NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
617643 |
5j4p   |
30055 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5j4p
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 609
_Distance_constraint_stats_list.Viol_count 931
_Distance_constraint_stats_list.Viol_total 753.341
_Distance_constraint_stats_list.Viol_max 0.990
_Distance_constraint_stats_list.Viol_rms 0.0531
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0124
_Distance_constraint_stats_list.Viol_average_violations_only 0.0809
_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 4.052 0.118 4 0 "[ . 1]"
1 2 DG 3.204 0.111 2 0 "[ . 1]"
1 3 DT 9.850 0.650 8 6 "[* * .**+ -]"
1 4 DT 13.157 0.650 8 6 "[* * .**+ -]"
1 5 DT 7.147 0.477 2 0 "[ . 1]"
1 6 DG 2.659 0.157 10 0 "[ . 1]"
1 7 DG 5.715 0.135 1 0 "[ . 1]"
1 8 DT 3.859 0.135 1 0 "[ . 1]"
1 9 DT 11.934 0.990 3 10 [**+-******]
1 10 DT 5.248 0.110 10 0 "[ . 1]"
1 11 DT 14.679 0.990 3 10 [**+-******]
1 12 DG 4.314 0.153 4 0 "[ . 1]"
1 13 DG 3.265 0.145 3 0 "[ . 1]"
1 14 DT 8.356 0.163 4 0 "[ . 1]"
1 15 DT 3.701 0.133 3 0 "[ . 1]"
1 16 DT 9.077 0.135 2 0 "[ . 1]"
1 17 DG 10.092 0.163 4 0 "[ . 1]"
1 18 DG 5.019 0.136 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 DG H1 1 1 DG H2' 5.000 3.200 6.800 5.309 5.240 5.410 . 0 0 "[ . 1]" 1
2 1 1 DG H1 1 1 DG H2'' 5.000 3.200 6.800 6.770 6.731 6.793 . 0 0 "[ . 1]" 1
3 1 1 DG H1 1 1 DG H21 3.000 . 4.000 2.228 2.220 2.241 . 0 0 "[ . 1]" 1
4 1 1 DG H1 1 1 DG H22 3.000 2.200 3.800 3.497 3.491 3.506 . 0 0 "[ . 1]" 1
5 1 1 DG H1 1 10 DT H1' 3.000 2.200 3.800 3.569 3.510 3.622 . 0 0 "[ . 1]" 1
6 1 1 DG H1 1 12 DG H8 4.000 2.500 5.500 4.175 4.168 4.182 . 0 0 "[ . 1]" 1
7 1 1 DG H1 1 13 DG H1 5.000 3.200 6.800 3.284 3.250 3.334 . 0 0 "[ . 1]" 1
8 1 1 DG H1' 1 1 DG H2' 2.400 . 3.200 3.029 3.019 3.037 . 0 0 "[ . 1]" 1
9 1 1 DG H1' 1 1 DG H2'' 2.738 . 3.559 2.369 2.350 2.391 . 0 0 "[ . 1]" 1
10 1 1 DG H1' 1 1 DG H3' 3.184 2.229 4.139 3.841 3.799 3.884 . 0 0 "[ . 1]" 1
11 1 1 DG H1' 1 1 DG H8 2.600 . 3.400 2.558 2.554 2.563 . 0 0 "[ . 1]" 1
12 1 1 DG H1' 1 2 DG H4' 4.444 3.111 5.777 3.857 3.783 3.935 . 0 0 "[ . 1]" 1
13 1 1 DG H1' 1 2 DG H5' 3.000 . 4.800 3.388 3.200 3.527 . 0 0 "[ . 1]" 1
14 1 1 DG H1' 1 2 DG H5'' 3.000 . 4.300 1.903 1.875 1.932 . 0 0 "[ . 1]" 1
15 1 1 DG H1' 1 2 DG H8 4.940 3.458 6.422 3.433 3.414 3.454 0.044 2 0 "[ . 1]" 1
16 1 1 DG H1' 1 10 DT H6 4.897 3.428 6.366 5.092 4.858 5.285 . 0 0 "[ . 1]" 1
17 1 1 DG H1' 1 10 DT M7 3.223 2.256 4.190 2.803 2.700 2.889 . 0 0 "[ . 1]" 1
18 1 1 DG H2' 1 1 DG H2'' 2.400 . 3.200 1.786 1.783 1.790 . 0 0 "[ . 1]" 1
19 1 1 DG H2' 1 1 DG H3' 2.600 . 3.400 2.347 2.303 2.379 . 0 0 "[ . 1]" 1
20 1 1 DG H2' 1 1 DG H8 3.965 2.775 5.155 4.567 4.528 4.601 . 0 0 "[ . 1]" 1
21 1 1 DG H2' 1 2 DG H5' 2.918 . 4.118 4.054 3.984 4.144 0.026 10 0 "[ . 1]" 1
22 1 1 DG H2' 1 2 DG H8 2.600 . 3.400 3.486 3.456 3.511 0.111 2 0 "[ . 1]" 1
23 1 1 DG H2'' 1 1 DG H3' 2.500 . 3.300 2.727 2.669 2.806 . 0 0 "[ . 1]" 1
24 1 1 DG H2'' 1 1 DG H8 3.811 2.668 4.954 4.344 4.301 4.400 . 0 0 "[ . 1]" 1
25 1 1 DG H2'' 1 2 DG H5'' 3.293 . 4.793 1.738 1.708 1.764 0.085 2 0 "[ . 1]" 1
26 1 1 DG H2'' 1 2 DG H8 2.600 . 3.700 2.671 2.590 2.755 . 0 0 "[ . 1]" 1
27 1 1 DG H21 1 1 DG H22 3.000 . 4.200 1.754 1.752 1.755 0.048 2 0 "[ . 1]" 1
28 1 1 DG H21 1 10 DT H1' 4.000 2.800 5.200 3.142 3.092 3.197 . 0 0 "[ . 1]" 1
29 1 1 DG H21 1 12 DG H8 4.000 2.500 5.500 2.478 2.458 2.486 0.042 8 0 "[ . 1]" 1
30 1 1 DG H21 1 13 DG H1 5.000 3.200 6.800 4.721 4.676 4.770 . 0 0 "[ . 1]" 1
31 1 1 DG H22 1 13 DG H1 5.000 3.200 6.800 5.555 5.512 5.604 . 0 0 "[ . 1]" 1
32 1 1 DG H3' 1 1 DG H8 4.200 2.400 6.000 6.091 6.052 6.118 0.118 4 0 "[ . 1]" 1
33 1 1 DG H3' 1 2 DG H8 4.011 2.511 5.511 5.308 5.257 5.332 . 0 0 "[ . 1]" 1
34 1 1 DG H3' 1 10 DT H6 3.859 2.359 5.359 5.401 5.380 5.422 0.063 3 0 "[ . 1]" 1
35 1 1 DG H4' 1 10 DT H6 3.788 2.652 4.924 4.364 3.843 4.939 0.015 1 0 "[ . 1]" 1
36 1 1 DG H8 1 2 DG H1 5.000 3.200 6.800 6.056 6.025 6.107 . 0 0 "[ . 1]" 1
37 1 1 DG H8 1 2 DG H1' 4.607 3.225 5.989 3.779 3.739 3.809 . 0 0 "[ . 1]" 1
38 1 1 DG H8 1 2 DG H4' 3.693 2.293 5.093 4.744 4.598 4.860 . 0 0 "[ . 1]" 1
39 1 1 DG H8 1 2 DG H5' 3.881 2.181 5.581 5.037 4.961 5.131 . 0 0 "[ . 1]" 1
40 1 1 DG H8 1 2 DG H5'' 3.881 2.581 5.181 3.343 3.254 3.400 . 0 0 "[ . 1]" 1
41 1 1 DG H8 1 2 DG H8 4.068 2.568 5.568 3.767 3.688 3.863 . 0 0 "[ . 1]" 1
42 1 1 DG H8 1 7 DG H1 4.000 2.500 5.500 5.521 5.513 5.540 0.040 10 0 "[ . 1]" 1
43 1 1 DG H8 1 9 DT H5' 4.935 3.235 6.635 5.586 5.502 5.667 . 0 0 "[ . 1]" 1
44 1 1 DG H8 1 9 DT H5'' 4.935 3.235 6.635 6.603 6.551 6.648 0.013 4 0 "[ . 1]" 1
45 1 1 DG H8 1 10 DT H3 5.000 3.200 6.800 5.445 5.157 5.655 . 0 0 "[ . 1]" 1
46 1 1 DG H8 1 10 DT M7 3.000 2.100 3.900 2.498 2.399 2.688 . 0 0 "[ . 1]" 1
47 1 2 DG H1 1 2 DG H1' 5.000 3.200 6.800 5.825 5.794 5.845 . 0 0 "[ . 1]" 1
48 1 2 DG H1 1 2 DG H21 3.000 2.200 3.800 2.258 2.255 2.265 . 0 0 "[ . 1]" 1
49 1 2 DG H1 1 2 DG H22 3.000 2.200 3.800 3.518 3.515 3.522 . 0 0 "[ . 1]" 1
50 1 2 DG H1 1 6 DG H1 5.000 3.200 6.800 4.522 4.516 4.532 . 0 0 "[ . 1]" 1
51 1 2 DG H1 1 6 DG H8 4.000 2.800 5.200 3.982 3.952 4.015 . 0 0 "[ . 1]" 1
52 1 2 DG H1 1 7 DG H1 4.000 2.800 5.200 3.422 3.368 3.488 . 0 0 "[ . 1]" 1
53 1 2 DG H1' 1 2 DG H2' 2.400 . 3.200 2.774 2.763 2.782 . 0 0 "[ . 1]" 1
54 1 2 DG H1' 1 2 DG H2'' 2.454 . 3.190 2.261 2.255 2.269 . 0 0 "[ . 1]" 1
55 1 2 DG H1' 1 2 DG H3' 3.575 2.503 4.647 4.016 3.989 4.034 . 0 0 "[ . 1]" 1
56 1 2 DG H1' 1 2 DG H4' 3.500 2.300 4.700 3.676 3.640 3.709 . 0 0 "[ . 1]" 1
57 1 2 DG H1' 1 2 DG H5' 3.800 2.500 5.100 4.937 4.820 5.078 . 0 0 "[ . 1]" 1
58 1 2 DG H1' 1 2 DG H5'' 3.800 2.500 5.100 4.151 4.138 4.177 . 0 0 "[ . 1]" 1
59 1 2 DG H1' 1 2 DG H8 3.733 2.613 4.853 3.905 3.891 3.919 . 0 0 "[ . 1]" 1
60 1 2 DG H1' 1 3 DT H6 5.000 3.500 6.500 6.539 6.521 6.557 0.057 8 0 "[ . 1]" 1
61 1 2 DG H2' 1 2 DG H2'' 2.400 . 3.200 1.790 1.788 1.791 . 0 0 "[ . 1]" 1
62 1 2 DG H2' 1 2 DG H3' 2.900 . 3.800 2.297 2.291 2.305 . 0 0 "[ . 1]" 1
63 1 2 DG H2' 1 2 DG H4' 3.771 2.640 4.902 4.061 4.045 4.071 . 0 0 "[ . 1]" 1
64 1 2 DG H2' 1 2 DG H5' 3.860 2.460 5.260 4.094 3.886 4.368 . 0 0 "[ . 1]" 1
