NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
379800 |
1i5v   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1i5v
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 324
_Distance_constraint_stats_list.Viol_count 877
_Distance_constraint_stats_list.Viol_total 985.292
_Distance_constraint_stats_list.Viol_max 1.015
_Distance_constraint_stats_list.Viol_rms 0.0424
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0063
_Distance_constraint_stats_list.Viol_average_violations_only 0.0511
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 DC 4.392 0.771 4 1 "[ +. 1 . 2 ]"
1 2 DG 3.148 0.142 8 0 "[ . 1 . 2 ]"
1 3 DA 3.698 0.223 1 0 "[ . 1 . 2 ]"
1 4 DT 2.247 0.216 3 0 "[ . 1 . 2 ]"
1 5 DC 11.074 0.889 11 5 "[- . * 1+ * * 2 ]"
1 6 DG 5.692 0.448 15 0 "[ . 1 . 2 ]"
2 1 DC 3.845 0.573 12 1 "[ . 1 + . 2 ]"
2 2 DG 3.286 0.162 6 0 "[ . 1 . 2 ]"
2 3 DA 3.636 0.228 1 0 "[ . 1 . 2 ]"
2 4 DT 2.349 0.228 1 0 "[ . 1 . 2 ]"
2 5 DC 13.551 1.015 5 7 "[** +-* 1* * . 2 ]"
2 6 DG 8.291 0.723 11 4 "[ *- 1+ * . 2 ]"
3 1 PPZ 8.182 0.889 11 6 "[* . * 1+- * * 2 ]"
4 1 PPZ 8.145 1.015 5 8 "[*- *+** 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 1 1 DC H1' 1 1 DC H2' 2.965 2.400 3.261 2.972 2.717 3.052 . 0 0 "[ . 1 . 2 ]" 1
2 1 1 DC H1' 1 1 DC H2'' 2.415 . 2.657 2.412 2.327 2.506 . 0 0 "[ . 1 . 2 ]" 1
3 1 1 DC H1' 1 1 DC H3' 3.868 . 4.255 3.855 3.684 4.120 . 0 0 "[ . 1 . 2 ]" 1
4 1 1 DC H1' 1 1 DC H6 3.111 . 3.733 3.581 3.249 3.700 . 0 0 "[ . 1 . 2 ]" 1
5 1 1 DC H1' 4 1 PPZ H6 4.994 . 7.000 6.649 6.196 7.771 0.771 4 1 "[ +. 1 . 2 ]" 1
6 1 1 DC H2' 1 1 DC H2'' 2.132 . 2.345 1.784 1.752 1.800 . 0 0 "[ . 1 . 2 ]" 1
7 1 1 DC H2' 1 1 DC H3' 2.473 . 2.720 2.392 2.239 2.474 . 0 0 "[ . 1 . 2 ]" 1
8 1 1 DC H2' 1 1 DC H4' 3.549 . 3.904 3.734 3.589 3.993 0.090 5 0 "[ . 1 . 2 ]" 1
9 1 1 DC H2' 1 1 DC H5 3.607 . 4.328 3.952 3.687 4.153 . 0 0 "[ . 1 . 2 ]" 1
10 1 1 DC H2' 1 1 DC H6 2.460 . 2.952 1.692 1.422 1.987 . 0 0 "[ . 1 . 2 ]" 1
11 1 1 DC H2' 1 2 DG H4' 5.116 . 6.139 5.046 4.615 5.593 . 0 0 "[ . 1 . 2 ]" 1
12 1 1 DC H2' 1 2 DG H8 3.102 . 3.722 2.612 2.265 3.230 . 0 0 "[ . 1 . 2 ]" 1
13 1 1 DC H2'' 1 1 DC H3' 2.778 2.500 3.056 2.743 2.653 3.035 . 0 0 "[ . 1 . 2 ]" 1
14 1 1 DC H2'' 1 1 DC H5 4.450 . 5.340 5.125 4.427 5.431 0.091 20 0 "[ . 1 . 2 ]" 1
15 1 1 DC H2'' 1 1 DC H6 2.953 . 3.544 3.073 2.279 3.560 0.016 2 0 "[ . 1 . 2 ]" 1
16 1 1 DC H2'' 1 2 DG H4' 4.242 . 5.090 3.889 3.504 4.700 . 0 0 "[ . 1 . 2 ]" 1
17 1 1 DC H2'' 1 2 DG H8 2.993 . 3.592 3.592 3.189 3.734 0.142 8 0 "[ . 1 . 2 ]" 1
18 1 1 DC H2'' 4 1 PPZ H13 4.994 . 5.000 4.091 3.263 5.007 0.007 9 0 "[ . 1 . 2 ]" 1
19 1 1 DC H3' 1 1 DC H6 3.417 . 4.100 3.658 2.047 4.138 0.038 10 0 "[ . 1 . 2 ]" 1
20 1 1 DC H3' 1 2 DG H8 3.760 . 4.512 3.565 2.168 4.541 0.029 8 0 "[ . 1 . 2 ]" 1
21 1 1 DC H4' 1 1 DC H6 4.241 . 5.089 4.619 4.044 5.008 . 0 0 "[ . 1 . 2 ]" 1
22 1 1 DC H41 1 1 DC H42 2.028 . 2.636 1.760 1.755 1.768 . 0 0 "[ . 1 . 2 ]" 1
23 1 1 DC H41 1 1 DC H5 3.039 . 3.951 3.704 3.684 3.759 . 0 0 "[ . 1 . 2 ]" 1
24 1 1 DC H41 1 2 DG H1 3.774 . 4.906 4.957 4.859 5.047 0.141 18 0 "[ . 1 . 2 ]" 1
25 1 1 DC H41 2 5 DC H41 3.136 . 4.077 3.880 3.411 4.123 0.046 19 0 "[ . 1 . 2 ]" 1
26 1 1 DC H41 2 6 DG H1 3.521 . 4.577 2.655 2.564 2.781 . 0 0 "[ . 1 . 2 ]" 1
27 1 1 DC H41 2 6 DG O6 1.570 . 1.770 1.820 1.814 1.824 0.054 6 0 "[ . 1 . 2 ]" 1
28 1 1 DC H42 1 1 DC H5 2.614 . 3.398 2.433 2.396 2.488 . 0 0 "[ . 1 . 2 ]" 1
