 4.491 5.008 . 0 0 "[ . ]" 1
122 1 5 U H6 1 6 G H8 4.000 3.000 5.500 4.858 4.718 5.003 . 0 0 "[ . ]" 1
123 1 10 A H8 1 11 G H8 . 4.310 4.510 4.331 4.292 4.512 0.018 3 0 "[ . ]" 1
124 1 1 G H8 1 2 G H8 4.000 3.000 5.500 3.846 3.332 4.775 . 0 0 "[ . ]" 1
125 1 19 A H8 1 20 G H8 4.000 3.000 5.500 4.846 4.301 5.382 . 0 0 "[ . ]" 1
126 1 12 A H8 1 13 C H6 3.000 . 4.200 3.529 3.304 3.709 . 0 0 "[ . ]" 1
127 1 3 C H6 1 4 C H6 4.000 3.000 5.500 4.189 3.725 4.879 . 0 0 "[ . ]" 1
128 1 17 G H8 1 18 A H8 4.000 3.000 5.500 5.475 5.368 5.519 0.019 5 0 "[ . ]" 1
129 1 9 G H8 1 10 A H8 4.000 3.000 5.500 5.554 5.534 5.576 0.076 9 0 "[ . ]" 1
130 1 6 G H8 1 7 A H8 4.000 3.000 5.500 4.809 4.613 4.972 . 0 0 "[ . ]" 1
131 1 2 G H8 1 3 C H6 4.000 3.000 5.500 4.824 4.560 5.195 . 0 0 "[ . ]" 1
132 1 6 G H8 1 16 A H2 4.000 3.000 5.500 4.813 4.236 5.360 . 0 0 "[ . ]" 1
133 1 11 G H8 1 12 A H8 . 5.010 5.210 5.003 4.986 5.066 0.024 8 0 "[ . ]" 1
134 1 7 A H2 1 8 G H8 4.000 3.000 5.500 4.726 4.276 4.905 . 0 0 "[ . ]" 1
135 1 18 A H8 1 19 A H8 4.000 3.000 5.500 4.532 4.060 5.508 0.008 9 0 "[ . ]" 1
136 1 16 A H2 1 17 G H8 4.000 3.000 5.500 5.292 5.189 5.453 . 0 0 "[ . ]" 1
137 1 10 A H1' 1 11 G H1' 4.000 3.000 5.500 5.486 5.293 5.518 0.018 8 0 "[ . ]" 1
138 1 21 C H5 1 22 C H5 4.000 3.000 5.500 3.361 3.098 3.730 . 0 0 "[ . ]" 1
139 1 3 C H5 1 4 C H5 4.000 3.000 5.500 3.671 2.999 4.276 0.001 5 0 "[ . ]" 1
140 1 4 C H5 1 5 U H5 4.000 3.000 5.500 4.046 3.185 4.595 . 0 0 "[ . ]" 1
141 1 14 U H5 1 15 C H5 4.000 3.000 5.500 3.671 3.390 3.877 . 0 0 "[ . ]" 1
142 1 1 G H1' 1 2 G H1' 4.000 3.000 5.500 5.051 4.766 5.511 0.011 8 0 "[ . ]" 1
143 1 20 G H1' 1 21 C H5 4.000 3.000 5.500 5.439 5.100 5.509 0.009 4 0 "[ . ]" 1
144 1 11 G H1' 1 12 A H1' 4.000 3.000 5.500 5.482 5.360 5.515 0.015 9 0 "[ . ]" 1
145 1 13 C H5 1 14 U H5 4.000 3.000 5.500 5.498 5.442 5.511 0.011 2 0 "[ . ]" 1
146 1 2 G H1' 1 3 C H5 4.000 3.000 5.500 5.496 5.422 5.513 0.013 5 0 "[ . ]" 1
147 1 15 C H1' 1 16 A H1' 4.000 3.000 5.500 5.508 5.502 5.514 0.014 3 0 "[ . ]" 1
