NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
556404 |
2lwh   |
18626 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lwh
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 437
_Distance_constraint_stats_list.Viol_count 23
_Distance_constraint_stats_list.Viol_total 103.861
_Distance_constraint_stats_list.Viol_max 0.636
_Distance_constraint_stats_list.Viol_rms 0.0309
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.4105
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 DG 0.000 0.000 . 0 "[ . 1 ]"
1 2 DG 0.000 0.000 . 0 "[ . 1 ]"
1 3 DA 0.000 0.000 . 0 "[ . 1 ]"
1 4 DT 0.000 0.000 . 0 "[ . 1 ]"
1 5 DA 0.000 0.000 . 0 "[ . 1 ]"
1 6 DT 5.638 0.636 7 7 "[ *-* +* **]"
1 7 DA 5.657 0.636 7 7 "[ *-* +* **]"
1 8 DT 0.000 0.000 . 0 "[ . 1 ]"
1 9 DC 0.000 0.000 . 0 "[ . 1 ]"
1 10 DC 0.000 0.000 . 0 "[ . 1 ]"
2 1 DG 0.000 0.000 . 0 "[ . 1 ]"
2 2 DG 0.000 0.000 . 0 "[ . 1 ]"
2 3 DA 0.000 0.000 . 0 "[ . 1 ]"
2 4 DT 0.000 0.000 . 0 "[ . 1 ]"
2 5 DA 0.000 0.000 . 0 "[ . 1 ]"
2 6 DT 0.000 0.000 . 0 "[ . 1 ]"
2 7 DA 3.785 0.537 5 2 "[ +- 1 ]"
2 8 DT 0.000 0.000 . 0 "[ . 1 ]"
2 9 DC 0.000 0.000 . 0 "[ . 1 ]"
2 10 DC 0.000 0.000 . 0 "[ . 1 ]"
3 1 NT 9.442 0.636 7 8 "[ *-**+* **]"
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 2 10 DC H41 5.500 . 6.000 2.447 2.039 2.924 . 0 0 "[ . 1 ]" 1
2 1 1 DG H1 2 10 DC H42 5.500 . 6.000 4.009 3.624 4.424 . 0 0 "[ . 1 ]" 1
3 1 1 DG H1' 1 1 DG H3' 5.500 . 6.000 3.866 3.764 3.929 . 0 0 "[ . 1 ]" 1
4 1 1 DG H1' 1 1 DG H4' 5.500 . 6.000 3.155 2.678 3.703 . 0 0 "[ . 1 ]" 1
5 1 1 DG H1' 1 1 DG Q5' 6.170 . 6.670 3.968 3.817 4.101 . 0 0 "[ . 1 ]" 1
6 1 1 DG H1' 1 1 DG H8 5.500 . 6.000 3.899 3.874 3.921 . 0 0 "[ . 1 ]" 1
7 1 1 DG H1' 1 2 DG H4' 5.500 . 6.000 4.930 4.491 5.547 . 0 0 "[ . 1 ]" 1
8 1 1 DG H1' 1 2 DG Q5' 6.170 . 6.670 3.140 2.823 3.774 . 0 0 "[ . 1 ]" 1
9 1 1 DG H1' 1 2 DG H8 5.500 . 6.000 4.223 3.167 4.725 . 0 0 "[ . 1 ]" 1
10 1 1 DG H2' 1 1 DG H4' 5.500 . 6.000 3.837 3.779 3.885 . 0 0 "[ . 1 ]" 1
