NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
448900 |
2o8k   |
15083 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2o8k
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 153
_Distance_constraint_stats_list.Viol_count 812
_Distance_constraint_stats_list.Viol_total 2188.596
_Distance_constraint_stats_list.Viol_max 0.390
_Distance_constraint_stats_list.Viol_rms 0.0739
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0358
_Distance_constraint_stats_list.Viol_average_violations_only 0.1348
_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
2 1 DG 7.651 0.241 19 0 "[ . 1 . 2]"
2 2 DA 14.934 0.277 5 0 "[ . 1 . 2]"
2 3 DA 26.484 0.365 12 0 "[ . 1 . 2]"
2 4 DA 23.126 0.365 12 0 "[ . 1 . 2]"
2 5 DC 17.363 0.323 14 0 "[ . 1 . 2]"
2 6 DG 6.935 0.246 3 0 "[ . 1 . 2]"
2 7 DT 5.994 0.390 14 0 "[ . 1 . 2]"
2 8 DG 10.879 0.390 14 0 "[ . 1 . 2]"
2 9 DC 7.416 0.232 20 0 "[ . 1 . 2]"
2 10 DC 9.341 0.232 20 0 "[ . 1 . 2]"
2 11 DA 6.628 0.322 3 0 "[ . 1 . 2]"
2 12 DA 12.738 0.322 3 0 "[ . 1 . 2]"
2 13 DA 12.706 0.229 3 0 "[ . 1 . 2]"
2 14 DA 9.058 0.216 3 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 2 1 DG H1' 2 1 DG Q2' 2.900 . 2.900 2.190 2.178 2.197 . 0 0 "[ . 1 . 2]" 1
2 2 1 DG H1' 2 1 DG H3' 5.000 . 5.000 3.877 3.868 3.886 . 0 0 "[ . 1 . 2]" 1
3 2 1 DG H1' 2 1 DG H4' 5.000 . 5.000 3.328 3.304 3.349 . 0 0 "[ . 1 . 2]" 1
4 2 1 DG H1' 2 1 DG H8 5.000 . 5.000 3.781 3.765 3.795 . 0 0 "[ . 1 . 2]" 1
5 2 1 DG H1' 2 2 DA H8 5.000 . 5.000 5.045 5.012 5.078 0.078 20 0 "[ . 1 . 2]" 1
6 2 1 DG Q2' 2 1 DG H8 3.300 . 3.300 3.517 3.496 3.541 0.241 19 0 "[ . 1 . 2]" 1
7 2 1 DG Q2' 2 2 DA H8 3.300 . 3.300 2.326 2.262 2.449 . 0 0 "[ . 1 . 2]" 1
8 2 1 DG H3' 2 1 DG H8 2.900 . 2.900 2.855 2.796 2.885 . 0 0 "[ . 1 . 2]" 1
9 2 1 DG H3' 2 2 DA H8 3.300 . 3.300 3.339 3.304 3.367 0.067 4 0 "[ . 1 . 2]" 1
10 2 1 DG H4' 2 1 DG H8 5.000 . 5.000 4.199 4.183 4.210 . 0 0 "[ . 1 . 2]" 1
11 2 1 DG Q5' 2 1 DG H8 3.300 . 3.300 3.382 3.356 3.402 0.102 9 0 "[ . 1 . 2]" 1
12 2 2 DA H1' 2 2 DA H2 5.000 . 5.000 4.724 4.696 4.760 . 0 0 "[ . 1 . 2]" 1
13 2 2 DA H1' 2 2 DA Q2' 2.900 . 2.900 2.185 2.176 2.194 . 0 0 "[ . 1 . 2]" 1
14 2 2 DA H1' 2 2 DA H3' 5.000 . 5.000 3.895 3.879 3.917 . 0 0 "[ . 1 . 2]" 1
