NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
595788 |
2mwz   |
25378 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mwz
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 488
_Distance_constraint_stats_list.Viol_count 389
_Distance_constraint_stats_list.Viol_total 297.805
_Distance_constraint_stats_list.Viol_max 0.887
_Distance_constraint_stats_list.Viol_rms 0.0342
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0061
_Distance_constraint_stats_list.Viol_average_violations_only 0.0766
_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 DT 0.590 0.149 2 0 "[ . 1]"
1 2 DT 2.227 0.259 3 0 "[ . 1]"
1 3 DG 1.541 0.259 3 0 "[ . 1]"
1 4 DG 0.461 0.099 9 0 "[ . 1]"
1 5 DG 3.672 0.887 9 1 "[ . +1]"
1 6 DT 4.478 0.397 1 0 "[ . 1]"
1 7 DT 5.216 0.182 2 0 "[ . 1]"
1 8 DA 6.442 0.573 8 5 "[ *.*-+ *]"
1 9 8OG 2.030 0.333 2 0 "[ . 1]"
1 10 DG 0.553 0.132 1 0 "[ . 1]"
1 11 DG 1.418 0.343 6 0 "[ . 1]"
1 12 DT 2.431 0.343 6 0 "[ . 1]"
1 13 DT 1.722 0.135 1 0 "[ . 1]"
1 14 DA 0.630 0.216 1 0 "[ . 1]"
1 15 DG 3.397 0.233 10 0 "[ . 1]"
1 16 DG 0.554 0.133 8 0 "[ . 1]"
1 18 DT 0.898 0.084 4 0 "[ . 1]"
1 19 DT 1.065 0.121 7 0 "[ . 1]"
1 20 DA 1.230 0.338 8 0 "[ . 1]"
1 21 DG 0.536 0.064 4 0 "[ . 1]"
1 22 DG 0.505 0.064 4 0 "[ . 1]"
1 23 DG 0.449 0.188 3 0 "[ . 1]"
1 24 DA 0.524 0.188 3 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 DT C7 1 1 DT H6 2.500 . 3.500 2.666 2.657 2.672 . 0 0 "[ . 1]" 1
2 1 1 DT C7 1 9 8OG H1' 5.000 4.000 6.500 4.214 3.851 4.758 0.149 2 0 "[ . 1]" 1
3 1 1 DT H1' 1 1 DT H6 3.000 . 4.000 3.691 3.645 3.723 . 0 0 "[ . 1]" 1
4 1 1 DT H1' 1 3 DG H8 5.000 4.000 6.500 6.131 5.272 6.553 0.053 1 0 "[ . 1]" 1
5 1 1 DT H1' 1 1 DT H2'' 2.000 . 2.500 2.257 2.166 2.445 . 0 0 "[ . 1]" 1
6 1 1 DT H1' 1 1 DT H2' 2.500 . 3.500 3.021 3.007 3.029 . 0 0 "[ . 1]" 1
7 1 1 DT H2' 1 1 DT H6 2.500 . 3.500 2.788 2.547 3.067 . 0 0 "[ . 1]" 1
8 1 1 DT H2'' 1 1 DT H6 3.000 . 4.500 4.038 3.798 4.197 . 0 0 "[ . 1]" 1
9 1 1 DT H2' 1 2 DT Q5' 5.000 4.000 6.500 5.482 4.965 5.799 . 0 0 "[ . 1]" 1
10 1 1 DT H1' 1 1 DT H3' 3.000 . 4.500 3.821 3.786 3.912 . 0 0 "[ . 1]" 1
11 1 1 DT H3' 1 1 DT H6 3.000 . 4.500 4.274 4.038 4.444 . 0 0 "[ . 1]" 1
12 1 1 DT H1' 1 1 DT H4' 3.000 . 4.500 2.900 2.811 3.184 . 0 0 "[ . 1]" 1
13 1 1 DT H4' 1 1 DT H6 3.000 . 4.500 4.435 4.276 4.504 0.004 4 0 "[ . 1]" 1
14 1 1 DT H4' 1 3 DG H1' 5.000 4.500 7.000 5.470 4.803 5.752 . 0 0 "[ . 1]" 1
15 1 1 DT H1' 1 1 DT Q5' 5.000 4.000 6.500 4.133 4.015 4.292 . 0 0 "[ . 1]" 1
16 1 1 DT Q5' 1 1 DT H6 3.000 . 4.500 3.477 3.055 3.838 . 0 0 "[ . 1]" 1
17 1 1 DT Q5' 1 3 DG H1' 6.000 5.750 7.750 5.958 5.639 6.526 0.111 6 0 "[ . 1]" 1
18 1 1 DT H1' 1 2 DT C7 5.000 4.000 6.500 4.195 3.935 4.465 0.065 2 0 "[ . 1]" 1
19 1 1 DT H2'' 1 2 DT C7 3.000 . 4.500 3.583 2.493 4.193 . 0 0 "[ . 1]" 1
20 1 2 DT C7 1 2 DT H6 2.500 . 3.500 2.661 2.654 2.671 . 0 0 "[ . 1]" 1
21 1 2 DT H1' 1 2 DT H2'' 2.500 . 3.500 2.344 2.254 2.439 . 0 0 "[ . 1]" 1
22 1 2 DT H1' 1 2 DT H2' 3.000 . 4.000 3.020 3.012 3.034 . 0 0 "[ . 1]" 1
23 1 2 DT H2'' 1 2 DT Q5' 5.000 4.000 6.500 4.564 4.468 4.661 . 0 0 "[ . 1]" 1
24 1 2 DT H2' 1 2 DT H6 2.500 . 3.500 2.988 2.721 3.418 . 0 0 "[ . 1]" 1
25 1 2 DT H2'' 1 2 DT H6 3.000 . 4.500 4.273 4.144 4.514 0.014 4 0 "[ . 1]" 1
26 1 2 DT H1' 1 2 DT H3' 5.000 4.000 6.500 3.898 3.869 3.921 0.131 4 0 "[ . 1]" 1
27 1 2 DT H3' 1 2 DT H6 3.000 . 4.500 4.230 4.050 4.534 0.034 6 0 "[ . 1]" 1
28 1 2 DT H1' 1 2 DT H4' 3.000 . 4.000 3.092 2.701 3.315 . 0 0 "[ . 1]" 1
29 1 2 DT H4' 1 2 DT H6 5.000 4.000 6.500 4.250 4.135 4.351 . 0 0 "[ . 1]" 1
30 1 2 DT H4' 1 3 DG H8 5.000 4.000 6.500 6.003 5.755 6.381 . 0 0 "[ . 1]" 1
31 1 1 DT H1' 1 2 DT Q5' 3.000 . 5.500 4.277 3.184 4.675 . 0 0 "[ . 1]" 1
32 1 1 DT H3' 1 2 DT Q5' 5.000 4.000 6.500 4.302 4.123 4.540 . 0 0 "[ . 1]" 1
33 1 2 DT Q5' 1 2 DT H6 3.000 . 4.500 3.403 3.061 3.714 . 0 0 "[ . 1]" 1
34 1 2 DT Q5' 1 3 DG H1' 5.000 4.000 6.500 4.097 3.741 4.435 0.259 3 0 "[ . 1]" 1
35 1 2 DT Q5' 1 3 DG H8 5.000 4.000 6.500 4.451 4.201 4.792 . 0 0 "[ . 1]" 1
36 1 3 DG H1' 1 3 DG H8 2.500 . 3.500 2.573 2.552 2.609 . 0 0 "[ . 1]" 1
37 1 3 DG H1' 1 4 DG H8 3.000 . 4.500 4.152 3.943 4.368 . 0 0 "[ . 1]" 1
38 1 3 DG H1' 1 3 DG H2'' 2.000 . 2.500 2.130 2.055 2.206 . 0 0 "[ . 1]" 1
39 1 3 DG H1' 1 3 DG H2' 3.000 . 4.000 3.028 3.026 3.031 . 0 0 "[ . 1]" 1
40 1 3 DG H2'' 1 3 DG H8 3.000 . 4.500 3.638 3.342 3.857 . 0 0 "[ . 1]" 1
41 1 3 DG H2' 1 3 DG H8 5.000 4.000 6.500 4.500 4.314 4.589 . 0 0 "[ . 1]" 1
42 1 3 DG H2'' 1 4 DG H3' 5.000 4.000 6.500 4.356 3.987 4.584 0.013 2 0 "[ . 1]" 1
43 1 3 DG H2'' 1 4 DG H8 2.500 . 3.500 2.201 2.059 2.385 . 0 0 "[ . 1]" 1
44 1 3 DG H2' 1 4 DG H8 3.000 . 4.000 2.764 2.463 2.881 . 0 0 "[ . 1]" 1
45 1 3 DG H1' 1 3 DG H3' 3.000 . 4.500 3.788 3.773 3.808 . 0 0 "[ . 1]" 1
46 1 3 DG H3' 1 3 DG H8 5.000 4.000 6.500 6.062 5.978 6.100 . 0 0 "[ . 1]" 1
47 1 3 DG H3' 1 4 DG H8 3.000 . 4.500 4.469 4.054 4.542 0.042 7 0 "[ . 1]" 1
48 1 2 DT H3' 1 3 DG H4' 5.000 4.000 6.500 5.642 5.027 6.022 . 0 0 "[ . 1]" 1
49 1 3 DG H1' 1 3 DG H4' 3.000 . 4.000 2.780 2.650 3.175 . 0 0 "[ . 1]" 1
50 1 3 DG H4' 1 3 DG H8 5.000 4.000 6.500 5.174 5.018 5.584 . 0 0 "[ . 1]" 1
51 1 3 DG H4' 1 4 DG H8 5.000 4.000 6.500 5.962 5.826 6.187 . 0 0 "[ . 1]" 1
52 1 3 DG H1' 1 3 DG Q5' 5.000 4.000 6.500 4.103 4.068 4.143 . 0 0 "[ . 1]" 1
53 1 3 DG Q5' 1 4 DG H8 6.000 5.000 7.750 6.089 5.180 6.391 . 0 0 "[ . 1]" 1
54 1 3 DG H8 1 4 DG H8 5.000 4.000 6.500 4.682 4.469 5.035 . 0 0 "[ . 1]" 1
55 1 3 DG H8 1 4 DG H1' 3.000 . 4.500 3.567 3.181 3.864 . 0 0 "[ . 1]" 1
56 1 4 DG H1' 1 4 DG H8 3.000 . 4.500 3.917 3.897 3.926 . 0 0 "[ . 1]" 1