11 1 1 DG H2' 1 1 DG Q5' 6.170 . 6.670 2.994 2.336 4.092 . 0 0 "[ . 1 ]" 1
12 1 1 DG H2' 1 1 DG H8 5.500 . 6.000 2.496 2.146 2.764 . 0 0 "[ . 1 ]" 1
13 1 1 DG H2' 1 2 DG H8 5.500 . 6.000 3.559 2.801 4.087 . 0 0 "[ . 1 ]" 1
14 1 1 DG H2'' 1 1 DG H4' 5.500 . 6.000 3.884 3.606 4.136 . 0 0 "[ . 1 ]" 1
15 1 1 DG H2'' 1 1 DG Q5' 6.170 . 6.670 4.130 3.757 4.608 . 0 0 "[ . 1 ]" 1
16 1 1 DG H2'' 1 1 DG H8 5.500 . 6.000 3.919 3.569 4.187 . 0 0 "[ . 1 ]" 1
17 1 1 DG H2'' 1 2 DG H8 5.500 . 6.000 2.575 2.285 2.858 . 0 0 "[ . 1 ]" 1
18 1 1 DG H3' 1 1 DG Q5' 6.170 . 6.670 2.637 2.429 2.901 . 0 0 "[ . 1 ]" 1
19 1 1 DG H3' 1 1 DG H8 5.500 . 6.000 4.265 4.113 4.566 . 0 0 "[ . 1 ]" 1
20 1 1 DG H3' 1 2 DG H8 5.500 . 6.000 4.923 4.543 5.444 . 0 0 "[ . 1 ]" 1
21 1 1 DG H4' 1 1 DG H8 5.500 . 6.000 4.827 4.523 5.010 . 0 0 "[ . 1 ]" 1
22 1 1 DG Q5' 1 1 DG H8 6.170 . 6.670 3.078 2.094 4.681 . 0 0 "[ . 1 ]" 1
23 1 1 DG N1 2 10 DC N3 3.150 2.740 3.650 2.934 2.881 2.993 . 0 0 "[ . 1 ]" 1
24 1 1 DG N2 2 10 DC O2 3.060 2.660 3.560 2.901 2.794 3.068 . 0 0 "[ . 1 ]" 1
25 1 1 DG O6 2 10 DC N4 3.110 2.710 3.610 2.859 2.817 2.912 . 0 0 "[ . 1 ]" 1
26 1 2 DG H1 1 3 DA H2 5.500 . 6.000 4.049 3.529 4.454 . 0 0 "[ . 1 ]" 1
27 1 2 DG H1 2 8 DT H3 5.500 . 6.000 3.990 3.701 4.223 . 0 0 "[ . 1 ]" 1
28 1 2 DG H1 2 9 DC H41 5.500 . 6.000 2.489 2.323 2.636 . 0 0 "[ . 1 ]" 1
29 1 2 DG H1 2 9 DC H42 5.500 . 6.000 4.054 3.911 4.194 . 0 0 "[ . 1 ]" 1
30 1 2 DG H1 2 9 DC H5 5.500 . 6.000 5.115 5.018 5.211 . 0 0 "[ . 1 ]" 1
31 1 2 DG H1 2 10 DC H5 5.500 . 6.000 5.373 4.810 5.560 . 0 0 "[ . 1 ]" 1
32 1 2 DG H1' 1 2 DG H4' 5.500 . 6.000 3.038 2.710 3.197 . 0 0 "[ . 1 ]" 1
33 1 2 DG H1' 1 2 DG H8 5.500 . 6.000 3.867 3.840 3.882 . 0 0 "[ . 1 ]" 1
34 1 2 DG H1' 1 3 DA H4' 4.940 2.960 5.440 4.374 3.995 4.802 . 0 0 "[ . 1 ]" 1
35 1 2 DG H1' 1 3 DA Q5' 6.170 . 6.670 2.591 2.317 2.933 . 0 0 "[ . 1 ]" 1
36 1 2 DG H1' 1 3 DA H8 3.530 2.120 4.030 2.970 2.800 3.283 . 0 0 "[ . 1 ]" 1
37 1 2 DG H1' 1 4 DT M7 6.610 . 7.110 5.252 5.048 5.511 . 0 0 "[ . 1 ]" 1