148 1 1 G H1' 1 1 G H2' 2.400 . 3.000 2.803 2.745 2.888 . 0 0 "[ . ]" 1
149 1 1 G H1' 1 1 G H3' 4.000 . 5.500 3.755 3.726 3.784 . 0 0 "[ . ]" 1
150 1 2 G H1' 1 2 G H2' 2.400 . 3.000 2.812 2.736 2.870 . 0 0 "[ . ]" 1
151 1 2 G H1' 1 2 G H3' 4.000 . 5.500 3.752 3.674 3.806 . 0 0 "[ . ]" 1
152 1 1 G H2' 1 2 G H1' 4.000 3.000 5.500 4.377 3.989 5.102 . 0 0 "[ . ]" 1
153 1 3 C H1' 1 3 C H2' 2.400 . 3.000 2.815 2.746 2.902 . 0 0 "[ . ]" 1
154 1 3 C H1' 1 3 C H3' 4.000 3.000 5.500 3.709 3.572 3.791 . 0 0 "[ . ]" 1
155 1 4 C H1' 1 4 C H2' 2.400 . 3.000 2.766 2.725 2.811 . 0 0 "[ . ]" 1
156 1 4 C H1' 1 4 C H3' 4.000 3.000 5.500 3.727 3.705 3.755 . 0 0 "[ . ]" 1
157 1 3 C H2' 1 4 C H1' 4.000 3.000 5.500 4.135 3.386 4.637 . 0 0 "[ . ]" 1
158 1 5 U H1' 1 5 U H2' 2.400 . 3.000 2.775 2.756 2.794 . 0 0 "[ . ]" 1
159 1 5 U H1' 1 5 U H3' 4.000 3.000 5.500 3.685 3.662 3.698 . 0 0 "[ . ]" 1
160 1 4 C H2' 1 5 U H1' 4.000 3.000 5.500 3.752 3.490 4.023 . 0 0 "[ . ]" 1
161 1 6 G H1' 1 6 G H2' 2.400 . 3.000 2.665 2.606 2.696 . 0 0 "[ . ]" 1
162 1 6 G H1' 1 6 G H3' 4.000 3.000 5.500 3.664 3.620 3.707 . 0 0 "[ . ]" 1
163 1 7 A H1' 1 7 A H2' 2.400 . 3.000 2.799 2.771 2.815 . 0 0 "[ . ]" 1
164 1 7 A H1' 1 7 A H3' 4.000 3.000 5.500 3.761 3.737 3.788 . 0 0 "[ . ]" 1
165 1 8 G H1' 1 8 G H2' 2.400 . 3.000 2.804 2.780 2.825 . 0 0 "[ . ]" 1
166 1 8 G H1' 1 8 G H3' 4.000 3.000 5.500 3.710 3.636 3.776 . 0 0 "[ . ]" 1
167 1 9 G H1' 1 9 G H2' 2.400 . 3.000 2.831 2.690 2.905 . 0 0 "[ . ]" 1
168 1 9 G H1' 1 9 G H3' 4.000 3.000 5.500 3.791 3.681 3.909 . 0 0 "[ . ]" 1
169 1 8 G H2' 1 9 G H1' 4.000 3.000 5.500 4.699 3.543 5.204 . 0 0 "[ . ]" 1
170 1 10 A H1' 1 10 A H2' 2.400 . 3.000 2.856 2.705 2.926 . 0 0 "[ . ]" 1
171 1 10 A H1' 1 10 A H3' 4.000 3.000 5.500 3.749 3.625 3.812 . 0 0 "[ . ]" 1
172 1 10 A H2' 1 11 G H1' 3.000 . 4.200 3.368 3.188 3.751 . 0 0 "[ . ]" 1
173 1 11 G H1' 1 11 G H2' 2.400 . 3.000 2.780 2.697 2.820 . 0 0 "[ . ]" 1
174 1 11 G H1' 1 11 G H3' 4.000 3.000 5.500 3.796 3.746 3.839 . 0 0 "[ . ]" 1
175 1 12 A H1' 1 12 A H2' 2.400 . 3.000 2.583 2.511 2.622 . 0 0 "[ . ]" 1