57 1 4 DG H1' 1 5 DG H8 3.000 . 4.000 3.551 2.726 4.005 0.005 2 0 "[ . 1]" 1
58 1 3 DG H1' 1 4 DG Q2' 5.000 4.000 6.500 4.848 4.645 5.093 . 0 0 "[ . 1]" 1
59 1 3 DG H8 1 4 DG Q2' 5.000 4.000 6.500 4.895 4.756 5.090 . 0 0 "[ . 1]" 1
60 1 4 DG H1' 1 4 DG Q2' 2.500 . 4.000 2.204 2.115 2.331 . 0 0 "[ . 1]" 1
61 1 4 DG Q2' 1 4 DG H8 3.000 . 4.500 2.481 2.288 2.885 . 0 0 "[ . 1]" 1
62 1 4 DG H1' 1 4 DG H3' 3.000 . 4.500 3.819 3.746 3.920 . 0 0 "[ . 1]" 1
63 1 4 DG H3' 1 4 DG H8 3.000 . 4.500 4.338 3.868 4.504 0.004 9 0 "[ . 1]" 1
64 1 4 DG H3' 1 5 DG H8 5.000 4.000 6.500 4.815 4.330 5.119 . 0 0 "[ . 1]" 1
65 1 3 DG H8 1 4 DG H4' 3.000 . 4.000 3.984 3.858 4.099 0.099 9 0 "[ . 1]" 1
66 1 4 DG H1' 1 4 DG H4' 3.000 . 4.000 2.958 2.789 3.089 . 0 0 "[ . 1]" 1
67 1 4 DG H4' 1 4 DG H8 5.000 4.000 6.500 4.958 4.765 5.107 . 0 0 "[ . 1]" 1
68 1 4 DG H1' 1 4 DG Q5' 5.000 4.000 6.500 4.206 4.146 4.250 . 0 0 "[ . 1]" 1
69 1 4 DG Q5' 1 4 DG H8 5.000 4.000 6.500 4.287 4.162 4.418 . 0 0 "[ . 1]" 1
70 1 5 DG H1' 1 5 DG H8 3.000 . 4.500 3.904 3.893 3.922 . 0 0 "[ . 1]" 1
71 1 5 DG H1' 1 5 DG Q2' 2.500 . 4.000 2.146 1.855 2.250 . 0 0 "[ . 1]" 1
72 1 5 DG Q2' 1 5 DG H8 3.000 . 4.500 2.512 2.226 3.071 . 0 0 "[ . 1]" 1
73 1 5 DG H1' 1 5 DG H3' 3.000 . 4.500 3.900 3.855 3.941 . 0 0 "[ . 1]" 1
74 1 5 DG H3' 1 5 DG H8 3.000 . 4.000 3.710 2.266 4.108 0.108 10 0 "[ . 1]" 1
75 1 5 DG H3' 1 6 DT H6 5.000 4.000 6.500 5.218 4.528 5.564 . 0 0 "[ . 1]" 1
76 1 5 DG H1' 1 5 DG H4' 3.000 . 4.000 3.200 2.954 3.369 . 0 0 "[ . 1]" 1
77 1 5 DG H4' 1 5 DG H8 5.000 4.000 6.500 4.729 4.450 4.897 . 0 0 "[ . 1]" 1
78 1 5 DG H4' 1 6 DT H6 3.000 . 4.500 3.123 2.581 3.746 . 0 0 "[ . 1]" 1
79 1 5 DG H1' 1 5 DG Q5' 5.000 4.000 6.500 4.261 4.130 4.326 . 0 0 "[ . 1]" 1
80 1 5 DG Q5' 1 5 DG H8 5.000 4.000 6.500 3.823 3.113 4.229 0.887 9 1 "[ . +1]" 1
81 1 5 DG Q5' 1 6 DT H1' 5.000 4.000 6.500 4.847 3.603 5.819 0.397 1 0 "[ . 1]" 1
82 1 4 DG H8 1 5 DG H8 5.000 4.000 6.500 5.551 5.356 5.824 . 0 0 "[ . 1]" 1
83 1 3 DG H8 1 6 DT C7 5.000 4.000 6.500 6.037 5.247 6.511 0.011 8 0 "[ . 1]" 1
84 1 4 DG H1' 1 6 DT C7 5.000 4.000 6.500 4.612 3.989 5.751 0.011 2 0 "[ . 1]" 1
85 1 5 DG H3' 1 6 DT C7 5.000 4.000 6.500 6.163 5.745 6.530 0.030 8 0 "[ . 1]" 1
86 1 6 DT C7 1 6 DT H1' 5.000 4.000 6.500 5.746 5.643 5.821 . 0 0 "[ . 1]" 1
87 1 6 DT C7 1 6 DT H6 2.500 . 3.500 2.666 2.652 2.685 . 0 0 "[ . 1]" 1
88 1 6 DT C7 1 8 DA H1' 5.000 4.000 6.500 6.251 5.244 6.565 0.065 5 0 "[ . 1]" 1
89 1 6 DT C7 1 8 DA H2 5.000 4.000 6.500 5.126 3.987 6.621 0.121 9 0 "[ . 1]" 1
90 1 6 DT H1' 1 6 DT H6 2.500 . 3.500 3.613 3.493 3.691 0.191 9 0 "[ . 1]" 1
91 1 6 DT H1' 1 7 DT H6 5.000 4.000 6.500 6.151 5.099 6.508 0.008 4 0 "[ . 1]" 1
92 1 6 DT H1' 1 8 DA H8 5.000 4.000 6.500 5.686 3.979 6.477 0.021 2 0 "[ . 1]" 1
93 1 6 DT H1' 1 6 DT H2'' 2.000 . 2.500 2.436 2.219 2.594 0.094 5 0 "[ . 1]" 1
94 1 6 DT H1' 1 6 DT H2' 2.500 . 3.500 2.993 2.891 3.021 . 0 0 "[ . 1]" 1
95 1 6 DT H2' 1 6 DT H6 2.500 . 3.500 2.106 1.710 3.509 0.009 2 0 "[ . 1]" 1
96 1 6 DT H2'' 1 6 DT H6 3.000 . 4.500 3.473 2.835 4.595 0.095 2 0 "[ . 1]" 1
97 1 6 DT H2'' 1 7 DT H1' 5.000 4.000 6.500 4.629 3.925 6.605 0.105 2 0 "[ . 1]" 1
98 1 6 DT H2'' 1 7 DT H6 3.000 . 4.500 4.482 3.811 4.609 0.109 2 0 "[ . 1]" 1
99 1 6 DT H2'' 1 8 DA H8 5.000 4.000 6.500 4.406 3.923 5.966 0.077 6 0 "[ . 1]" 1
100 1 6 DT H2' 1 8 DA H8 5.000 4.000 6.500 4.888 3.942 6.053 0.058 9 0 "[ . 1]" 1
101 1 5 DG H3' 1 6 DT H3' 5.000 4.000 6.500 5.594 4.530 6.636 0.136 7 0 "[ . 1]" 1
102 1 6 DT H1' 1 6 DT H3' 3.000 . 4.000 3.854 3.755 3.960 . 0 0 "[ . 1]" 1
103 1 6 DT H3' 1 6 DT H6 3.000 . 4.500 3.931 2.660 4.551 0.051 2 0 "[ . 1]" 1
104 1 6 DT H1' 1 6 DT H4' 3.000 . 4.000 3.281 2.990 3.634 . 0 0 "[ . 1]" 1
105 1 6 DT H4' 1 6 DT H6 5.000 4.000 6.500 4.703 3.870 5.170 0.130 2 0 "[ . 1]" 1
106 1 6 DT H4' 1 7 DT H6 5.000 4.000 6.500 5.054 3.818 6.553 0.182 2 0 "[ . 1]" 1
107 1 6 DT H1' 1 6 DT H5' 3.000 . 4.500 4.348 4.177 4.607 0.107 7 0 "[ . 1]" 1
108 1 6 DT H1' 1 6 DT H5'' 5.000 4.000 6.500 4.711 4.435 5.044 . 0 0 "[ . 1]" 1
109 1 6 DT H5'' 1 6 DT H6 3.000 . 4.500 4.314 2.254 4.602 0.102 7 0 "[ . 1]" 1
110 1 6 DT H5' 1 6 DT H6 3.000 . 4.500 3.367 2.696 4.504 0.004 1 0 "[ . 1]" 1
111 1 6 DT H6 1 8 DA H8 5.000 4.000 6.500 5.275 4.102 5.764 . 0 0 "[ . 1]" 1
112 1 5 DG H1' 1 7 DT C7 5.000 4.000 6.500 6.194 5.044 6.643 0.143 10 0 "[ . 1]" 1
113 1 7 DT C7 1 7 DT H6 2.500 . 3.500 2.659 2.642 2.675 . 0 0 "[ . 1]" 1
114 1 7 DT H1' 1 10 DG H8 5.000 4.000 6.500 6.507 6.102 6.632 0.132 1 0 "[ . 1]" 1
115 1 7 DT H1' 1 7 DT H6 2.500 . 3.500 3.263 3.098 3.505 0.005 2 0 "[ . 1]" 1
116 1 7 DT H1' 1 8 DA H8 5.000 4.000 6.500 4.669 3.952 6.452 0.048 9 0 "[ . 1]" 1
117 1 7 DT H1' 1 7 DT H2'' 2.000 . 2.500 1.956 1.803 2.304 . 0 0 "[ . 1]" 1
118 1 7 DT H1' 1 7 DT H2' 2.500 . 3.500 2.753 2.700 3.032 . 0 0 "[ . 1]" 1
119 1 7 DT H2'' 1 7 DT H6 3.000 . 4.500 4.506 4.372 4.573 0.073 1 0 "[ . 1]" 1
120 1 7 DT H2' 1 7 DT H6 3.000 . 4.500 4.316 3.343 4.506 0.006 7 0 "[ . 1]" 1
121 1 7 DT H2'' 1 8 DA H3' 5.000 4.000 6.500 4.261 3.988 5.113 0.012 7 0 "[ . 1]" 1
122 1 7 DT H2' 1 8 DA H3' 5.000 4.000 6.500 4.395 3.916 4.672 0.084 3 0 "[ . 1]" 1
123 1 7 DT H2' 1 8 DA H4' 5.000 4.000 6.500 6.471 6.291 6.678 0.178 9 0 "[ . 1]" 1
124 1 7 DT H2'' 1 8 DA H8 3.000 . 4.500 3.141 2.494 4.563 0.063 2 0 "[ . 1]" 1
125 1 7 DT H2' 1 8 DA H8 3.000 . 4.500 4.106 3.515 4.535 0.035 3 0 "[ . 1]" 1
126 1 7 DT H2' 1 9 8OG H3' 5.000 4.000 6.500 5.519 4.531 6.533 0.033 10 0 "[ . 1]" 1
127 1 7 DT H2'' 1 9 8OG H3' 6.000 5.500 7.500 5.501 5.390 5.763 0.110 7 0 "[ . 1]" 1
128 1 7 DT H1' 1 7 DT H3' 5.000 4.000 6.500 3.954 3.839 4.071 0.161 2 0 "[ . 1]" 1
129 1 7 DT H3' 1 7 DT H6 3.000 . 4.500 4.189 3.861 4.647 0.147 2 0 "[ . 1]" 1
