NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
636929 |
6fc9   |
34221 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6fc9
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 215
_Distance_constraint_stats_list.Viol_count 539
_Distance_constraint_stats_list.Viol_total 785.966
_Distance_constraint_stats_list.Viol_max 0.773
_Distance_constraint_stats_list.Viol_rms 0.0964
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0366
_Distance_constraint_stats_list.Viol_average_violations_only 0.1458
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 DG 0.672 0.065 5 0 "[ . 1]"
1 2 DG 6.655 0.773 10 4 "[ * -. * +]"
1 3 DT 7.475 0.536 4 8 "[ **+-** **]"
1 4 DT 7.384 0.773 10 4 "[ * -. * +]"
1 5 DG 4.422 0.243 10 0 "[ . 1]"
1 6 DG 3.454 0.241 10 0 "[ . 1]"
1 7 DC 2.320 0.309 2 0 "[ . 1]"
1 8 DG 0.172 0.046 8 0 "[ . 1]"
1 9 DC 0.236 0.065 8 0 "[ . 1]"
1 10 DG 0.336 0.077 3 0 "[ . 1]"
1 11 DA 7.137 0.677 2 10 [*+-*******]
1 12 DA 3.079 0.189 10 0 "[ . 1]"
1 13 DG 3.639 0.159 5 0 "[ . 1]"
1 14 DC 6.274 0.304 10 0 "[ . 1]"
1 15 DA 5.413 0.455 3 0 "[ . 1]"
1 16 DT 1.219 0.103 6 0 "[ . 1]"
1 17 DT 0.366 0.063 10 0 "[ . 1]"
1 18 DC 1.736 0.247 6 0 "[ . 1]"
1 19 DG 0.713 0.141 10 0 "[ . 1]"
1 20 DC 1.344 0.141 10 0 "[ . 1]"
1 21 DG 4.316 0.304 5 0 "[ . 1]"
1 22 DG 5.122 0.220 2 0 "[ . 1]"
1 23 DG 9.879 0.635 8 5 "[ * *- + *]"
1 24 DT 7.667 0.577 2 2 "[ + . - 1]"
1 25 DT 10.694 0.635 8 5 "[ * *- + *]"
1 26 DG 4.184 0.166 5 0 "[ . 1]"
1 27 DG 6.106 0.247 1 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 DG H1 1 5 DG H1 . . 4.000 3.357 3.281 3.485 . 0 0 "[ . 1]" 1
2 1 1 DG H1' 1 1 DG H8 . . 2.500 2.539 2.522 2.548 0.048 6 0 "[ . 1]" 1
3 1 1 DG H1' 1 2 DG H8 . . 5.000 4.317 4.223 4.466 . 0 0 "[ . 1]" 1
4 1 1 DG H2' 1 1 DG H8 . . 5.000 4.452 4.394 4.498 . 0 0 "[ . 1]" 1
5 1 1 DG H2' 1 2 DG H8 . . 4.000 2.912 2.795 3.104 . 0 0 "[ . 1]" 1
6 1 1 DG H2'' 1 1 DG H8 . . 4.000 3.874 3.803 3.971 . 0 0 "[ . 1]" 1
7 1 1 DG H2'' 1 2 DG H8 . . 4.000 2.333 2.270 2.505 . 0 0 "[ . 1]" 1
8 1 1 DG H8 1 2 DG H1' . . 5.500 3.905 3.761 4.117 . 0 0 "[ . 1]" 1
9 1 1 DG H8 1 2 DG H8 . . 5.500 4.642 4.472 4.820 . 0 0 "[ . 1]" 1