15 2 2 DA H1' 2 2 DA H4' 5.000 . 5.000 3.155 3.013 3.235 . 0 0 "[ . 1 . 2]" 1
16 2 2 DA H1' 2 2 DA H8 3.800 . 3.800 3.764 3.748 3.778 . 0 0 "[ . 1 . 2]" 1
17 2 2 DA H1' 2 3 DA H8 5.000 . 5.000 4.809 4.629 4.892 . 0 0 "[ . 1 . 2]" 1
18 2 2 DA H2 2 3 DA H2 2.900 . 2.900 3.143 3.089 3.177 0.277 5 0 "[ . 1 . 2]" 1
19 2 2 DA Q2' 2 2 DA H8 3.300 . 3.300 3.520 3.421 3.575 0.275 4 0 "[ . 1 . 2]" 1
20 2 2 DA Q2' 2 3 DA H8 3.300 . 3.300 2.150 2.119 2.171 . 0 0 "[ . 1 . 2]" 1
21 2 2 DA H3' 2 2 DA H8 3.300 . 3.300 3.131 2.987 3.359 0.059 7 0 "[ . 1 . 2]" 1
22 2 2 DA H4' 2 2 DA H8 5.000 . 5.000 4.339 4.272 4.455 . 0 0 "[ . 1 . 2]" 1
23 2 2 DA H4' 2 3 DA H8 5.500 . 5.500 5.689 5.646 5.709 0.209 9 0 "[ . 1 . 2]" 1
24 2 3 DA H1' 2 3 DA H2 5.000 . 5.000 4.580 4.543 4.611 . 0 0 "[ . 1 . 2]" 1
25 2 3 DA H1' 2 3 DA Q2' 2.900 . 2.900 2.161 2.147 2.174 . 0 0 "[ . 1 . 2]" 1
26 2 3 DA H1' 2 3 DA H3' 5.000 . 5.000 3.875 3.864 3.884 . 0 0 "[ . 1 . 2]" 1
27 2 3 DA H1' 2 3 DA H4' 2.900 . 2.900 3.044 2.990 3.094 0.194 6 0 "[ . 1 . 2]" 1
28 2 3 DA H1' 2 3 DA Q5' 5.000 . 5.000 4.266 4.252 4.284 . 0 0 "[ . 1 . 2]" 1
29 2 3 DA H1' 2 3 DA H8 5.000 . 5.000 3.834 3.814 3.851 . 0 0 "[ . 1 . 2]" 1
30 2 3 DA H1' 2 4 DA H8 4.500 . 4.500 4.781 4.752 4.865 0.365 12 0 "[ . 1 . 2]" 1
31 2 3 DA H2 2 4 DA H2 3.300 . 3.300 3.545 3.476 3.587 0.287 15 0 "[ . 1 . 2]" 1
32 2 3 DA Q2' 2 3 DA H8 3.300 . 3.300 3.375 3.322 3.403 0.103 16 0 "[ . 1 . 2]" 1
33 2 3 DA Q2' 2 4 DA H8 3.300 . 3.300 2.100 2.079 2.137 . 0 0 "[ . 1 . 2]" 1
34 2 3 DA H3' 2 3 DA H8 3.300 . 3.300 3.043 2.902 3.250 . 0 0 "[ . 1 . 2]" 1
35 2 3 DA H3' 2 4 DA H8 3.300 . 3.300 3.446 3.408 3.483 0.183 13 0 "[ . 1 . 2]" 1
36 2 3 DA H4' 2 3 DA H8 5.000 . 5.000 4.443 4.362 4.541 . 0 0 "[ . 1 . 2]" 1
37 2 4 DA H1' 2 4 DA H2 5.000 . 5.000 4.496 4.462 4.526 . 0 0 "[ . 1 . 2]" 1
38 2 4 DA H1' 2 4 DA Q2' 2.900 . 2.900 2.183 2.170 2.198 . 0 0 "[ . 1 . 2]" 1
39 2 4 DA H1' 2 4 DA H4' 2.900 . 2.900 2.957 2.908 3.128 0.228 13 0 "[ . 1 . 2]" 1
40 2 4 DA H1' 2 4 DA H8 5.000 . 5.000 3.868 3.852 3.887 . 0 0 "[ . 1 . 2]" 1
41 2 4 DA H1' 2 5 DC H5 5.000 . 5.000 4.612 4.423 4.835 . 0 0 "[ . 1 . 2]" 1
42 2 4 DA H1' 2 5 DC H6 3.800 . 3.800 4.048 3.941 4.123 0.323 14 0 "[ . 1 . 2]" 1