29 1 1 DC H42 2 6 DG H1 3.830 . 4.979 4.109 3.986 4.241 . 0 0 "[ . 1 . 2 ]" 1
30 1 1 DC H5 1 1 DC H6 2.409 . 2.891 2.395 2.317 2.434 . 0 0 "[ . 1 . 2 ]" 1
31 1 1 DC H5 2 5 DC H41 5.631 . 7.320 3.514 2.782 4.232 . 0 0 "[ . 1 . 2 ]" 1
32 1 1 DC H6 1 2 DG H8 4.079 . 4.895 2.974 2.586 3.418 . 0 0 "[ . 1 . 2 ]" 1
33 1 1 DC N3 2 6 DG H1 1.790 . 1.990 1.880 1.860 1.893 . 0 0 "[ . 1 . 2 ]" 1
34 1 1 DC N3 2 6 DG N1 2.710 . 3.110 2.757 2.736 2.776 . 0 0 "[ . 1 . 2 ]" 1
35 1 1 DC N4 2 6 DG O6 2.500 . 2.900 2.807 2.790 2.831 . 0 0 "[ . 1 . 2 ]" 1
36 1 1 DC O2 2 6 DG H21 1.880 . 2.080 1.895 1.881 1.916 . 0 0 "[ . 1 . 2 ]" 1
37 1 1 DC O2 2 6 DG N2 2.810 . 3.210 2.790 2.758 2.845 . 0 0 "[ . 1 . 2 ]" 1
38 1 2 DG H1 1 3 DA H2 3.536 . 4.597 3.385 3.150 3.621 . 0 0 "[ . 1 . 2 ]" 1
39 1 2 DG H1 2 4 DT H3 3.880 . 5.044 3.392 3.020 3.637 . 0 0 "[ . 1 . 2 ]" 1
40 1 2 DG H1 2 5 DC H41 3.007 . 3.909 2.705 2.551 2.887 . 0 0 "[ . 1 . 2 ]" 1
41 1 2 DG H1 2 5 DC H42 3.483 . 4.528 4.168 4.035 4.335 . 0 0 "[ . 1 . 2 ]" 1
42 1 2 DG H1 2 5 DC H5 4.074 . 5.296 5.030 4.941 5.106 . 0 0 "[ . 1 . 2 ]" 1
43 1 2 DG H1 2 5 DC N3 1.790 . 1.990 1.824 1.805 1.837 . 0 0 "[ . 1 . 2 ]" 1
44 1 2 DG H1' 1 2 DG H8 3.811 . 4.573 3.886 3.853 3.914 . 0 0 "[ . 1 . 2 ]" 1
45 1 2 DG H1' 1 3 DA H1' 5.219 . 6.263 5.160 4.682 5.460 . 0 0 "[ . 1 . 2 ]" 1
46 1 2 DG H1' 1 3 DA H4' 4.800 . 5.760 4.648 4.126 4.978 . 0 0 "[ . 1 . 2 ]" 1
47 1 2 DG H1' 1 3 DA H8 3.113 . 3.736 3.569 2.979 3.778 0.043 11 0 "[ . 1 . 2 ]" 1
48 1 2 DG H21 2 5 DC O2 1.880 . 2.080 1.824 1.808 1.841 . 0 0 "[ . 1 . 2 ]" 1
49 1 2 DG H3' 1 2 DG H4' 2.863 . 3.149 2.877 2.705 2.990 . 0 0 "[ . 1 . 2 ]" 1
50 1 2 DG H3' 1 2 DG H8 5.921 . 7.105 4.223 3.805 4.633 . 0 0 "[ . 1 . 2 ]" 1
51 1 2 DG H4' 1 2 DG H8 5.455 . 6.546 4.942 4.675 5.225 . 0 0 "[ . 1 . 2 ]" 1
52 1 2 DG H4' 1 3 DA H8 5.002 . 6.002 5.820 5.401 6.031 0.028 5 0 "[ . 1 . 2 ]" 1
53 1 2 DG H8 1 3 DA H8 4.067 . 4.880 4.871 4.717 4.917 0.037 21 0 "[ . 1 . 2 ]" 1
54 1 2 DG N1 2 5 DC N3 2.710 . 3.110 2.832 2.812 2.857 . 0 0 "[ . 1 . 2 ]" 1
55 1 2 DG N2 2 5 DC O2 2.810 . 3.210 2.814 2.792 2.837 . 0 0 "[ . 1 . 2 ]" 1
56 1 2 DG O6 2 5 DC H41 1.570 . 1.770 1.805 1.801 1.809 0.039 2 0 "[ . 1 . 2 ]" 1
57 1 2 DG O6 2 5 DC N4 2.500 . 2.900 2.776 2.749 2.796 . 0 0 "[ . 1 . 2 ]" 1
58 1 3 DA H1' 1 3 DA H2 4.511 . 5.413 4.625 4.545 4.773 . 0 0 "[ . 1 . 2 ]" 1
59 1 3 DA H1' 1 3 DA H2' 2.917 2.400 3.209 3.002 2.934 3.042 . 0 0 "[ . 1 . 2 ]" 1
60 1 3 DA H1' 1 3 DA H2'' 2.591 . 2.850 2.369 2.311 2.425 . 0 0 "[ . 1 . 2 ]" 1
61 1 3 DA H1' 1 3 DA H3' 3.680 . 4.048 3.904 3.752 4.035 . 0 0 "[ . 1 . 2 ]" 1
62 1 3 DA H1' 1 3 DA H4' 3.509 . 3.860 3.145 2.765 3.768 . 0 0 "[ . 1 . 2 ]" 1
63 1 3 DA H1' 1 3 DA H8 3.754 . 4.505 3.859 3.736 3.907 . 0 0 "[ . 1 . 2 ]" 1
64 1 3 DA H1' 1 4 DT H1' 4.266 . 5.119 4.093 3.949 4.315 . 0 0 "[ . 1 . 2 ]" 1
65 1 3 DA H1' 1 4 DT H2' 4.580 . 5.496 4.281 4.081 4.441 . 0 0 "[ . 1 . 2 ]" 1
66 1 3 DA H1' 1 4 DT H2'' 4.421 . 5.305 5.354 5.308 5.521 0.216 3 0 "[ . 1 . 2 ]" 1
67 1 3 DA H1' 1 4 DT H3' 5.429 . 6.515 5.022 4.641 5.296 . 0 0 "[ . 1 . 2 ]" 1
68 1 3 DA H1' 1 4 DT H4' 3.513 . 4.216 3.763 3.437 4.152 . 0 0 "[ . 1 . 2 ]" 1
69 1 3 DA H1' 1 4 DT H6 3.324 . 3.989 3.112 2.800 3.611 . 0 0 "[ . 1 . 2 ]" 1
70 1 3 DA H2 1 4 DT H1' 3.910 . 4.692 3.944 3.755 4.102 . 0 0 "[ . 1 . 2 ]" 1
71 1 3 DA H2 1 4 DT H2' 6.000 . 7.200 6.239 6.058 6.424 . 0 0 "[ . 1 . 2 ]" 1