10 1 1 DG H8 1 27 DG H1 . . 5.000 5.020 4.951 5.065 0.065 5 0 "[ . 1]" 1
11 1 1 DG H8 1 27 DG H21 . . 5.000 3.042 2.966 3.101 . 0 0 "[ . 1]" 1
12 1 2 DG H1 1 26 DG H8 . . 5.000 5.070 5.023 5.126 0.126 8 0 "[ . 1]" 1
13 1 2 DG H1 1 27 DG H1 . . 4.000 3.335 3.222 3.476 . 0 0 "[ . 1]" 1
14 1 2 DG H1' 1 2 DG H8 . . 4.000 3.888 3.868 3.898 . 0 0 "[ . 1]" 1
15 1 2 DG H1' 1 3 DT C7 . . 4.000 3.092 2.925 3.215 . 0 0 "[ . 1]" 1
16 1 2 DG H1' 1 3 DT H6 . . 4.000 3.945 3.874 3.987 . 0 0 "[ . 1]" 1
17 1 2 DG H1' 1 4 DT C7 . . 4.000 4.471 3.985 4.773 0.773 10 4 "[ * -. * +]" 1
18 1 2 DG H2' 1 2 DG H8 . . 4.000 2.232 2.185 2.271 . 0 0 "[ . 1]" 1
19 1 2 DG H2' 1 3 DT H6 . . 4.000 3.926 3.627 4.039 0.039 3 0 "[ . 1]" 1
20 1 2 DG H2'' 1 2 DG H8 . . 4.000 3.453 3.311 3.548 . 0 0 "[ . 1]" 1
21 1 2 DG H2'' 1 3 DT H6 . . 5.000 2.289 2.223 2.382 . 0 0 "[ . 1]" 1
22 1 2 DG H8 1 3 DT C7 . . 6.000 5.946 5.609 6.199 0.199 6 0 "[ . 1]" 1
23 1 2 DG H8 1 3 DT H6 . . 5.500 5.277 4.667 5.512 0.012 5 0 "[ . 1]" 1
24 1 2 DG H8 1 4 DT C7 . . 5.000 4.075 3.894 4.212 . 0 0 "[ . 1]" 1
25 1 2 DG H8 1 4 DT H6 . . 5.000 3.577 3.500 3.680 . 0 0 "[ . 1]" 1
26 1 2 DG H8 1 5 DG H1 . . 5.000 5.068 5.007 5.125 0.125 3 0 "[ . 1]" 1
27 1 3 DT C7 1 3 DT H1' . . 6.500 5.731 5.618 5.756 . 0 0 "[ . 1]" 1
28 1 3 DT C7 1 4 DT H6 . . 6.500 6.352 6.187 6.479 . 0 0 "[ . 1]" 1
29 1 3 DT H1' 1 3 DT H6 . . 3.000 3.507 3.403 3.536 0.536 4 8 "[ **+-** **]" 1
30 1 3 DT H1' 1 4 DT C7 . . 5.000 5.061 4.991 5.158 0.158 4 0 "[ . 1]" 1
31 1 3 DT H1' 1 4 DT H6 . . 5.500 5.574 5.533 5.624 0.124 8 0 "[ . 1]" 1
32 1 3 DT H2' 1 3 DT H6 . . 4.000 2.742 2.161 2.992 . 0 0 "[ . 1]" 1
33 1 3 DT H2' 1 4 DT H6 . . 4.000 2.922 2.816 3.139 . 0 0 "[ . 1]" 1
34 1 3 DT H2'' 1 3 DT H6 . . 4.000 3.917 3.643 4.039 0.039 1 0 "[ . 1]" 1
35 1 3 DT H2'' 1 4 DT H6 . . 5.000 4.041 3.958 4.188 . 0 0 "[ . 1]" 1
36 1 3 DT H6 1 4 DT C7 . . 5.000 3.499 2.796 3.783 . 0 0 "[ . 1]" 1
37 1 3 DT H6 1 4 DT H6 . . 5.000 4.941 4.336 5.107 0.107 10 0 "[ . 1]" 1
38 1 4 DT H1' 1 4 DT H6 . . 3.500 3.587 3.574 3.602 0.102 2 0 "[ . 1]" 1
39 1 4 DT H2' 1 4 DT H6 . . 3.000 2.315 2.184 2.448 . 0 0 "[ . 1]" 1