176 1 12 A H1' 1 12 A H3' 2.400 . 3.000 3.134 3.128 3.139 0.139 2 0 "[ . ]" 1
177 1 11 G H2' 1 12 A H1' 3.000 . 4.200 3.504 3.368 3.735 . 0 0 "[ . ]" 1
178 1 13 C H1' 1 13 C H2' 4.000 3.000 5.500 2.983 2.971 2.993 0.029 6 0 "[ . ]" 1
179 1 13 C H1' 1 13 C H3' 4.000 3.000 5.500 3.755 3.658 3.789 . 0 0 "[ . ]" 1
180 1 14 U H1' 1 14 U H2' 2.400 . 3.000 2.674 2.610 2.727 . 0 0 "[ . ]" 1
181 1 14 U H1' 1 14 U H3' 4.000 3.000 5.500 3.675 3.635 3.734 . 0 0 "[ . ]" 1
182 1 15 C H1' 1 15 C H2' 2.400 . 3.000 2.761 2.692 2.850 . 0 0 "[ . ]" 1
183 1 15 C H1' 1 15 C H3' 4.000 3.000 5.500 3.725 3.683 3.781 . 0 0 "[ . ]" 1
184 1 16 A H1' 1 16 A H2' 2.400 . 3.000 2.916 2.882 2.941 . 0 0 "[ . ]" 1
185 1 16 A H1' 1 16 A H3' 4.000 3.000 5.500 3.718 3.654 3.854 . 0 0 "[ . ]" 1
186 1 17 G H1' 1 17 G H2' 2.400 . 3.000 2.951 2.870 3.013 0.013 2 0 "[ . ]" 1
187 1 17 G H1' 1 17 G H3' 4.000 3.000 5.500 3.867 3.743 3.989 . 0 0 "[ . ]" 1
188 1 16 A H2' 1 17 G H1' 3.000 . 4.200 4.119 3.853 4.212 0.012 8 0 "[ . ]" 1
189 1 18 A H1' 1 18 A H2' 2.400 . 3.000 3.021 3.018 3.028 0.028 9 0 "[ . ]" 1
190 1 18 A H1' 1 18 A H3' 4.000 3.000 5.500 3.760 3.648 3.807 . 0 0 "[ . ]" 1
191 1 19 A H1' 1 19 A H2' 2.400 . 3.000 3.009 2.994 3.016 0.016 2 0 "[ . ]" 1
192 1 19 A H1' 1 19 A H3' 4.000 3.000 5.500 3.708 3.525 3.860 . 0 0 "[ . ]" 1
193 1 20 G H1' 1 20 G H2' 2.400 . 3.000 2.823 2.746 2.924 . 0 0 "[ . ]" 1
194 1 20 G H1' 1 20 G H3' 4.000 3.000 5.500 3.719 3.677 3.783 . 0 0 "[ . ]" 1
195 1 19 A H2' 1 20 G H1' 4.000 3.000 5.500 4.797 3.206 5.532 0.032 9 0 "[ . ]" 1
196 1 21 C H1' 1 21 C H2' 2.400 . 3.000 2.816 2.775 2.881 . 0 0 "[ . ]" 1
197 1 21 C H1' 1 21 C H3' 4.000 3.000 5.500 3.724 3.697 3.744 . 0 0 "[ . ]" 1
198 1 22 C H1' 1 22 C H2' 2.400 . 3.000 2.927 2.891 2.947 . 0 0 "[ . ]" 1
199 1 22 C H1' 1 22 C H3' 4.000 3.000 5.500 3.779 3.769 3.787 . 0 0 "[ . ]" 1
200 1 21 C H2' 1 22 C H1' 4.000 3.000 5.500 4.459 4.147 4.872 . 0 0 "[ . ]" 1
201 1 20 G H3' 1 21 C H5 3.000 . 4.200 3.546 2.882 3.784 . 0 0 "[ . ]" 1
202 1 20 G H2' 1 21 C H5 3.000 . 4.200 3.926 3.556 4.161 . 0 0 "[ . ]" 1