130 1 7 DT H3' 1 8 DA H8 3.000 . 4.500 4.160 3.736 4.440 . 0 0 "[ . 1]" 1
131 1 7 DT H1' 1 7 DT H4' 3.000 . 4.000 3.697 2.976 3.889 . 0 0 "[ . 1]" 1
132 1 7 DT H4' 1 7 DT H6 5.000 4.000 6.500 3.932 3.834 4.185 0.166 1 0 "[ . 1]" 1
133 1 7 DT H1' 1 7 DT Q5' 5.000 4.000 7.000 4.177 3.984 4.333 0.016 1 0 "[ . 1]" 1
134 1 7 DT H5'' 1 7 DT H6 3.000 . 4.500 2.840 2.579 3.560 . 0 0 "[ . 1]" 1
135 1 7 DT H5' 1 7 DT H6 5.000 4.000 6.500 4.047 3.947 4.736 0.053 1 0 "[ . 1]" 1
136 1 7 DT H6 1 8 DA H8 6.000 5.750 7.750 6.363 6.121 6.636 . 0 0 "[ . 1]" 1
137 1 8 DA H1' 1 8 DA H2 5.000 4.000 6.500 4.499 4.412 4.748 . 0 0 "[ . 1]" 1
138 1 8 DA H1' 1 8 DA H8 3.000 . 4.500 3.887 3.717 3.932 . 0 0 "[ . 1]" 1
139 1 8 DA H1' 1 8 DA H2'' 2.000 . 2.500 2.249 1.974 2.428 . 0 0 "[ . 1]" 1
140 1 8 DA H1' 1 8 DA H2' 2.500 . 3.500 3.011 2.997 3.023 . 0 0 "[ . 1]" 1
141 1 8 DA H2' 1 8 DA H8 2.500 . 3.500 2.739 2.236 3.539 0.039 9 0 "[ . 1]" 1
142 1 8 DA H2'' 1 8 DA H8 3.000 . 4.500 4.058 3.660 4.449 . 0 0 "[ . 1]" 1
143 1 7 DT H1' 1 8 DA H3' 6.000 5.750 7.750 5.885 5.610 6.871 0.140 7 0 "[ . 1]" 1
144 1 8 DA H1' 1 8 DA H3' 3.000 . 4.500 3.870 3.732 3.934 . 0 0 "[ . 1]" 1
145 1 8 DA H3' 1 8 DA H8 3.000 . 4.500 4.403 4.062 4.629 0.129 8 0 "[ . 1]" 1
146 1 8 DA H1' 1 8 DA H4' 3.000 . 4.500 3.272 2.692 3.466 . 0 0 "[ . 1]" 1
147 1 8 DA H4' 1 8 DA H8 5.000 4.000 6.500 4.686 4.424 5.060 . 0 0 "[ . 1]" 1
148 1 8 DA H4' 1 9 8OG H3' 5.000 4.000 6.500 6.236 5.682 6.524 0.024 9 0 "[ . 1]" 1
149 1 8 DA H1' 1 8 DA Q5' 5.000 4.000 6.500 4.287 4.106 4.363 . 0 0 "[ . 1]" 1
150 1 8 DA Q5' 1 8 DA H8 5.000 4.000 6.500 3.690 3.427 4.397 0.573 8 5 "[ *.*-+ *]" 1
151 1 9 8OG H1' 1 10 DG H8 5.000 3.500 6.000 4.781 4.177 5.177 . 0 0 "[ . 1]" 1
152 1 9 8OG H2'' 1 10 DG H8 2.500 . 3.500 2.704 2.243 3.067 . 0 0 "[ . 1]" 1
153 1 9 8OG H2' 1 10 DG H8 2.500 . 3.500 2.836 2.573 3.085 . 0 0 "[ . 1]" 1
154 1 9 8OG H1' 1 9 8OG H2'' 2.000 . 2.500 2.168 1.994 2.357 . 0 0 "[ . 1]" 1
155 1 9 8OG H1' 1 9 8OG H2' 2.500 . 3.500 3.025 3.017 3.031 . 0 0 "[ . 1]" 1
156 1 9 8OG H3' 1 10 DG H8 5.000 3.500 6.000 4.317 3.829 4.577 . 0 0 "[ . 1]" 1
157 1 8 DA H1' 1 9 8OG H3' 5.000 4.000 7.000 6.015 4.109 7.158 0.158 2 0 "[ . 1]" 1
158 1 8 DA H3' 1 9 8OG H3' 5.000 4.000 6.500 3.966 3.667 4.207 0.333 2 0 "[ . 1]" 1
159 1 9 8OG H1' 1 9 8OG H3' 3.000 . 4.500 3.767 3.705 3.839 . 0 0 "[ . 1]" 1
160 1 1 DT H6 1 9 8OG H4' 5.000 4.000 6.500 5.584 4.794 6.014 . 0 0 "[ . 1]" 1
161 1 9 8OG H1' 1 9 8OG H4' 3.000 . 4.000 3.017 2.764 3.387 . 0 0 "[ . 1]" 1
162 1 1 DT H6 1 9 8OG H5' 3.000 . 4.500 3.826 3.244 4.169 . 0 0 "[ . 1]" 1
163 1 8 DA H1' 1 9 8OG H5' 5.000 4.000 7.000 4.945 3.952 5.869 0.048 10 0 "[ . 1]" 1
164 1 9 8OG H1' 1 9 8OG H5' 5.000 4.000 6.500 3.996 3.969 4.024 0.031 5 0 "[ . 1]" 1
165 1 10 DG H1' 1 10 DG H8 3.000 . 4.500 3.903 3.880 3.930 . 0 0 "[ . 1]" 1
166 1 10 DG H1' 1 11 DG H8 3.000 . 4.000 3.370 2.698 4.018 0.018 8 0 "[ . 1]" 1
167 1 9 8OG H1' 1 10 DG H1' 5.000 4.000 6.500 5.321 4.900 5.687 . 0 0 "[ . 1]" 1
168 1 10 DG H1' 1 10 DG Q2' 2.500 . 3.500 2.275 2.138 2.443 . 0 0 "[ . 1]" 1
169 1 10 DG Q2' 1 10 DG H8 2.500 . 4.500 2.285 2.164 2.500 . 0 0 "[ . 1]" 1
170 1 10 DG Q2' 1 11 DG H8 2.500 . 3.500 2.149 1.957 2.284 . 0 0 "[ . 1]" 1
171 1 9 8OG H1' 1 10 DG Q2' 5.000 4.000 6.500 5.190 5.047 5.432 . 0 0 "[ . 1]" 1
172 1 10 DG H1' 1 10 DG H3' 3.000 . 4.500 3.799 3.729 3.888 . 0 0 "[ . 1]" 1
173 1 10 DG H3' 1 10 DG H8 3.000 . 4.500 4.340 3.915 4.521 0.021 3 0 "[ . 1]" 1
174 1 10 DG H3' 1 11 DG H8 5.000 3.500 6.000 4.487 3.881 5.204 . 0 0 "[ . 1]" 1
175 1 9 8OG H1' 1 10 DG H3' 5.000 4.000 6.500 5.708 5.321 6.162 . 0 0 "[ . 1]" 1
176 1 10 DG H1' 1 10 DG H4' 3.000 . 4.500 2.909 2.695 3.062 . 0 0 "[ . 1]" 1
177 1 10 DG H4' 1 10 DG H8 5.000 4.000 6.500 5.121 4.882 5.320 . 0 0 "[ . 1]" 1
178 1 10 DG H1' 1 10 DG Q5' 5.000 4.000 6.500 4.178 4.095 4.258 . 0 0 "[ . 1]" 1
179 1 10 DG Q5' 1 10 DG H8 5.000 4.000 6.500 4.558 4.110 4.849 . 0 0 "[ . 1]" 1
180 1 9 8OG H1' 1 10 DG Q5' 3.000 . 4.500 2.607 2.257 3.073 . 0 0 "[ . 1]" 1
181 1 11 DG H1' 1 11 DG H8 3.000 . 4.000 3.906 3.875 3.922 . 0 0 "[ . 1]" 1
182 1 11 DG H1' 1 13 DT H6 5.000 4.000 6.500 4.988 4.824 5.339 . 0 0 "[ . 1]" 1
183 1 11 DG H1' 1 11 DG H2'' 2.000 . 2.500 2.309 2.202 2.385 . 0 0 "[ . 1]" 1
184 1 11 DG H1' 1 11 DG H2' 2.500 . 3.500 3.027 3.013 3.035 . 0 0 "[ . 1]" 1
185 1 11 DG H2' 1 11 DG H8 2.500 . 3.500 2.326 2.128 2.516 . 0 0 "[ . 1]" 1
186 1 11 DG H2'' 1 11 DG H8 3.000 . 4.500 3.676 3.395 3.890 . 0 0 "[ . 1]" 1
187 1 11 DG H2'' 1 13 DT H6 5.000 4.000 6.500 4.096 3.948 4.322 0.052 7 0 "[ . 1]" 1
188 1 11 DG H2' 1 13 DT H6 5.000 4.000 6.500 4.785 4.221 5.009 . 0 0 "[ . 1]" 1
189 1 11 DG H1' 1 11 DG H3' 3.000 . 4.500 3.815 3.762 3.892 . 0 0 "[ . 1]" 1
190 1 11 DG H3' 1 11 DG H8 3.000 . 4.500 4.352 4.205 4.459 . 0 0 "[ . 1]" 1
191 1 11 DG H3' 1 12 DT H6 5.000 4.000 6.500 5.455 4.005 6.442 . 0 0 "[ . 1]" 1
192 1 11 DG H1' 1 11 DG H4' 3.000 . 4.000 3.088 2.810 3.343 . 0 0 "[ . 1]" 1
193 1 11 DG H4' 1 11 DG H8 5.000 4.000 6.500 4.985 4.804 5.058 . 0 0 "[ . 1]" 1
194 1 11 DG H1' 1 11 DG Q5' 5.000 4.000 6.500 4.230 4.135 4.314 . 0 0 "[ . 1]" 1
195 1 11 DG Q5' 1 11 DG H8 5.000 4.000 6.500 4.179 3.792 4.459 0.208 10 0 "[ . 1]" 1
196 1 10 DG H8 1 11 DG H8 5.000 4.000 6.500 5.221 4.485 5.751 . 0 0 "[ . 1]" 1
197 1 12 DT C7 1 12 DT H1' 5.000 4.000 6.500 5.760 5.516 5.813 . 0 0 "[ . 1]" 1
198 1 12 DT C7 1 12 DT H6 2.500 . 3.500 2.669 2.665 2.672 . 0 0 "[ . 1]" 1
199 1 12 DT H1' 1 12 DT H6 2.500 . 3.500 3.619 3.289 3.684 0.184 8 0 "[ . 1]" 1
200 1 12 DT H1' 1 12 DT H2'' 2.000 . 2.500 2.238 2.099 2.425 . 0 0 "[ . 1]" 1