72 1 3 DA H2 1 4 DT H2'' 5.042 . 6.050 6.064 5.983 6.153 0.103 3 0 "[ . 1 . 2 ]" 1
73 1 3 DA H2 1 4 DT H4' 4.721 . 5.665 5.656 5.545 5.688 0.023 22 0 "[ . 1 . 2 ]" 1
74 1 3 DA H2 2 5 DC H1' 4.088 . 4.906 4.924 4.890 4.954 0.049 6 0 "[ . 1 . 2 ]" 1
75 1 3 DA H2' 1 3 DA H2'' 2.287 . 2.516 1.783 1.721 1.809 . 0 0 "[ . 1 . 2 ]" 1
76 1 3 DA H2' 1 3 DA H3' 2.857 . 3.143 2.310 2.212 2.422 . 0 0 "[ . 1 . 2 ]" 1
77 1 3 DA H2' 1 3 DA H4' 3.500 . 3.850 3.808 3.733 3.853 0.003 3 0 "[ . 1 . 2 ]" 1
78 1 3 DA H2' 1 3 DA H8 2.566 . 3.079 2.034 1.597 2.267 . 0 0 "[ . 1 . 2 ]" 1
79 1 3 DA H2' 1 4 DT H6 3.219 . 3.863 3.333 2.987 3.634 . 0 0 "[ . 1 . 2 ]" 1
80 1 3 DA H2' 1 5 DC H42 5.489 . 7.136 6.970 6.703 7.358 0.223 1 0 "[ . 1 . 2 ]" 1
81 1 3 DA H2'' 1 3 DA H4' 3.616 . 3.978 3.867 3.581 4.037 0.060 21 0 "[ . 1 . 2 ]" 1
82 1 3 DA H2'' 1 3 DA H8 3.037 . 3.644 3.586 3.189 3.699 0.054 11 0 "[ . 1 . 2 ]" 1
83 1 3 DA H2'' 1 4 DT H2' 4.071 . 4.885 3.533 3.244 3.782 . 0 0 "[ . 1 . 2 ]" 1
84 1 3 DA H2'' 1 4 DT H3' 4.809 . 5.771 4.674 3.945 5.315 . 0 0 "[ . 1 . 2 ]" 1
85 1 3 DA H2'' 1 4 DT H6 2.928 . 3.514 1.985 1.812 2.237 . 0 0 "[ . 1 . 2 ]" 1
86 1 3 DA H3' 1 3 DA H4' 2.933 . 3.226 2.836 2.665 2.956 . 0 0 "[ . 1 . 2 ]" 1
87 1 3 DA H3' 1 3 DA H8 4.660 . 5.592 3.860 3.424 4.449 . 0 0 "[ . 1 . 2 ]" 1
88 1 3 DA H3' 1 4 DT H6 4.033 . 4.840 4.657 4.367 4.866 0.026 3 0 "[ . 1 . 2 ]" 1
89 1 3 DA H4' 1 3 DA H8 4.864 . 5.837 4.731 4.357 4.983 . 0 0 "[ . 1 . 2 ]" 1
90 1 3 DA H4' 1 4 DT H6 5.309 . 6.371 5.530 5.009 6.054 . 0 0 "[ . 1 . 2 ]" 1
91 1 3 DA H61 1 3 DA H62 2.170 . 2.821 1.754 1.713 1.762 . 0 0 "[ . 1 . 2 ]" 1
92 1 3 DA H61 2 4 DT O4 1.680 . 2.880 1.836 1.808 1.866 . 0 0 "[ . 1 . 2 ]" 1
93 1 3 DA H8 1 4 DT H6 4.150 . 4.980 4.677 3.926 4.994 0.014 9 0 "[ . 1 . 2 ]" 1
94 1 3 DA N1 2 4 DT H3 1.820 . 2.020 1.835 1.805 1.874 . 0 0 "[ . 1 . 2 ]" 1
95 1 3 DA N1 2 4 DT N3 2.750 . 3.150 2.852 2.814 2.889 . 0 0 "[ . 1 . 2 ]" 1
96 1 3 DA N6 2 4 DT O4 2.610 . 3.010 2.826 2.637 2.878 . 0 0 "[ . 1 . 2 ]" 1
97 1 4 DT H1' 1 4 DT H2' 2.807 2.400 3.088 3.020 2.870 3.045 . 0 0 "[ . 1 . 2 ]" 1
98 1 4 DT H1' 1 4 DT H2'' 2.458 . 2.704 2.399 2.346 2.443 . 0 0 "[ . 1 . 2 ]" 1
99 1 4 DT H1' 1 4 DT H3 4.357 . 5.664 4.510 4.451 4.581 . 0 0 "[ . 1 . 2 ]" 1
100 1 4 DT H1' 1 4 DT H3' 3.827 . 4.210 3.763 3.694 3.837 . 0 0 "[ . 1 . 2 ]" 1
101 1 4 DT H1' 1 4 DT H6 3.572 . 4.286 3.680 3.558 3.714 . 0 0 "[ . 1 . 2 ]" 1
102 1 4 DT H1' 1 5 DC H5 3.585 . 4.302 4.257 4.064 4.324 0.022 13 0 "[ . 1 . 2 ]" 1
103 1 4 DT H1' 1 5 DC H6 3.423 . 4.108 3.965 3.349 4.131 0.023 20 0 "[ . 1 . 2 ]" 1
104 1 4 DT H2' 1 4 DT H2'' 2.271 . 2.498 1.790 1.715 1.804 . 0 0 "[ . 1 . 2 ]" 1
105 1 4 DT H2' 1 4 DT H6 2.566 . 3.079 2.062 1.631 2.240 . 0 0 "[ . 1 . 2 ]" 1
106 1 4 DT H2' 1 5 DC H41 6.000 . 7.800 5.473 4.966 6.112 . 0 0 "[ . 1 . 2 ]" 1
107 1 4 DT H2' 1 5 DC H42 4.355 . 5.661 4.223 3.764 4.900 . 0 0 "[ . 1 . 2 ]" 1
108 1 4 DT H2'' 1 4 DT H3' 2.803 2.500 3.083 2.777 2.714 2.853 . 0 0 "[ . 1 . 2 ]" 1
109 1 4 DT H2'' 1 4 DT H6 2.953 . 3.544 3.515 3.173 3.576 0.033 19 0 "[ . 1 . 2 ]" 1
110 1 4 DT H2'' 1 5 DC H42 5.104 . 6.635 4.243 3.853 5.038 . 0 0 "[ . 1 . 2 ]" 1
111 1 4 DT H2'' 1 5 DC H6 2.762 . 3.314 2.380 1.819 2.691 . 0 0 "[ . 1 . 2 ]" 1
112 1 4 DT H3 1 4 DT H6 5.333 . 6.933 4.812 4.797 4.823 . 0 0 "[ . 1 . 2 ]" 1
113 1 4 DT H3 1 5 DC H41 4.179 . 5.433 3.229 3.034 3.541 . 0 0 "[ . 1 . 2 ]" 1
114 1 4 DT H3 1 5 DC H42 4.608 . 5.990 4.176 3.847 4.382 . 0 0 "[ . 1 . 2 ]" 1