203 1 14 U H3 1 14 U H5 4.000 . 5.500 4.206 4.190 4.219 . 0 0 "[ . ]" 1
204 1 14 U H3 1 15 C H5 4.000 . 5.500 3.920 3.552 4.108 . 0 0 "[ . ]" 1
205 1 13 C H41 1 14 U H3 4.000 . 5.500 3.753 3.596 3.858 . 0 0 "[ . ]" 1
206 1 7 A H2 1 14 U H3 4.000 . 5.500 3.393 3.300 3.456 . 0 0 "[ . ]" 1
207 1 14 U H3 1 15 C H42 4.000 . 5.500 4.470 4.136 4.793 . 0 0 "[ . ]" 1
208 1 13 C H42 1 14 U H3 4.000 . 5.500 5.419 5.286 5.504 0.004 8 0 "[ . ]" 1
209 1 5 U H3 1 16 A H2 4.000 . 5.500 2.955 2.810 3.170 . 0 0 "[ . ]" 1
210 1 4 C H1' 1 20 G H1 4.000 . 5.500 4.397 3.541 5.285 . 0 0 "[ . ]" 1
211 1 20 G H1 1 21 C H1' 4.000 . 5.500 5.171 4.651 5.505 0.005 7 0 "[ . ]" 1
212 1 8 G H1 1 9 G H1' 4.000 . 5.500 5.248 4.351 5.506 0.006 4 0 "[ . ]" 1
213 1 8 G H1 1 8 G H21 4.000 . 5.500 2.152 2.135 2.174 . 0 0 "[ . ]" 1
214 1 8 G H1 1 13 C H41 4.000 . 5.500 1.923 1.810 2.186 . 0 0 "[ . ]" 1
215 1 7 A H2 1 8 G H1 4.000 . 5.500 5.025 4.842 5.333 . 0 0 "[ . ]" 1
216 1 8 G H1 1 8 G H22 4.000 . 5.500 3.404 3.390 3.416 . 0 0 "[ . ]" 1
217 1 8 G H1 1 13 C H42 4.000 . 5.500 3.377 3.246 3.728 . 0 0 "[ . ]" 1
218 1 17 G H1 1 17 G H21 4.000 . 5.500 2.117 2.077 2.142 . 0 0 "[ . ]" 1
219 1 4 C H41 1 17 G H1 4.000 . 5.500 2.130 1.884 2.251 . 0 0 "[ . ]" 1
220 1 4 C H42 1 17 G H1 4.000 . 5.500 3.707 3.490 3.791 . 0 0 "[ . ]" 1
221 1 6 G H1 1 6 G H21 4.000 . 5.500 2.222 2.202 2.246 . 0 0 "[ . ]" 1
222 1 6 G H1 1 15 C H41 4.000 . 5.500 2.512 2.021 2.885 . 0 0 "[ . ]" 1
223 1 6 G H1 1 6 G H22 4.000 . 5.500 3.466 3.451 3.491 . 0 0 "[ . ]" 1
224 1 6 G H1 1 15 C H42 4.000 . 5.500 4.061 3.608 4.402 . 0 0 "[ . ]" 1
225 1 9 G H1 1 9 G H22 4.000 . 5.500 3.475 3.444 3.502 . 0 0 "[ . ]" 1
226 1 9 G H1 1 9 G H21 4.000 . 5.500 2.237 2.182 2.284 . 0 0 "[ . ]" 1
227 1 9 G H1 1 13 C H42 4.000 . 5.500 3.359 2.810 4.965 . 0 0 "[ . ]" 1
228 1 8 G H21 1 13 C H42 4.000 . 5.500 5.098 4.984 5.478 . 0 0 "[ . ]" 1
229 1 4 C H42 1 17 G H21 4.000 . 5.500 5.439 5.173 5.510 0.010 5 0 "[ . ]" 1
230 1 8 G H21 1 13 C H41 4.000 . 5.500 3.951 3.830 4.212 . 0 0 "[ . ]" 1