40 1 4 DT H2' 1 5 DG H1 . . 5.000 4.263 3.896 4.430 . 0 0 "[ . 1]" 1
41 1 4 DT H2'' 1 4 DT H6 . . 4.000 3.681 3.587 3.757 . 0 0 "[ . 1]" 1
42 1 4 DT H3 1 5 DG H1 . . 4.000 3.634 3.405 3.864 . 0 0 "[ . 1]" 1
43 1 4 DT H3 1 23 DG H1 . . 5.000 4.574 4.406 4.856 . 0 0 "[ . 1]" 1
44 1 5 DG H1' 1 5 DG H8 . . 2.500 2.463 2.429 2.491 . 0 0 "[ . 1]" 1
45 1 5 DG H1' 1 6 DG H8 . . 4.000 4.147 4.110 4.187 0.187 4 0 "[ . 1]" 1
46 1 5 DG H2' 1 5 DG H8 . . 4.000 4.227 4.197 4.243 0.243 10 0 "[ . 1]" 1
47 1 5 DG H2' 1 6 DG H8 . . 4.000 2.491 2.332 2.738 . 0 0 "[ . 1]" 1
48 1 5 DG H2'' 1 5 DG H8 . . 4.000 3.534 3.407 3.625 . 0 0 "[ . 1]" 1
49 1 5 DG H2'' 1 6 DG H8 . . 4.000 2.176 2.129 2.244 . 0 0 "[ . 1]" 1
50 1 5 DG H8 1 6 DG H1' . . 5.000 3.834 3.709 3.935 . 0 0 "[ . 1]" 1
51 1 5 DG H8 1 6 DG H8 . . 5.500 4.252 4.170 4.343 . 0 0 "[ . 1]" 1
52 1 6 DG H1 1 23 DG H1 . . 4.000 3.467 3.316 3.640 . 0 0 "[ . 1]" 1
53 1 6 DG H1' 1 6 DG H8 . . 4.000 3.822 3.815 3.831 . 0 0 "[ . 1]" 1
54 1 6 DG H1' 1 7 DC H6 . . 5.000 3.377 3.186 3.616 . 0 0 "[ . 1]" 1
55 1 6 DG H2' 1 6 DG H8 . . 4.000 2.165 2.139 2.206 . 0 0 "[ . 1]" 1
56 1 6 DG H2' 1 7 DC H6 . . 5.000 4.723 4.419 4.945 . 0 0 "[ . 1]" 1
57 1 6 DG H2'' 1 6 DG H8 . . 3.000 3.198 3.176 3.241 0.241 10 0 "[ . 1]" 1
58 1 6 DG H2'' 1 7 DC H6 . . 5.000 3.039 2.685 3.319 . 0 0 "[ . 1]" 1
59 1 6 DG H22 1 22 DG H8 . . 5.000 3.820 3.761 3.933 . 0 0 "[ . 1]" 1
60 1 6 DG H8 1 7 DC H5 . . 5.000 4.528 4.335 4.791 . 0 0 "[ . 1]" 1
61 1 7 DC H1' 1 7 DC H6 . . 4.000 3.697 3.684 3.710 . 0 0 "[ . 1]" 1
62 1 7 DC H1' 1 8 DG H8 . . 4.000 3.419 3.095 4.011 0.011 2 0 "[ . 1]" 1
63 1 7 DC H2' 1 7 DC H6 . . 3.000 2.017 1.987 2.039 . 0 0 "[ . 1]" 1
64 1 7 DC H2' 1 8 DG H8 . . 4.000 3.810 3.250 4.039 0.039 10 0 "[ . 1]" 1
65 1 7 DC H2'' 1 7 DC H6 . . 3.000 3.225 3.123 3.309 0.309 2 0 "[ . 1]" 1
66 1 7 DC H41 1 21 DG H1 . . 2.500 2.355 2.276 2.469 . 0 0 "[ . 1]" 1
67 1 7 DC H42 1 21 DG H1 . . 4.000 3.904 3.830 4.007 0.007 1 0 "[ . 1]" 1
68 1 8 DG H1 1 20 DC H41 . . 2.500 2.447 2.406 2.508 0.008 8 0 "[ . 1]" 1
69 1 8 DG H1 1 20 DC H42 . . 4.000 3.992 3.949 4.046 0.046 8 0 "[ . 1]" 1
70 1 8 DG H1' 1 8 DG H8 . . 4.000 3.905 3.895 3.917 . 0 0 "[ . 1]" 1