115 1 4 DT H3 1 5 DC H5 4.853 . 6.309 5.129 4.582 5.478 . 0 0 "[ . 1 . 2 ]" 1
116 1 4 DT H3 2 2 DG H1 3.880 . 5.044 3.426 3.230 3.690 . 0 0 "[ . 1 . 2 ]" 1
117 1 4 DT H3 2 3 DA N1 1.820 . 2.020 1.827 1.783 1.872 . 0 0 "[ . 1 . 2 ]" 1
118 1 4 DT H3' 1 4 DT H6 3.999 . 4.799 4.013 3.642 4.274 . 0 0 "[ . 1 . 2 ]" 1
119 1 4 DT H3' 1 5 DC H5 4.539 . 5.447 4.559 4.278 5.013 . 0 0 "[ . 1 . 2 ]" 1
120 1 4 DT H4' 1 4 DT H6 4.020 . 4.824 4.552 4.416 4.690 . 0 0 "[ . 1 . 2 ]" 1
121 1 4 DT H6 1 5 DC H5 3.611 . 4.333 4.190 3.408 4.347 0.013 14 0 "[ . 1 . 2 ]" 1
122 1 4 DT N3 2 3 DA N1 2.750 . 3.150 2.844 2.794 2.887 . 0 0 "[ . 1 . 2 ]" 1
123 1 4 DT O4 2 3 DA H61 1.680 . 2.880 1.842 1.814 1.884 . 0 0 "[ . 1 . 2 ]" 1
124 1 4 DT O4 2 3 DA N6 2.610 . 3.010 2.841 2.639 2.886 . 0 0 "[ . 1 . 2 ]" 1
125 1 5 DC H1' 1 5 DC H2' 2.981 2.400 3.279 2.940 2.822 3.004 . 0 0 "[ . 1 . 2 ]" 1
126 1 5 DC H1' 1 5 DC H2'' 2.415 . 2.657 2.298 2.258 2.357 . 0 0 "[ . 1 . 2 ]" 1
127 1 5 DC H1' 1 5 DC H3' 3.867 . 4.254 3.995 3.864 4.130 . 0 0 "[ . 1 . 2 ]" 1
128 1 5 DC H1' 1 5 DC H6 3.419 . 4.103 3.640 3.532 3.715 . 0 0 "[ . 1 . 2 ]" 1
129 1 5 DC H1' 1 6 DG H1' 3.981 . 4.777 4.825 4.794 4.869 0.092 4 0 "[ . 1 . 2 ]" 1
130 1 5 DC H1' 1 6 DG H2' 4.536 . 5.443 5.210 3.886 5.465 0.022 8 0 "[ . 1 . 2 ]" 1
131 1 5 DC H1' 1 6 DG H8 3.677 . 4.412 3.375 2.740 3.862 . 0 0 "[ . 1 . 2 ]" 1
132 1 5 DC H1' 2 3 DA H2 4.088 . 4.906 4.919 4.870 4.937 0.031 12 0 "[ . 1 . 2 ]" 1
133 1 5 DC H1' 3 1 PPZ H12 4.994 . 6.000 5.283 4.425 5.938 . 0 0 "[ . 1 . 2 ]" 1
134 1 5 DC H2' 1 5 DC H3' 2.829 . 3.112 2.347 2.299 2.428 . 0 0 "[ . 1 . 2 ]" 1
135 1 5 DC H2' 1 5 DC H6 2.460 . 2.952 1.696 1.466 1.835 . 0 0 "[ . 1 . 2 ]" 1
136 1 5 DC H2' 1 6 DG H1' 6.000 . 7.200 6.000 5.564 6.587 . 0 0 "[ . 1 . 2 ]" 1
137 1 5 DC H2' 1 6 DG H2' 4.662 . 5.594 5.123 4.029 6.043 0.448 15 0 "[ . 1 . 2 ]" 1
138 1 5 DC H2' 1 6 DG H8 3.226 . 3.871 2.657 2.101 3.357 . 0 0 "[ . 1 . 2 ]" 1
139 1 5 DC H2'' 1 5 DC H6 2.807 . 3.368 3.289 2.966 3.391 0.023 20 0 "[ . 1 . 2 ]" 1
140 1 5 DC H2'' 1 6 DG H8 3.014 . 3.617 1.608 1.246 2.460 . 0 0 "[ . 1 . 2 ]" 1
141 1 5 DC H2'' 3 1 PPZ H10 4.994 . 5.500 3.496 2.989 3.978 . 0 0 "[ . 1 . 2 ]" 1
142 1 5 DC H3' 1 5 DC H6 3.335 . 4.002 3.636 3.037 3.892 . 0 0 "[ . 1 . 2 ]" 1
143 1 5 DC H3' 1 6 DG H8 4.317 . 5.180 3.859 3.371 4.592 . 0 0 "[ . 1 . 2 ]" 1
144 1 5 DC H4' 1 5 DC H6 3.978 . 4.774 4.571 4.222 4.751 . 0 0 "[ . 1 . 2 ]" 1
145 1 5 DC H41 1 5 DC H42 2.127 . 2.765 1.766 1.758 1.776 . 0 0 "[ . 1 . 2 ]" 1
146 1 5 DC H41 1 5 DC H5 3.219 . 4.185 3.728 3.711 3.744 . 0 0 "[ . 1 . 2 ]" 1
147 1 5 DC H41 1 6 DG H1 5.060 . 6.578 6.076 5.464 6.606 0.028 1 0 "[ . 1 . 2 ]" 1
148 1 5 DC H41 2 1 DC H41 3.136 . 4.077 3.802 3.426 4.108 0.032 1 0 "[ . 1 . 2 ]" 1
149 1 5 DC H41 2 1 DC H5 5.631 . 7.320 3.640 2.858 4.533 . 0 0 "[ . 1 . 2 ]" 1
150 1 5 DC H41 2 2 DG H1 3.007 . 3.909 2.692 2.532 2.876 . 0 0 "[ . 1 . 2 ]" 1
151 1 5 DC H41 2 2 DG O6 1.570 . 1.770 1.805 1.796 1.810 0.040 4 0 "[ . 1 . 2 ]" 1
152 1 5 DC H42 1 5 DC H5 2.681 . 3.485 2.503 2.483 2.522 . 0 0 "[ . 1 . 2 ]" 1
153 1 5 DC H42 1 5 DC H6 3.873 . 5.035 4.683 4.646 4.708 . 0 0 "[ . 1 . 2 ]" 1
154 1 5 DC H42 2 2 DG H1 3.483 . 4.528 4.159 4.027 4.321 . 0 0 "[ . 1 . 2 ]" 1
155 1 5 DC H5 1 5 DC H6 2.497 . 2.996 2.430 2.403 2.444 . 0 0 "[ . 1 . 2 ]" 1
156 1 5 DC H5 2 2 DG H1 4.074 . 5.296 5.038 4.965 5.117 . 0 0 "[ . 1 . 2 ]" 1