38 1 2 DG H2' 1 2 DG H4' 5.500 . 6.000 3.792 3.751 3.827 . 0 0 "[ . 1 ]" 1
39 1 2 DG H2' 1 2 DG H8 5.500 . 6.000 2.185 2.122 2.304 . 0 0 "[ . 1 ]" 1
40 1 2 DG H2' 1 3 DA H8 5.500 . 6.000 3.573 3.325 3.751 . 0 0 "[ . 1 ]" 1
41 1 2 DG H2'' 1 2 DG H4' 5.500 . 6.000 3.900 3.778 3.967 . 0 0 "[ . 1 ]" 1
42 1 2 DG H2'' 1 2 DG H8 5.500 . 6.000 3.517 3.344 3.753 . 0 0 "[ . 1 ]" 1
43 1 2 DG H2'' 1 3 DA Q5' 4.330 2.080 4.830 3.530 3.268 3.719 . 0 0 "[ . 1 ]" 1
44 1 2 DG H2'' 1 3 DA H8 3.200 . 3.700 2.060 1.986 2.162 . 0 0 "[ . 1 ]" 1
45 1 2 DG H2'' 1 4 DT M7 6.610 . 7.110 3.925 3.689 4.156 . 0 0 "[ . 1 ]" 1
46 1 2 DG H3' 1 2 DG H8 5.500 . 6.000 4.277 4.142 4.410 . 0 0 "[ . 1 ]" 1
47 1 2 DG H3' 1 3 DA H8 5.500 . 6.000 4.735 4.664 4.835 . 0 0 "[ . 1 ]" 1
48 1 2 DG H4' 1 2 DG H8 5.500 . 6.000 5.043 4.780 5.233 . 0 0 "[ . 1 ]" 1
49 1 2 DG H4' 1 3 DA Q5' 6.170 . 6.670 3.349 3.041 3.691 . 0 0 "[ . 1 ]" 1
50 1 2 DG H4' 1 3 DA H8 5.340 3.210 5.840 5.423 5.356 5.557 . 0 0 "[ . 1 ]" 1
51 1 2 DG Q5' 1 2 DG H8 6.170 . 6.670 4.361 3.900 4.686 . 0 0 "[ . 1 ]" 1
52 1 2 DG H8 1 3 DA H8 4.570 2.740 5.070 4.635 4.592 4.702 . 0 0 "[ . 1 ]" 1
53 1 3 DA H1' 1 3 DA H2 5.970 3.220 6.470 4.649 4.579 4.712 . 0 0 "[ . 1 ]" 1
54 1 3 DA H1' 1 3 DA H4' 3.740 2.240 4.240 3.212 3.036 3.467 . 0 0 "[ . 1 ]" 1
55 1 3 DA H1' 1 3 DA Q5' 4.700 2.510 5.200 4.214 4.193 4.230 . 0 0 "[ . 1 ]" 1
56 1 3 DA H1' 1 3 DA H8 4.290 2.570 4.790 3.846 3.821 3.889 . 0 0 "[ . 1 ]" 1
57 1 3 DA H1' 1 4 DT H3' 7.330 3.950 7.830 5.644 5.202 5.813 . 0 0 "[ . 1 ]" 1
58 1 3 DA H1' 1 4 DT H4' 5.500 . 6.000 4.781 4.151 5.113 . 0 0 "[ . 1 ]" 1
59 1 3 DA H1' 1 4 DT H6 4.250 2.550 4.750 4.159 3.843 4.267 . 0 0 "[ . 1 ]" 1
60 1 3 DA H1' 1 4 DT M7 5.280 2.640 5.780 4.433 4.415 4.460 . 0 0 "[ . 1 ]" 1
61 1 3 DA H2 2 7 DA H2 4.420 2.650 4.920 4.125 3.994 4.349 . 0 0 "[ . 1 ]" 1
62 1 3 DA H2 2 8 DT H3 5.500 . 6.000 2.762 2.632 2.958 . 0 0 "[ . 1 ]" 1
63 1 3 DA H2 2 9 DC H1' 4.750 2.560 5.250 4.031 3.713 4.445 . 0 0 "[ . 1 ]" 1