201 1 12 DT H1' 1 12 DT H2' 2.500 . 3.500 3.014 3.000 3.025 . 0 0 "[ . 1]" 1
202 1 12 DT H2' 1 12 DT H6 2.500 . 3.500 2.523 1.858 2.820 . 0 0 "[ . 1]" 1
203 1 12 DT H2'' 1 12 DT H6 3.000 . 4.000 3.718 2.574 4.025 0.025 2 0 "[ . 1]" 1
204 1 12 DT H2'' 1 13 DT H6 5.000 4.000 6.500 5.863 4.908 6.537 0.037 4 0 "[ . 1]" 1
205 1 12 DT H2' 1 13 DT H6 6.000 5.750 7.750 7.203 6.416 7.605 . 0 0 "[ . 1]" 1
206 1 11 DG H1' 1 12 DT H3' 5.000 4.000 6.500 6.327 5.973 6.540 0.040 7 0 "[ . 1]" 1
207 1 11 DG H8 1 12 DT H3' 6.000 5.750 7.750 7.684 7.399 7.797 0.047 4 0 "[ . 1]" 1
208 1 12 DT H1' 1 12 DT H3' 3.000 . 4.000 3.839 3.774 3.920 . 0 0 "[ . 1]" 1
209 1 12 DT H3' 1 12 DT H6 3.000 . 4.500 4.140 3.987 4.354 . 0 0 "[ . 1]" 1
210 1 12 DT H3' 1 13 DT H6 5.000 4.000 6.500 6.316 5.897 6.553 0.053 3 0 "[ . 1]" 1
211 1 12 DT H1' 1 12 DT H4' 3.000 . 4.500 3.003 2.784 3.543 . 0 0 "[ . 1]" 1
212 1 12 DT H4' 1 12 DT H6 5.000 4.000 6.500 4.540 3.998 5.419 0.002 9 0 "[ . 1]" 1
213 1 12 DT H4' 1 13 DT H6 5.000 4.000 6.500 5.543 4.782 6.047 . 0 0 "[ . 1]" 1
214 1 11 DG H1' 1 12 DT H5' 5.000 4.000 6.500 5.569 5.148 6.601 0.101 6 0 "[ . 1]" 1
215 1 11 DG H1' 1 12 DT H5'' 6.000 5.750 7.750 6.614 6.110 6.907 . 0 0 "[ . 1]" 1
216 1 11 DG H3' 1 12 DT Q5' 5.000 3.500 6.000 3.646 3.157 3.833 0.343 6 0 "[ . 1]" 1
217 1 12 DT H1' 1 12 DT H5' 5.000 4.000 6.500 4.876 4.525 5.078 . 0 0 "[ . 1]" 1
218 1 12 DT H3' 1 12 DT H5'' 2.500 . 3.500 2.751 2.475 3.581 0.081 6 0 "[ . 1]" 1
219 1 12 DT H3' 1 12 DT H5' 3.000 . 4.000 2.480 2.298 2.662 . 0 0 "[ . 1]" 1
220 1 12 DT H5'' 1 12 DT H6 3.000 . 4.500 3.227 2.278 3.977 . 0 0 "[ . 1]" 1
221 1 12 DT H5' 1 12 DT H6 5.000 3.500 6.000 4.614 3.504 5.538 . 0 0 "[ . 1]" 1
222 1 11 DG H8 1 13 DT C7 3.000 . 5.000 4.786 4.331 5.017 0.017 5 0 "[ . 1]" 1
223 1 13 DT C7 1 13 DT H6 2.500 . 3.500 2.663 2.652 2.675 . 0 0 "[ . 1]" 1
224 1 13 DT C7 1 24 DA H2 5.000 4.000 7.000 4.993 4.910 5.121 . 0 0 "[ . 1]" 1
225 1 13 DT H1' 1 13 DT H6 3.000 . 4.500 3.682 3.657 3.707 . 0 0 "[ . 1]" 1
226 1 13 DT H1' 1 14 DA H8 3.000 . 4.500 3.671 2.951 4.467 . 0 0 "[ . 1]" 1
227 1 13 DT H1' 1 15 DG H8 6.000 5.750 7.500 5.700 5.615 5.846 0.135 1 0 "[ . 1]" 1
228 1 13 DT H1' 1 13 DT H2'' 2.000 . 2.500 2.279 1.972 2.486 . 0 0 "[ . 1]" 1
229 1 13 DT H1' 1 13 DT H2' 2.500 . 3.500 3.017 3.007 3.029 . 0 0 "[ . 1]" 1
230 1 13 DT H2' 1 13 DT H2'' 2.000 . 2.500 1.791 1.788 1.795 . 0 0 "[ . 1]" 1
231 1 13 DT H2' 1 13 DT H6 2.500 . 3.500 2.747 2.403 2.987 . 0 0 "[ . 1]" 1
232 1 13 DT H2'' 1 13 DT H6 3.000 . 4.500 4.032 3.747 4.220 . 0 0 "[ . 1]" 1
233 1 13 DT H2'' 1 14 DA H8 2.500 . 3.500 2.296 2.017 2.746 . 0 0 "[ . 1]" 1
234 1 13 DT H2' 1 14 DA H8 2.500 . 3.500 3.018 2.687 3.543 0.043 9 0 "[ . 1]" 1
235 1 13 DT H1' 1 13 DT H3' 3.000 . 4.500 3.832 3.746 3.882 . 0 0 "[ . 1]" 1
236 1 13 DT H3' 1 13 DT H6 5.000 3.500 6.000 4.197 3.915 4.548 . 0 0 "[ . 1]" 1
237 1 13 DT H3' 1 14 DA H8 5.000 3.500 6.000 4.343 3.631 5.013 . 0 0 "[ . 1]" 1
238 1 11 DG H1' 1 13 DT H4' 5.000 4.000 6.500 4.112 3.946 4.529 0.054 8 0 "[ . 1]" 1
239 1 13 DT H1' 1 13 DT H4' 3.000 . 4.000 2.989 2.847 3.067 . 0 0 "[ . 1]" 1
240 1 13 DT H4' 1 13 DT H6 5.000 3.500 6.000 4.390 4.340 4.462 . 0 0 "[ . 1]" 1
241 1 13 DT H4' 1 14 DA H8 5.000 4.000 6.500 5.617 5.286 5.896 . 0 0 "[ . 1]" 1
242 1 13 DT H4' 1 15 DG H8 5.000 4.000 6.500 6.163 5.801 6.413 . 0 0 "[ . 1]" 1
243 1 11 DG H1' 1 13 DT H5' 3.000 . 4.000 3.019 2.275 3.420 . 0 0 "[ . 1]" 1
244 1 11 DG H1' 1 13 DT H5'' 5.000 4.000 6.500 4.656 4.020 5.013 . 0 0 "[ . 1]" 1
245 1 11 DG H8 1 13 DT H5' 5.000 4.000 6.500 5.658 5.383 5.891 . 0 0 "[ . 1]" 1
246 1 11 DG H8 1 13 DT H5'' 6.000 5.750 7.500 7.331 6.923 7.573 0.073 7 0 "[ . 1]" 1
247 1 12 DT H3' 1 13 DT H5'' 5.000 4.000 6.500 4.264 3.918 5.106 0.082 4 0 "[ . 1]" 1
248 1 13 DT H1' 1 13 DT Q5' 5.000 4.000 6.500 4.219 4.141 4.258 . 0 0 "[ . 1]" 1
249 1 13 DT H5' 1 13 DT H6 3.000 . 4.000 3.831 3.612 4.063 0.063 4 0 "[ . 1]" 1
250 1 13 DT H5'' 1 13 DT H6 5.000 3.500 6.000 4.615 4.453 4.842 . 0 0 "[ . 1]" 1
251 1 13 DT Q5' 1 14 DA H8 6.000 5.750 7.750 5.974 5.691 6.384 0.059 3 0 "[ . 1]" 1
252 1 11 DG H8 1 13 DT H6 5.000 4.000 6.500 4.952 4.472 5.190 . 0 0 "[ . 1]" 1
253 1 13 DT H6 1 14 DA H8 5.000 4.000 7.000 5.038 4.179 6.076 . 0 0 "[ . 1]" 1
254 1 14 DA H1' 1 14 DA H2 5.000 4.000 6.500 4.517 4.420 4.600 . 0 0 "[ . 1]" 1
255 1 14 DA H1' 1 14 DA H8 3.000 . 4.500 3.871 3.838 3.920 . 0 0 "[ . 1]" 1
256 1 14 DA H1' 1 14 DA H2'' 2.000 . 2.500 2.429 2.330 2.474 . 0 0 "[ . 1]" 1
257 1 14 DA H1' 1 14 DA H2' 2.500 . 3.500 3.028 3.013 3.032 . 0 0 "[ . 1]" 1
258 1 14 DA H2' 1 14 DA H8 2.500 . 3.500 2.749 2.025 3.202 . 0 0 "[ . 1]" 1
259 1 14 DA H2'' 1 14 DA H8 3.000 . 4.500 4.092 3.363 4.500 . 0 0 "[ . 1]" 1
260 1 14 DA H1' 1 14 DA H3' 3.000 . 4.500 3.785 3.741 3.874 . 0 0 "[ . 1]" 1
261 1 14 DA H3' 1 14 DA H8 5.000 4.000 6.500 4.649 4.249 4.921 . 0 0 "[ . 1]" 1
262 1 14 DA H3' 1 15 DG H3' 5.000 4.000 6.500 6.193 5.793 6.537 0.037 1 0 "[ . 1]" 1
263 1 13 DT H1' 1 14 DA H4' 5.000 3.500 6.000 5.018 4.398 5.412 . 0 0 "[ . 1]" 1
264 1 14 DA H1' 1 14 DA H4' 3.000 . 4.000 3.118 2.925 3.428 . 0 0 "[ . 1]" 1
265 1 14 DA H4' 1 14 DA H8 5.000 4.000 6.500 4.829 4.629 5.141 . 0 0 "[ . 1]" 1
266 1 14 DA H4' 1 15 DG H8 5.000 4.000 6.500 5.393 5.131 5.612 . 0 0 "[ . 1]" 1
267 1 13 DT H1' 1 14 DA H5' 3.000 . 4.000 2.906 2.295 3.231 . 0 0 "[ . 1]" 1
268 1 13 DT H1' 1 14 DA H5'' 5.000 3.500 6.000 4.239 3.695 4.710 . 0 0 "[ . 1]" 1
269 1 13 DT H3' 1 14 DA Q5' 5.000 4.000 6.500 5.064 4.344 5.410 . 0 0 "[ . 1]" 1
270 1 14 DA H1' 1 14 DA Q5' 5.000 4.000 6.500 4.240 4.183 4.327 . 0 0 "[ . 1]" 1
271 1 14 DA Q5' 1 14 DA H8 5.000 3.500 6.000 3.946 3.630 4.244 . 0 0 "[ . 1]" 1