231 1 4 C H41 1 17 G H21 4.000 . 5.500 4.106 3.852 4.271 . 0 0 "[ . ]" 1
232 1 12 A H2 1 13 C H5 4.000 . 5.500 5.548 5.541 5.559 0.059 9 0 "[ . ]" 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 9
_Distance_constraint_stats_list.Viol_count 21
_Distance_constraint_stats_list.Viol_total 3.128
_Distance_constraint_stats_list.Viol_max 0.061
_Distance_constraint_stats_list.Viol_rms 0.0107
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0043
_Distance_constraint_stats_list.Viol_average_violations_only 0.0165
_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 10 A 0.025 0.009 4 0 "[ . ]"
1 11 G 0.082 0.017 9 0 "[ . ]"
1 12 A 0.323 0.061 9 0 "[ . ]"
1 13 C 0.265 0.061 9 0 "[ . ]"
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 10 A H2 1 11 G H8 5.610 5.510 5.710 5.673 5.562 5.719 0.009 4 0 "[ . ]" 2
2 1 11 G H8 1 12 A H2 8.070 7.970 8.170 8.012 7.953 8.174 0.017 9 0 "[ . ]" 2
3 1 12 A H1' 1 13 C H6 4.250 3.000 5.500 4.511 4.259 4.759 . 0 0 "[ . ]" 2
4 1 12 A H8 1 13 C H1' 3.750 . 5.500 5.529 5.512 5.561 0.061 9 0 "[ . ]" 2
5 1 10 A H2 1 12 A H1' 7.000 5.500 57.000 7.135 6.929 7.506 . 0 0 "[ . ]" 2
6 1 10 A H8 1 12 A H8 7.000 5.500 57.000 8.624 8.472 8.867 . 0 0 "[ . ]" 2
7 1 10 A H2 1 12 A H2 7.000 5.500 57.000 9.716 9.126 10.435 . 0 0 "[ . ]" 2
8 1 10 A H1' 1 12 A H1' 7.000 5.500 57.000 10.144 9.897 10.354 . 0 0 "[ . ]" 2
9 1 10 A H1' 1 12 A H8 7.000 5.500 57.000 9.591 9.414 9.769 . 0 0 "[ . ]" 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 49
_Distance_constraint_stats_list.Viol_count 185
_Distance_constraint_stats_list.Viol_total 15.163
_Distance_constraint_stats_list.Viol_max 0.025
_Distance_constraint_stats_list.Viol_rms 0.0057
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0038
_Distance_constraint_stats_list.Viol_average_violations_only 0.0091
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 G 0.197 0.017 7 0 "[ . ]"
1 2 G 0.181 0.015 9 0 "[ . ]"
1 3 C 0.238 0.023 6 0 "[ . ]"
1 4 C 0.220 0.025 2 0 "[ . ]"
1 5 U 0.043 0.012 4 0 "[ . ]"
1 6 G 0.284 0.018 5 0 "[ . ]"
1 7 A 0.178 0.024 4 0 "[ . ]"
1 8 G 0.285 0.022 3 0 "[ . ]"