71 1 8 DG H1' 1 9 DC H6 . . 4.000 3.476 3.047 3.771 . 0 0 "[ . 1]" 1
72 1 8 DG H2' 1 8 DG H8 . . 4.000 2.316 2.232 2.423 . 0 0 "[ . 1]" 1
73 1 8 DG H2' 1 9 DC H6 . . 5.000 3.554 3.210 3.789 . 0 0 "[ . 1]" 1
74 1 8 DG H2'' 1 8 DG H8 . . 4.000 3.767 3.645 3.938 . 0 0 "[ . 1]" 1
75 1 8 DG H2'' 1 9 DC H6 . . 5.000 2.319 2.149 2.555 . 0 0 "[ . 1]" 1
76 1 8 DG H8 1 9 DC H6 . . 5.000 4.847 4.634 5.016 0.016 10 0 "[ . 1]" 1
77 1 9 DC H1' 1 9 DC H6 . . 4.000 3.743 3.730 3.759 . 0 0 "[ . 1]" 1
78 1 9 DC H1' 1 10 DG H8 . . 4.000 3.978 3.839 4.065 0.065 8 0 "[ . 1]" 1
79 1 9 DC H2' 1 9 DC H6 . . 4.000 2.256 2.130 2.414 . 0 0 "[ . 1]" 1
80 1 9 DC H2' 1 10 DG H8 . . 4.000 3.170 2.766 3.359 . 0 0 "[ . 1]" 1
81 1 9 DC H2'' 1 9 DC H6 . . 4.000 3.683 3.516 3.868 . 0 0 "[ . 1]" 1
82 1 9 DC H2'' 1 10 DG H8 . . 4.000 2.205 2.092 2.453 . 0 0 "[ . 1]" 1
83 1 9 DC H41 1 19 DG H1 . . 2.500 2.340 2.248 2.480 . 0 0 "[ . 1]" 1
84 1 9 DC H42 1 19 DG H1 . . 4.000 3.893 3.797 4.015 0.015 7 0 "[ . 1]" 1
85 1 9 DC H6 1 10 DG H8 . . 5.000 4.663 4.245 5.001 0.001 3 0 "[ . 1]" 1
86 1 10 DG H1 1 18 DC H41 . . 2.500 2.356 2.223 2.471 . 0 0 "[ . 1]" 1
87 1 10 DG H1 1 18 DC H42 . . 4.000 3.908 3.777 3.993 . 0 0 "[ . 1]" 1
88 1 10 DG H1' 1 10 DG H8 . . 4.000 3.892 3.871 3.913 . 0 0 "[ . 1]" 1
89 1 10 DG H1' 1 11 DA H8 . . 4.000 3.850 3.368 4.077 0.077 3 0 "[ . 1]" 1
90 1 10 DG H2' 1 10 DG H8 . . 4.000 2.287 2.235 2.328 . 0 0 "[ . 1]" 1
91 1 10 DG H2'' 1 10 DG H8 . . 4.000 3.596 3.364 3.737 . 0 0 "[ . 1]" 1
92 1 10 DG H2'' 1 11 DA H8 . . 4.000 2.621 2.341 3.085 . 0 0 "[ . 1]" 1
93 1 11 DA H1' 1 11 DA H8 . . 3.000 3.638 3.586 3.677 0.677 2 10 [*+-*******] 1
94 1 11 DA H1' 1 12 DA H8 . . 4.000 4.029 3.979 4.075 0.075 7 0 "[ . 1]" 1
95 1 11 DA H2 1 17 DT H3 . . 2.500 2.522 2.456 2.563 0.063 10 0 "[ . 1]" 1
96 1 11 DA H2' 1 11 DA H8 . . 3.000 2.110 2.055 2.162 . 0 0 "[ . 1]" 1
97 1 11 DA H2'' 1 11 DA H8 . . 4.000 3.446 3.293 3.624 . 0 0 "[ . 1]" 1
98 1 11 DA H8 1 12 DA H8 . . 5.000 4.637 4.430 4.861 . 0 0 "[ . 1]" 1
99 1 12 DA H1' 1 12 DA H8 . . 4.000 3.750 3.722 3.789 . 0 0 "[ . 1]" 1
100 1 12 DA H1' 1 13 DG H8 . . 4.000 4.083 4.036 4.115 0.115 9 0 "[ . 1]" 1