272 1 14 DA Q5' 1 15 DG H8 5.000 3.500 6.000 3.588 3.284 3.959 0.216 1 0 "[ . 1]" 1
273 1 15 DG H1' 1 15 DG H8 2.500 . 3.500 2.539 2.492 2.601 . 0 0 "[ . 1]" 1
274 1 15 DG H1' 1 15 DG H2'' 2.000 . 2.500 2.162 2.067 2.319 . 0 0 "[ . 1]" 1
275 1 15 DG H1' 1 15 DG H2' 2.500 . 3.500 3.018 3.010 3.023 . 0 0 "[ . 1]" 1
276 1 15 DG H2'' 1 15 DG H8 3.000 . 4.500 3.954 3.785 4.214 . 0 0 "[ . 1]" 1
277 1 15 DG H2' 1 15 DG H8 5.000 3.500 6.000 4.606 4.506 4.709 . 0 0 "[ . 1]" 1
278 1 15 DG H2'' 1 16 DG H3' 5.000 4.000 6.500 4.686 4.302 4.938 . 0 0 "[ . 1]" 1
279 1 15 DG H2' 1 16 DG H3' 5.000 4.000 6.500 6.428 6.084 6.633 0.133 8 0 "[ . 1]" 1
280 1 15 DG H1' 1 15 DG H3' 3.000 . 4.000 3.773 3.721 3.829 . 0 0 "[ . 1]" 1
281 1 15 DG H3' 1 15 DG H8 5.000 4.000 6.500 6.085 6.055 6.116 . 0 0 "[ . 1]" 1
282 1 15 DG H1' 1 15 DG H4' 3.000 . 4.000 3.302 3.108 3.440 . 0 0 "[ . 1]" 1
283 1 15 DG H4' 1 15 DG H8 5.000 4.000 6.500 5.350 4.996 5.605 . 0 0 "[ . 1]" 1
284 1 15 DG H1' 1 15 DG H5'' 3.000 . 4.500 4.225 4.158 4.321 . 0 0 "[ . 1]" 1
285 1 15 DG H1' 1 15 DG H5' 5.000 4.000 6.500 4.794 4.731 4.851 . 0 0 "[ . 1]" 1
286 1 15 DG H3' 1 15 DG H5' 2.500 . 3.500 2.228 2.167 2.404 . 0 0 "[ . 1]" 1
287 1 15 DG H3' 1 15 DG H5'' 3.000 . 4.000 3.070 2.774 3.298 . 0 0 "[ . 1]" 1
288 1 15 DG H5' 1 15 DG H8 5.000 4.000 6.500 6.683 6.620 6.733 0.233 10 0 "[ . 1]" 1
289 1 15 DG H5'' 1 15 DG H8 5.000 3.500 6.000 5.578 5.454 5.709 . 0 0 "[ . 1]" 1
290 1 16 DG H1' 1 16 DG H8 2.500 . 3.500 2.539 2.508 2.588 . 0 0 "[ . 1]" 1
291 1 16 DG H1' 1 16 DG Q2' 2.500 . 3.500 2.108 2.027 2.236 . 0 0 "[ . 1]" 1
292 1 16 DG Q2' 1 16 DG H8 3.000 . 4.500 3.366 3.121 3.665 . 0 0 "[ . 1]" 1
293 1 15 DG H1' 1 16 DG H3' 5.000 4.000 7.000 4.939 4.366 5.469 . 0 0 "[ . 1]" 1
294 1 15 DG H8 1 16 DG H3' 5.000 4.000 6.500 5.579 5.327 5.805 . 0 0 "[ . 1]" 1
295 1 16 DG H1' 1 16 DG H3' 5.000 3.500 6.000 3.782 3.755 3.806 . 0 0 "[ . 1]" 1
296 1 16 DG H3' 1 16 DG H8 5.000 4.000 6.500 5.970 5.893 6.029 . 0 0 "[ . 1]" 1
297 1 15 DG H8 1 16 DG H4' 5.000 3.500 6.000 3.857 3.663 4.050 . 0 0 "[ . 1]" 1
298 1 16 DG H1' 1 16 DG H4' 3.000 . 4.000 2.740 2.486 2.937 . 0 0 "[ . 1]" 1
299 1 16 DG H4' 1 16 DG H8 5.000 3.500 6.000 5.169 4.859 5.455 . 0 0 "[ . 1]" 1
300 1 16 DG H1' 1 16 DG Q5' 3.000 . 4.500 4.045 3.993 4.066 . 0 0 "[ . 1]" 1
301 1 16 DG Q5' 1 16 DG H8 5.000 4.000 6.500 5.873 5.819 5.955 . 0 0 "[ . 1]" 1
302 1 18 DT C7 1 18 DT H1' 6.000 5.500 7.500 5.826 5.798 5.834 . 0 0 "[ . 1]" 1
303 1 18 DT C7 1 18 DT H6 2.500 . 3.500 2.663 2.658 2.674 . 0 0 "[ . 1]" 1
304 1 18 DT H1' 1 18 DT H6 3.000 . 4.000 3.722 3.698 3.731 . 0 0 "[ . 1]" 1
305 1 18 DT H1' 1 19 DT H6 6.000 5.500 7.500 5.696 5.442 6.242 0.058 3 0 "[ . 1]" 1
306 1 18 DT H1' 1 18 DT H2'' 2.000 . 2.500 2.287 2.220 2.370 . 0 0 "[ . 1]" 1
307 1 18 DT H1' 1 18 DT H2' 2.500 . 3.500 3.011 2.969 3.033 . 0 0 "[ . 1]" 1
308 1 18 DT H2' 1 18 DT H6 2.500 . 3.500 2.193 1.861 2.358 . 0 0 "[ . 1]" 1
309 1 18 DT H2'' 1 18 DT H6 3.000 . 4.000 3.661 3.468 3.803 . 0 0 "[ . 1]" 1
310 1 18 DT H2'' 1 19 DT H6 5.000 4.000 6.500 4.573 4.117 4.889 . 0 0 "[ . 1]" 1
311 1 18 DT H2' 1 19 DT H6 6.000 5.750 7.500 5.792 5.717 6.007 0.033 8 0 "[ . 1]" 1
312 1 18 DT H1' 1 18 DT H3' 3.000 . 4.000 3.874 3.804 3.992 . 0 0 "[ . 1]" 1
313 1 18 DT H3' 1 18 DT H6 3.000 . 4.000 3.870 3.538 4.067 0.067 2 0 "[ . 1]" 1
314 1 18 DT H3' 1 19 DT H6 5.000 4.000 6.500 4.765 4.021 5.665 . 0 0 "[ . 1]" 1
315 1 18 DT H1' 1 18 DT H4' 3.000 . 4.000 3.174 2.846 3.602 . 0 0 "[ . 1]" 1
316 1 18 DT H4' 1 18 DT H6 5.000 4.000 6.500 4.525 4.386 4.630 . 0 0 "[ . 1]" 1
317 1 18 DT H4' 1 19 DT H6 5.000 4.000 6.500 5.639 4.372 6.539 0.039 3 0 "[ . 1]" 1
318 1 18 DT H1' 1 18 DT Q5' 5.000 4.000 7.000 4.174 3.916 4.304 0.084 4 0 "[ . 1]" 1
319 1 18 DT Q5' 1 18 DT H6 3.000 . 4.500 3.387 1.995 4.093 0.005 4 0 "[ . 1]" 1
320 1 18 DT H1' 1 19 DT C7 5.000 4.000 6.500 5.982 5.597 6.530 0.030 2 0 "[ . 1]" 1
321 1 18 DT H6 1 19 DT C7 6.000 5.750 7.500 7.382 7.165 7.553 0.053 3 0 "[ . 1]" 1
322 1 19 DT C7 1 19 DT H1' 5.000 4.000 6.500 5.825 5.810 5.840 . 0 0 "[ . 1]" 1
323 1 19 DT C7 1 19 DT H6 2.500 . 3.500 2.661 2.651 2.671 . 0 0 "[ . 1]" 1
324 1 19 DT C7 1 20 DA H2 6.000 5.000 7.500 6.291 5.288 7.487 . 0 0 "[ . 1]" 1
325 1 19 DT C7 1 20 DA H8 6.000 5.750 7.750 7.114 6.445 7.654 . 0 0 "[ . 1]" 1
326 1 19 DT H1' 1 19 DT H6 3.000 . 4.000 3.713 3.689 3.733 . 0 0 "[ . 1]" 1
327 1 19 DT H1' 1 20 DA H8 5.000 4.000 6.500 5.571 4.694 6.238 . 0 0 "[ . 1]" 1
328 1 19 DT H1' 1 19 DT H2'' 2.000 . 2.500 2.177 1.961 2.377 . 0 0 "[ . 1]" 1
329 1 19 DT H1' 1 19 DT H2' 3.000 . 4.000 2.996 2.830 3.023 . 0 0 "[ . 1]" 1
330 1 19 DT H2' 1 19 DT H2'' 2.000 . 2.500 1.791 1.788 1.793 . 0 0 "[ . 1]" 1
331 1 19 DT H2' 1 19 DT H6 2.500 . 3.500 2.459 2.219 2.684 . 0 0 "[ . 1]" 1
332 1 19 DT H2'' 1 19 DT H6 3.000 . 4.000 3.804 3.613 3.972 . 0 0 "[ . 1]" 1
333 1 19 DT H2'' 1 20 DA Q5' 3.000 . 4.000 2.822 2.008 3.417 . 0 0 "[ . 1]" 1
334 1 19 DT H2'' 1 20 DA H8 3.000 . 4.000 3.476 2.657 3.987 . 0 0 "[ . 1]" 1
335 1 19 DT H2' 1 20 DA H8 5.000 3.500 6.000 3.488 3.379 3.629 0.121 7 0 "[ . 1]" 1
336 1 18 DT H1' 1 19 DT H3' 5.000 4.000 7.000 6.751 6.189 7.046 0.046 2 0 "[ . 1]" 1
337 1 18 DT H3' 1 19 DT H3' 5.000 4.000 6.500 5.617 4.157 6.525 0.025 9 0 "[ . 1]" 1
338 1 19 DT H1' 1 19 DT H3' 5.000 3.500 6.000 3.875 3.820 3.905 . 0 0 "[ . 1]" 1
339 1 19 DT H3' 1 19 DT H6 3.000 . 4.500 3.876 2.232 4.357 . 0 0 "[ . 1]" 1
340 1 19 DT H3' 1 20 DA H8 5.000 3.500 6.000 4.196 3.838 4.675 . 0 0 "[ . 1]" 1
341 1 19 DT H1' 1 19 DT H4' 3.000 . 4.000 3.316 3.112 3.452 . 0 0 "[ . 1]" 1
342 1 19 DT H4' 1 19 DT H6 5.000 3.500 6.000 4.295 4.160 4.434 . 0 0 "[ . 1]" 1