43 2 4 DA Q2' 2 4 DA H8 2.900 . 2.900 2.941 2.587 3.064 0.164 6 0 "[ . 1 . 2]" 1
44 2 4 DA Q2' 2 5 DC H6 3.300 . 3.300 1.976 1.930 2.072 . 0 0 "[ . 1 . 2]" 1
45 2 4 DA H3' 2 4 DA H8 3.300 . 3.300 3.397 3.314 3.579 0.279 13 0 "[ . 1 . 2]" 1
46 2 4 DA H3' 2 5 DC H6 5.000 . 5.000 3.988 3.882 4.231 . 0 0 "[ . 1 . 2]" 1
47 2 4 DA H4' 2 4 DA H8 5.000 . 5.000 4.622 4.589 4.651 . 0 0 "[ . 1 . 2]" 1
48 2 5 DC H1' 2 5 DC Q2' 2.900 . 2.900 2.175 2.167 2.187 . 0 0 "[ . 1 . 2]" 1
49 2 5 DC H1' 2 5 DC H3' 5.000 . 5.000 3.877 3.845 3.928 . 0 0 "[ . 1 . 2]" 1
50 2 5 DC H1' 2 5 DC H5 5.000 . 5.000 5.264 5.216 5.290 0.290 19 0 "[ . 1 . 2]" 1
51 2 5 DC H1' 2 5 DC H6 5.000 . 5.000 3.529 3.450 3.557 . 0 0 "[ . 1 . 2]" 1
52 2 5 DC H1' 2 6 DG H8 5.000 . 5.000 5.198 5.098 5.246 0.246 3 0 "[ . 1 . 2]" 1
53 2 5 DC Q2' 2 5 DC H5 5.000 . 5.000 4.886 4.827 4.977 . 0 0 "[ . 1 . 2]" 1
54 2 5 DC Q2' 2 5 DC H6 3.300 . 3.300 3.411 3.340 3.524 0.224 3 0 "[ . 1 . 2]" 1
55 2 5 DC Q2' 2 6 DG H8 3.300 . 3.300 2.409 2.351 2.476 . 0 0 "[ . 1 . 2]" 1
56 2 5 DC H3' 2 5 DC H6 3.300 . 3.300 2.931 2.753 3.381 0.081 14 0 "[ . 1 . 2]" 1
57 2 5 DC H3' 2 6 DG H8 5.000 . 5.000 2.957 2.646 3.109 . 0 0 "[ . 1 . 2]" 1
58 2 5 DC H41 2 5 DC H42 2.900 . 2.900 1.758 1.755 1.761 0.045 9 0 "[ . 1 . 2]" 1
59 2 5 DC H42 2 5 DC H5 2.900 . 2.900 2.429 2.408 2.451 . 0 0 "[ . 1 . 2]" 1
60 2 5 DC H5 2 5 DC H6 2.900 . 2.900 2.436 2.428 2.442 . 0 0 "[ . 1 . 2]" 1
61 2 6 DG H1 2 6 DG Q2 2.900 . 2.900 2.194 2.186 2.207 . 0 0 "[ . 1 . 2]" 1
62 2 6 DG H1 2 7 DT H3 3.300 . 3.300 3.449 3.406 3.510 0.210 17 0 "[ . 1 . 2]" 1
63 2 6 DG H1' 2 6 DG Q2' 3.300 . 3.300 2.226 2.208 2.240 . 0 0 "[ . 1 . 2]" 1
64 2 6 DG H1' 2 6 DG H3' 5.000 . 5.000 3.940 3.903 3.981 . 0 0 "[ . 1 . 2]" 1
65 2 6 DG H1' 2 6 DG H4' 5.000 . 5.000 3.385 2.764 3.481 . 0 0 "[ . 1 . 2]" 1
66 2 6 DG H1' 2 6 DG H8 5.000 . 5.000 3.890 3.870 3.907 . 0 0 "[ . 1 . 2]" 1
67 2 6 DG H1' 2 7 DT H6 5.000 . 5.000 3.950 3.754 4.327 . 0 0 "[ . 1 . 2]" 1
68 2 6 DG H1' 2 7 DT M7 5.000 . 5.000 4.156 3.967 4.371 . 0 0 "[ . 1 . 2]" 1
69 2 6 DG Q2' 2 6 DG H8 3.300 . 3.300 2.372 2.261 2.947 . 0 0 "[ . 1 . 2]" 1
70 2 6 DG Q2' 2 7 DT H6 5.000 . 5.000 2.253 2.150 2.396 . 0 0 "[ . 1 . 2]" 1
71 2 6 DG H3' 2 6 DG H8 5.000 . 5.000 3.996 3.661 4.149 . 0 0 "[ . 1 . 2]" 1