65 1 2 DG H2' 1 2 DG H5'' 3.860 2.460 5.260 4.107 3.958 4.213 . 0 0 "[ . 1]" 1
66 1 2 DG H2' 1 2 DG H8 2.674 . 3.476 3.123 3.059 3.167 . 0 0 "[ . 1]" 1
67 1 2 DG H2' 1 4 DT M7 3.100 2.200 4.000 2.801 2.756 2.828 . 0 0 "[ . 1]" 1
68 1 2 DG H2'' 1 2 DG H3' 2.700 . 3.500 2.962 2.949 2.982 . 0 0 "[ . 1]" 1
69 1 2 DG H2'' 1 2 DG H4' 3.863 2.463 5.263 3.451 3.354 3.517 . 0 0 "[ . 1]" 1
70 1 2 DG H2'' 1 2 DG H5' 4.000 2.700 5.300 4.632 4.553 4.720 . 0 0 "[ . 1]" 1
71 1 2 DG H2'' 1 2 DG H5'' 4.000 2.700 5.300 4.672 4.584 4.755 . 0 0 "[ . 1]" 1
72 1 2 DG H2'' 1 2 DG H8 3.000 . 4.300 4.356 4.339 4.375 0.075 3 0 "[ . 1]" 1
73 1 2 DG H2'' 1 4 DT M7 3.600 . 5.400 4.270 4.254 4.295 . 0 0 "[ . 1]" 1
74 1 2 DG H3' 1 2 DG H4' 3.032 2.122 3.942 2.914 2.895 2.941 . 0 0 "[ . 1]" 1
75 1 2 DG H3' 1 2 DG H5' 2.702 . 3.802 2.131 2.040 2.277 . 0 0 "[ . 1]" 1
76 1 2 DG H3' 1 2 DG H5'' 2.702 . 3.802 2.984 2.725 3.187 . 0 0 "[ . 1]" 1
77 1 2 DG H3' 1 2 DG H8 3.900 2.100 5.700 2.839 2.694 2.941 . 0 0 "[ . 1]" 1
78 1 2 DG H3' 1 3 DT H6 5.000 3.200 6.800 4.264 4.162 4.396 . 0 0 "[ . 1]" 1
79 1 2 DG H3' 1 3 DT M7 3.859 2.701 5.017 3.708 3.564 3.864 . 0 0 "[ . 1]" 1
80 1 2 DG H3' 1 4 DT M7 3.900 2.500 5.300 4.079 4.015 4.158 . 0 0 "[ . 1]" 1
81 1 2 DG H4' 1 2 DG H5' 2.900 2.100 3.700 2.743 2.640 2.829 . 0 0 "[ . 1]" 1
82 1 2 DG H4' 1 2 DG H5'' 2.900 2.100 3.700 2.925 2.871 2.979 . 0 0 "[ . 1]" 1
83 1 2 DG H4' 1 2 DG H8 3.350 2.345 4.355 4.171 4.104 4.279 . 0 0 "[ . 1]" 1
84 1 2 DG H5' 1 2 DG H8 3.505 2.205 4.805 2.776 2.471 3.160 . 0 0 "[ . 1]" 1
85 1 2 DG H5' 1 3 DT H6 4.136 2.336 5.936 5.594 5.264 5.991 0.055 2 0 "[ . 1]" 1
86 1 2 DG H5' 1 3 DT M7 4.281 2.781 5.781 3.992 3.578 4.505 . 0 0 "[ . 1]" 1
87 1 2 DG H5'' 1 2 DG H8 3.505 2.005 5.005 1.979 1.953 2.024 0.052 2 0 "[ . 1]" 1
88 1 2 DG H5'' 1 3 DT H6 4.400 2.600 6.200 6.081 5.949 6.203 0.003 3 0 "[ . 1]" 1
89 1 2 DG H5'' 1 3 DT M7 4.500 3.000 6.000 4.719 4.585 4.838 . 0 0 "[ . 1]" 1
90 1 2 DG H8 1 4 DT M7 3.600 . 5.400 3.204 3.149 3.245 . 0 0 "[ . 1]" 1
91 1 3 DT H1' 1 3 DT H2' 2.417 . 3.142 2.962 2.949 2.976 . 0 0 "[ . 1]" 1
92 1 3 DT H1' 1 3 DT H2'' 3.174 2.222 4.126 2.265 2.261 2.272 . 0 0 "[ . 1]" 1
93 1 3 DT H1' 1 3 DT H3' 5.000 3.500 6.500 4.015 3.987 4.042 . 0 0 "[ . 1]" 1
94 1 3 DT H1' 1 3 DT H5' 3.300 . 4.600 3.892 3.844 3.965 . 0 0 "[ . 1]" 1
95 1 3 DT H1' 1 3 DT H5'' 3.200 2.100 4.300 4.281 4.265 4.306 0.006 4 0 "[ . 1]" 1
96 1 3 DT H1' 1 3 DT H6 3.490 2.190 4.790 3.081 3.013 3.169 . 0 0 "[ . 1]" 1
97 1 3 DT H1' 1 14 DT H4' 4.500 2.700 6.300 6.318 6.314 6.322 0.022 8 0 "[ . 1]" 1
98 1 3 DT H2' 1 3 DT H2'' 2.400 . 3.200 1.798 1.797 1.800 . 0 0 "[ . 1]" 1
99 1 3 DT H2' 1 3 DT H6 3.000 . 4.200 4.170 4.084 4.232 0.032 8 0 "[ . 1]" 1
100 1 3 DT H2' 1 4 DT H6 5.000 3.200 6.800 6.692 6.497 6.801 0.001 1 0 "[ . 1]" 1
101 1 3 DT H2'' 1 3 DT H5' 3.333 2.033 4.633 3.591 3.581 3.600 . 0 0 "[ . 1]" 1
102 1 3 DT H2'' 1 3 DT H5'' 3.333 2.033 4.633 4.755 4.751 4.766 0.133 3 0 "[ . 1]" 1
103 1 3 DT H2'' 1 3 DT H6 3.200 . 4.600 4.724 4.716 4.731 0.131 10 0 "[ . 1]" 1
104 1 3 DT H2'' 1 4 DT H6 5.000 3.500 6.500 6.000 5.791 6.088 . 0 0 "[ . 1]" 1
105 1 3 DT H3' 1 3 DT H6 4.470 3.129 5.811 5.123 5.057 5.178 . 0 0 "[ . 1]" 1
106 1 3 DT H3' 1 4 DT H6 4.588 2.988 6.188 6.038 5.908 6.101 . 0 0 "[ . 1]" 1
107 1 3 DT H5' 1 3 DT H6 3.877 2.177 5.577 3.475 3.370 3.532 . 0 0 "[ . 1]" 1
108 1 3 DT H5'' 1 3 DT H6 3.877 2.477 5.277 2.663 2.517 2.776 . 0 0 "[ . 1]" 1
109 1 3 DT H6 1 3 DT M7 2.395 . 3.113 2.387 2.380 2.393 . 0 0 "[ . 1]" 1
110 1 3 DT H6 1 4 DT M7 4.500 2.700 6.300 2.153 2.050 2.249 0.650 8 6 "[* * .**+ -]" 1
111 1 3 DT H6 1 15 DT H4' 5.000 3.200 6.800 6.898 6.886 6.916 0.116 1 0 "[ . 1]" 1
112 1 3 DT M7 1 4 DT M7 3.500 . 5.300 2.980 2.888 3.033 . 0 0 "[ . 1]" 1
113 1 4 DT H1' 1 4 DT H2' 2.400 . 3.200 2.946 2.944 2.951 . 0 0 "[ . 1]" 1
114 1 4 DT H1' 1 4 DT H2'' 2.575 . 3.347 2.282 2.280 2.286 . 0 0 "[ . 1]" 1
115 1 4 DT H1' 1 4 DT H3' 5.000 3.500 6.500 3.995 3.985 4.002 . 0 0 "[ . 1]" 1
116 1 4 DT H1' 1 4 DT H4' 4.856 3.156 6.556 3.669 3.579 3.720 . 0 0 "[ . 1]" 1
117 1 4 DT H1' 1 4 DT H5' 3.200 . 4.700 4.707 4.698 4.714 0.014 1 0 "[ . 1]" 1
118 1 4 DT H1' 1 4 DT H5'' 3.500 2.100 4.900 5.005 4.984 5.025 0.125 4 0 "[ . 1]" 1
119 1 4 DT H1' 1 4 DT H6 4.013 2.809 5.217 3.342 3.325 3.374 . 0 0 "[ . 1]" 1
120 1 4 DT H1' 1 5 DT M7 3.354 2.154 4.554 1.796 1.677 1.859 0.477 2 0 "[ . 1]" 1
121 1 4 DT H1' 1 15 DT H4' 5.000 3.200 6.800 5.522 5.358 5.633 . 0 0 "[ . 1]" 1
122 1 4 DT H2' 1 4 DT H2'' 2.400 . 3.200 1.795 1.792 1.798 . 0 0 "[ . 1]" 1
123 1 4 DT H2' 1 4 DT H3' 2.400 . 3.200 2.352 2.328 2.369 . 0 0 "[ . 1]" 1
124 1 4 DT H2' 1 4 DT H4' 4.651 3.256 6.046 3.922 3.900 3.959 . 0 0 "[ . 1]" 1
125 1 4 DT H2' 1 4 DT H5' 4.796 3.196 6.396 4.191 4.116 4.328 . 0 0 "[ . 1]" 1
126 1 4 DT H2' 1 4 DT H6 2.794 . 3.632 3.708 3.663 3.731 0.099 1 0 "[ . 1]" 1
127 1 4 DT H2' 1 5 DT M7 2.804 . 4.204 3.477 3.461 3.510 . 0 0 "[ . 1]" 1
128 1 4 DT H2'' 1 4 DT H3' 2.400 . 3.200 2.761 2.747 2.779 . 0 0 "[ . 1]" 1
129 1 4 DT H2'' 1 4 DT H4' 3.845 2.691 4.999 4.033 3.982 4.062 . 0 0 "[ . 1]" 1
130 1 4 DT H2'' 1 4 DT H5'' 4.796 3.196 6.396 4.667 4.606 4.751 . 0 0 "[ . 1]" 1
131 1 4 DT H2'' 1 4 DT H6 3.000 . 4.600 4.600 4.579 4.610 0.010 10 0 "[ . 1]" 1
132 1 4 DT H2'' 1 5 DT M7 2.804 . 3.804 2.633 2.607 2.661 . 0 0 "[ . 1]" 1
133 1 4 DT H3' 1 4 DT H4' 2.921 2.045 3.797 2.730 2.710 2.765 . 0 0 "[ . 1]" 1
134 1 4 DT H3' 1 4 DT H5' 2.960 . 4.160 3.622 3.608 3.637 . 0 0 "[ . 1]" 1
135 1 4 DT H3' 1 4 DT H5'' 2.960 . 4.160 2.363 2.345 2.381 . 0 0 "[ . 1]" 1
136 1 4 DT H3' 1 4 DT H6 4.020 2.814 5.226 4.552 4.432 4.614 . 0 0 "[ . 1]" 1
137 1 4 DT H4' 1 4 DT H5' 2.800 . 3.600 2.387 2.378 2.393 . 0 0 "[ . 1]" 1
138 1 4 DT H4' 1 4 DT H5'' 2.800 . 3.600 2.416 2.399 2.423 . 0 0 "[ . 1]" 1
139 1 4 DT H4' 1 4 DT H6 4.600 3.220 5.980 3.573 3.550 3.606 . 0 0 "[ . 1]" 1
140 1 4 DT H4' 1 4 DT M7 4.300 2.500 6.100 5.096 5.078 5.123 . 0 0 "[ . 1]" 1
141 1 4 DT H4' 1 6 DG H8 3.909 2.409 5.409 4.097 3.886 4.450 . 0 0 "[ . 1]" 1
142 1 4 DT H5' 1 4 DT H6 4.500 2.700 6.300 2.623 2.617 2.633 0.083 3 0 "[ . 1]" 1
143 1 4 DT H5' 1 5 DT H5' 3.081 . 4.281 3.938 3.500 4.224 . 0 0 "[ . 1]" 1
144 1 4 DT H5' 1 5 DT H5'' 3.081 . 4.281 3.915 3.688 4.237 . 0 0 "[ . 1]" 1