1 9 G 0.059 0.014 6 0 "[ . ]"
1 12 A 0.059 0.014 6 0 "[ . ]"
1 13 C 0.285 0.022 3 0 "[ . ]"
1 14 U 0.178 0.024 4 0 "[ . ]"
1 15 C 0.284 0.018 5 0 "[ . ]"
1 16 A 0.043 0.012 4 0 "[ . ]"
1 17 G 0.220 0.025 2 0 "[ . ]"
1 20 G 0.238 0.023 6 0 "[ . ]"
1 21 C 0.181 0.015 9 0 "[ . ]"
1 22 C 0.197 0.017 7 0 "[ . ]"
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 9 G H22 1 12 A N7 . . 2.700 2.650 2.314 2.714 0.014 6 0 "[ . ]" 3
2 1 9 G N3 1 12 A H61 4.000 . 5.500 3.290 2.715 3.647 . 0 0 "[ . ]" 3
3 1 1 G N1 1 22 C N3 2.910 2.810 3.010 2.993 2.936 3.011 0.001 4 0 "[ . ]" 3
4 1 1 G O6 1 22 C N4 2.710 2.610 2.810 2.811 2.796 2.824 0.014 5 0 "[ . ]" 3
5 1 1 G N2 1 22 C O2 3.080 2.980 3.180 3.091 2.999 3.147 . 0 0 "[ . ]" 3
6 1 1 G H1 1 22 C N3 1.890 . 1.990 1.995 1.964 2.007 0.017 7 0 "[ . ]" 3
7 1 1 G O6 1 22 C H41 1.710 . 1.810 1.819 1.816 1.821 0.011 7 0 "[ . ]" 3
8 1 1 G H21 1 22 C O2 2.080 . 2.180 2.131 2.031 2.184 0.004 5 0 "[ . ]" 3
9 1 2 G N1 1 21 C N3 2.910 2.810 3.010 2.950 2.920 2.987 . 0 0 "[ . ]" 3
10 1 2 G O6 1 21 C N4 2.710 2.610 2.810 2.818 2.813 2.825 0.015 9 0 "[ . ]" 3
11 1 2 G N2 1 21 C O2 3.080 2.980 3.180 3.007 2.971 3.061 0.009 3 0 "[ . ]" 3
12 1 2 G H1 1 21 C N3 1.890 . 1.990 1.978 1.944 2.001 0.011 7 0 "[ . ]" 3
13 1 2 G O6 1 21 C H41 1.710 . 1.810 1.817 1.812 1.824 0.014 4 0 "[ . ]" 3
14 1 2 G H21 1 21 C O2 2.080 . 2.180 2.064 1.986 2.174 . 0 0 "[ . ]" 3
15 1 3 C N3 1 20 G N1 2.910 2.810 3.010 2.970 2.927 3.004 . 0 0 "[ . ]" 3
16 1 3 C N4 1 20 G O6 2.710 2.610 2.810 2.804 2.728 2.826 0.016 5 0 "[ . ]" 3
17 1 3 C O2 1 20 G N2 3.080 2.980 3.180 3.054 2.975 3.127 0.005 1 0 "[ . ]" 3
18 1 3 C N3 1 20 G H1 1.890 . 1.990 1.990 1.958 2.002 0.012 7 0 "[ . ]" 3
19 1 3 C H41 1 20 G O6 1.710 . 1.810 1.823 1.813 1.833 0.023 6 0 "[ . ]" 3
20 1 3 C O2 1 20 G H21 2.080 . 2.180 2.121 1.974 2.185 0.006 1 0 "[ . ]" 3
21 1 4 C N3 1 17 G N1 2.910 2.810 3.010 2.972 2.954 2.997 . 0 0 "[ . ]" 3
22 1 4 C N4 1 17 G O6 2.710 2.610 2.810 2.806 2.768 2.826 0.016 4 0 "[ . ]" 3
23 1 4 C O2 1 17 G N2 3.080 2.980 3.180 3.067 2.976 3.162 0.004 2 0 "[ . ]" 3