157 1 5 DC H5 3 1 PPZ H10 4.994 . 6.000 6.328 5.770 6.889 0.889 11 5 "[- . * 1+ * * 2 ]" 1
158 1 5 DC H6 1 6 DG H8 3.997 . 4.796 3.894 3.048 4.601 . 0 0 "[ . 1 . 2 ]" 1
159 1 5 DC H6 3 1 PPZ H10 4.994 . 6.000 5.268 4.685 5.859 . 0 0 "[ . 1 . 2 ]" 1
160 1 5 DC N3 2 2 DG H1 1.790 . 1.990 1.825 1.806 1.842 . 0 0 "[ . 1 . 2 ]" 1
161 1 5 DC N3 2 2 DG N1 2.710 . 3.110 2.834 2.812 2.856 . 0 0 "[ . 1 . 2 ]" 1
162 1 5 DC N4 2 2 DG O6 2.500 . 2.900 2.776 2.746 2.794 . 0 0 "[ . 1 . 2 ]" 1
163 1 5 DC O2 2 2 DG H21 1.880 . 2.080 1.825 1.808 1.843 . 0 0 "[ . 1 . 2 ]" 1
164 1 5 DC O2 2 2 DG N2 2.810 . 3.210 2.816 2.784 2.837 . 0 0 "[ . 1 . 2 ]" 1
165 1 6 DG H1 2 1 DC H41 3.521 . 4.577 2.632 2.417 2.784 . 0 0 "[ . 1 . 2 ]" 1
166 1 6 DG H1 2 1 DC H42 3.830 . 4.979 4.086 3.899 4.233 . 0 0 "[ . 1 . 2 ]" 1
167 1 6 DG H1 2 1 DC N3 1.790 . 1.990 1.880 1.857 1.897 . 0 0 "[ . 1 . 2 ]" 1
168 1 6 DG H1' 1 6 DG H2' 2.711 2.400 2.982 2.985 2.820 3.019 0.037 4 0 "[ . 1 . 2 ]" 1
169 1 6 DG H1' 1 6 DG H2'' 2.357 . 2.593 2.427 2.407 2.459 . 0 0 "[ . 1 . 2 ]" 1
170 1 6 DG H1' 1 6 DG H3' 3.602 . 3.962 3.767 3.527 3.896 . 0 0 "[ . 1 . 2 ]" 1
171 1 6 DG H1' 1 6 DG H4' 3.184 . 3.502 2.852 2.381 3.373 . 0 0 "[ . 1 . 2 ]" 1
172 1 6 DG H1' 1 6 DG H8 3.622 . 4.346 3.750 3.700 3.791 . 0 0 "[ . 1 . 2 ]" 1
173 1 6 DG H1' 3 1 PPZ H12 4.994 . 6.000 5.635 5.310 6.074 0.074 19 0 "[ . 1 . 2 ]" 1
174 1 6 DG H2' 1 6 DG H2'' 2.045 . 2.250 1.798 1.766 1.810 . 0 0 "[ . 1 . 2 ]" 1
175 1 6 DG H2' 1 6 DG H3' 2.490 . 2.739 2.322 2.257 2.486 . 0 0 "[ . 1 . 2 ]" 1
176 1 6 DG H2' 1 6 DG H8 2.484 . 2.981 2.663 1.824 2.983 0.003 6 0 "[ . 1 . 2 ]" 1
177 1 6 DG H2' 3 1 PPZ H10 4.994 . 5.000 4.592 4.019 4.815 . 0 0 "[ . 1 . 2 ]" 1
178 1 6 DG H2' 3 1 PPZ H2 4.994 . 6.000 5.859 5.631 6.007 0.007 9 0 "[ . 1 . 2 ]" 1
179 1 6 DG H2'' 1 6 DG H3' 2.687 2.500 2.956 2.787 2.715 2.895 . 0 0 "[ . 1 . 2 ]" 1
180 1 6 DG H21 2 1 DC O2 1.880 . 2.080 1.895 1.880 1.912 . 0 0 "[ . 1 . 2 ]" 1
181 1 6 DG H3' 1 6 DG H4' 2.525 . 2.777 2.820 2.751 2.875 0.098 4 0 "[ . 1 . 2 ]" 1
182 1 6 DG H3' 1 6 DG H8 3.536 . 4.243 4.289 4.263 4.311 0.068 3 0 "[ . 1 . 2 ]" 1
183 1 6 DG H8 3 1 PPZ H12 4.994 . 6.000 5.555 5.238 6.005 0.005 19 0 "[ . 1 . 2 ]" 1
184 1 6 DG N1 2 1 DC N3 2.710 . 3.110 2.756 2.742 2.774 . 0 0 "[ . 1 . 2 ]" 1
185 1 6 DG N2 2 1 DC O2 2.810 . 3.210 2.781 2.731 2.828 . 0 0 "[ . 1 . 2 ]" 1
186 1 6 DG O6 2 1 DC H41 1.570 . 1.770 1.819 1.815 1.826 0.056 1 0 "[ . 1 . 2 ]" 1
187 1 6 DG O6 2 1 DC N4 2.500 . 2.900 2.803 2.777 2.821 . 0 0 "[ . 1 . 2 ]" 1
188 2 1 DC H1' 2 1 DC H2' 2.965 2.400 3.261 2.979 2.707 3.050 . 0 0 "[ . 1 . 2 ]" 1
189 2 1 DC H1' 2 1 DC H2'' 2.415 . 2.657 2.414 2.289 2.510 . 0 0 "[ . 1 . 2 ]" 1
190 2 1 DC H1' 2 1 DC H3' 3.868 . 4.255 3.839 3.684 3.986 . 0 0 "[ . 1 . 2 ]" 1
191 2 1 DC H1' 2 1 DC H6 3.111 . 3.733 3.556 3.341 3.728 . 0 0 "[ . 1 . 2 ]" 1
192 2 1 DC H1' 3 1 PPZ H6 4.994 . 7.000 6.492 5.730 7.573 0.573 12 1 "[ . 1 + . 2 ]" 1
193 2 1 DC H2' 2 1 DC H2'' 2.132 . 2.345 1.781 1.756 1.795 . 0 0 "[ . 1 . 2 ]" 1
194 2 1 DC H2' 2 1 DC H3' 2.473 . 2.720 2.389 2.304 2.480 . 0 0 "[ . 1 . 2 ]" 1
195 2 1 DC H2' 2 1 DC H4' 3.549 . 3.904 3.728 3.588 3.944 0.040 14 0 "[ . 1 . 2 ]" 1
196 2 1 DC H2' 2 1 DC H5 3.607 . 4.328 3.956 3.642 4.176 . 0 0 "[ . 1 . 2 ]" 1
197 2 1 DC H2' 2 1 DC H6 2.460 . 2.952 1.675 1.477 2.009 . 0 0 "[ . 1 . 2 ]" 1
198 2 1 DC H2' 2 2 DG H4' 5.116 . 6.139 4.955 4.328 5.290 . 0 0 "[ . 1 . 2 ]" 1