145 1 4 DT H5' 1 6 DG H8 5.000 3.500 6.500 4.695 4.605 4.764 . 0 0 "[ . 1]" 1
146 1 4 DT H5'' 1 4 DT H6 5.000 3.200 6.800 3.864 3.838 3.893 . 0 0 "[ . 1]" 1
147 1 4 DT H5'' 1 5 DT H5' 3.081 . 4.281 4.345 4.294 4.375 0.094 10 0 "[ . 1]" 1
148 1 4 DT H5'' 1 5 DT H5'' 3.081 . 4.281 4.356 4.328 4.367 0.086 1 0 "[ . 1]" 1
149 1 4 DT H5'' 1 6 DG H8 5.000 3.500 6.500 5.204 5.071 5.286 . 0 0 "[ . 1]" 1
150 1 4 DT H6 1 4 DT M7 2.400 . 3.200 2.298 2.279 2.312 . 0 0 "[ . 1]" 1
151 1 4 DT M7 1 15 DT H3 5.000 3.200 6.800 5.018 4.954 5.134 . 0 0 "[ . 1]" 1
152 1 4 DT M7 1 15 DT H4' 5.000 3.200 6.800 5.708 5.695 5.725 . 0 0 "[ . 1]" 1
153 1 5 DT H1' 1 5 DT H2' 2.400 . 3.200 2.972 2.941 3.007 . 0 0 "[ . 1]" 1
154 1 5 DT H1' 1 5 DT H2'' 2.400 . 3.200 2.296 2.280 2.318 . 0 0 "[ . 1]" 1
155 1 5 DT H1' 1 5 DT H4' 3.189 2.232 4.146 3.288 3.135 3.512 . 0 0 "[ . 1]" 1
156 1 5 DT H1' 1 5 DT H5' 4.310 2.810 5.810 4.622 4.546 4.730 . 0 0 "[ . 1]" 1
157 1 5 DT H1' 1 5 DT H5'' 4.310 2.810 5.810 4.865 4.713 5.129 . 0 0 "[ . 1]" 1
158 1 5 DT H1' 1 5 DT H6 3.432 2.402 4.462 3.660 3.632 3.701 . 0 0 "[ . 1]" 1
159 1 5 DT H2' 1 5 DT H2'' 2.400 . 3.200 1.791 1.788 1.795 . 0 0 "[ . 1]" 1
160 1 5 DT H2' 1 5 DT H3' 2.400 . 3.200 2.318 2.292 2.374 . 0 0 "[ . 1]" 1
161 1 5 DT H2' 1 5 DT H4' 3.659 2.561 4.757 3.941 3.876 3.978 . 0 0 "[ . 1]" 1
162 1 5 DT H2' 1 5 DT H6 2.869 2.008 3.730 2.715 2.560 2.830 . 0 0 "[ . 1]" 1
163 1 5 DT H2'' 1 5 DT H3' 2.400 . 3.200 2.829 2.725 2.905 . 0 0 "[ . 1]" 1
164 1 5 DT H2'' 1 5 DT H4' 3.709 2.596 4.822 3.729 3.490 4.024 . 0 0 "[ . 1]" 1
165 1 5 DT H2'' 1 5 DT H6 2.800 . 4.100 4.082 4.006 4.132 0.032 3 0 "[ . 1]" 1
166 1 5 DT H3 1 14 DT H3 5.000 3.200 6.800 6.735 6.698 6.774 . 0 0 "[ . 1]" 1
167 1 5 DT H3 1 16 DT H3 5.000 3.200 6.800 6.932 6.928 6.935 0.135 2 0 "[ . 1]" 1
168 1 5 DT H3' 1 5 DT H4' 2.765 . 3.594 2.857 2.725 2.944 . 0 0 "[ . 1]" 1
169 1 5 DT H3' 1 5 DT H5' 3.877 2.377 5.377 3.050 2.623 3.679 . 0 0 "[ . 1]" 1
170 1 5 DT H3' 1 5 DT H5'' 3.877 2.377 5.377 3.185 2.488 3.648 . 0 0 "[ . 1]" 1
171 1 5 DT H3' 1 5 DT H6 3.397 2.378 4.416 3.601 3.287 4.000 . 0 0 "[ . 1]" 1
172 1 5 DT H4' 1 5 DT H5' 2.423 . 3.423 2.805 2.442 3.047 . 0 0 "[ . 1]" 1
173 1 5 DT H4' 1 5 DT H5'' 2.423 . 3.423 2.447 2.410 2.498 . 0 0 "[ . 1]" 1
174 1 5 DT H4' 1 5 DT H6 5.000 3.500 6.500 4.114 4.088 4.138 . 0 0 "[ . 1]" 1
175 1 5 DT H4' 1 5 DT M7 5.000 3.200 6.800 5.651 5.620 5.673 . 0 0 "[ . 1]" 1
176 1 5 DT H4' 1 6 DG H2'' 4.013 2.713 5.313 5.104 4.734 5.378 0.065 2 0 "[ . 1]" 1
177 1 5 DT H4' 1 6 DG H3' 3.000 . 4.200 4.252 4.219 4.280 0.080 3 0 "[ . 1]" 1
178 1 5 DT H4' 1 6 DG H8 4.507 3.007 6.007 4.290 4.145 4.385 . 0 0 "[ . 1]" 1
179 1 5 DT H5' 1 5 DT H5'' 2.400 . 3.200 1.769 1.768 1.770 . 0 0 "[ . 1]" 1
180 1 5 DT H5' 1 5 DT H6 3.981 2.481 5.481 2.723 2.481 3.139 0.000 3 0 "[ . 1]" 1
181 1 5 DT H5' 1 6 DG H8 5.000 3.200 6.800 4.765 4.256 5.089 . 0 0 "[ . 1]" 1
182 1 5 DT H5'' 1 5 DT H6 3.981 2.481 5.481 3.722 3.679 3.770 . 0 0 "[ . 1]" 1
183 1 5 DT H5'' 1 6 DG H8 5.000 3.200 6.800 3.877 3.566 4.284 . 0 0 "[ . 1]" 1
184 1 5 DT H6 1 5 DT M7 2.400 . 3.200 2.336 2.323 2.352 . 0 0 "[ . 1]" 1
185 1 5 DT M7 1 14 DT H1' 4.500 2.700 6.300 5.171 5.166 5.181 . 0 0 "[ . 1]" 1
186 1 5 DT M7 1 14 DT H3 5.000 3.200 6.800 4.527 4.458 4.626 . 0 0 "[ . 1]" 1
187 1 6 DG H1 1 6 DG H21 3.000 2.200 3.800 2.241 2.233 2.252 . 0 0 "[ . 1]" 1
188 1 6 DG H1 1 6 DG H22 3.000 2.200 3.800 3.502 3.494 3.509 . 0 0 "[ . 1]" 1
189 1 6 DG H1 1 17 DG H1 4.000 2.800 5.200 4.257 4.237 4.273 . 0 0 "[ . 1]" 1
190 1 6 DG H1 1 17 DG H8 4.000 2.800 5.200 5.211 5.191 5.228 0.028 2 0 "[ . 1]" 1
191 1 6 DG H1' 1 6 DG H2' 2.400 . 3.200 2.981 2.945 3.028 . 0 0 "[ . 1]" 1
192 1 6 DG H1' 1 6 DG H2'' 2.871 2.010 3.732 2.281 2.237 2.330 . 0 0 "[ . 1]" 1
193 1 6 DG H1' 1 6 DG H4' 3.500 2.300 4.700 2.595 2.563 2.666 . 0 0 "[ . 1]" 1
194 1 6 DG H1' 1 6 DG H8 2.400 . 3.200 2.642 2.597 2.705 . 0 0 "[ . 1]" 1
195 1 6 DG H1' 1 7 DG H8 3.798 2.659 4.937 3.555 3.122 3.879 . 0 0 "[ . 1]" 1
196 1 6 DG H2' 1 6 DG H2'' 2.400 . 3.200 1.794 1.791 1.797 . 0 0 "[ . 1]" 1
197 1 6 DG H2' 1 6 DG H3' 2.968 2.078 3.858 2.290 2.274 2.309 . 0 0 "[ . 1]" 1
198 1 6 DG H2' 1 6 DG H4' 3.369 2.358 4.380 3.817 3.772 3.859 . 0 0 "[ . 1]" 1
199 1 6 DG H2' 1 6 DG H5' 3.986 2.486 5.486 4.743 4.436 5.027 . 0 0 "[ . 1]" 1
200 1 6 DG H2' 1 6 DG H5'' 3.986 2.486 5.486 4.876 4.209 5.116 . 0 0 "[ . 1]" 1
201 1 6 DG H2' 1 6 DG H8 5.000 3.500 6.500 4.528 4.372 4.684 . 0 0 "[ . 1]" 1
202 1 6 DG H2' 1 7 DG H8 3.300 . 4.700 2.479 1.932 3.156 . 0 0 "[ . 1]" 1
203 1 6 DG H2'' 1 6 DG H3' 3.619 2.533 4.705 2.938 2.871 2.993 . 0 0 "[ . 1]" 1
204 1 6 DG H2'' 1 6 DG H4' 3.596 2.296 4.896 3.207 2.975 3.451 . 0 0 "[ . 1]" 1
205 1 6 DG H2'' 1 6 DG H5' 3.154 . 4.954 5.035 4.806 5.111 0.157 10 0 "[ . 1]" 1
206 1 6 DG H2'' 1 6 DG H5'' 3.900 2.500 5.300 4.968 4.820 5.188 . 0 0 "[ . 1]" 1
207 1 6 DG H2'' 1 6 DG H8 4.409 3.086 5.732 4.514 4.311 4.707 . 0 0 "[ . 1]" 1
208 1 6 DG H2'' 1 7 DG H8 3.000 . 4.200 2.155 2.106 2.223 . 0 0 "[ . 1]" 1
209 1 6 DG H3' 1 6 DG H5' 3.504 2.204 4.804 3.316 2.754 3.554 . 0 0 "[ . 1]" 1
210 1 6 DG H3' 1 6 DG H5'' 3.504 2.204 4.804 3.125 2.481 3.315 . 0 0 "[ . 1]" 1
211 1 6 DG H3' 1 7 DG H8 3.397 . 4.897 4.407 3.905 4.930 0.033 1 0 "[ . 1]" 1
212 1 6 DG H4' 1 6 DG H5' 3.484 2.184 4.784 2.649 2.515 2.753 . 0 0 "[ . 1]" 1
213 1 6 DG H4' 1 6 DG H5'' 3.484 2.184 4.784 2.435 2.256 3.046 . 0 0 "[ . 1]" 1
214 1 6 DG H4' 1 6 DG H8 4.036 2.825 5.247 4.804 4.508 5.088 . 0 0 "[ . 1]" 1
215 1 6 DG H4' 1 7 DG H8 3.703 2.303 5.103 5.163 5.115 5.205 0.102 10 0 "[ . 1]" 1
216 1 6 DG H8 1 7 DG H1' 4.047 2.833 5.261 3.152 2.972 3.286 . 0 0 "[ . 1]" 1
217 1 6 DG H8 1 7 DG H8 4.594 3.216 5.972 4.902 4.719 5.100 . 0 0 "[ . 1]" 1
218 1 7 DG H1 1 8 DT H1' 4.000 2.800 5.200 4.234 4.203 4.255 . 0 0 "[ . 1]" 1
219 1 7 DG H1 1 10 DT H3 4.000 2.800 5.200 2.742 2.728 2.754 0.072 4 0 "[ . 1]" 1
220 1 7 DG H1 1 10 DT M7 5.000 3.200 6.800 5.353 5.150 5.640 . 0 0 "[ . 1]" 1
221 1 7 DG H1' 1 7 DG H2' 2.400 . 3.200 3.031 3.029 3.032 . 0 0 "[ . 1]" 1
222 1 7 DG H1' 1 7 DG H2'' 2.653 . 3.753 2.363 2.360 2.368 . 0 0 "[ . 1]" 1