24 1 4 C N3 1 17 G H1 1.890 . 1.990 1.980 1.951 2.001 0.011 8 0 "[ . ]" 3
25 1 4 C H41 1 17 G O6 1.710 . 1.810 1.827 1.817 1.835 0.025 2 0 "[ . ]" 3
26 1 4 C O2 1 17 G H21 2.080 . 2.180 2.090 2.004 2.189 0.009 4 0 "[ . ]" 3
27 1 6 G N1 1 15 C N3 2.910 2.810 3.010 2.970 2.943 3.003 . 0 0 "[ . ]" 3
28 1 6 G O6 1 15 C N4 2.710 2.610 2.810 2.816 2.813 2.819 0.009 8 0 "[ . ]" 3
29 1 6 G N2 1 15 C O2 3.080 2.980 3.180 2.973 2.965 2.977 0.015 6 0 "[ . ]" 3
30 1 6 G H1 1 15 C N3 1.890 . 1.990 1.975 1.937 2.001 0.011 6 0 "[ . ]" 3
31 1 6 G O6 1 15 C H41 1.710 . 1.810 1.823 1.815 1.828 0.018 5 0 "[ . ]" 3
32 1 6 G H21 1 15 C O2 2.080 . 2.180 1.982 1.971 2.017 0.009 5 0 "[ . ]" 3
33 1 8 G N1 1 13 C N3 2.910 2.810 3.010 2.995 2.986 3.003 . 0 0 "[ . ]" 3
34 1 8 G O6 1 13 C N4 2.710 2.610 2.810 2.757 2.743 2.773 . 0 0 "[ . ]" 3
35 1 8 G N2 1 13 C O2 3.080 2.980 3.180 3.157 3.132 3.191 0.011 9 0 "[ . ]" 3
36 1 8 G H1 1 13 C N3 1.890 . 1.990 2.000 1.996 2.005 0.015 1 0 "[ . ]" 3
37 1 8 G O6 1 13 C H41 1.710 . 1.810 1.818 1.771 1.832 0.022 3 0 "[ . ]" 3
38 1 8 G H21 1 13 C O2 2.080 . 2.180 2.188 2.179 2.193 0.013 2 0 "[ . ]" 3
39 1 5 U H3 1 16 A N1 1.930 . 2.030 1.978 1.930 2.028 . 0 0 "[ . ]" 3
40 1 5 U O4 1 16 A H61 1.820 . 1.920 1.918 1.887 1.932 0.012 4 0 "[ . ]" 3
41 1 5 U N3 1 16 A N1 2.950 2.850 3.050 2.967 2.891 3.035 . 0 0 "[ . ]" 3
42 1 5 U O4 1 16 A N6 2.830 2.730 2.930 2.901 2.861 2.929 . 0 0 "[ . ]" 3
43 1 7 A N1 1 14 U H3 1.930 . 2.030 2.048 2.040 2.054 0.024 4 0 "[ . ]" 3
44 1 7 A H61 1 14 U O4 1.820 . 1.920 1.872 1.843 1.927 0.007 9 0 "[ . ]" 3
45 1 7 A N1 1 14 U N3 2.950 2.850 3.050 3.044 3.029 3.057 0.007 4 0 "[ . ]" 3
46 1 7 A N6 1 14 U O4 2.830 2.730 2.930 2.838 2.806 2.911 . 0 0 "[ . ]" 3
47 1 9 G N3 1 12 A H62 2.000 . 2.700 2.063 1.954 2.209 . 0 0 "[ . ]" 3
48 1 9 G N3 1 12 A N6 3.000 2.500 3.700 2.954 2.734 3.094 . 0 0 "[ . ]" 3
49 1 9 G N2 1 12 A N7 3.000 2.500 3.700 3.579 3.220 3.696 . 0 0 "[ . ]" 3
stop_
save_
Contact the webmaster for help, if required. Monday, June 24, 2024 11:51:43 AM GMT (wattos1)