199 2 1 DC H2' 2 2 DG H8 3.102 . 3.722 2.721 2.120 3.380 . 0 0 "[ . 1 . 2 ]" 1
200 2 1 DC H2'' 2 1 DC H3' 2.778 2.500 3.056 2.732 2.662 3.028 . 0 0 "[ . 1 . 2 ]" 1
201 2 1 DC H2'' 2 1 DC H5 4.450 . 5.340 5.009 4.396 5.419 0.079 14 0 "[ . 1 . 2 ]" 1
202 2 1 DC H2'' 2 1 DC H6 2.953 . 3.544 2.956 2.318 3.449 . 0 0 "[ . 1 . 2 ]" 1
203 2 1 DC H2'' 2 2 DG H4' 4.242 . 5.090 3.767 3.425 4.428 . 0 0 "[ . 1 . 2 ]" 1
204 2 1 DC H2'' 2 2 DG H8 2.993 . 3.592 3.625 3.521 3.754 0.162 6 0 "[ . 1 . 2 ]" 1
205 2 1 DC H2'' 3 1 PPZ H13 4.994 . 5.000 4.002 2.724 5.001 0.001 9 0 "[ . 1 . 2 ]" 1
206 2 1 DC H3' 2 1 DC H6 3.417 . 4.100 3.754 1.952 4.116 0.016 13 0 "[ . 1 . 2 ]" 1
207 2 1 DC H3' 2 2 DG H8 3.760 . 4.512 3.820 2.777 4.535 0.023 19 0 "[ . 1 . 2 ]" 1
208 2 1 DC H4' 2 1 DC H6 4.241 . 5.089 4.752 4.374 5.093 0.004 19 0 "[ . 1 . 2 ]" 1
209 2 1 DC H41 2 1 DC H42 2.028 . 2.636 1.760 1.752 1.767 . 0 0 "[ . 1 . 2 ]" 1
210 2 1 DC H41 2 1 DC H5 3.039 . 3.951 3.702 3.675 3.740 . 0 0 "[ . 1 . 2 ]" 1
211 2 1 DC H41 2 2 DG H1 3.774 . 4.906 4.926 4.617 5.004 0.098 20 0 "[ . 1 . 2 ]" 1
212 2 1 DC H42 2 1 DC H5 2.614 . 3.398 2.425 2.377 2.476 . 0 0 "[ . 1 . 2 ]" 1
213 2 1 DC H5 2 1 DC H6 2.409 . 2.891 2.388 2.324 2.427 . 0 0 "[ . 1 . 2 ]" 1
214 2 1 DC H6 2 2 DG H8 4.079 . 4.895 2.918 2.535 3.337 . 0 0 "[ . 1 . 2 ]" 1
215 2 2 DG H1 2 3 DA H2 3.536 . 4.597 3.439 3.203 3.798 . 0 0 "[ . 1 . 2 ]" 1
216 2 2 DG H1' 2 2 DG H8 3.811 . 4.573 3.876 3.830 3.908 . 0 0 "[ . 1 . 2 ]" 1
217 2 2 DG H1' 2 3 DA H1' 5.219 . 6.263 5.381 5.025 5.833 . 0 0 "[ . 1 . 2 ]" 1
218 2 2 DG H1' 2 3 DA H4' 4.800 . 5.760 4.833 4.276 5.408 . 0 0 "[ . 1 . 2 ]" 1
219 2 2 DG H1' 2 3 DA H8 3.113 . 3.736 3.611 3.009 3.773 0.038 19 0 "[ . 1 . 2 ]" 1
220 2 2 DG H3' 2 2 DG H4' 2.863 . 3.149 2.904 2.702 3.025 . 0 0 "[ . 1 . 2 ]" 1
221 2 2 DG H3' 2 2 DG H8 5.921 . 7.105 4.295 3.904 4.613 . 0 0 "[ . 1 . 2 ]" 1
222 2 2 DG H4' 2 2 DG H8 5.455 . 6.546 4.891 4.621 5.183 . 0 0 "[ . 1 . 2 ]" 1
223 2 2 DG H4' 2 3 DA H8 5.002 . 6.002 5.736 5.142 6.027 0.024 3 0 "[ . 1 . 2 ]" 1
224 2 2 DG H8 2 3 DA H8 4.067 . 4.880 4.891 4.797 4.913 0.033 22 0 "[ . 1 . 2 ]" 1
225 2 3 DA H1' 2 3 DA H2 4.511 . 5.413 4.598 4.500 4.674 . 0 0 "[ . 1 . 2 ]" 1
226 2 3 DA H1' 2 3 DA H2' 2.917 2.400 3.209 3.012 2.953 3.040 . 0 0 "[ . 1 . 2 ]" 1
227 2 3 DA H1' 2 3 DA H2'' 2.591 . 2.850 2.371 2.305 2.405 . 0 0 "[ . 1 . 2 ]" 1
228 2 3 DA H1' 2 3 DA H3' 3.680 . 4.048 3.887 3.766 4.051 0.003 22 0 "[ . 1 . 2 ]" 1
229 2 3 DA H1' 2 3 DA H4' 3.509 . 3.860 3.147 2.918 3.749 . 0 0 "[ . 1 . 2 ]" 1
230 2 3 DA H1' 2 3 DA H8 3.754 . 4.505 3.880 3.753 3.907 . 0 0 "[ . 1 . 2 ]" 1
231 2 3 DA H1' 2 4 DT H1' 4.266 . 5.119 4.084 3.788 4.442 . 0 0 "[ . 1 . 2 ]" 1
232 2 3 DA H1' 2 4 DT H2' 4.580 . 5.496 4.275 4.140 4.372 . 0 0 "[ . 1 . 2 ]" 1
233 2 3 DA H1' 2 4 DT H2'' 4.421 . 5.305 5.345 5.227 5.533 0.228 1 0 "[ . 1 . 2 ]" 1
234 2 3 DA H1' 2 4 DT H3' 5.429 . 6.515 5.037 4.770 5.265 . 0 0 "[ . 1 . 2 ]" 1
235 2 3 DA H1' 2 4 DT H4' 3.513 . 4.216 3.820 3.492 4.178 . 0 0 "[ . 1 . 2 ]" 1
236 2 3 DA H1' 2 4 DT H6 3.324 . 3.989 3.068 2.717 3.469 . 0 0 "[ . 1 . 2 ]" 1
237 2 3 DA H2 2 4 DT H1' 3.910 . 4.692 3.975 3.764 4.241 . 0 0 "[ . 1 . 2 ]" 1
238 2 3 DA H2 2 4 DT H2' 6.000 . 7.200 6.242 6.016 6.402 . 0 0 "[ . 1 . 2 ]" 1
239 2 3 DA H2 2 4 DT H2'' 5.042 . 6.050 6.065 5.973 6.272 0.222 1 0 "[ . 1 . 2 ]" 1
240 2 3 DA H2 2 4 DT H4' 4.721 . 5.665 5.675 5.638 5.696 0.031 1 0 "[ . 1 . 2 ]" 1