101 1 12 DA H2 1 16 DT H3 . . 2.500 2.553 2.524 2.573 0.073 9 0 "[ . 1]" 1
102 1 12 DA H2' 1 12 DA H8 . . 3.000 2.083 2.039 2.110 . 0 0 "[ . 1]" 1
103 1 12 DA H2' 1 13 DG H8 . . 4.000 3.699 3.458 3.853 . 0 0 "[ . 1]" 1
104 1 12 DA H2'' 1 12 DA H8 . . 3.000 3.140 3.103 3.189 0.189 10 0 "[ . 1]" 1
105 1 12 DA H2'' 1 13 DG H8 . . 4.000 2.466 2.291 2.592 . 0 0 "[ . 1]" 1
106 1 12 DA H8 1 13 DG H8 . . 5.000 4.036 3.885 4.202 . 0 0 "[ . 1]" 1
107 1 13 DG H1' 1 13 DG H8 . . 4.000 3.793 3.782 3.808 . 0 0 "[ . 1]" 1
108 1 13 DG H1' 1 14 DC H6 . . 3.000 2.992 2.944 3.039 0.039 7 0 "[ . 1]" 1
109 1 13 DG H2' 1 13 DG H8 . . 3.000 2.101 2.066 2.144 . 0 0 "[ . 1]" 1
110 1 13 DG H2' 1 14 DC H5 . . 4.000 4.028 3.913 4.079 0.079 9 0 "[ . 1]" 1
111 1 13 DG H2' 1 14 DC H6 . . 4.000 3.803 3.731 3.869 . 0 0 "[ . 1]" 1
112 1 13 DG H2'' 1 13 DG H8 . . 3.000 3.115 3.081 3.144 0.144 4 0 "[ . 1]" 1
113 1 13 DG H2'' 1 14 DC H6 . . 4.000 2.288 2.230 2.377 . 0 0 "[ . 1]" 1
114 1 13 DG H8 1 14 DC H5 . . 3.500 3.149 3.063 3.216 . 0 0 "[ . 1]" 1
115 1 13 DG H8 1 14 DC H6 . . 4.000 4.119 4.074 4.159 0.159 5 0 "[ . 1]" 1
116 1 14 DC H1' 1 14 DC H6 . . 3.500 3.651 3.637 3.659 0.159 6 0 "[ . 1]" 1
117 1 14 DC H1' 1 15 DA H8 . . 4.000 4.055 4.007 4.097 0.097 2 0 "[ . 1]" 1
118 1 14 DC H2' 1 14 DC H6 . . 3.000 2.050 2.019 2.073 . 0 0 "[ . 1]" 1
119 1 14 DC H2'' 1 14 DC H6 . . 3.000 3.255 3.210 3.304 0.304 10 0 "[ . 1]" 1
120 1 15 DA H1' 1 15 DA H8 . . 3.000 3.418 3.392 3.455 0.455 3 0 "[ . 1]" 1
121 1 15 DA H1' 1 16 DT C7 . . 6.000 5.328 4.950 5.816 . 0 0 "[ . 1]" 1
122 1 15 DA H1' 1 16 DT H6 . . 4.000 3.266 2.938 3.610 . 0 0 "[ . 1]" 1
123 1 15 DA H2' 1 15 DA H8 . . 4.000 2.150 2.075 2.255 . 0 0 "[ . 1]" 1
124 1 15 DA H2' 1 16 DT H6 . . 4.000 4.068 4.039 4.103 0.103 6 0 "[ . 1]" 1
125 1 15 DA H2'' 1 15 DA H8 . . 4.000 2.769 2.716 2.846 . 0 0 "[ . 1]" 1
126 1 15 DA H2'' 1 16 DT H6 . . 5.000 2.770 2.671 2.907 . 0 0 "[ . 1]" 1
127 1 15 DA H8 1 16 DT C7 . . 6.000 3.307 3.186 3.467 . 0 0 "[ . 1]" 1
128 1 16 DT H1' 1 16 DT H6 . . 4.000 3.726 3.712 3.743 . 0 0 "[ . 1]" 1
129 1 16 DT H1' 1 17 DT C7 . . 6.000 5.118 4.950 5.569 . 0 0 "[ . 1]" 1