343 1 19 DT H4' 1 20 DA H8 5.000 4.000 7.000 6.465 5.458 6.803 . 0 0 "[ . 1]" 1
344 1 18 DT H3' 1 19 DT Q5' 5.000 4.000 6.500 5.238 4.162 5.628 . 0 0 "[ . 1]" 1
345 1 19 DT H1' 1 19 DT Q5' 5.000 4.000 7.000 4.260 3.959 4.329 0.041 3 0 "[ . 1]" 1
346 1 19 DT Q5' 1 19 DT H6 3.000 . 5.000 3.213 2.169 3.838 . 0 0 "[ . 1]" 1
347 1 19 DT H6 1 20 DA H8 5.000 4.000 6.500 5.566 5.068 5.813 . 0 0 "[ . 1]" 1
348 1 20 DA H1' 1 20 DA H8 3.000 . 4.500 3.821 3.714 3.902 . 0 0 "[ . 1]" 1
349 1 20 DA H1' 1 20 DA H2'' 2.000 . 2.500 2.253 2.033 2.459 . 0 0 "[ . 1]" 1
350 1 20 DA H1' 1 20 DA H2' 2.500 . 3.500 2.987 2.721 3.036 . 0 0 "[ . 1]" 1
351 1 20 DA H2' 1 20 DA H8 2.500 . 3.500 2.191 2.067 2.722 . 0 0 "[ . 1]" 1
352 1 20 DA H2'' 1 20 DA H8 3.000 . 4.000 3.271 2.817 4.049 0.049 8 0 "[ . 1]" 1
353 1 20 DA H1' 1 20 DA H3' 3.000 . 4.500 3.828 3.738 4.035 . 0 0 "[ . 1]" 1
354 1 20 DA H3' 1 20 DA H8 3.000 . 4.500 4.071 2.076 4.539 0.039 7 0 "[ . 1]" 1
355 1 19 DT H1' 1 20 DA H4' 5.000 4.000 6.500 5.182 4.375 6.377 . 0 0 "[ . 1]" 1
356 1 20 DA H1' 1 20 DA H4' 3.000 . 4.000 3.106 2.783 3.588 . 0 0 "[ . 1]" 1
357 1 20 DA H4' 1 20 DA H8 5.000 4.000 6.500 5.201 4.385 5.465 . 0 0 "[ . 1]" 1
358 1 19 DT H1' 1 20 DA H5' 3.000 . 4.000 3.237 2.677 4.043 0.043 8 0 "[ . 1]" 1
359 1 19 DT H1' 1 20 DA H5'' 5.000 4.000 6.500 4.818 3.978 5.560 0.022 7 0 "[ . 1]" 1
360 1 20 DA H1' 1 20 DA Q5' 5.000 4.000 6.500 4.239 4.156 4.358 . 0 0 "[ . 1]" 1
361 1 20 DA Q5' 1 20 DA H8 5.000 4.000 6.500 4.685 3.662 5.240 0.338 8 0 "[ . 1]" 1
362 1 21 DG H1' 1 21 DG H8 2.500 . 3.500 2.576 2.553 2.590 . 0 0 "[ . 1]" 1
363 1 21 DG H1' 1 22 DG H8 5.000 3.500 6.000 4.304 4.163 4.576 . 0 0 "[ . 1]" 1
364 1 21 DG H1' 1 21 DG H2'' 2.000 . 2.500 2.136 2.008 2.201 . 0 0 "[ . 1]" 1
365 1 21 DG H1' 1 21 DG H2' 3.000 . 4.000 3.025 3.022 3.030 . 0 0 "[ . 1]" 1
366 1 21 DG H2' 1 21 DG H8 5.000 4.000 6.500 4.512 4.428 4.600 . 0 0 "[ . 1]" 1
367 1 21 DG H2'' 1 21 DG H8 5.000 3.500 6.000 3.708 3.471 3.915 0.029 10 0 "[ . 1]" 1
368 1 21 DG H2'' 1 22 DG H3' 5.000 4.000 6.500 4.484 4.232 4.666 . 0 0 "[ . 1]" 1
369 1 21 DG H2' 1 22 DG H3' 5.000 4.000 6.500 6.123 5.746 6.360 . 0 0 "[ . 1]" 1
370 1 21 DG H2'' 1 22 DG H8 2.500 . 3.500 2.296 2.115 2.480 . 0 0 "[ . 1]" 1
371 1 21 DG H2' 1 22 DG H8 2.500 . 3.500 2.924 2.672 3.119 . 0 0 "[ . 1]" 1
372 1 21 DG H1' 1 21 DG H3' 3.000 . 4.500 3.805 3.766 3.835 . 0 0 "[ . 1]" 1
373 1 21 DG H3' 1 21 DG H8 5.000 4.000 6.500 6.085 6.028 6.150 . 0 0 "[ . 1]" 1
374 1 21 DG H3' 1 22 DG H8 5.000 3.500 6.000 4.436 4.204 4.657 . 0 0 "[ . 1]" 1
375 1 21 DG H1' 1 21 DG H4' 3.000 . 4.000 2.891 2.667 3.240 . 0 0 "[ . 1]" 1
376 1 21 DG H4' 1 21 DG H8 5.000 3.500 6.000 5.252 4.980 5.487 . 0 0 "[ . 1]" 1
377 1 21 DG H8 1 22 DG H8 5.000 4.000 6.500 5.026 4.670 5.235 . 0 0 "[ . 1]" 1
378 1 21 DG H8 1 22 DG H1' 5.000 4.000 6.500 3.963 3.936 4.070 0.064 4 0 "[ . 1]" 1
379 1 22 DG H1' 1 22 DG H8 3.000 . 4.500 3.920 3.915 3.926 . 0 0 "[ . 1]" 1
380 1 22 DG H1' 1 23 DG H8 3.000 . 4.000 3.425 3.077 3.825 . 0 0 "[ . 1]" 1
381 1 21 DG H1' 1 22 DG H2'' 5.000 4.000 6.500 6.085 5.804 6.439 . 0 0 "[ . 1]" 1
382 1 22 DG H1' 1 22 DG H2'' 2.000 . 2.500 2.179 2.122 2.233 . 0 0 "[ . 1]" 1
383 1 22 DG H1' 1 22 DG H2' 3.000 . 4.000 3.020 3.007 3.025 . 0 0 "[ . 1]" 1
384 1 22 DG H2' 1 22 DG H8 2.500 . 3.500 2.419 2.341 2.533 . 0 0 "[ . 1]" 1
385 1 22 DG H2'' 1 22 DG H8 3.000 . 4.500 3.720 3.596 3.889 . 0 0 "[ . 1]" 1
386 1 22 DG H2'' 1 23 DG H1' 5.000 4.000 6.500 5.331 4.892 5.673 . 0 0 "[ . 1]" 1
387 1 22 DG H2'' 1 23 DG H8 2.500 . 3.500 2.356 2.123 2.629 . 0 0 "[ . 1]" 1
388 1 22 DG H2' 1 23 DG H8 3.000 . 4.500 3.633 3.212 3.997 . 0 0 "[ . 1]" 1
389 1 21 DG H1' 1 22 DG H3' 5.000 4.000 6.500 5.440 5.221 5.666 . 0 0 "[ . 1]" 1
390 1 21 DG H8 1 22 DG H3' 6.000 5.750 7.750 6.314 6.039 6.564 . 0 0 "[ . 1]" 1
391 1 22 DG H1' 1 22 DG H3' 3.000 . 4.500 3.841 3.806 3.885 . 0 0 "[ . 1]" 1
392 1 22 DG H3' 1 22 DG H8 3.000 . 4.500 4.298 4.075 4.431 . 0 0 "[ . 1]" 1
393 1 22 DG H3' 1 23 DG H8 5.000 4.000 6.500 5.279 5.003 5.569 . 0 0 "[ . 1]" 1
394 1 22 DG H1' 1 22 DG H4' 3.000 . 4.000 3.032 2.847 3.186 . 0 0 "[ . 1]" 1
395 1 22 DG H4' 1 22 DG H8 5.000 4.000 6.500 4.962 4.921 5.006 . 0 0 "[ . 1]" 1
396 1 21 DG H1' 1 22 DG H5' 2.500 . 3.500 2.415 2.271 2.743 . 0 0 "[ . 1]" 1
397 1 21 DG H1' 1 22 DG H5'' 3.000 . 4.500 4.161 4.001 4.469 . 0 0 "[ . 1]" 1
398 1 22 DG H1' 1 22 DG H5'' 5.000 4.000 6.500 4.936 4.898 4.988 . 0 0 "[ . 1]" 1
399 1 22 DG H1' 1 22 DG H5' 5.000 4.000 6.500 4.606 4.522 4.663 . 0 0 "[ . 1]" 1
400 1 22 DG H5'' 1 22 DG H8 5.000 4.000 6.500 5.109 4.881 5.284 . 0 0 "[ . 1]" 1
401 1 22 DG H5' 1 22 DG H8 5.000 4.000 6.500 4.523 4.383 4.663 . 0 0 "[ . 1]" 1
402 1 23 DG H1' 1 23 DG H8 3.000 . 4.500 3.897 3.884 3.916 . 0 0 "[ . 1]" 1
403 1 23 DG H1' 1 24 DA H2 6.000 5.750 7.500 7.406 7.004 7.517 0.017 7 0 "[ . 1]" 1
404 1 23 DG H1' 1 24 DA H8 5.000 4.000 6.500 4.326 4.025 4.884 . 0 0 "[ . 1]" 1
405 1 23 DG H1' 1 23 DG H2'' 2.000 . 2.500 2.070 1.914 2.220 . 0 0 "[ . 1]" 1
406 1 23 DG H1' 1 23 DG H2' 2.500 . 3.500 3.003 2.981 3.011 . 0 0 "[ . 1]" 1
407 1 23 DG H2' 1 23 DG H8 2.500 . 3.500 2.869 2.724 2.984 . 0 0 "[ . 1]" 1
408 1 23 DG H2'' 1 23 DG H8 3.000 . 4.500 4.106 3.912 4.202 . 0 0 "[ . 1]" 1
409 1 23 DG H2'' 1 24 DA H8 3.000 . 4.000 2.482 2.156 3.062 . 0 0 "[ . 1]" 1
410 1 23 DG H2' 1 24 DA H8 3.000 . 4.500 2.537 2.271 2.978 . 0 0 "[ . 1]" 1
411 1 23 DG H1' 1 23 DG H3' 5.000 3.500 6.000 3.886 3.869 3.899 . 0 0 "[ . 1]" 1
412 1 23 DG H3' 1 23 DG H8 5.000 3.500 6.000 4.080 3.793 4.223 . 0 0 "[ . 1]" 1
413 1 23 DG H3' 1 24 DA H8 5.000 4.000 6.500 4.353 4.059 4.851 . 0 0 "[ . 1]" 1