241 2 3 DA H2' 2 3 DA H2'' 2.287 . 2.516 1.788 1.735 1.805 . 0 0 "[ . 1 . 2 ]" 1
242 2 3 DA H2' 2 3 DA H3' 2.857 . 3.143 2.315 2.216 2.412 . 0 0 "[ . 1 . 2 ]" 1
243 2 3 DA H2' 2 3 DA H4' 3.500 . 3.850 3.815 3.738 3.853 0.003 16 0 "[ . 1 . 2 ]" 1
244 2 3 DA H2' 2 3 DA H8 2.566 . 3.079 2.099 1.752 2.241 . 0 0 "[ . 1 . 2 ]" 1
245 2 3 DA H2' 2 4 DT H6 3.219 . 3.863 3.395 3.128 3.704 . 0 0 "[ . 1 . 2 ]" 1
246 2 3 DA H2' 2 5 DC H42 5.489 . 7.136 6.990 6.561 7.177 0.041 19 0 "[ . 1 . 2 ]" 1
247 2 3 DA H2'' 2 3 DA H4' 3.616 . 3.978 3.891 3.702 4.018 0.040 22 0 "[ . 1 . 2 ]" 1
248 2 3 DA H2'' 2 3 DA H8 3.037 . 3.644 3.637 3.196 3.705 0.060 1 0 "[ . 1 . 2 ]" 1
249 2 3 DA H2'' 2 4 DT H2' 4.071 . 4.885 3.565 3.250 3.826 . 0 0 "[ . 1 . 2 ]" 1
250 2 3 DA H2'' 2 4 DT H3' 4.809 . 5.771 4.723 4.018 5.263 . 0 0 "[ . 1 . 2 ]" 1
251 2 3 DA H2'' 2 4 DT H6 2.928 . 3.514 1.983 1.729 2.198 . 0 0 "[ . 1 . 2 ]" 1
252 2 3 DA H3' 2 3 DA H4' 2.933 . 3.226 2.832 2.697 2.928 . 0 0 "[ . 1 . 2 ]" 1
253 2 3 DA H3' 2 3 DA H8 4.660 . 5.592 3.955 3.606 4.415 . 0 0 "[ . 1 . 2 ]" 1
254 2 3 DA H3' 2 4 DT H6 4.033 . 4.840 4.656 4.288 4.891 0.052 1 0 "[ . 1 . 2 ]" 1
255 2 3 DA H4' 2 3 DA H8 4.864 . 5.837 4.771 4.352 4.937 . 0 0 "[ . 1 . 2 ]" 1
256 2 3 DA H4' 2 4 DT H6 5.309 . 6.371 5.514 5.175 6.021 . 0 0 "[ . 1 . 2 ]" 1
257 2 3 DA H61 2 3 DA H62 2.170 . 2.821 1.757 1.714 1.762 . 0 0 "[ . 1 . 2 ]" 1
258 2 3 DA H8 2 4 DT H6 4.150 . 4.980 4.774 4.063 4.986 0.006 18 0 "[ . 1 . 2 ]" 1
259 2 4 DT H1' 2 4 DT H2' 2.807 2.400 3.088 3.028 2.871 3.049 . 0 0 "[ . 1 . 2 ]" 1
260 2 4 DT H1' 2 4 DT H2'' 2.458 . 2.704 2.400 2.349 2.446 . 0 0 "[ . 1 . 2 ]" 1
261 2 4 DT H1' 2 4 DT H3 4.357 . 5.664 4.503 4.439 4.536 . 0 0 "[ . 1 . 2 ]" 1
262 2 4 DT H1' 2 4 DT H3' 3.827 . 4.210 3.759 3.698 3.848 . 0 0 "[ . 1 . 2 ]" 1
263 2 4 DT H1' 2 4 DT H6 3.572 . 4.286 3.685 3.593 3.714 . 0 0 "[ . 1 . 2 ]" 1
264 2 4 DT H1' 2 5 DC H5 3.585 . 4.302 4.262 4.112 4.317 0.015 19 0 "[ . 1 . 2 ]" 1
265 2 4 DT H1' 2 5 DC H6 3.423 . 4.108 4.040 3.611 4.133 0.025 2 0 "[ . 1 . 2 ]" 1
266 2 4 DT H2' 2 4 DT H2'' 2.271 . 2.498 1.792 1.711 1.813 . 0 0 "[ . 1 . 2 ]" 1
267 2 4 DT H2' 2 4 DT H6 2.566 . 3.079 2.086 1.627 2.235 . 0 0 "[ . 1 . 2 ]" 1
268 2 4 DT H2' 2 5 DC H41 6.000 . 7.800 5.353 4.807 6.027 . 0 0 "[ . 1 . 2 ]" 1
269 2 4 DT H2' 2 5 DC H42 4.355 . 5.661 4.103 3.631 4.663 . 0 0 "[ . 1 . 2 ]" 1
270 2 4 DT H2'' 2 4 DT H3' 2.803 2.500 3.083 2.783 2.718 2.877 . 0 0 "[ . 1 . 2 ]" 1
271 2 4 DT H2'' 2 4 DT H6 2.953 . 3.544 3.528 3.191 3.582 0.038 5 0 "[ . 1 . 2 ]" 1
272 2 4 DT H2'' 2 5 DC H42 5.104 . 6.635 4.111 3.668 4.783 . 0 0 "[ . 1 . 2 ]" 1
273 2 4 DT H2'' 2 5 DC H6 2.762 . 3.314 2.444 1.866 2.689 . 0 0 "[ . 1 . 2 ]" 1
274 2 4 DT H3 2 4 DT H6 5.333 . 6.933 4.815 4.805 4.824 . 0 0 "[ . 1 . 2 ]" 1
275 2 4 DT H3 2 5 DC H41 4.179 . 5.433 3.188 3.045 3.430 . 0 0 "[ . 1 . 2 ]" 1
276 2 4 DT H3 2 5 DC H42 4.608 . 5.990 4.186 3.835 4.559 . 0 0 "[ . 1 . 2 ]" 1
277 2 4 DT H3 2 5 DC H5 4.853 . 6.309 5.241 4.698 5.686 . 0 0 "[ . 1 . 2 ]" 1
278 2 4 DT H3' 2 4 DT H6 3.999 . 4.799 4.029 3.653 4.241 . 0 0 "[ . 1 . 2 ]" 1
279 2 4 DT H3' 2 5 DC H5 4.539 . 5.447 4.499 4.138 4.949 . 0 0 "[ . 1 . 2 ]" 1
280 2 4 DT H4' 2 4 DT H6 4.020 . 4.824 4.563 4.473 4.659 . 0 0 "[ . 1 . 2 ]" 1
281 2 4 DT H6 2 5 DC H5 3.611 . 4.333 4.258 3.411 4.351 0.018 15 0 "[ . 1 . 2 ]" 1
282 2 5 DC H1' 2 5 DC H2' 2.981 2.400 3.279 2.919 2.822 2.998 . 0 0 "[ . 1 . 2 ]" 1
283 2 5 DC H1' 2 5 DC H2'' 2.415 . 2.657 2.315 2.243 2.361 . 0 0 "[ . 1 . 2 ]" 1