223 1 7 DG H1' 1 7 DG H3' 5.000 3.500 6.500 3.735 3.726 3.749 . 0 0 "[ . 1]" 1
224 1 7 DG H1' 1 7 DG H4' 3.279 2.295 4.263 3.485 3.456 3.516 . 0 0 "[ . 1]" 1
225 1 7 DG H1' 1 7 DG H8 5.000 3.500 6.500 3.883 3.860 3.904 . 0 0 "[ . 1]" 1
226 1 7 DG H1' 1 8 DT H1' 3.167 . 4.967 5.084 5.072 5.102 0.135 1 0 "[ . 1]" 1
227 1 7 DG H1' 1 8 DT H6 4.804 3.363 6.245 4.100 4.017 4.189 . 0 0 "[ . 1]" 1
228 1 7 DG H2' 1 7 DG H3' 2.600 . 3.400 2.442 2.437 2.450 . 0 0 "[ . 1]" 1
229 1 7 DG H2' 1 7 DG H4' 4.242 2.969 5.515 3.702 3.686 3.715 . 0 0 "[ . 1]" 1
230 1 7 DG H2' 1 7 DG H8 2.600 . 3.400 2.940 2.915 2.970 . 0 0 "[ . 1]" 1
231 1 7 DG H2' 1 8 DT H6 2.900 . 3.800 2.492 2.461 2.530 . 0 0 "[ . 1]" 1
232 1 7 DG H2' 1 8 DT M7 2.778 . 3.611 1.872 1.860 1.891 0.085 10 0 "[ . 1]" 1
233 1 7 DG H2'' 1 7 DG H3' 2.600 . 3.400 2.658 2.657 2.661 . 0 0 "[ . 1]" 1
234 1 7 DG H2'' 1 7 DG H4' 5.000 3.500 6.500 4.144 4.141 4.148 . 0 0 "[ . 1]" 1
235 1 7 DG H2'' 1 7 DG H8 2.700 . 4.200 4.252 4.228 4.276 0.076 8 0 "[ . 1]" 1
236 1 7 DG H2'' 1 8 DT H6 3.387 2.187 4.587 2.155 2.140 2.175 0.047 2 0 "[ . 1]" 1
237 1 7 DG H2'' 1 8 DT M7 2.900 . 3.900 3.163 3.154 3.172 . 0 0 "[ . 1]" 1
238 1 7 DG H3' 1 7 DG H8 4.581 3.207 5.955 4.878 4.851 4.894 . 0 0 "[ . 1]" 1
239 1 7 DG H3' 1 8 DT H6 3.732 2.612 4.852 4.183 4.151 4.217 . 0 0 "[ . 1]" 1
240 1 7 DG H3' 1 8 DT M7 3.887 2.721 5.053 3.813 3.769 3.867 . 0 0 "[ . 1]" 1
241 1 7 DG H4' 1 7 DG H8 4.175 2.922 5.428 4.537 4.444 4.617 . 0 0 "[ . 1]" 1
242 1 7 DG H4' 1 8 DT M7 4.500 2.900 6.100 4.849 4.836 4.869 . 0 0 "[ . 1]" 1
243 1 7 DG H5'' 1 8 DT H2' 5.000 3.200 6.800 6.818 6.759 6.857 0.057 4 0 "[ . 1]" 1
244 1 7 DG H8 1 8 DT H6 4.989 3.492 6.486 4.543 4.412 4.702 . 0 0 "[ . 1]" 1
245 1 7 DG H8 1 8 DT M7 3.109 . 4.309 2.388 2.253 2.574 . 0 0 "[ . 1]" 1
246 1 7 DG H8 1 18 DG H1 3.000 2.200 3.800 3.914 3.899 3.927 0.127 8 0 "[ . 1]" 1
247 1 8 DT H1' 1 8 DT H2' 2.400 . 3.200 3.055 3.051 3.060 . 0 0 "[ . 1]" 1
248 1 8 DT H1' 1 8 DT H2'' 2.915 2.040 3.790 2.416 2.409 2.426 . 0 0 "[ . 1]" 1
249 1 8 DT H1' 1 8 DT H3 5.000 3.200 6.800 4.509 4.505 4.515 . 0 0 "[ . 1]" 1
250 1 8 DT H1' 1 8 DT H3' 3.378 2.365 4.391 3.810 3.800 3.820 . 0 0 "[ . 1]" 1
251 1 8 DT H1' 1 8 DT H4' 3.600 2.500 4.700 2.834 2.779 2.869 . 0 0 "[ . 1]" 1
252 1 8 DT H1' 1 8 DT H5' 3.578 2.278 4.878 4.837 4.809 4.855 . 0 0 "[ . 1]" 1
253 1 8 DT H1' 1 8 DT H5'' 3.578 2.278 4.878 4.475 4.461 4.485 . 0 0 "[ . 1]" 1
254 1 8 DT H1' 1 8 DT H6 3.478 2.435 4.521 3.636 3.625 3.641 . 0 0 "[ . 1]" 1
255 1 8 DT H1' 1 9 DT H5' 4.535 2.935 6.135 3.791 3.710 3.850 . 0 0 "[ . 1]" 1
256 1 8 DT H1' 1 9 DT H5'' 4.535 2.935 6.135 4.013 3.973 4.076 . 0 0 "[ . 1]" 1
257 1 8 DT H1' 1 9 DT H6 4.374 3.062 5.686 4.705 4.646 4.744 . 0 0 "[ . 1]" 1
258 1 8 DT H1' 1 10 DT H3 3.000 2.200 3.800 3.297 3.213 3.342 . 0 0 "[ . 1]" 1
259 1 8 DT H2' 1 8 DT H2'' 2.400 . 3.200 1.796 1.795 1.797 . 0 0 "[ . 1]" 1
260 1 8 DT H2' 1 8 DT H3' 2.934 2.054 3.814 2.319 2.310 2.322 . 0 0 "[ . 1]" 1
261 1 8 DT H2' 1 8 DT H4' 3.052 2.136 3.968 3.856 3.850 3.863 . 0 0 "[ . 1]" 1
262 1 8 DT H2' 1 8 DT H5' 3.200 2.100 4.300 4.252 4.178 4.309 0.009 10 0 "[ . 1]" 1
263 1 8 DT H2' 1 8 DT H5'' 3.200 2.100 4.300 3.208 3.159 3.267 . 0 0 "[ . 1]" 1
264 1 8 DT H2' 1 8 DT H6 3.494 2.446 4.542 2.433 2.414 2.474 0.032 4 0 "[ . 1]" 1
265 1 8 DT H2' 1 10 DT H3 5.000 3.200 6.800 5.700 5.661 5.729 . 0 0 "[ . 1]" 1
266 1 8 DT H2'' 1 8 DT H3' 2.400 . 3.200 2.759 2.747 2.770 . 0 0 "[ . 1]" 1
267 1 8 DT H2'' 1 8 DT H4' 4.037 2.826 5.248 3.831 3.803 3.850 . 0 0 "[ . 1]" 1
268 1 8 DT H2'' 1 8 DT H5' 3.500 2.186 4.986 4.943 4.903 4.968 . 0 0 "[ . 1]" 1
269 1 8 DT H2'' 1 8 DT H5'' 3.500 2.200 4.800 4.453 4.433 4.479 . 0 0 "[ . 1]" 1
270 1 8 DT H2'' 1 8 DT H6 3.000 . 4.200 3.858 3.846 3.880 . 0 0 "[ . 1]" 1
271 1 8 DT H2'' 1 9 DT H6 2.714 . 3.437 2.597 2.536 2.647 . 0 0 "[ . 1]" 1
272 1 8 DT H2'' 1 10 DT H3 4.000 2.800 5.200 4.628 4.568 4.656 . 0 0 "[ . 1]" 1
273 1 8 DT H3 1 8 DT M7 5.000 3.200 6.800 4.137 4.133 4.144 . 0 0 "[ . 1]" 1
274 1 8 DT H3 1 9 DT H3 4.000 2.800 5.200 4.091 4.043 4.180 . 0 0 "[ . 1]" 1
275 1 8 DT H3 1 10 DT H3 5.000 3.200 6.800 3.451 3.354 3.560 . 0 0 "[ . 1]" 1
276 1 8 DT H3' 1 8 DT H6 3.935 2.754 5.116 4.047 4.002 4.079 . 0 0 "[ . 1]" 1
277 1 8 DT H3' 1 9 DT H6 4.723 3.306 6.140 3.744 3.721 3.778 . 0 0 "[ . 1]" 1
278 1 8 DT H3' 1 9 DT M7 3.477 2.434 4.520 3.421 3.382 3.451 . 0 0 "[ . 1]" 1
279 1 8 DT H4' 1 8 DT H5' 3.200 2.100 4.300 2.450 2.438 2.466 . 0 0 "[ . 1]" 1
280 1 8 DT H4' 1 8 DT H5'' 3.200 2.100 4.300 3.035 3.034 3.036 . 0 0 "[ . 1]" 1
281 1 8 DT H4' 1 8 DT H6 3.301 2.311 4.291 4.402 4.391 4.411 0.120 3 0 "[ . 1]" 1
282 1 8 DT H6 1 8 DT M7 2.460 . 3.198 2.321 2.317 2.329 . 0 0 "[ . 1]" 1
283 1 8 DT H6 1 9 DT M7 2.982 2.087 3.877 3.079 3.061 3.100 . 0 0 "[ . 1]" 1
284 1 8 DT H6 1 10 DT H3 5.000 3.200 6.800 6.029 6.013 6.058 . 0 0 "[ . 1]" 1
285 1 8 DT M7 1 9 DT H1' 4.800 3.000 6.600 5.566 5.557 5.572 . 0 0 "[ . 1]" 1
286 1 9 DT H1' 1 9 DT H2' 2.384 . 3.099 3.039 3.037 3.041 . 0 0 "[ . 1]" 1
287 1 9 DT H1' 1 9 DT H2'' 2.856 . 3.713 2.363 2.359 2.366 . 0 0 "[ . 1]" 1
288 1 9 DT H1' 1 9 DT H3 5.000 3.200 6.800 4.446 4.441 4.453 . 0 0 "[ . 1]" 1
289 1 9 DT H1' 1 9 DT H3' 4.370 3.059 5.681 3.811 3.800 3.825 . 0 0 "[ . 1]" 1
290 1 9 DT H1' 1 9 DT H5' 5.000 3.200 6.800 4.598 4.591 4.607 . 0 0 "[ . 1]" 1
291 1 9 DT H1' 1 9 DT H5'' 5.000 3.200 6.800 4.678 4.669 4.686 . 0 0 "[ . 1]" 1
292 1 9 DT H1' 1 9 DT H6 3.453 2.417 4.489 3.681 3.678 3.684 . 0 0 "[ . 1]" 1
293 1 9 DT H1' 1 11 DT H6 4.622 3.235 6.009 4.549 4.319 4.742 . 0 0 "[ . 1]" 1
294 1 9 DT H1' 1 11 DT M7 2.757 . 3.584 2.596 2.339 2.905 . 0 0 "[ . 1]" 1
295 1 9 DT H2' 1 9 DT H3' 2.554 . 3.320 2.318 2.311 2.324 . 0 0 "[ . 1]" 1
296 1 9 DT H2' 1 9 DT H5' 5.000 3.200 6.800 4.916 4.902 4.936 . 0 0 "[ . 1]" 1
297 1 9 DT H2' 1 9 DT H5'' 5.000 3.200 6.800 3.867 3.852 3.890 . 0 0 "[ . 1]" 1
298 1 9 DT H2' 1 9 DT H6 2.400 . 3.200 1.844 1.834 1.858 . 0 0 "[ . 1]" 1
299 1 9 DT H2' 1 10 DT H3 5.000 3.200 6.800 6.298 6.237 6.363 . 0 0 "[ . 1]" 1
300 1 9 DT H2'' 1 9 DT H3' 2.400 . 3.200 2.857 2.851 2.866 . 0 0 "[ . 1]" 1
301 1 9 DT H2'' 1 9 DT H5'' 4.872 3.172 6.572 4.600 4.594 4.611 . 0 0 "[ . 1]" 1