414 1 23 DG H1' 1 23 DG H4' 3.000 . 4.000 2.765 2.615 2.830 . 0 0 "[ . 1]" 1
415 1 23 DG H4' 1 23 DG H8 5.000 4.000 6.500 4.796 4.752 4.866 . 0 0 "[ . 1]" 1
416 1 23 DG H4' 1 24 DA H3' 5.000 4.000 6.500 6.447 6.288 6.688 0.188 3 0 "[ . 1]" 1
417 1 23 DG H1' 1 23 DG H5'' 5.000 4.000 6.500 4.868 4.784 4.905 . 0 0 "[ . 1]" 1
418 1 23 DG H1' 1 23 DG H5' 5.000 4.000 6.500 4.478 4.382 4.519 . 0 0 "[ . 1]" 1
419 1 23 DG H5'' 1 23 DG H8 5.000 3.500 6.000 5.248 5.153 5.502 . 0 0 "[ . 1]" 1
420 1 23 DG H5' 1 23 DG H8 5.000 3.500 6.000 4.486 4.368 4.736 . 0 0 "[ . 1]" 1
421 1 22 DG H8 1 23 DG H8 5.000 4.000 6.500 4.737 4.443 4.968 . 0 0 "[ . 1]" 1
422 1 23 DG H8 1 24 DA H8 5.000 4.000 6.500 4.779 4.548 4.992 . 0 0 "[ . 1]" 1
423 1 14 DA H2 1 24 DA H1' 5.000 3.500 6.000 4.970 4.405 5.686 . 0 0 "[ . 1]" 1
424 1 24 DA H1' 1 24 DA H2 5.000 4.000 6.500 4.559 4.462 4.724 . 0 0 "[ . 1]" 1
425 1 24 DA H1' 1 24 DA H8 3.000 . 4.500 3.855 3.766 3.908 . 0 0 "[ . 1]" 1
426 1 14 DA H2 1 24 DA H2'' 5.000 4.000 6.500 4.247 3.990 5.139 0.010 3 0 "[ . 1]" 1
427 1 24 DA H1' 1 24 DA H2'' 2.000 . 2.500 2.394 1.953 2.528 0.028 7 0 "[ . 1]" 1
428 1 24 DA H1' 1 24 DA H2' 2.500 . 3.500 3.008 2.855 3.033 . 0 0 "[ . 1]" 1
429 1 24 DA H2' 1 24 DA H8 2.500 . 3.500 2.209 2.080 2.620 . 0 0 "[ . 1]" 1
430 1 24 DA H2'' 1 24 DA H8 3.000 . 4.000 3.501 3.115 4.025 0.025 1 0 "[ . 1]" 1
431 1 23 DG H1' 1 24 DA H3' 5.000 4.000 6.500 5.537 5.231 5.811 . 0 0 "[ . 1]" 1
432 1 24 DA H1' 1 24 DA H3' 3.000 . 4.500 3.806 3.766 3.896 . 0 0 "[ . 1]" 1
433 1 24 DA H3' 1 24 DA H8 3.000 . 4.500 4.107 2.562 4.442 . 0 0 "[ . 1]" 1
434 1 24 DA H1' 1 24 DA H4' 3.000 . 4.000 2.984 2.749 3.151 . 0 0 "[ . 1]" 1
435 1 24 DA H4' 1 24 DA H8 5.000 4.000 6.500 5.194 4.694 5.455 . 0 0 "[ . 1]" 1
436 1 23 DG H1' 1 24 DA Q5' 3.000 . 5.000 3.266 2.472 3.609 . 0 0 "[ . 1]" 1
437 1 23 DG H3' 1 24 DA Q5' 5.000 3.500 6.000 5.120 4.237 5.371 . 0 0 "[ . 1]" 1
438 1 24 DA H1' 1 24 DA Q5' 5.000 4.000 6.500 4.202 4.128 4.227 . 0 0 "[ . 1]" 1
439 1 24 DA Q5' 1 24 DA H8 5.000 4.000 6.500 4.694 4.095 5.048 . 0 0 "[ . 1]" 1
440 1 1 DT C7 1 9 8OG H7 4.000 2.800 5.200 4.201 3.804 4.521 . 0 0 "[ . 1]" 1
441 1 1 DT H1' 1 9 8OG H1 4.000 2.800 5.200 3.065 2.794 3.507 0.006 1 0 "[ . 1]" 1
442 1 1 DT H6 1 9 8OG H1 5.000 3.500 6.500 4.424 3.983 5.199 . 0 0 "[ . 1]" 1
443 1 2 DT C7 1 9 8OG H1 5.000 3.500 6.500 6.416 6.146 6.657 0.157 5 0 "[ . 1]" 1
444 1 2 DT H1' 1 3 DG H1 5.000 3.500 6.500 4.902 3.721 5.648 . 0 0 "[ . 1]" 1
445 1 2 DT H4' 1 3 DG H1 5.000 3.500 6.500 5.129 3.983 5.681 . 0 0 "[ . 1]" 1
446 1 3 DG H8 1 4 DG H1 5.000 3.500 6.500 6.053 5.825 6.425 . 0 0 "[ . 1]" 1
447 1 3 DG H8 1 9 8OG H1 5.000 3.500 6.500 5.830 5.470 6.055 . 0 0 "[ . 1]" 1
448 1 4 DG H1 1 4 DG H1' 5.000 3.500 6.500 5.833 5.796 5.879 . 0 0 "[ . 1]" 1
449 1 4 DG H1 1 9 8OG H1 4.000 2.800 5.200 3.173 2.772 3.563 0.028 2 0 "[ . 1]" 1
450 1 4 DG H2'' 1 23 DG H1 5.000 3.500 6.500 5.972 5.459 6.409 . 0 0 "[ . 1]" 1
451 1 4 DG H2' 1 23 DG H1 5.000 3.500 6.500 6.189 5.616 6.470 . 0 0 "[ . 1]" 1
452 1 4 DG H8 1 22 DG H1 5.000 3.500 6.500 5.459 5.296 5.637 . 0 0 "[ . 1]" 1
453 1 4 DG H8 1 23 DG H1 5.000 3.500 6.500 5.583 5.256 5.877 . 0 0 "[ . 1]" 1
454 1 4 DG H1 1 5 DG H1 5.000 3.500 6.500 3.735 3.432 3.999 0.068 2 0 "[ . 1]" 1
455 1 5 DG H8 1 23 DG H1 5.000 3.500 6.500 5.530 5.261 5.819 . 0 0 "[ . 1]" 1
456 1 10 DG H1 1 16 DG H1 5.000 3.500 6.500 4.366 4.297 4.499 . 0 0 "[ . 1]" 1
457 1 5 DG H1 1 10 DG H1 4.000 2.800 5.200 4.719 4.368 5.163 . 0 0 "[ . 1]" 1
458 1 4 DG H1 1 10 DG H8 5.000 3.500 6.500 5.318 5.120 5.533 . 0 0 "[ . 1]" 1
459 1 5 DG H1 1 10 DG H8 4.000 2.800 5.200 4.526 4.121 5.152 . 0 0 "[ . 1]" 1
460 1 10 DG H1 1 11 DG H1 4.000 2.800 5.200 3.529 3.243 3.840 . 0 0 "[ . 1]" 1
461 1 5 DG H1 1 11 DG H8 5.000 3.500 6.500 5.266 5.200 5.382 . 0 0 "[ . 1]" 1
462 1 5 DG H1 1 13 DT C7 4.000 2.800 5.200 4.770 4.629 5.252 0.052 7 0 "[ . 1]" 1
463 1 11 DG H1 1 13 DT H1' 4.000 2.800 5.000 3.431 3.006 3.704 . 0 0 "[ . 1]" 1
464 1 13 DT H1' 1 15 DG H1 5.000 3.500 6.500 5.481 5.246 6.035 . 0 0 "[ . 1]" 1
465 1 11 DG H1 1 13 DT H2'' 5.000 3.500 6.500 5.468 4.844 5.985 . 0 0 "[ . 1]" 1
466 1 11 DG H1 1 13 DT H4' 5.000 3.500 6.500 5.510 5.104 5.944 . 0 0 "[ . 1]" 1
467 1 14 DA H1' 1 15 DG H1 5.000 3.500 6.500 5.285 4.637 5.744 . 0 0 "[ . 1]" 1
468 1 11 DG H1 1 15 DG H8 5.000 3.500 6.500 5.493 5.136 5.921 . 0 0 "[ . 1]" 1
469 1 16 DG H1 1 21 DG H1 4.000 2.800 5.200 3.420 3.282 3.671 . 0 0 "[ . 1]" 1
470 1 10 DG H1 1 16 DG H8 5.000 3.500 6.500 5.420 5.249 5.639 . 0 0 "[ . 1]" 1
471 1 20 DA H1' 1 21 DG H1 4.000 2.800 5.200 4.595 3.783 5.126 . 0 0 "[ . 1]" 1
472 1 20 DA H2 1 21 DG H1 4.000 2.800 5.200 3.176 2.754 3.934 0.046 4 0 "[ . 1]" 1
473 1 3 DG H1 1 20 DA H2 4.000 2.800 5.200 5.017 3.854 5.275 0.075 1 0 "[ . 1]" 1
474 1 9 8OG H1 1 20 DA H2 5.000 3.500 6.500 5.390 4.343 5.822 . 0 0 "[ . 1]" 1
475 1 3 DG H1 1 21 DG H8 5.000 3.500 6.500 5.234 5.124 5.338 . 0 0 "[ . 1]" 1
476 1 3 DG H1 1 22 DG H1 4.000 2.800 5.200 3.412 3.065 3.677 . 0 0 "[ . 1]" 1
477 1 15 DG H1 1 22 DG H8 5.000 3.500 6.500 6.100 5.608 6.404 . 0 0 "[ . 1]" 1
478 1 16 DG H1 1 22 DG H8 5.000 3.500 6.500 5.204 5.083 5.346 . 0 0 "[ . 1]" 1
479 1 15 DG H1 1 23 DG H1 5.000 3.500 6.500 4.132 4.071 4.168 . 0 0 "[ . 1]" 1
480 1 22 DG H1 1 23 DG H1 4.000 2.800 5.200 3.801 3.527 4.153 . 0 0 "[ . 1]" 1
481 1 22 DG H1 1 23 DG H1' 5.000 3.500 6.000 5.992 5.893 6.023 0.023 1 0 "[ . 1]" 1
482 1 4 DG H1 1 23 DG H1 5.000 3.500 6.500 4.005 3.751 4.343 . 0 0 "[ . 1]" 1
483 1 5 DG H1 1 23 DG H1 5.000 3.500 6.500 4.175 4.085 4.229 . 0 0 "[ . 1]" 1
484 1 15 DG H1 1 23 DG H8 5.000 3.500 6.500 5.206 5.000 5.408 . 0 0 "[ . 1]" 1