72 2 6 DG H3' 2 7 DT H6 5.000 . 5.000 4.679 4.223 4.789 . 0 0 "[ . 1 . 2]" 1
73 2 6 DG H8 2 7 DT M7 3.300 . 3.300 2.699 2.483 2.912 . 0 0 "[ . 1 . 2]" 1
74 2 7 DT H1' 2 7 DT Q2' 3.300 . 3.300 2.214 2.162 2.236 . 0 0 "[ . 1 . 2]" 1
75 2 7 DT H1' 2 7 DT H3' 5.000 . 5.000 3.909 3.879 3.943 . 0 0 "[ . 1 . 2]" 1
76 2 7 DT H1' 2 7 DT H4' 3.300 . 3.300 3.113 2.804 3.227 . 0 0 "[ . 1 . 2]" 1
77 2 7 DT H1' 2 7 DT H6 5.000 . 5.000 3.753 3.705 3.774 . 0 0 "[ . 1 . 2]" 1
78 2 7 DT H1' 2 8 DG H8 3.300 . 3.300 3.446 3.342 3.690 0.390 14 0 "[ . 1 . 2]" 1
79 2 7 DT Q2' 2 7 DT H6 3.300 . 3.300 2.215 2.047 2.916 . 0 0 "[ . 1 . 2]" 1
80 2 7 DT Q2' 2 8 DG H8 5.000 . 5.000 2.144 1.912 2.260 . 0 0 "[ . 1 . 2]" 1
81 2 7 DT H3 2 8 DG H1 5.000 . 5.000 4.621 3.857 5.038 0.038 3 0 "[ . 1 . 2]" 1
82 2 7 DT H3' 2 7 DT H6 5.000 . 5.000 3.730 3.269 3.943 . 0 0 "[ . 1 . 2]" 1
83 2 7 DT H3' 2 8 DG H8 5.000 . 5.000 4.720 4.150 4.927 . 0 0 "[ . 1 . 2]" 1
84 2 7 DT H6 2 7 DT M7 3.300 . 3.300 2.248 2.190 2.363 . 0 0 "[ . 1 . 2]" 1
85 2 8 DG H1 2 8 DG Q2 2.900 . 2.900 2.198 2.187 2.217 . 0 0 "[ . 1 . 2]" 1
86 2 8 DG H1' 2 8 DG Q2' 2.900 . 2.900 2.201 2.186 2.216 . 0 0 "[ . 1 . 2]" 1
87 2 8 DG H1' 2 8 DG H3' 5.000 . 5.000 3.909 3.890 3.938 . 0 0 "[ . 1 . 2]" 1
88 2 8 DG H1' 2 8 DG H4' 3.300 . 3.300 3.146 2.887 3.283 . 0 0 "[ . 1 . 2]" 1
89 2 8 DG H1' 2 8 DG H8 5.000 . 5.000 3.810 3.774 3.863 . 0 0 "[ . 1 . 2]" 1
90 2 8 DG H1' 2 9 DC H5 5.000 . 5.000 5.138 5.053 5.227 0.227 6 0 "[ . 1 . 2]" 1
91 2 8 DG H1' 2 9 DC H6 5.000 . 5.000 4.728 4.427 4.917 . 0 0 "[ . 1 . 2]" 1
92 2 8 DG Q2' 2 8 DG H8 2.900 . 2.900 3.153 2.994 3.243 0.343 9 0 "[ . 1 . 2]" 1
93 2 8 DG Q2' 2 9 DC H5 3.300 . 3.300 2.898 2.325 3.296 . 0 0 "[ . 1 . 2]" 1
94 2 8 DG Q2' 2 9 DC H6 3.300 . 3.300 2.152 2.106 2.193 . 0 0 "[ . 1 . 2]" 1
95 2 8 DG H3' 2 8 DG H8 3.300 . 3.300 2.829 2.596 3.325 0.025 18 0 "[ . 1 . 2]" 1
96 2 8 DG H3' 2 9 DC H6 5.000 . 5.000 3.470 3.058 3.949 . 0 0 "[ . 1 . 2]" 1
97 2 8 DG H4' 2 8 DG H8 5.000 . 5.000 4.339 4.211 4.513 . 0 0 "[ . 1 . 2]" 1
98 2 8 DG H8 2 9 DC H5 5.000 . 5.000 3.398 2.741 4.314 . 0 0 "[ . 1 . 2]" 1
99 2 9 DC H1' 2 9 DC Q2' 3.300 . 3.300 2.194 2.187 2.199 . 0 0 "[ . 1 . 2]" 1