302 1 9 DT H2'' 1 9 DT H6 2.400 . 3.200 3.259 3.245 3.274 0.074 10 0 "[ . 1]" 1
303 1 9 DT H2'' 1 9 DT M7 4.872 3.172 6.572 4.811 4.792 4.831 . 0 0 "[ . 1]" 1
304 1 9 DT H2'' 1 10 DT H3 5.000 3.200 6.800 6.517 6.433 6.615 . 0 0 "[ . 1]" 1
305 1 9 DT H3 1 9 DT M7 5.000 3.200 6.800 4.134 4.131 4.141 . 0 0 "[ . 1]" 1
306 1 9 DT H3 1 11 DT H1' 5.000 3.200 6.800 6.817 6.808 6.827 0.027 4 0 "[ . 1]" 1
307 1 9 DT H3 1 11 DT H3 5.000 3.200 6.800 3.701 3.561 3.956 . 0 0 "[ . 1]" 1
308 1 9 DT H3' 1 9 DT H5' 2.452 . 3.452 3.324 3.311 3.338 . 0 0 "[ . 1]" 1
309 1 9 DT H3' 1 9 DT H5'' 2.452 . 3.452 2.022 2.010 2.040 . 0 0 "[ . 1]" 1
310 1 9 DT H3' 1 9 DT H6 3.789 2.652 4.926 3.883 3.826 3.938 . 0 0 "[ . 1]" 1
311 1 9 DT H3' 1 10 DT H6 4.012 2.212 5.812 5.913 5.902 5.921 0.109 3 0 "[ . 1]" 1
312 1 9 DT H4' 1 10 DT M7 4.439 3.107 5.771 4.477 4.382 4.563 . 0 0 "[ . 1]" 1
313 1 9 DT H4' 1 11 DT M7 4.275 2.993 5.557 2.061 2.003 2.167 0.990 3 10 [**+-******] 1
314 1 9 DT H5' 1 9 DT H5'' 2.400 . 3.200 1.770 1.768 1.771 . 0 0 "[ . 1]" 1
315 1 9 DT H5' 1 9 DT H6 5.000 3.200 6.800 5.820 5.796 5.840 . 0 0 "[ . 1]" 1
316 1 9 DT H5' 1 10 DT H2'' 3.483 . 5.083 5.164 5.123 5.193 0.110 10 0 "[ . 1]" 1
317 1 9 DT H5' 1 10 DT H5' 5.000 3.200 6.800 3.414 3.314 3.608 . 0 0 "[ . 1]" 1
318 1 9 DT H5' 1 10 DT H5'' 5.000 3.200 6.800 4.921 4.748 5.138 . 0 0 "[ . 1]" 1
319 1 9 DT H5' 1 10 DT H6 3.999 2.599 5.399 3.195 3.126 3.255 . 0 0 "[ . 1]" 1
320 1 9 DT H5' 1 11 DT M7 3.877 2.477 5.277 3.842 3.812 3.887 . 0 0 "[ . 1]" 1
321 1 9 DT H5'' 1 9 DT H6 5.000 3.200 6.800 4.902 4.861 4.965 . 0 0 "[ . 1]" 1
322 1 9 DT H5'' 1 10 DT H2' 4.510 2.910 6.110 4.775 4.702 4.829 . 0 0 "[ . 1]" 1
323 1 9 DT H5'' 1 10 DT H5' 5.000 3.200 6.800 4.051 3.841 4.306 . 0 0 "[ . 1]" 1
324 1 9 DT H5'' 1 10 DT H5'' 5.000 3.200 6.800 5.211 4.895 5.532 . 0 0 "[ . 1]" 1
325 1 9 DT H5'' 1 10 DT H6 3.314 . 4.714 4.500 4.416 4.600 . 0 0 "[ . 1]" 1
326 1 9 DT H5'' 1 11 DT M7 3.877 2.477 5.277 4.238 4.207 4.271 . 0 0 "[ . 1]" 1
327 1 9 DT H6 1 9 DT M7 2.400 . 3.200 2.378 2.375 2.381 . 0 0 "[ . 1]" 1
328 1 9 DT H6 1 10 DT H3 5.000 3.200 6.800 6.514 6.486 6.553 . 0 0 "[ . 1]" 1
329 1 9 DT H6 1 11 DT M7 4.951 3.151 6.751 5.201 4.972 5.476 . 0 0 "[ . 1]" 1
330 1 10 DT H1' 1 10 DT H2' 2.400 . 3.200 2.979 2.968 2.989 . 0 0 "[ . 1]" 1
331 1 10 DT H1' 1 10 DT H2'' 2.975 2.083 3.867 2.295 2.286 2.301 . 0 0 "[ . 1]" 1
332 1 10 DT H1' 1 10 DT H3' 4.423 3.096 5.750 3.971 3.955 3.993 . 0 0 "[ . 1]" 1
333 1 10 DT H1' 1 10 DT H4' 4.103 2.872 5.334 3.729 3.693 3.765 . 0 0 "[ . 1]" 1
334 1 10 DT H1' 1 10 DT H5' 3.610 2.210 5.010 4.149 4.124 4.180 . 0 0 "[ . 1]" 1
335 1 10 DT H1' 1 10 DT H5'' 3.610 2.210 5.010 5.061 5.053 5.070 0.060 4 0 "[ . 1]" 1
336 1 10 DT H1' 1 10 DT H6 3.267 2.287 4.247 3.339 3.310 3.365 . 0 0 "[ . 1]" 1
337 1 10 DT H1' 1 11 DT H5' 4.148 2.648 5.648 2.636 2.629 2.647 0.019 2 0 "[ . 1]" 1
338 1 10 DT H1' 1 11 DT H5'' 4.148 2.648 5.648 4.057 4.002 4.131 . 0 0 "[ . 1]" 1
339 1 10 DT H1' 1 11 DT H6 5.000 3.500 6.500 4.427 4.397 4.472 . 0 0 "[ . 1]" 1
340 1 10 DT H1' 1 11 DT M7 4.973 3.481 6.465 4.314 4.286 4.352 . 0 0 "[ . 1]" 1
341 1 10 DT H2' 1 10 DT H2'' 2.400 . 3.200 1.789 1.787 1.791 . 0 0 "[ . 1]" 1
342 1 10 DT H2' 1 10 DT H3' 2.547 . 3.311 2.363 2.356 2.371 . 0 0 "[ . 1]" 1
343 1 10 DT H2' 1 10 DT H4' 5.000 3.500 6.500 3.835 3.813 3.851 . 0 0 "[ . 1]" 1
344 1 10 DT H2' 1 10 DT H5' 5.000 3.200 6.800 3.331 3.240 3.414 . 0 0 "[ . 1]" 1
345 1 10 DT H2' 1 10 DT H5'' 5.000 3.200 6.800 3.928 3.891 3.957 . 0 0 "[ . 1]" 1
346 1 10 DT H2' 1 10 DT H6 3.200 2.100 4.300 3.926 3.890 3.973 . 0 0 "[ . 1]" 1
347 1 10 DT H2' 1 11 DT H5'' 3.725 2.425 5.025 5.076 5.044 5.119 0.094 1 0 "[ . 1]" 1
348 1 10 DT H2'' 1 10 DT H3' 2.418 . 3.143 2.727 2.719 2.735 . 0 0 "[ . 1]" 1
349 1 10 DT H2'' 1 10 DT H4' 3.704 2.593 4.815 4.091 4.087 4.103 . 0 0 "[ . 1]" 1
350 1 10 DT H2'' 1 10 DT H5' 3.483 2.183 4.783 4.582 4.530 4.626 . 0 0 "[ . 1]" 1
351 1 10 DT H2'' 1 10 DT H5'' 3.700 2.400 5.000 5.022 5.007 5.039 0.039 2 0 "[ . 1]" 1
352 1 10 DT H2'' 1 10 DT H6 3.400 2.100 4.700 4.740 4.730 4.751 0.051 4 0 "[ . 1]" 1
353 1 10 DT H2'' 1 11 DT H5'' 3.000 . 4.000 3.324 3.281 3.385 . 0 0 "[ . 1]" 1
354 1 10 DT H3 1 10 DT H6 5.000 3.200 6.800 4.790 4.789 4.792 . 0 0 "[ . 1]" 1
355 1 10 DT H3 1 10 DT M7 5.000 3.200 6.800 4.131 4.123 4.134 . 0 0 "[ . 1]" 1
356 1 10 DT H3 1 11 DT M7 5.000 3.200 6.800 4.615 4.495 4.724 . 0 0 "[ . 1]" 1
357 1 10 DT H3' 1 10 DT H4' 3.412 2.388 4.436 2.674 2.666 2.682 . 0 0 "[ . 1]" 1
358 1 10 DT H3' 1 10 DT H5' 2.662 . 3.762 3.599 3.567 3.631 . 0 0 "[ . 1]" 1
359 1 10 DT H3' 1 10 DT H5'' 2.662 . 3.762 3.049 3.016 3.074 . 0 0 "[ . 1]" 1
360 1 10 DT H3' 1 10 DT H6 5.000 3.500 6.500 4.992 4.980 5.007 . 0 0 "[ . 1]" 1
361 1 10 DT H3' 1 11 DT H6 3.637 2.546 4.728 3.470 3.278 3.640 . 0 0 "[ . 1]" 1
362 1 10 DT H3' 1 11 DT M7 2.457 . 3.194 2.129 2.007 2.259 . 0 0 "[ . 1]" 1
363 1 10 DT H4' 1 10 DT H6 4.968 3.478 6.458 3.862 3.828 3.886 . 0 0 "[ . 1]" 1
364 1 10 DT H4' 1 11 DT M7 4.498 3.149 5.847 4.292 4.155 4.384 . 0 0 "[ . 1]" 1
365 1 10 DT H5' 1 10 DT H6 2.823 . 3.923 2.276 2.254 2.301 . 0 0 "[ . 1]" 1
366 1 10 DT H5' 1 11 DT H5' 4.420 2.820 6.020 6.069 6.020 6.092 0.072 8 0 "[ . 1]" 1
367 1 10 DT H5' 1 11 DT M7 3.444 2.144 4.744 3.904 3.846 3.965 . 0 0 "[ . 1]" 1
368 1 10 DT H5'' 1 10 DT H6 2.823 . 3.923 3.938 3.928 3.951 0.028 2 0 "[ . 1]" 1
369 1 10 DT H5'' 1 11 DT M7 3.444 2.144 4.744 3.917 3.732 4.020 . 0 0 "[ . 1]" 1
370 1 10 DT H6 1 10 DT M7 2.400 . 3.200 2.378 2.375 2.382 . 0 0 "[ . 1]" 1
371 1 11 DT H1' 1 11 DT H2' 2.400 . 3.200 2.865 2.788 3.037 . 0 0 "[ . 1]" 1
372 1 11 DT H1' 1 11 DT H2'' 2.941 2.059 3.823 2.303 2.278 2.357 . 0 0 "[ . 1]" 1
373 1 11 DT H1' 1 11 DT H3' 3.468 2.427 4.509 3.904 3.822 3.941 . 0 0 "[ . 1]" 1
374 1 11 DT H1' 1 11 DT H5' 4.299 2.799 5.799 4.568 4.548 4.592 . 0 0 "[ . 1]" 1
375 1 11 DT H1' 1 11 DT H5'' 4.299 2.799 5.799 5.137 5.004 5.200 . 0 0 "[ . 1]" 1
376 1 11 DT H1' 1 11 DT H6 3.469 2.428 4.510 3.606 3.578 3.660 . 0 0 "[ . 1]" 1
377 1 11 DT H1' 1 12 DG H8 5.000 3.200 6.800 6.853 6.820 6.891 0.091 2 0 "[ . 1]" 1
378 1 11 DT H2' 1 11 DT H3' 2.585 . 3.360 2.342 2.318 2.393 . 0 0 "[ . 1]" 1
379 1 11 DT H2' 1 11 DT H5' 4.150 2.650 5.650 4.728 3.901 5.087 . 0 0 "[ . 1]" 1