64 1 3 DA H2 3 1 NT H161 5.640 2.690 6.140 2.987 2.811 3.183 . 0 0 "[ . 1 ]" 1
65 1 3 DA H2' 1 3 DA H4' 4.270 2.560 4.770 3.809 3.768 3.831 . 0 0 "[ . 1 ]" 1
66 1 3 DA H2' 1 3 DA Q5' 6.170 . 6.670 3.496 3.389 3.652 . 0 0 "[ . 1 ]" 1
67 1 3 DA H2' 1 3 DA H8 3.110 . 3.610 2.301 2.198 2.345 . 0 0 "[ . 1 ]" 1
68 1 3 DA H2' 1 4 DT H6 3.700 2.220 4.200 3.334 3.165 3.540 . 0 0 "[ . 1 ]" 1
69 1 3 DA H2' 1 4 DT M7 4.360 . 4.860 2.619 2.427 2.810 . 0 0 "[ . 1 ]" 1
70 1 3 DA H2'' 1 3 DA H4' 4.220 2.530 4.720 4.046 3.971 4.082 . 0 0 "[ . 1 ]" 1
71 1 3 DA H2'' 1 3 DA Q5' 5.150 2.470 5.650 4.431 4.385 4.502 . 0 0 "[ . 1 ]" 1
72 1 3 DA H2'' 1 3 DA H8 3.610 . 4.110 3.718 3.679 3.745 . 0 0 "[ . 1 ]" 1
73 1 3 DA H2'' 1 4 DT H6 3.450 2.070 3.950 2.370 2.258 2.506 . 0 0 "[ . 1 ]" 1
74 1 3 DA H2'' 1 4 DT M7 4.250 2.120 4.750 3.057 2.986 3.165 . 0 0 "[ . 1 ]" 1
75 1 3 DA H3' 1 4 DT H6 5.500 . 6.000 4.800 4.611 4.949 . 0 0 "[ . 1 ]" 1
76 1 3 DA H4' 1 3 DA H8 4.890 2.940 5.390 4.675 4.571 4.777 . 0 0 "[ . 1 ]" 1
77 1 3 DA H4' 1 4 DT H6 6.880 3.700 7.380 6.398 6.303 6.527 . 0 0 "[ . 1 ]" 1
78 1 3 DA Q5' 1 3 DA H8 4.730 2.530 5.230 3.646 3.342 3.914 . 0 0 "[ . 1 ]" 1
79 1 3 DA H8 1 4 DT H6 4.790 2.870 5.290 4.737 4.506 4.862 . 0 0 "[ . 1 ]" 1
80 1 3 DA H8 1 4 DT M7 3.990 . 4.490 2.702 2.614 2.894 . 0 0 "[ . 1 ]" 1
81 1 4 DT H1' 1 4 DT H4' 4.660 2.510 5.160 2.775 2.670 2.882 . 0 0 "[ . 1 ]" 1
82 1 4 DT H1' 1 4 DT H6 5.470 2.940 5.970 3.665 3.653 3.678 . 0 0 "[ . 1 ]" 1
83 1 4 DT H1' 1 5 DA H8 4.600 2.480 5.100 2.742 2.576 3.014 . 0 0 "[ . 1 ]" 1
84 1 4 DT H2' 1 4 DT H4' 5.500 . 6.000 3.790 3.752 3.810 . 0 0 "[ . 1 ]" 1
85 1 4 DT H2' 1 4 DT H6 2.970 . 3.470 1.968 1.948 1.992 . 0 0 "[ . 1 ]" 1
86 1 4 DT H2' 1 4 DT M7 5.010 2.500 5.510 3.847 3.813 3.873 . 0 0 "[ . 1 ]" 1
87 1 4 DT H2' 1 5 DA H8 3.840 2.300 4.340 3.895 3.866 3.952 . 0 0 "[ . 1 ]" 1
88 1 4 DT H2'' 1 4 DT H6 3.340 . 3.840 3.162 3.019 3.236 . 0 0 "[ . 1 ]" 1
89 1 4 DT H2'' 1 4 DT M7 5.760 2.580 6.260 4.741 4.616 4.807 . 0 0 "[ . 1 ]" 1