284 2 5 DC H1' 2 5 DC H3' 3.867 . 4.254 3.977 3.818 4.098 . 0 0 "[ . 1 . 2 ]" 1
285 2 5 DC H1' 2 5 DC H6 3.419 . 4.103 3.628 3.523 3.725 . 0 0 "[ . 1 . 2 ]" 1
286 2 5 DC H1' 2 6 DG H1' 3.981 . 4.777 4.831 4.803 4.861 0.084 7 0 "[ . 1 . 2 ]" 1
287 2 5 DC H1' 2 6 DG H2' 4.536 . 5.443 5.438 5.305 5.471 0.027 18 0 "[ . 1 . 2 ]" 1
288 2 5 DC H1' 2 6 DG H8 3.677 . 4.412 3.465 3.022 3.984 . 0 0 "[ . 1 . 2 ]" 1
289 2 5 DC H1' 4 1 PPZ H12 4.994 . 6.000 5.290 4.286 5.906 . 0 0 "[ . 1 . 2 ]" 1
290 2 5 DC H2' 2 5 DC H3' 2.829 . 3.112 2.358 2.303 2.429 . 0 0 "[ . 1 . 2 ]" 1
291 2 5 DC H2' 2 5 DC H6 2.460 . 2.952 1.661 1.444 1.832 . 0 0 "[ . 1 . 2 ]" 1
292 2 5 DC H2' 2 6 DG H1' 6.000 . 7.200 6.088 5.528 6.746 . 0 0 "[ . 1 . 2 ]" 1
293 2 5 DC H2' 2 6 DG H2' 4.662 . 5.594 5.459 4.735 6.317 0.723 11 4 "[ *- 1+ * . 2 ]" 1
294 2 5 DC H2' 2 6 DG H8 3.226 . 3.871 2.859 2.010 3.557 . 0 0 "[ . 1 . 2 ]" 1
295 2 5 DC H2'' 2 5 DC H6 2.807 . 3.368 3.231 2.963 3.404 0.035 1 0 "[ . 1 . 2 ]" 1
296 2 5 DC H2'' 2 6 DG H8 3.014 . 3.617 1.751 1.316 2.434 . 0 0 "[ . 1 . 2 ]" 1
297 2 5 DC H2'' 4 1 PPZ H10 4.994 . 5.500 3.496 2.991 3.969 . 0 0 "[ . 1 . 2 ]" 1
298 2 5 DC H3' 2 5 DC H6 3.335 . 4.002 3.670 3.249 3.885 . 0 0 "[ . 1 . 2 ]" 1
299 2 5 DC H3' 2 6 DG H8 4.317 . 5.180 3.939 3.399 4.828 . 0 0 "[ . 1 . 2 ]" 1
300 2 5 DC H4' 2 5 DC H6 3.978 . 4.774 4.595 4.366 4.773 . 0 0 "[ . 1 . 2 ]" 1
301 2 5 DC H41 2 5 DC H42 2.127 . 2.765 1.767 1.760 1.773 . 0 0 "[ . 1 . 2 ]" 1
302 2 5 DC H41 2 5 DC H5 3.219 . 4.185 3.729 3.718 3.742 . 0 0 "[ . 1 . 2 ]" 1
303 2 5 DC H41 2 6 DG H1 5.060 . 6.578 6.149 5.657 6.535 . 0 0 "[ . 1 . 2 ]" 1
304 2 5 DC H42 2 5 DC H5 2.681 . 3.485 2.507 2.482 2.532 . 0 0 "[ . 1 . 2 ]" 1
305 2 5 DC H42 2 5 DC H6 3.873 . 5.035 4.693 4.669 4.716 . 0 0 "[ . 1 . 2 ]" 1
306 2 5 DC H5 2 5 DC H6 2.497 . 2.996 2.436 2.422 2.461 . 0 0 "[ . 1 . 2 ]" 1
307 2 5 DC H5 4 1 PPZ H10 4.994 . 6.000 6.284 5.638 7.015 1.015 5 7 "[*- +** 1* * . 2 ]" 1
308 2 5 DC H6 2 6 DG H8 3.997 . 4.796 4.030 3.264 4.730 . 0 0 "[ . 1 . 2 ]" 1
309 2 5 DC H6 4 1 PPZ H10 4.994 . 6.000 5.226 4.557 5.744 . 0 0 "[ . 1 . 2 ]" 1
310 2 6 DG H1' 2 6 DG H2' 2.711 2.400 2.982 3.012 3.003 3.016 0.034 10 0 "[ . 1 . 2 ]" 1
311 2 6 DG H1' 2 6 DG H2'' 2.357 . 2.593 2.431 2.403 2.469 . 0 0 "[ . 1 . 2 ]" 1
312 2 6 DG H1' 2 6 DG H3' 3.602 . 3.962 3.808 3.743 3.910 . 0 0 "[ . 1 . 2 ]" 1
313 2 6 DG H1' 2 6 DG H4' 3.184 . 3.502 2.893 2.490 3.393 . 0 0 "[ . 1 . 2 ]" 1
314 2 6 DG H1' 2 6 DG H8 3.622 . 4.346 3.752 3.716 3.790 . 0 0 "[ . 1 . 2 ]" 1
315 2 6 DG H1' 4 1 PPZ H12 4.994 . 6.000 5.557 5.301 5.786 . 0 0 "[ . 1 . 2 ]" 1
316 2 6 DG H2' 2 6 DG H2'' 2.045 . 2.250 1.803 1.799 1.812 . 0 0 "[ . 1 . 2 ]" 1
317 2 6 DG H2' 2 6 DG H3' 2.490 . 2.739 2.300 2.264 2.351 . 0 0 "[ . 1 . 2 ]" 1
318 2 6 DG H2' 2 6 DG H8 2.484 . 2.981 2.781 2.574 2.936 . 0 0 "[ . 1 . 2 ]" 1
319 2 6 DG H2' 4 1 PPZ H10 4.994 . 5.000 4.647 4.479 4.753 . 0 0 "[ . 1 . 2 ]" 1
320 2 6 DG H2' 4 1 PPZ H2 4.994 . 6.000 5.857 5.442 6.003 0.003 6 0 "[ . 1 . 2 ]" 1
321 2 6 DG H2'' 2 6 DG H3' 2.687 2.500 2.956 2.784 2.706 2.853 . 0 0 "[ . 1 . 2 ]" 1
322 2 6 DG H3' 2 6 DG H4' 2.525 . 2.777 2.817 2.747 2.864 0.087 8 0 "[ . 1 . 2 ]" 1
323 2 6 DG H3' 2 6 DG H8 3.536 . 4.243 4.293 4.277 4.309 0.065 3 0 "[ . 1 . 2 ]" 1
324 2 6 DG H8 4 1 PPZ H12 4.994 . 6.000 5.523 5.312 5.703 . 0 0 "[ . 1 . 2 ]" 1
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