130 1 16 DT H2' 1 16 DT H6 . . 4.000 2.475 2.357 2.588 . 0 0 "[ . 1]" 1
131 1 16 DT H2'' 1 16 DT H6 . . 4.000 3.894 3.786 3.985 . 0 0 "[ . 1]" 1
132 1 17 DT C7 1 18 DC H5 . . 6.000 4.469 4.073 5.005 . 0 0 "[ . 1]" 1
133 1 17 DT H1' 1 17 DT H6 . . 4.000 3.724 3.663 3.743 . 0 0 "[ . 1]" 1
134 1 17 DT H1' 1 18 DC H6 . . 5.000 4.221 3.573 4.835 . 0 0 "[ . 1]" 1
135 1 17 DT H2' 1 17 DT H6 . . 4.000 2.391 2.259 2.699 . 0 0 "[ . 1]" 1
136 1 17 DT H2'' 1 17 DT H6 . . 4.000 3.833 3.675 4.047 0.047 1 0 "[ . 1]" 1
137 1 17 DT H6 1 18 DC H5 . . 4.000 3.908 3.783 4.021 0.021 9 0 "[ . 1]" 1
138 1 18 DC H1' 1 18 DC H6 . . 4.000 3.730 3.712 3.746 . 0 0 "[ . 1]" 1
139 1 18 DC H1' 1 19 DG H8 . . 4.000 3.462 2.589 3.939 . 0 0 "[ . 1]" 1
140 1 18 DC H2' 1 18 DC H5 . . 4.000 4.171 4.108 4.247 0.247 6 0 "[ . 1]" 1
141 1 18 DC H2' 1 18 DC H6 . . 4.000 2.085 1.980 2.212 . 0 0 "[ . 1]" 1
142 1 18 DC H2'' 1 18 DC H6 . . 4.000 3.490 3.106 3.695 . 0 0 "[ . 1]" 1
143 1 19 DG H1' 1 20 DC H6 . . 4.000 3.762 3.596 3.972 . 0 0 "[ . 1]" 1
144 1 19 DG H2' 1 19 DG H8 . . 4.000 2.304 2.234 2.469 . 0 0 "[ . 1]" 1
145 1 19 DG H2' 1 20 DC H6 . . 4.000 2.921 2.642 3.134 . 0 0 "[ . 1]" 1
146 1 19 DG H2'' 1 19 DG H8 . . 4.000 3.759 3.684 3.905 . 0 0 "[ . 1]" 1
147 1 19 DG H2'' 1 20 DC H6 . . 4.000 2.260 2.190 2.380 . 0 0 "[ . 1]" 1
148 1 19 DG H8 1 20 DC H6 . . 4.000 4.070 4.006 4.141 0.141 10 0 "[ . 1]" 1
149 1 20 DC H1' 1 20 DC H6 . . 4.000 3.765 3.757 3.773 . 0 0 "[ . 1]" 1
150 1 20 DC H1' 1 21 DG H8 . . 4.000 3.779 3.590 4.109 0.109 10 0 "[ . 1]" 1
151 1 20 DC H2' 1 20 DC H6 . . 4.000 2.306 2.240 2.493 . 0 0 "[ . 1]" 1
152 1 20 DC H2' 1 21 DG H8 . . 4.000 3.982 3.617 4.068 0.068 3 0 "[ . 1]" 1
153 1 20 DC H2'' 1 20 DC H6 . . 4.000 3.480 3.355 3.844 . 0 0 "[ . 1]" 1
154 1 20 DC H2'' 1 21 DG H8 . . 4.000 2.304 2.278 2.376 . 0 0 "[ . 1]" 1
155 1 20 DC H6 1 21 DG H8 . . 5.500 5.344 5.149 5.550 0.050 2 0 "[ . 1]" 1
156 1 21 DG H1' 1 21 DG H8 . . 3.500 3.679 3.636 3.712 0.212 1 0 "[ . 1]" 1
157 1 21 DG H1' 1 22 DG H8 . . 5.000 5.094 5.028 5.138 0.138 5 0 "[ . 1]" 1
158 1 21 DG H2' 1 21 DG H8 . . 5.000 2.114 1.974 2.188 . 0 0 "[ . 1]" 1