90 1 4 DT H2'' 1 5 DA H8 3.440 2.060 3.940 2.195 2.125 2.273 . 0 0 "[ . 1 ]" 1
91 1 4 DT H3 2 7 DA H2 5.500 . 6.000 2.788 2.602 2.932 . 0 0 "[ . 1 ]" 1
92 1 4 DT H3' 1 4 DT H6 3.840 2.300 4.340 4.022 3.953 4.070 . 0 0 "[ . 1 ]" 1
93 1 4 DT H3' 1 5 DA H8 4.440 2.660 4.940 4.101 4.008 4.294 . 0 0 "[ . 1 ]" 1
94 1 4 DT H4' 1 4 DT H6 5.500 . 6.000 4.886 4.816 4.997 . 0 0 "[ . 1 ]" 1
95 1 4 DT H4' 1 5 DA H8 5.500 . 6.000 4.417 4.087 4.884 . 0 0 "[ . 1 ]" 1
96 1 4 DT H6 1 4 DT M7 3.840 . 4.340 2.256 2.223 2.285 . 0 0 "[ . 1 ]" 1
97 1 4 DT H6 1 5 DA H8 5.010 3.000 5.510 5.114 5.048 5.175 . 0 0 "[ . 1 ]" 1
98 1 5 DA H1' 1 5 DA H8 5.110 2.750 5.610 3.908 3.870 3.928 . 0 0 "[ . 1 ]" 1
99 1 5 DA H1' 1 6 DT H6 4.560 2.460 5.060 3.752 2.875 4.027 . 0 0 "[ . 1 ]" 1
100 1 5 DA H1' 1 6 DT M7 5.150 2.580 5.650 4.168 3.621 4.298 . 0 0 "[ . 1 ]" 1
101 1 5 DA H2 3 1 NT HN6 6.170 . 6.670 3.106 2.972 3.235 . 0 0 "[ . 1 ]" 1
102 1 5 DA H2 2 6 DT H3 5.500 . 6.000 2.773 2.684 2.884 . 0 0 "[ . 1 ]" 1
103 1 5 DA H2 2 7 DA H2 3.290 . 3.790 2.723 2.597 2.870 . 0 0 "[ . 1 ]" 1
104 1 5 DA H2 3 1 NT H11 3.030 . 3.530 2.201 2.050 2.490 . 0 0 "[ . 1 ]" 1
105 1 5 DA H2' 1 5 DA H8 3.380 . 3.880 2.573 2.235 2.791 . 0 0 "[ . 1 ]" 1
106 1 5 DA H2' 1 6 DT H6 4.240 2.280 4.740 3.647 3.334 4.254 . 0 0 "[ . 1 ]" 1
107 1 5 DA H2' 1 6 DT M7 4.250 2.130 4.750 2.706 2.535 3.039 . 0 0 "[ . 1 ]" 1
108 1 5 DA H2'' 1 5 DA H8 5.500 . 6.000 3.962 3.311 4.188 . 0 0 "[ . 1 ]" 1
109 1 5 DA H2'' 1 6 DT H6 3.460 2.070 3.960 2.421 2.258 2.535 . 0 0 "[ . 1 ]" 1
110 1 5 DA H2'' 1 6 DT M7 4.110 2.050 4.610 2.803 2.110 3.032 . 0 0 "[ . 1 ]" 1
111 1 5 DA H8 1 6 DT H6 5.230 2.820 5.730 5.276 5.171 5.302 . 0 0 "[ . 1 ]" 1
112 1 5 DA H8 1 6 DT M7 4.160 2.080 4.660 3.148 3.001 3.256 . 0 0 "[ . 1 ]" 1
113 1 6 DT H1' 1 6 DT H3' 4.220 2.270 4.720 3.908 3.872 3.926 . 0 0 "[ . 1 ]" 1
114 1 6 DT H1' 1 6 DT H4' 4.230 2.280 4.730 2.687 2.562 2.832 . 0 0 "[ . 1 ]" 1
115 1 6 DT H1' 1 6 DT H6 4.350 2.610 4.850 3.682 3.664 3.699 . 0 0 "[ . 1 ]" 1