380 1 11 DT H2' 1 11 DT H5'' 4.150 2.650 5.650 4.639 3.737 5.048 . 0 0 "[ . 1]" 1
381 1 11 DT H2' 1 11 DT H6 2.600 . 3.313 3.199 2.691 3.407 0.094 3 0 "[ . 1]" 1
382 1 11 DT H2'' 1 11 DT H3' 2.400 . 3.200 2.907 2.685 3.003 . 0 0 "[ . 1]" 1
383 1 11 DT H2'' 1 11 DT H5' 3.427 . 4.927 5.025 5.000 5.076 0.149 1 0 "[ . 1]" 1
384 1 11 DT H2'' 1 11 DT H5'' 3.700 2.400 5.000 4.816 4.794 4.827 . 0 0 "[ . 1]" 1
385 1 11 DT H2'' 1 11 DT H6 2.800 . 4.200 4.225 4.066 4.285 0.085 3 0 "[ . 1]" 1
386 1 11 DT H3' 1 11 DT H6 3.925 2.748 5.102 3.198 2.707 4.340 0.041 4 0 "[ . 1]" 1
387 1 11 DT H5' 1 11 DT H5'' 2.400 . 3.200 1.775 1.770 1.777 . 0 0 "[ . 1]" 1
388 1 11 DT H5' 1 11 DT H6 4.585 2.985 6.185 2.936 2.909 2.948 0.076 1 0 "[ . 1]" 1
389 1 11 DT H5' 1 11 DT M7 3.709 2.309 5.109 4.150 4.135 4.168 . 0 0 "[ . 1]" 1
390 1 11 DT H5' 1 12 DG H1 5.000 3.200 6.800 5.758 5.705 5.830 . 0 0 "[ . 1]" 1
391 1 11 DT H5' 1 12 DG H4' 4.000 2.200 5.800 5.866 5.856 5.892 0.092 8 0 "[ . 1]" 1
392 1 11 DT H5' 1 12 DG H8 5.000 3.200 6.800 3.833 3.809 3.883 . 0 0 "[ . 1]" 1
393 1 11 DT H5'' 1 11 DT H6 4.585 2.985 6.185 3.875 3.812 3.973 . 0 0 "[ . 1]" 1
394 1 11 DT H5'' 1 12 DG H1 5.000 3.200 6.800 6.685 6.668 6.705 . 0 0 "[ . 1]" 1
395 1 11 DT H5'' 1 12 DG H4' 3.619 2.319 4.919 4.351 4.281 4.391 . 0 0 "[ . 1]" 1
396 1 11 DT H5'' 1 12 DG H8 5.000 3.200 6.800 3.670 3.488 3.789 . 0 0 "[ . 1]" 1
397 1 11 DT H6 1 11 DT M7 2.400 . 3.200 2.308 2.291 2.323 . 0 0 "[ . 1]" 1
398 1 12 DG H1 1 12 DG H21 3.000 2.200 3.800 2.230 2.226 2.235 . 0 0 "[ . 1]" 1
399 1 12 DG H1 1 12 DG H22 3.000 2.200 3.800 3.496 3.494 3.499 . 0 0 "[ . 1]" 1
400 1 12 DG H1 1 17 DG H1 4.000 2.800 5.200 3.208 3.193 3.234 . 0 0 "[ . 1]" 1
401 1 12 DG H1 1 17 DG H2' 5.000 3.200 6.800 5.352 5.311 5.386 . 0 0 "[ . 1]" 1
402 1 12 DG H1 1 17 DG H2'' 5.000 3.200 6.800 6.662 6.644 6.684 . 0 0 "[ . 1]" 1
403 1 12 DG H1 1 18 DG H8 5.000 3.200 6.800 5.340 5.299 5.356 . 0 0 "[ . 1]" 1
404 1 12 DG H1' 1 12 DG H2' 2.400 . 3.098 3.003 2.998 3.006 . 0 0 "[ . 1]" 1
405 1 12 DG H1' 1 12 DG H2'' 2.895 2.026 3.764 2.325 2.321 2.327 . 0 0 "[ . 1]" 1
406 1 12 DG H1' 1 12 DG H3' 4.295 3.007 5.583 3.775 3.767 3.780 . 0 0 "[ . 1]" 1
407 1 12 DG H1' 1 12 DG H5' 4.009 2.509 5.509 4.601 4.336 4.726 . 0 0 "[ . 1]" 1
408 1 12 DG H1' 1 12 DG H5'' 4.009 2.509 5.509 4.502 4.434 4.659 . 0 0 "[ . 1]" 1
409 1 12 DG H1' 1 12 DG H8 2.400 . 3.200 2.375 2.347 2.389 . 0 0 "[ . 1]" 1
410 1 12 DG H1' 1 13 DG H3' 5.000 3.500 6.500 4.453 4.366 4.501 . 0 0 "[ . 1]" 1
411 1 12 DG H1' 1 13 DG H4' 5.000 3.500 6.500 4.232 4.150 4.286 . 0 0 "[ . 1]" 1
412 1 12 DG H1' 1 13 DG H8 5.000 3.500 6.500 3.866 3.821 3.957 . 0 0 "[ . 1]" 1
413 1 12 DG H2' 1 12 DG H2'' 2.400 . 3.200 1.796 1.795 1.796 . 0 0 "[ . 1]" 1
414 1 12 DG H2' 1 12 DG H3' 2.400 . 3.100 2.288 2.281 2.299 . 0 0 "[ . 1]" 1
415 1 12 DG H2' 1 12 DG H4' 3.552 2.486 4.618 3.878 3.865 3.884 . 0 0 "[ . 1]" 1
416 1 12 DG H2' 1 12 DG H5' 5.000 3.200 6.800 4.512 4.393 4.697 . 0 0 "[ . 1]" 1
417 1 12 DG H2' 1 12 DG H5'' 5.000 3.200 6.800 4.128 3.816 4.773 . 0 0 "[ . 1]" 1
418 1 12 DG H2' 1 12 DG H8 3.117 . 4.317 4.392 4.370 4.423 0.106 2 0 "[ . 1]" 1
419 1 12 DG H2' 1 13 DG H8 2.400 . 3.104 2.377 2.251 2.559 . 0 0 "[ . 1]" 1
420 1 12 DG H2'' 1 12 DG H3' 2.400 . 3.101 2.857 2.849 2.871 . 0 0 "[ . 1]" 1
421 1 12 DG H2'' 1 12 DG H4' 2.723 . 3.823 3.565 3.516 3.586 . 0 0 "[ . 1]" 1
422 1 12 DG H2'' 1 12 DG H5' 5.000 3.200 6.800 4.990 4.844 5.299 . 0 0 "[ . 1]" 1
423 1 12 DG H2'' 1 12 DG H5'' 5.000 3.200 6.800 4.885 4.790 5.075 . 0 0 "[ . 1]" 1
424 1 12 DG H2'' 1 12 DG H8 4.123 2.886 5.360 4.023 3.977 4.101 . 0 0 "[ . 1]" 1
425 1 12 DG H2'' 1 13 DG H8 3.009 . 4.309 2.336 2.269 2.422 . 0 0 "[ . 1]" 1
426 1 12 DG H3' 1 12 DG H4' 2.873 2.011 3.735 2.988 2.982 3.004 . 0 0 "[ . 1]" 1
427 1 12 DG H3' 1 12 DG H5' 3.300 2.200 4.400 2.821 2.455 3.596 . 0 0 "[ . 1]" 1
428 1 12 DG H3' 1 12 DG H8 4.210 2.710 5.710 5.851 5.831 5.863 0.153 4 0 "[ . 1]" 1
429 1 12 DG H3' 1 13 DG H8 4.241 2.969 5.513 4.448 4.316 4.614 . 0 0 "[ . 1]" 1
430 1 12 DG H4' 1 12 DG H5' 4.091 2.591 5.591 2.581 2.562 2.590 0.029 1 0 "[ . 1]" 1
431 1 12 DG H4' 1 12 DG H5'' 4.091 2.291 5.891 2.820 2.345 3.028 . 0 0 "[ . 1]" 1
432 1 12 DG H5' 1 12 DG H8 5.000 3.200 6.800 6.526 5.777 6.862 0.062 4 0 "[ . 1]" 1
433 1 12 DG H5'' 1 12 DG H8 4.700 2.900 6.500 6.290 6.152 6.607 0.107 2 0 "[ . 1]" 1
434 1 12 DG H8 1 13 DG H1' 3.686 2.580 4.792 4.100 4.023 4.245 . 0 0 "[ . 1]" 1
435 1 12 DG H8 1 13 DG H3' 4.742 3.042 6.442 5.474 5.412 5.564 . 0 0 "[ . 1]" 1
436 1 12 DG H8 1 13 DG H4' 4.640 3.248 6.032 4.133 4.083 4.224 . 0 0 "[ . 1]" 1
437 1 12 DG H8 1 13 DG H8 3.975 2.783 5.167 4.359 4.275 4.476 . 0 0 "[ . 1]" 1
438 1 13 DG H1 1 13 DG H21 3.000 . 4.000 2.225 2.218 2.234 . 0 0 "[ . 1]" 1
439 1 13 DG H1 1 13 DG H22 3.000 2.200 3.800 3.488 3.485 3.493 . 0 0 "[ . 1]" 1
440 1 13 DG H1 1 14 DT H3 4.000 2.800 5.200 2.757 2.750 2.772 0.050 1 0 "[ . 1]" 1
441 1 13 DG H1 1 15 DT H3 4.000 2.500 5.500 5.416 5.335 5.501 0.001 2 0 "[ . 1]" 1
442 1 13 DG H1 1 17 DG H1 5.000 3.200 6.800 4.543 4.541 4.552 . 0 0 "[ . 1]" 1
443 1 13 DG H1' 1 13 DG H2' 2.400 . 3.200 3.009 3.007 3.010 . 0 0 "[ . 1]" 1
444 1 13 DG H1' 1 13 DG H2'' 2.627 . 3.415 2.334 2.331 2.336 . 0 0 "[ . 1]" 1
445 1 13 DG H1' 1 13 DG H3' 5.000 3.500 6.500 3.776 3.769 3.784 . 0 0 "[ . 1]" 1
446 1 13 DG H1' 1 13 DG H4' 3.027 . 4.327 2.878 2.856 2.888 . 0 0 "[ . 1]" 1
447 1 13 DG H1' 1 13 DG H8 3.769 2.638 4.900 3.769 3.765 3.772 . 0 0 "[ . 1]" 1
448 1 13 DG H1' 1 14 DT M7 3.900 2.400 5.400 4.347 4.325 4.425 . 0 0 "[ . 1]" 1
449 1 13 DG H1' 1 16 DT H6 5.000 3.200 6.800 6.913 6.910 6.915 0.115 3 0 "[ . 1]" 1
450 1 13 DG H1' 1 16 DT M7 4.500 2.700 6.300 4.209 4.200 4.220 . 0 0 "[ . 1]" 1
451 1 13 DG H2' 1 13 DG H2'' 2.400 . 3.200 1.793 1.792 1.793 . 0 0 "[ . 1]" 1
452 1 13 DG H2' 1 13 DG H3' 2.724 . 3.541 2.280 2.279 2.282 . 0 0 "[ . 1]" 1
453 1 13 DG H2' 1 13 DG H4' 4.163 2.914 5.412 3.872 3.871 3.873 . 0 0 "[ . 1]" 1
454 1 13 DG H2' 1 13 DG H8 2.441 . 3.173 1.917 1.902 1.929 . 0 0 "[ . 1]" 1
455 1 13 DG H2' 1 14 DT M7 2.820 . 4.220 3.052 2.995 3.238 . 0 0 "[ . 1]" 1
456 1 13 DG H2'' 1 13 DG H3' 2.400 . 3.098 2.761 2.755 2.767 . 0 0 "[ . 1]" 1