159 1 21 DG H2' 1 22 DG H1 . . 5.000 4.857 4.390 5.048 0.048 7 0 "[ . 1]" 1
160 1 21 DG H2'' 1 21 DG H8 . . 3.000 2.948 2.713 3.304 0.304 5 0 "[ . 1]" 1
161 1 21 DG H2'' 1 22 DG H1 . . 5.000 4.274 4.028 4.514 . 0 0 "[ . 1]" 1
162 1 21 DG H8 1 22 DG H1 . . 4.000 3.616 3.420 3.892 . 0 0 "[ . 1]" 1
163 1 21 DG H8 1 22 DG H22 . . 4.000 4.040 3.979 4.099 0.099 3 0 "[ . 1]" 1
164 1 21 DG H8 1 27 DG H8 . . 5.500 5.348 5.007 5.571 0.071 10 0 "[ . 1]" 1
165 1 22 DG H1 1 27 DG H8 . . 5.000 5.076 5.026 5.161 0.161 1 0 "[ . 1]" 1
166 1 22 DG H1' 1 22 DG H8 . . 2.500 2.410 2.359 2.477 . 0 0 "[ . 1]" 1
167 1 22 DG H1' 1 23 DG H8 . . 4.000 4.120 4.078 4.165 0.165 8 0 "[ . 1]" 1
168 1 22 DG H2' 1 22 DG H8 . . 4.000 4.173 4.126 4.220 0.220 2 0 "[ . 1]" 1
169 1 22 DG H2' 1 23 DG H8 . . 4.000 2.377 2.189 2.630 . 0 0 "[ . 1]" 1
170 1 22 DG H2'' 1 22 DG H8 . . 4.000 3.488 3.382 3.574 . 0 0 "[ . 1]" 1
171 1 22 DG H2'' 1 23 DG H8 . . 4.000 2.178 2.104 2.228 . 0 0 "[ . 1]" 1
172 1 22 DG H8 1 23 DG H8 . . 5.500 4.268 4.168 4.385 . 0 0 "[ . 1]" 1
173 1 23 DG H1 1 25 DT C7 . . 5.000 5.464 5.111 5.635 0.635 8 5 "[ * *- + *]" 1
174 1 23 DG H1' 1 23 DG H8 . . 4.000 3.909 3.892 3.932 . 0 0 "[ . 1]" 1
175 1 23 DG H1' 1 24 DT C7 . . 4.000 3.454 3.299 3.577 . 0 0 "[ . 1]" 1
176 1 23 DG H1' 1 24 DT H6 . . 4.000 4.081 4.045 4.124 0.124 6 0 "[ . 1]" 1
177 1 23 DG H1' 1 25 DT C7 . . 4.000 4.170 4.027 4.268 0.268 3 0 "[ . 1]" 1
178 1 23 DG H2' 1 23 DG H8 . . 4.000 2.337 2.298 2.419 . 0 0 "[ . 1]" 1
179 1 23 DG H2' 1 24 DT H6 . . 5.000 3.726 3.643 3.980 . 0 0 "[ . 1]" 1
180 1 23 DG H2' 1 25 DT H6 . . 5.500 4.242 4.035 4.416 . 0 0 "[ . 1]" 1
181 1 23 DG H2'' 1 23 DG H8 . . 4.000 3.689 3.572 3.775 . 0 0 "[ . 1]" 1
182 1 23 DG H2'' 1 24 DT H6 . . 4.000 2.216 2.170 2.354 . 0 0 "[ . 1]" 1
183 1 23 DG H2'' 1 25 DT H6 . . 5.500 4.510 4.336 4.714 . 0 0 "[ . 1]" 1
184 1 23 DG H8 1 24 DT C7 . . 6.500 6.459 6.337 6.562 0.062 10 0 "[ . 1]" 1
185 1 23 DG H8 1 24 DT H6 . . 5.500 5.513 5.453 5.622 0.122 9 0 "[ . 1]" 1
186 1 23 DG H8 1 25 DT C7 . . 5.000 4.211 3.992 4.410 . 0 0 "[ . 1]" 1
187 1 23 DG H8 1 25 DT H2' . . 5.500 4.390 4.160 4.731 . 0 0 "[ . 1]" 1