116 1 6 DT H1' 1 7 DA H8 4.200 2.520 4.700 4.234 4.218 4.264 . 0 0 "[ . 1 ]" 1
117 1 6 DT H1' 2 7 DA H2 5.940 2.850 6.440 5.335 5.307 5.386 . 0 0 "[ . 1 ]" 1
118 1 6 DT H1' 3 1 NT H11 4.650 2.480 5.150 2.924 2.838 3.073 . 0 0 "[ . 1 ]" 1
119 1 6 DT H1' 3 1 NT H13 5.410 2.600 5.910 4.146 4.004 4.362 . 0 0 "[ . 1 ]" 1
120 1 6 DT H1' 3 1 NT H5 4.280 2.280 4.780 3.053 2.872 3.229 . 0 0 "[ . 1 ]" 1
121 1 6 DT H1' 3 1 NT HN6 6.170 . 6.670 2.944 2.846 3.177 . 0 0 "[ . 1 ]" 1
122 1 6 DT H2' 1 6 DT H6 3.270 . 3.770 2.464 2.435 2.492 . 0 0 "[ . 1 ]" 1
123 1 6 DT H2' 1 6 DT M7 6.030 2.710 6.530 4.143 4.084 4.188 . 0 0 "[ . 1 ]" 1
124 1 6 DT H2' 1 7 DA H8 3.810 2.290 4.310 2.642 2.566 2.768 . 0 0 "[ . 1 ]" 1
125 1 6 DT H2'' 1 6 DT H6 3.780 2.270 4.280 3.882 3.870 3.894 . 0 0 "[ . 1 ]" 1
126 1 6 DT H2'' 1 7 DA H8 5.500 . 6.000 2.257 2.218 2.295 . 0 0 "[ . 1 ]" 1
127 1 6 DT H3 1 7 DA H2 5.500 . 6.000 4.236 4.102 4.406 . 0 0 "[ . 1 ]" 1
128 1 6 DT H3 2 4 DT H3 5.500 . 6.000 4.180 4.092 4.282 . 0 0 "[ . 1 ]" 1
129 1 6 DT H3 2 5 DA H2 5.500 . 6.000 2.610 2.561 2.688 . 0 0 "[ . 1 ]" 1
130 1 6 DT H3 2 6 DT H3 5.500 . 6.000 3.583 3.455 3.843 . 0 0 "[ . 1 ]" 1
131 1 6 DT H3 3 1 NT H11 5.500 . 6.000 5.356 5.115 5.511 . 0 0 "[ . 1 ]" 1
132 1 6 DT H3 3 1 NT H5 5.500 . 6.000 4.022 3.858 4.246 . 0 0 "[ . 1 ]" 1
133 1 6 DT H3' 1 6 DT Q5' 4.840 2.070 5.340 2.715 2.591 2.892 . 0 0 "[ . 1 ]" 1
134 1 6 DT H3' 1 6 DT H6 4.000 2.400 4.500 3.391 3.208 3.609 . 0 0 "[ . 1 ]" 1
135 1 6 DT H3' 1 7 DA H8 4.590 2.750 5.090 4.267 4.182 4.383 . 0 0 "[ . 1 ]" 1
136 1 6 DT H4' 1 6 DT Q5' 4.020 . 4.520 2.157 2.135 2.170 . 0 0 "[ . 1 ]" 1
137 1 6 DT Q5' 3 1 NT H13 6.800 2.910 7.300 2.397 2.274 2.630 0.636 7 7 "[ *-* +* **]" 1
138 1 6 DT H6 1 6 DT M7 4.040 2.020 4.540 2.277 2.265 2.306 . 0 0 "[ . 1 ]" 1
139 1 6 DT H6 1 7 DA H8 4.840 2.900 5.340 4.888 4.858 4.942 . 0 0 "[ . 1 ]" 1
140 1 7 DA H1' 1 7 DA H3' 5.280 2.840 5.780 3.929 3.900 3.953 . 0 0 "[ . 1 ]" 1