457 1 13 DG H2'' 1 13 DG H4' 4.151 2.906 5.396 3.844 3.831 3.856 . 0 0 "[ . 1]" 1
458 1 13 DG H2'' 1 13 DG H8 2.600 . 3.500 3.227 3.223 3.229 . 0 0 "[ . 1]" 1
459 1 13 DG H2'' 1 14 DT M7 2.820 . 4.120 3.230 3.189 3.367 . 0 0 "[ . 1]" 1
460 1 13 DG H3' 1 13 DG H4' 3.227 2.259 4.195 2.911 2.907 2.915 . 0 0 "[ . 1]" 1
461 1 13 DG H3' 1 13 DG H8 3.533 2.233 4.833 4.074 4.051 4.091 . 0 0 "[ . 1]" 1
462 1 13 DG H3' 1 14 DT M7 4.321 2.521 6.121 4.951 4.921 5.049 . 0 0 "[ . 1]" 1
463 1 13 DG H4' 1 13 DG H8 5.000 3.500 6.500 5.150 5.139 5.159 . 0 0 "[ . 1]" 1
464 1 13 DG H4' 1 16 DT M7 4.600 2.800 6.400 4.483 4.475 4.495 . 0 0 "[ . 1]" 1
465 1 13 DG H8 1 14 DT H2' 3.167 . 4.367 4.458 4.451 4.464 0.097 1 0 "[ . 1]" 1
466 1 13 DG H8 1 14 DT H6 3.667 2.567 4.767 3.960 3.949 3.967 . 0 0 "[ . 1]" 1
467 1 13 DG H8 1 14 DT M7 3.495 2.446 4.544 2.366 2.301 2.393 0.145 3 0 "[ . 1]" 1
468 1 13 DG H8 1 17 DG H1 4.000 2.800 5.200 3.814 3.789 3.834 . 0 0 "[ . 1]" 1
469 1 13 DG H8 1 17 DG H21 3.000 . 4.000 2.050 2.017 2.081 . 0 0 "[ . 1]" 1
470 1 14 DT H1' 1 14 DT H2' 2.400 . 3.200 3.051 3.050 3.052 . 0 0 "[ . 1]" 1
471 1 14 DT H1' 1 14 DT H2'' 2.500 . 3.300 2.491 2.491 2.492 . 0 0 "[ . 1]" 1
472 1 14 DT H1' 1 14 DT H3' 4.210 2.947 5.473 3.575 3.570 3.576 . 0 0 "[ . 1]" 1
473 1 14 DT H1' 1 14 DT H4' 3.000 2.100 3.900 2.870 2.860 2.881 . 0 0 "[ . 1]" 1
474 1 14 DT H1' 1 14 DT H6 2.662 . 3.461 3.304 3.300 3.308 . 0 0 "[ . 1]" 1
475 1 14 DT H2' 1 14 DT H2'' 2.400 . 3.200 1.790 1.790 1.791 . 0 0 "[ . 1]" 1
476 1 14 DT H2' 1 14 DT H3' 2.600 . 3.400 2.451 2.449 2.454 . 0 0 "[ . 1]" 1
477 1 14 DT H2' 1 14 DT H4' 3.789 2.652 4.926 3.719 3.716 3.722 . 0 0 "[ . 1]" 1
478 1 14 DT H2' 1 14 DT H6 2.399 . 3.119 1.960 1.952 1.965 . 0 0 "[ . 1]" 1
479 1 14 DT H2' 1 14 DT M7 3.200 . 4.400 3.580 3.574 3.599 . 0 0 "[ . 1]" 1
480 1 14 DT H2' 1 17 DG H1 5.000 3.200 6.800 6.265 6.249 6.282 . 0 0 "[ . 1]" 1
481 1 14 DT H2' 1 17 DG H21 5.000 3.200 6.800 5.713 5.693 5.724 . 0 0 "[ . 1]" 1
482 1 14 DT H2'' 1 14 DT H3' 2.500 . 3.300 2.680 2.678 2.682 . 0 0 "[ . 1]" 1
483 1 14 DT H2'' 1 14 DT H4' 3.732 2.612 4.852 4.063 4.059 4.068 . 0 0 "[ . 1]" 1
484 1 14 DT H2'' 1 14 DT H6 2.400 . 3.200 1.935 1.930 1.944 . 0 0 "[ . 1]" 1
485 1 14 DT H2'' 1 14 DT M7 4.398 2.898 5.898 3.685 3.594 3.721 . 0 0 "[ . 1]" 1
486 1 14 DT H2'' 1 17 DG H1 5.000 3.200 6.800 6.808 6.795 6.820 0.020 8 0 "[ . 1]" 1
487 1 14 DT H2'' 1 17 DG H21 4.500 2.700 6.300 6.458 6.450 6.463 0.163 4 0 "[ . 1]" 1
488 1 14 DT H3 1 14 DT M7 4.000 2.800 5.200 4.142 4.138 4.154 . 0 0 "[ . 1]" 1
489 1 14 DT H3 1 15 DT H3 4.000 2.800 5.200 3.183 3.140 3.272 . 0 0 "[ . 1]" 1
490 1 14 DT H3 1 15 DT M7 5.000 3.200 6.800 5.184 5.166 5.211 . 0 0 "[ . 1]" 1
491 1 14 DT H3 1 16 DT H3 5.000 3.200 6.800 6.895 6.885 6.904 0.104 4 0 "[ . 1]" 1
492 1 14 DT H3 1 17 DG H1 4.000 2.800 5.200 3.981 3.973 3.999 . 0 0 "[ . 1]" 1
493 1 14 DT H3' 1 14 DT H6 3.626 2.538 4.714 4.126 4.122 4.132 . 0 0 "[ . 1]" 1
494 1 14 DT H4' 1 14 DT H6 3.734 2.334 5.134 5.159 5.157 5.161 0.027 8 0 "[ . 1]" 1
495 1 14 DT H6 1 14 DT M7 2.400 . 3.200 2.175 2.080 2.204 . 0 0 "[ . 1]" 1
496 1 14 DT H6 1 15 DT H1' 3.200 . 5.000 5.125 5.118 5.133 0.133 3 0 "[ . 1]" 1
497 1 14 DT H6 1 15 DT H2' 2.466 . 3.206 2.138 2.130 2.145 . 0 0 "[ . 1]" 1
498 1 14 DT H6 1 15 DT H2'' 2.766 . 3.596 3.615 3.613 3.618 0.022 2 0 "[ . 1]" 1
499 1 14 DT H6 1 15 DT H4' 3.976 2.783 5.169 5.252 5.246 5.254 0.085 10 0 "[ . 1]" 1
500 1 14 DT H6 1 17 DG H1 5.000 3.200 6.800 4.937 4.920 4.953 . 0 0 "[ . 1]" 1
501 1 14 DT M7 1 15 DT H1' 4.474 3.132 5.816 4.127 4.090 4.229 . 0 0 "[ . 1]" 1
502 1 14 DT M7 1 15 DT H2' 3.000 . 4.200 2.257 2.219 2.362 . 0 0 "[ . 1]" 1
503 1 14 DT M7 1 15 DT H2'' 3.000 . 4.200 2.251 2.178 2.531 . 0 0 "[ . 1]" 1
504 1 14 DT M7 1 15 DT H3 5.000 3.200 6.800 5.216 5.178 5.245 . 0 0 "[ . 1]" 1
505 1 14 DT M7 1 15 DT H3' 3.380 . 4.880 3.887 3.875 3.903 . 0 0 "[ . 1]" 1
506 1 14 DT M7 1 15 DT H6 2.903 2.032 3.774 2.501 2.449 2.540 . 0 0 "[ . 1]" 1
507 1 14 DT M7 1 16 DT H1' 4.600 2.800 6.400 2.709 2.666 2.731 0.134 3 0 "[ . 1]" 1
508 1 14 DT M7 1 16 DT H2'' 4.000 2.200 5.800 4.377 4.374 4.384 . 0 0 "[ . 1]" 1
509 1 14 DT M7 1 16 DT H4' 4.100 2.300 5.900 3.957 3.895 3.985 . 0 0 "[ . 1]" 1
510 1 14 DT M7 1 16 DT H5' 4.500 2.900 6.100 4.413 4.402 4.422 . 0 0 "[ . 1]" 1
511 1 14 DT M7 1 16 DT H5'' 4.500 2.900 6.100 4.915 4.897 4.972 . 0 0 "[ . 1]" 1
512 1 14 DT M7 1 16 DT H6 4.500 2.700 6.300 2.828 2.818 2.834 . 0 0 "[ . 1]" 1
513 1 15 DT H1' 1 15 DT H2' 2.400 . 3.200 2.999 2.997 3.001 . 0 0 "[ . 1]" 1
514 1 15 DT H1' 1 15 DT H2'' 3.115 2.180 4.050 2.451 2.449 2.452 . 0 0 "[ . 1]" 1
515 1 15 DT H1' 1 15 DT H4' 3.000 . 4.100 2.750 2.744 2.756 . 0 0 "[ . 1]" 1
516 1 15 DT H1' 1 15 DT H5' 3.497 2.197 4.797 4.241 4.238 4.246 . 0 0 "[ . 1]" 1
517 1 15 DT H1' 1 15 DT H5'' 3.497 2.197 4.797 4.406 4.402 4.412 . 0 0 "[ . 1]" 1
518 1 15 DT H1' 1 15 DT H6 2.983 2.088 3.878 2.851 2.846 2.865 . 0 0 "[ . 1]" 1
519 1 15 DT H1' 1 15 DT M7 4.105 2.873 5.337 4.437 4.434 4.443 . 0 0 "[ . 1]" 1
520 1 15 DT H2' 1 15 DT H2'' 2.400 . 3.200 1.802 1.801 1.803 . 0 0 "[ . 1]" 1
521 1 15 DT H2' 1 15 DT H3' 2.356 . 3.063 2.451 2.450 2.451 . 0 0 "[ . 1]" 1
522 1 15 DT H2' 1 15 DT H4' 3.453 2.417 4.489 3.679 3.676 3.681 . 0 0 "[ . 1]" 1
523 1 15 DT H2' 1 15 DT H5' 3.924 2.524 5.324 2.478 2.476 2.481 0.048 10 0 "[ . 1]" 1
524 1 15 DT H2' 1 15 DT H5'' 3.924 2.524 5.324 3.708 3.699 3.722 . 0 0 "[ . 1]" 1
525 1 15 DT H2' 1 15 DT H6 3.168 2.217 4.119 3.146 3.131 3.159 . 0 0 "[ . 1]" 1
526 1 15 DT H2'' 1 15 DT H3' 2.384 . 3.099 2.657 2.655 2.660 . 0 0 "[ . 1]" 1
527 1 15 DT H2'' 1 15 DT H4' 5.000 3.500 6.500 4.105 4.103 4.108 . 0 0 "[ . 1]" 1
528 1 15 DT H2'' 1 15 DT H6 2.400 . 3.200 2.003 1.991 2.012 . 0 0 "[ . 1]" 1
529 1 15 DT H3 1 15 DT M7 4.000 2.800 5.200 4.153 4.150 4.156 . 0 0 "[ . 1]" 1
530 1 15 DT H3' 1 15 DT H6 5.000 3.500 6.500 4.597 4.587 4.607 . 0 0 "[ . 1]" 1
531 1 15 DT H4' 1 15 DT H6 4.297 3.008 5.586 5.331 5.329 5.334 . 0 0 "[ . 1]" 1
532 1 15 DT H6 1 15 DT M7 2.400 . 3.200 2.328 2.326 2.331 . 0 0 "[ . 1]" 1
533 1 15 DT H6 1 16 DT H3' 5.000 3.500 6.500 4.448 4.435 4.468 . 0 0 "[ . 1]" 1