188 1 23 DG H8 1 26 DG H1 . . 5.000 5.118 5.049 5.162 0.162 7 0 "[ . 1]" 1
189 1 24 DT C7 1 24 DT H1' . . 6.000 5.608 5.509 5.746 . 0 0 "[ . 1]" 1
190 1 24 DT H1' 1 24 DT H6 . . 3.000 3.426 3.323 3.577 0.577 2 2 "[ + . - 1]" 1
191 1 24 DT H1' 1 25 DT C7 . . 5.000 5.193 5.112 5.244 0.244 8 0 "[ . 1]" 1
192 1 24 DT H1' 1 25 DT H6 . . 5.500 5.516 5.441 5.590 0.090 5 0 "[ . 1]" 1
193 1 24 DT H2' 1 24 DT H6 . . 4.000 2.224 2.079 2.564 . 0 0 "[ . 1]" 1
194 1 24 DT H2' 1 25 DT H6 . . 5.000 3.035 2.881 3.135 . 0 0 "[ . 1]" 1
195 1 24 DT H2'' 1 24 DT H6 . . 4.000 3.654 3.591 3.796 . 0 0 "[ . 1]" 1
196 1 24 DT H2'' 1 25 DT H6 . . 5.000 3.775 3.659 3.908 . 0 0 "[ . 1]" 1
197 1 24 DT H6 1 25 DT C7 . . 5.000 2.805 2.683 3.054 . 0 0 "[ . 1]" 1
198 1 25 DT C7 1 25 DT H1' . . 6.500 5.771 5.755 5.788 . 0 0 "[ . 1]" 1
199 1 25 DT H1' 1 25 DT H6 . . 3.500 3.627 3.614 3.635 0.135 10 0 "[ . 1]" 1
200 1 25 DT H2' 1 25 DT H6 . . 4.000 2.862 2.787 2.941 . 0 0 "[ . 1]" 1
201 1 25 DT H2' 1 26 DG H1 . . 5.000 4.322 4.171 4.446 . 0 0 "[ . 1]" 1
202 1 25 DT H2'' 1 25 DT H6 . . 5.500 4.112 4.067 4.144 . 0 0 "[ . 1]" 1
203 1 25 DT H2'' 1 26 DG H1 . . 5.000 5.084 5.026 5.149 0.149 8 0 "[ . 1]" 1
204 1 25 DT H3 1 26 DG H1 . . 3.500 3.115 3.043 3.174 . 0 0 "[ . 1]" 1
205 1 26 DG H1' 1 26 DG H8 . . 2.500 2.506 2.468 2.523 0.023 7 0 "[ . 1]" 1
206 1 26 DG H1' 1 27 DG H8 . . 4.000 4.127 4.088 4.166 0.166 5 0 "[ . 1]" 1
207 1 26 DG H2' 1 26 DG H8 . . 5.000 4.578 4.507 4.605 . 0 0 "[ . 1]" 1
208 1 26 DG H2' 1 27 DG H8 . . 3.000 2.875 2.679 3.046 0.046 4 0 "[ . 1]" 1
209 1 26 DG H2'' 1 26 DG H8 . . 4.000 3.959 3.828 4.022 0.022 3 0 "[ . 1]" 1
210 1 26 DG H2'' 1 27 DG H8 . . 3.000 2.240 2.191 2.283 . 0 0 "[ . 1]" 1
211 1 26 DG H8 1 27 DG H1' . . 5.000 4.054 3.946 4.253 . 0 0 "[ . 1]" 1
212 1 26 DG H8 1 27 DG H8 . . 5.000 4.610 4.454 4.743 . 0 0 "[ . 1]" 1
213 1 27 DG H1' 1 27 DG H8 . . 3.500 3.736 3.725 3.747 0.247 1 0 "[ . 1]" 1
214 1 27 DG H2' 1 27 DG H8 . . 3.000 2.142 2.079 2.210 . 0 0 "[ . 1]" 1
215 1 27 DG H2'' 1 27 DG H8 . . 3.000 3.132 3.092 3.165 0.165 10 0 "[ . 1]" 1
stop_
save_
Contact the webmaster for help, if required. Tuesday, May 14, 2024 4:25:27 AM GMT (wattos1)