100 2 9 DC H1' 2 9 DC H6 5.000 . 5.000 3.648 3.620 3.682 . 0 0 "[ . 1 . 2]" 1
101 2 9 DC H1' 2 10 DC H5 5.000 . 5.000 5.153 5.081 5.232 0.232 20 0 "[ . 1 . 2]" 1
102 2 9 DC H1' 2 10 DC H6 5.000 . 5.000 4.492 4.181 4.856 . 0 0 "[ . 1 . 2]" 1
103 2 9 DC Q2' 2 9 DC H5 5.000 . 5.000 4.780 4.573 4.937 . 0 0 "[ . 1 . 2]" 1
104 2 9 DC Q2' 2 9 DC H6 3.300 . 3.300 3.175 2.898 3.408 0.108 14 0 "[ . 1 . 2]" 1
105 2 9 DC Q2' 2 10 DC H6 3.300 . 3.300 2.123 2.057 2.197 . 0 0 "[ . 1 . 2]" 1
106 2 9 DC H3' 2 9 DC H6 3.300 . 3.300 2.877 2.375 3.203 . 0 0 "[ . 1 . 2]" 1
107 2 9 DC H3' 2 10 DC H5 5.000 . 5.000 4.061 3.638 4.398 . 0 0 "[ . 1 . 2]" 1
108 2 9 DC H3' 2 10 DC H6 5.000 . 5.000 3.803 3.306 4.104 . 0 0 "[ . 1 . 2]" 1
109 2 9 DC H41 2 9 DC H42 2.900 . 2.900 1.749 1.746 1.752 0.054 3 0 "[ . 1 . 2]" 1
110 2 9 DC H42 2 9 DC H5 5.000 . 5.000 2.420 2.396 2.443 . 0 0 "[ . 1 . 2]" 1
111 2 9 DC H5 2 9 DC H6 2.900 . 2.900 2.446 2.433 2.455 . 0 0 "[ . 1 . 2]" 1
112 2 9 DC H5 2 10 DC H42 5.000 . 5.000 3.958 3.062 4.467 . 0 0 "[ . 1 . 2]" 1
113 2 9 DC H5 2 10 DC H5 5.000 . 5.000 4.306 3.284 5.007 0.007 11 0 "[ . 1 . 2]" 1
114 2 10 DC Q2' 2 10 DC H5 5.000 . 5.000 4.662 4.624 4.712 . 0 0 "[ . 1 . 2]" 1
115 2 10 DC Q2' 2 10 DC H6 2.900 . 2.900 3.061 3.029 3.119 0.219 17 0 "[ . 1 . 2]" 1
116 2 10 DC Q2' 2 11 DA H8 5.000 . 5.000 2.217 2.198 2.245 . 0 0 "[ . 1 . 2]" 1
117 2 10 DC H3' 2 10 DC H5 5.000 . 5.000 4.970 4.797 5.060 0.060 12 0 "[ . 1 . 2]" 1
118 2 10 DC H3' 2 10 DC H6 3.300 . 3.300 2.759 2.614 2.849 . 0 0 "[ . 1 . 2]" 1
119 2 10 DC H3' 2 11 DA H8 3.300 . 3.300 3.369 3.324 3.415 0.115 20 0 "[ . 1 . 2]" 1
120 2 10 DC H41 2 10 DC H42 2.900 . 2.900 1.734 1.728 1.742 0.072 19 0 "[ . 1 . 2]" 1
121 2 10 DC H42 2 10 DC H5 3.300 . 3.300 2.293 2.278 2.316 . 0 0 "[ . 1 . 2]" 1
122 2 10 DC H5 2 10 DC H6 2.900 . 2.900 2.459 2.451 2.474 . 0 0 "[ . 1 . 2]" 1
123 2 11 DA H1' 2 11 DA H8 5.000 . 5.000 3.835 3.825 3.841 . 0 0 "[ . 1 . 2]" 1
124 2 11 DA H2 2 12 DA H2 3.300 . 3.300 3.563 3.507 3.622 0.322 3 0 "[ . 1 . 2]" 1
125 2 12 DA H1' 2 12 DA Q2' 3.300 . 3.300 2.198 2.193 2.204 . 0 0 "[ . 1 . 2]" 1
126 2 12 DA H1' 2 12 DA H3' 3.800 . 3.800 3.866 3.830 3.885 0.085 11 0 "[ . 1 . 2]" 1
127 2 12 DA H1' 2 12 DA H4' 5.000 . 5.000 3.301 3.208 3.461 . 0 0 "[ . 1 . 2]" 1