485 1 11 DG H1 1 24 DA H2 5.000 3.500 6.500 6.391 6.214 6.526 0.026 3 0 "[ . 1]" 1
486 1 15 DG H1 1 24 DA H2 5.000 3.500 6.500 5.957 5.660 6.335 . 0 0 "[ . 1]" 1
487 1 23 DG H1 1 24 DA H2 4.000 2.800 5.200 3.431 3.191 3.672 . 0 0 "[ . 1]" 1
488 1 5 DG H1 1 24 DA H2 4.000 2.800 5.200 4.509 4.288 4.971 . 0 0 "[ . 1]" 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 55
_Distance_constraint_stats_list.Viol_count 251
_Distance_constraint_stats_list.Viol_total 92.665
_Distance_constraint_stats_list.Viol_max 0.164
_Distance_constraint_stats_list.Viol_rms 0.0276
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0168
_Distance_constraint_stats_list.Viol_average_violations_only 0.0369
_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 DT 1.915 0.117 4 0 "[ . 1]"
1 3 DG 0.862 0.065 7 0 "[ . 1]"
1 4 DG 2.172 0.075 6 0 "[ . 1]"
1 5 DG 1.193 0.070 1 0 "[ . 1]"
1 9 8OG 0.340 0.065 7 0 "[ . 1]"
1 10 DG 1.415 0.075 6 0 "[ . 1]"
1 11 DG 0.937 0.070 1 0 "[ . 1]"
1 13 DT 2.078 0.164 4 0 "[ . 1]"
1 15 DG 0.722 0.050 7 0 "[ . 1]"
1 16 DG 0.324 0.065 1 0 "[ . 1]"
1 20 DA 1.915 0.117 4 0 "[ . 1]"
1 21 DG 0.523 0.058 3 0 "[ . 1]"
1 22 DG 1.080 0.065 1 0 "[ . 1]"
1 23 DG 0.978 0.064 7 0 "[ . 1]"
1 24 DA 2.078 0.164 4 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 3 DG H21 1 21 DG N7 1.990 . 2.090 1.966 1.842 2.096 0.048 3 0 "[ . 1]" 2
2 1 3 DG N2 1 21 DG N7 2.900 2.800 3.000 2.910 2.812 3.016 0.016 9 0 "[ . 1]" 2
3 1 3 DG H1 1 21 DG O6 1.950 . 2.050 1.889 1.827 1.961 0.023 4 0 "[ . 1]" 2
4 1 3 DG N1 1 21 DG O6 2.950 2.850 3.050 2.873 2.819 2.929 0.031 6 0 "[ . 1]" 2
5 1 3 DG N7 1 9 8OG H21 1.990 . 3.090 2.276 1.954 2.492 . 0 0 "[ . 1]" 2
6 1 3 DG N7 1 9 8OG N2 2.900 . 4.000 3.172 2.884 3.367 . 0 0 "[ . 1]" 2
7 1 3 DG O6 1 9 8OG H1 1.950 . 2.050 1.865 1.785 1.956 0.065 7 0 "[ . 1]" 2
8 1 3 DG O6 1 9 8OG N1 2.950 2.850 3.050 2.861 2.788 2.958 0.062 7 0 "[ . 1]" 2
9 1 3 DG O6 1 21 DG O6 3.150 3.000 3.300 3.327 3.306 3.358 0.058 3 0 "[ . 1]" 2
10 1 4 DG H21 1 10 DG N7 1.990 . 2.090 1.912 1.815 2.100 0.075 6 0 "[ . 1]" 2
11 1 4 DG N2 1 10 DG N7 2.900 2.800 3.000 2.854 2.769 3.051 0.051 2 0 "[ . 1]" 2
12 1 4 DG H1 1 10 DG O6 1.950 . 2.150 1.713 1.691 1.754 0.059 1 0 "[ . 1]" 2
13 1 4 DG N1 1 10 DG O6 2.950 2.750 3.150 2.703 2.683 2.739 0.067 3 0 "[ . 1]" 2
14 1 10 DG H21 1 16 DG N7 1.990 . 2.190 1.918 1.782 2.111 0.008 9 0 "[ . 1]" 2
15 1 10 DG N2 1 16 DG N7 2.900 2.700 3.100 2.840 2.716 3.023 . 0 0 "[ . 1]" 2
16 1 10 DG H1 1 16 DG O6 1.950 . 2.150 1.964 1.875 2.099 . 0 0 "[ . 1]" 2
17 1 10 DG N1 1 16 DG O6 2.950 2.750 3.150 2.953 2.877 3.060 . 0 0 "[ . 1]" 2
18 1 16 DG H21 1 22 DG N7 1.990 . 2.190 2.079 1.957 2.207 0.017 9 0 "[ . 1]" 2
19 1 16 DG N2 1 22 DG N7 2.900 2.700 3.100 3.055 2.926 3.165 0.065 1 0 "[ . 1]" 2
20 1 16 DG H1 1 22 DG O6 1.950 . 2.150 1.790 1.738 1.853 0.012 7 0 "[ . 1]" 2
21 1 16 DG N1 1 22 DG O6 2.950 2.750 3.150 2.761 2.711 2.818 0.039 8 0 "[ . 1]" 2
22 1 4 DG N7 1 22 DG H21 1.990 . 2.090 1.909 1.864 1.974 0.026 5 0 "[ . 1]" 2
23 1 4 DG N7 1 22 DG N2 2.900 2.800 3.000 2.815 2.783 2.843 0.017 8 0 "[ . 1]" 2
24 1 4 DG O6 1 22 DG H1 1.950 . 2.050 1.822 1.796 1.894 0.054 9 0 "[ . 1]" 2
25 1 4 DG O6 1 22 DG N1 2.950 2.850 3.050 2.823 2.799 2.898 0.051 9 0 "[ . 1]" 2
26 1 4 DG O6 1 10 DG O6 3.150 3.000 3.300 3.271 3.172 3.335 0.035 2 0 "[ . 1]" 2
27 1 16 DG O6 1 22 DG O6 3.150 3.000 3.300 3.138 3.075 3.321 0.021 2 0 "[ . 1]" 2
28 1 5 DG H21 1 11 DG N7 1.990 . 2.090 2.012 1.926 2.094 0.004 4 0 "[ . 1]" 2
29 1 5 DG N2 1 11 DG N7 2.900 2.800 3.000 2.931 2.842 3.003 0.003 4 0 "[ . 1]" 2
30 1 5 DG H1 1 11 DG O6 1.950 . 2.050 1.841 1.815 1.873 0.035 4 0 "[ . 1]" 2
31 1 5 DG N1 1 11 DG O6 2.950 2.850 3.050 2.801 2.780 2.816 0.070 1 0 "[ . 1]" 2
32 1 11 DG H21 1 15 DG N7 1.990 . 2.190 1.921 1.793 2.153 . 0 0 "[ . 1]" 2
33 1 11 DG N2 1 15 DG N7 2.900 2.700 3.100 2.813 2.677 2.994 0.023 5 0 "[ . 1]" 2
34 1 11 DG H1 1 15 DG O6 1.950 . 2.150 1.757 1.713 1.863 0.037 1 0 "[ . 1]" 2
35 1 11 DG N1 1 15 DG O6 2.950 2.750 3.150 2.758 2.716 2.865 0.034 9 0 "[ . 1]" 2
36 1 15 DG H21 1 23 DG N7 1.990 . 2.190 1.926 1.809 2.100 . 0 0 "[ . 1]" 2
37 1 15 DG N2 1 23 DG N7 2.900 2.700 3.100 2.873 2.770 3.032 . 0 0 "[ . 1]" 2
38 1 15 DG H1 1 23 DG O6 1.950 . 2.150 1.744 1.729 1.756 0.021 1 0 "[ . 1]" 2
39 1 15 DG N1 1 23 DG O6 2.950 2.750 3.150 2.715 2.700 2.738 0.050 7 0 "[ . 1]" 2
40 1 5 DG N7 1 23 DG H21 1.990 . 2.090 1.941 1.863 2.047 0.027 1 0 "[ . 1]" 2
41 1 5 DG N7 1 23 DG N2 2.900 2.800 3.000 2.815 2.736 2.904 0.064 7 0 "[ . 1]" 2
42 1 5 DG O6 1 23 DG H1 1.950 . 2.050 1.842 1.818 1.898 0.032 10 0 "[ . 1]" 2
43 1 5 DG O6 1 23 DG N1 2.950 2.850 3.050 2.842 2.813 2.898 0.037 8 0 "[ . 1]" 2
44 1 5 DG O6 1 11 DG O6 3.150 3.000 3.300 3.261 3.196 3.340 0.040 9 0 "[ . 1]" 2
45 1 15 DG O6 1 23 DG O6 3.150 3.000 3.300 3.163 2.989 3.312 0.012 3 0 "[ . 1]" 2
46 1 13 DT O4 1 24 DA H2 2.000 . 2.200 2.282 2.243 2.321 0.121 5 0 "[ . 1]" 2
47 1 13 DT N3 1 24 DA N1 3.000 2.800 3.200 2.684 2.636 2.712 0.164 4 0 "[ . 1]" 2
48 1 13 DT H3 1 24 DA N1 2.000 . 2.200 1.931 1.847 2.049 . 0 0 "[ . 1]" 2
49 1 13 DT O2 1 24 DA H61 2.000 . 2.200 2.184 2.057 2.227 0.027 9 0 "[ . 1]" 2
50 1 13 DT O2 1 24 DA N6 3.000 2.800 3.200 3.123 2.993 3.217 0.017 9 0 "[ . 1]" 2
51 1 1 DT O2 1 20 DA H2 2.000 . 2.200 2.243 2.176 2.309 0.109 2 0 "[ . 1]" 2
52 1 1 DT N3 1 20 DA N1 3.000 2.800 3.200 2.703 2.683 2.734 0.117 4 0 "[ . 1]" 2
53 1 1 DT H3 1 20 DA N1 2.000 . 2.200 1.781 1.735 1.812 0.065 7 0 "[ . 1]" 2
54 1 1 DT O4 1 20 DA H61 2.000 . 2.200 2.203 2.126 2.243 0.043 10 0 "[ . 1]" 2
55 1 1 DT O4 1 20 DA N6 3.000 2.800 3.200 3.190 3.119 3.237 0.037 10 0 "[ . 1]" 2
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