534 1 15 DT H6 1 16 DT H4' 3.991 2.491 5.491 2.939 2.933 2.948 . 0 0 "[ . 1]" 1
535 1 15 DT M7 1 16 DT H1' 3.809 2.409 5.209 3.067 3.014 3.087 . 0 0 "[ . 1]" 1
536 1 15 DT M7 1 16 DT H3' 3.791 2.191 5.391 4.398 4.393 4.405 . 0 0 "[ . 1]" 1
537 1 16 DT H1' 1 16 DT H2' 2.400 . 3.200 2.919 2.915 2.921 . 0 0 "[ . 1]" 1
538 1 16 DT H1' 1 16 DT H2'' 3.114 2.180 4.048 2.277 2.274 2.279 . 0 0 "[ . 1]" 1
539 1 16 DT H1' 1 16 DT H3' 4.299 3.009 5.589 3.966 3.964 3.969 . 0 0 "[ . 1]" 1
540 1 16 DT H1' 1 16 DT H4' 4.000 2.600 5.400 3.072 3.062 3.095 . 0 0 "[ . 1]" 1
541 1 16 DT H1' 1 16 DT H6 3.349 2.344 4.354 2.352 2.348 2.356 . 0 0 "[ . 1]" 1
542 1 16 DT H1' 1 17 DG H8 5.000 3.200 6.800 6.907 6.903 6.911 0.111 4 0 "[ . 1]" 1
543 1 16 DT H2' 1 16 DT H3' 2.400 . 3.800 2.303 2.301 2.306 . 0 0 "[ . 1]" 1
544 1 16 DT H2' 1 16 DT H4' 4.627 3.239 6.015 3.964 3.962 3.967 . 0 0 "[ . 1]" 1
545 1 16 DT H2' 1 16 DT H5' 3.981 2.481 5.481 5.169 5.165 5.172 . 0 0 "[ . 1]" 1
546 1 16 DT H2' 1 16 DT H5'' 3.981 2.481 5.481 4.306 4.300 4.310 . 0 0 "[ . 1]" 1
547 1 16 DT H2' 1 16 DT H6 2.394 . 3.394 3.493 3.488 3.498 0.104 1 0 "[ . 1]" 1
548 1 16 DT H2'' 1 16 DT H3' 2.400 . 3.800 2.938 2.935 2.941 . 0 0 "[ . 1]" 1
549 1 16 DT H2'' 1 16 DT H4' 4.981 3.487 6.475 3.440 3.437 3.444 0.050 4 0 "[ . 1]" 1
550 1 16 DT H2'' 1 16 DT H5' 4.431 2.831 6.031 5.276 5.274 5.279 . 0 0 "[ . 1]" 1
551 1 16 DT H2'' 1 16 DT H5'' 4.431 2.831 6.031 4.753 4.751 4.756 . 0 0 "[ . 1]" 1
552 1 16 DT H2'' 1 16 DT H6 2.405 . 3.405 3.437 3.432 3.447 0.042 3 0 "[ . 1]" 1
553 1 16 DT H3 1 17 DG H1 5.000 3.200 6.800 6.826 6.818 6.831 0.031 1 0 "[ . 1]" 1
554 1 16 DT H3' 1 16 DT H4' 2.895 2.026 3.764 2.968 2.966 2.969 . 0 0 "[ . 1]" 1
555 1 16 DT H3' 1 16 DT H6 5.000 3.500 6.500 5.429 5.423 5.435 . 0 0 "[ . 1]" 1
556 1 16 DT H4' 1 16 DT H5' 2.500 . 4.100 2.220 2.218 2.224 . 0 0 "[ . 1]" 1
557 1 16 DT H4' 1 16 DT H5'' 2.500 . 4.100 2.733 2.730 2.736 . 0 0 "[ . 1]" 1
558 1 16 DT H4' 1 16 DT H6 4.688 3.282 6.094 5.356 5.347 5.373 . 0 0 "[ . 1]" 1
559 1 16 DT H5' 1 16 DT H6 5.000 3.200 6.800 6.856 6.852 6.858 0.058 2 0 "[ . 1]" 1
560 1 16 DT H5' 1 17 DG H8 5.000 3.200 6.800 6.895 6.891 6.902 0.102 10 0 "[ . 1]" 1
561 1 16 DT H5'' 1 16 DT H6 5.000 3.200 6.800 6.815 6.811 6.818 0.018 4 0 "[ . 1]" 1
562 1 16 DT H6 1 16 DT M7 2.496 . 3.496 2.381 2.381 2.381 . 0 0 "[ . 1]" 1
563 1 17 DG H1 1 17 DG H1' 5.000 3.200 6.800 6.898 6.887 6.902 0.102 8 0 "[ . 1]" 1
564 1 17 DG H1 1 17 DG H21 3.000 . 4.500 2.293 2.285 2.301 . 0 0 "[ . 1]" 1
565 1 17 DG H1 1 17 DG H22 3.000 . 4.500 3.543 3.537 3.552 . 0 0 "[ . 1]" 1
566 1 17 DG H1' 1 17 DG H2' 2.600 . 3.500 2.890 2.882 2.896 . 0 0 "[ . 1]" 1
567 1 17 DG H1' 1 17 DG H2'' 2.733 . 3.553 2.273 2.271 2.274 . 0 0 "[ . 1]" 1
568 1 17 DG H1' 1 17 DG H3' 4.117 2.882 5.352 4.083 4.078 4.087 . 0 0 "[ . 1]" 1
569 1 17 DG H1' 1 17 DG H4' 3.200 2.235 4.165 3.822 3.814 3.833 . 0 0 "[ . 1]" 1
570 1 17 DG H1' 1 17 DG H5' 3.600 2.300 4.900 4.335 4.325 4.351 . 0 0 "[ . 1]" 1
571 1 17 DG H1' 1 17 DG H5'' 3.600 2.300 4.900 3.861 3.839 3.875 . 0 0 "[ . 1]" 1
572 1 17 DG H1' 1 17 DG H8 2.600 . 3.400 2.551 2.547 2.557 . 0 0 "[ . 1]" 1
573 1 17 DG H1' 1 18 DG H8 4.253 2.653 5.853 2.550 2.540 2.567 0.113 8 0 "[ . 1]" 1
574 1 17 DG H2' 1 17 DG H2'' 2.400 . 3.200 1.792 1.791 1.792 . 0 0 "[ . 1]" 1
575 1 17 DG H2' 1 17 DG H3' 3.000 2.100 3.900 2.309 2.305 2.311 . 0 0 "[ . 1]" 1
576 1 17 DG H2' 1 17 DG H4' 4.272 2.990 5.554 4.001 3.994 4.013 . 0 0 "[ . 1]" 1
577 1 17 DG H2' 1 17 DG H5' 3.800 2.600 5.000 2.904 2.876 2.960 . 0 0 "[ . 1]" 1
578 1 17 DG H2' 1 17 DG H5'' 3.800 2.600 5.000 3.688 3.676 3.701 . 0 0 "[ . 1]" 1
579 1 17 DG H2' 1 17 DG H8 3.800 2.300 5.300 4.476 4.461 4.484 . 0 0 "[ . 1]" 1
580 1 17 DG H2' 1 18 DG H8 2.912 2.038 3.786 2.215 2.185 2.238 . 0 0 "[ . 1]" 1
581 1 17 DG H2'' 1 17 DG H3' 3.000 2.100 3.900 2.806 2.802 2.812 . 0 0 "[ . 1]" 1
582 1 17 DG H2'' 1 17 DG H4' 4.447 3.113 5.781 3.936 3.923 3.943 . 0 0 "[ . 1]" 1
583 1 17 DG H2'' 1 17 DG H5' 3.600 2.100 5.100 4.139 4.123 4.171 . 0 0 "[ . 1]" 1
584 1 17 DG H2'' 1 17 DG H5'' 3.600 2.400 4.800 4.597 4.589 4.608 . 0 0 "[ . 1]" 1
585 1 17 DG H2'' 1 17 DG H8 4.543 3.180 5.906 4.612 4.604 4.619 . 0 0 "[ . 1]" 1
586 1 17 DG H2'' 1 18 DG H8 2.600 . 3.500 1.839 1.815 1.864 . 0 0 "[ . 1]" 1
587 1 17 DG H21 1 17 DG H22 3.000 . 4.200 1.751 1.751 1.753 0.049 4 0 "[ . 1]" 1
588 1 17 DG H3' 1 17 DG H4' 3.100 2.100 4.100 2.727 2.722 2.737 . 0 0 "[ . 1]" 1
589 1 17 DG H3' 1 17 DG H5' 3.500 2.400 4.600 2.334 2.327 2.338 0.073 1 0 "[ . 1]" 1
590 1 17 DG H3' 1 17 DG H5'' 3.500 2.400 4.600 3.594 3.583 3.599 . 0 0 "[ . 1]" 1
591 1 17 DG H3' 1 18 DG H8 4.923 3.223 6.623 4.229 4.196 4.252 . 0 0 "[ . 1]" 1
592 1 17 DG H4' 1 17 DG H5' 3.100 2.100 4.100 2.929 2.924 2.932 . 0 0 "[ . 1]" 1
593 1 17 DG H4' 1 17 DG H5'' 3.100 2.100 4.100 2.801 2.795 2.810 . 0 0 "[ . 1]" 1
594 1 17 DG H4' 1 17 DG H8 5.000 3.500 6.500 5.344 5.333 5.362 . 0 0 "[ . 1]" 1
595 1 17 DG H4' 1 18 DG H8 3.800 2.300 5.300 5.426 5.418 5.436 0.136 3 0 "[ . 1]" 1
596 1 17 DG H5' 1 17 DG H8 3.800 2.500 5.100 5.186 5.181 5.191 0.091 3 0 "[ . 1]" 1
597 1 17 DG H5' 1 18 DG H8 4.000 2.200 5.800 4.977 4.956 5.020 . 0 0 "[ . 1]" 1
598 1 17 DG H5'' 1 17 DG H8 4.100 2.500 5.700 4.077 4.050 4.100 . 0 0 "[ . 1]" 1
599 1 17 DG H5'' 1 18 DG H8 3.400 . 5.200 5.273 5.269 5.277 0.077 1 0 "[ . 1]" 1
600 1 17 DG H8 1 18 DG H1 5.000 3.200 6.800 5.722 5.663 5.786 . 0 0 "[ . 1]" 1
601 1 17 DG H8 1 18 DG H1' 4.582 2.982 6.182 3.941 3.868 4.005 . 0 0 "[ . 1]" 1
602 1 17 DG H8 1 18 DG H8 3.999 2.199 5.799 4.128 4.089 4.173 . 0 0 "[ . 1]" 1
603 1 18 DG H1 1 18 DG H22 3.000 2.200 3.800 3.493 3.487 3.503 . 0 0 "[ . 1]" 1
604 1 18 DG H1' 1 18 DG H2' 2.600 . 3.400 3.045 3.044 3.045 . 0 0 "[ . 1]" 1
605 1 18 DG H1' 1 18 DG H2'' 3.133 2.193 4.073 2.382 2.380 2.386 . 0 0 "[ . 1]" 1
606 1 18 DG H1' 1 18 DG H8 4.162 2.913 5.411 3.859 3.855 3.862 . 0 0 "[ . 1]" 1
607 1 18 DG H2' 1 18 DG H2'' 2.400 . 3.200 1.795 1.794 1.797 . 0 0 "[ . 1]" 1
608 1 18 DG H2' 1 18 DG H8 3.065 2.145 3.985 2.127 2.121 2.144 0.024 1 0 "[ . 1]" 1
609 1 18 DG H2'' 1 18 DG H8 2.600 . 3.400 3.466 3.451 3.473 0.073 2 0 "[ . 1]" 1
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