128 2 12 DA H1' 2 12 DA Q5' 5.000 . 5.000 4.369 4.343 4.407 . 0 0 "[ . 1 . 2]" 1
129 2 12 DA H1' 2 12 DA H8 5.000 . 5.000 3.861 3.850 3.875 . 0 0 "[ . 1 . 2]" 1
130 2 12 DA H1' 2 13 DA H8 5.000 . 5.000 5.064 5.018 5.148 0.148 14 0 "[ . 1 . 2]" 1
131 2 12 DA H2 2 13 DA H2 5.000 . 5.000 5.185 5.138 5.229 0.229 3 0 "[ . 1 . 2]" 1
132 2 12 DA Q2' 2 12 DA H8 3.300 . 3.300 3.359 3.313 3.412 0.112 20 0 "[ . 1 . 2]" 1
133 2 12 DA Q2' 2 13 DA H8 5.000 . 5.000 2.433 2.346 2.517 . 0 0 "[ . 1 . 2]" 1
134 2 12 DA H3' 2 12 DA H8 5.000 . 5.000 2.605 2.292 2.790 . 0 0 "[ . 1 . 2]" 1
135 2 12 DA H4' 2 12 DA H8 5.000 . 5.000 4.284 4.101 4.381 . 0 0 "[ . 1 . 2]" 1
136 2 13 DA H1' 2 13 DA H2 5.000 . 5.000 4.534 4.483 4.559 . 0 0 "[ . 1 . 2]" 1
137 2 13 DA H1' 2 13 DA Q2' 2.900 . 2.900 2.211 2.198 2.219 . 0 0 "[ . 1 . 2]" 1
138 2 13 DA H1' 2 13 DA H3' 5.000 . 5.000 3.934 3.905 3.979 . 0 0 "[ . 1 . 2]" 1
139 2 13 DA H1' 2 13 DA H4' 3.300 . 3.300 3.032 2.795 3.452 0.152 14 0 "[ . 1 . 2]" 1
140 2 13 DA H1' 2 13 DA H8 5.000 . 5.000 3.872 3.851 3.899 . 0 0 "[ . 1 . 2]" 1
141 2 13 DA H1' 2 14 DA H8 3.800 . 3.800 3.877 3.653 3.986 0.186 19 0 "[ . 1 . 2]" 1
142 2 13 DA H2 2 14 DA H2 3.300 . 3.300 3.474 3.420 3.516 0.216 3 0 "[ . 1 . 2]" 1
143 2 13 DA Q2' 2 13 DA H8 2.900 . 2.900 2.848 2.471 3.006 0.106 3 0 "[ . 1 . 2]" 1
144 2 13 DA Q2' 2 14 DA H8 3.300 . 3.300 2.057 1.985 2.210 . 0 0 "[ . 1 . 2]" 1
145 2 13 DA H3' 2 13 DA H8 5.000 . 5.000 3.726 3.586 3.971 . 0 0 "[ . 1 . 2]" 1
146 2 13 DA H3' 2 14 DA H8 5.000 . 5.000 4.291 4.133 4.642 . 0 0 "[ . 1 . 2]" 1
147 2 13 DA H4' 2 13 DA H8 5.000 . 5.000 4.642 4.601 4.666 . 0 0 "[ . 1 . 2]" 1
148 2 14 DA H1' 2 14 DA H2 5.000 . 5.000 4.521 4.439 4.570 . 0 0 "[ . 1 . 2]" 1
149 2 14 DA H1' 2 14 DA Q2' 2.900 . 2.900 2.212 2.207 2.216 . 0 0 "[ . 1 . 2]" 1
150 2 14 DA H1' 2 14 DA H3' 5.000 . 5.000 3.918 3.895 3.932 . 0 0 "[ . 1 . 2]" 1
151 2 14 DA H1' 2 14 DA H8 3.800 . 3.800 3.836 3.815 3.879 0.079 14 0 "[ . 1 . 2]" 1
152 2 14 DA Q2' 2 14 DA H8 2.900 . 2.900 3.008 2.891 3.070 0.170 10 0 "[ . 1 . 2]" 1
153 2 14 DA H3' 2 14 DA H8 3.300 . 3.300 3.314 3.253 3.372 0.072 20 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Friday, May 10, 2024 9:04:59 PM GMT (wattos1)