141 1 7 DA H1' 1 7 DA H8 5.300 2.850 5.800 3.835 3.808 3.853 . 0 0 "[ . 1 ]" 1
142 1 7 DA H1' 1 8 DT H6 4.810 2.590 5.310 3.668 3.473 3.921 . 0 0 "[ . 1 ]" 1
143 1 7 DA H1' 1 8 DT M7 5.370 2.410 5.870 4.296 4.146 4.477 . 0 0 "[ . 1 ]" 1
144 1 7 DA H1' 3 1 NT H5 3.990 2.390 4.490 3.077 2.829 3.396 . 0 0 "[ . 1 ]" 1
145 1 7 DA H2 1 8 DT H1' 5.240 3.140 5.740 3.549 3.281 3.676 . 0 0 "[ . 1 ]" 1
146 1 7 DA H2 1 8 DT H3 5.500 . 6.000 3.790 3.685 3.889 . 0 0 "[ . 1 ]" 1
147 1 7 DA H2 2 3 DA H2 4.590 2.750 5.090 4.316 4.222 4.446 . 0 0 "[ . 1 ]" 1
148 1 7 DA H2 2 4 DT H1' 6.340 3.800 6.840 5.312 5.112 5.478 . 0 0 "[ . 1 ]" 1
149 1 7 DA H2 2 4 DT H3 5.500 . 6.000 2.680 2.567 2.803 . 0 0 "[ . 1 ]" 1
150 1 7 DA H2 2 5 DA H1' 6.110 3.670 6.610 4.521 4.212 4.773 . 0 0 "[ . 1 ]" 1
151 1 7 DA H2 2 5 DA H2 3.870 2.320 4.370 2.817 2.713 2.932 . 0 0 "[ . 1 ]" 1
152 1 7 DA H2 3 1 NT H21 3.840 2.050 4.340 2.114 2.032 2.161 0.018 6 0 "[ . 1 ]" 1
153 1 7 DA H2 3 1 NT H5 3.930 2.360 4.430 3.956 3.850 3.991 . 0 0 "[ . 1 ]" 1
154 1 7 DA H2' 1 7 DA H8 5.500 . 6.000 2.232 2.206 2.260 . 0 0 "[ . 1 ]" 1
155 1 7 DA H2' 1 8 DT H6 5.500 . 6.000 3.259 3.090 3.450 . 0 0 "[ . 1 ]" 1
156 1 7 DA H2' 1 8 DT M7 4.290 2.140 4.790 2.539 2.393 2.628 . 0 0 "[ . 1 ]" 1
157 1 7 DA H2'' 1 7 DA H8 3.560 2.140 4.060 3.706 3.681 3.727 . 0 0 "[ . 1 ]" 1
158 1 7 DA H2'' 1 8 DT H6 3.360 2.020 3.860 2.116 2.063 2.216 . 0 0 "[ . 1 ]" 1
159 1 7 DA H2'' 1 8 DT M7 4.410 2.200 4.910 2.800 2.510 3.052 . 0 0 "[ . 1 ]" 1
160 1 7 DA H3' 1 7 DA H8 4.180 2.510 4.680 3.947 3.837 4.053 . 0 0 "[ . 1 ]" 1
161 1 7 DA H3' 1 8 DT H6 4.610 2.760 5.110 4.671 4.643 4.703 . 0 0 "[ . 1 ]" 1
162 1 7 DA H3' 1 8 DT M7 5.620 2.520 6.120 4.122 4.006 4.274 . 0 0 "[ . 1 ]" 1
163 1 7 DA H3' 3 1 NT H13 5.770 3.080 6.270 5.066 4.971 5.162 . 0 0 "[ . 1 ]" 1
164 1 7 DA H8 1 8 DT H6 5.140 3.080 5.640 4.785 4.497 4.986 . 0 0 "[ . 1 ]" 1
165 1 7 DA H8 1 8 DT M7 4.470 2.230 4.970 2.973 2.672 3.176 . 0 0 "[ . 1 ]" 1
166 1 8 DT H1' 1 8 DT H3' 4.130 2.480 4.630 3.866 3.833 3.888 . 0 0 "[ . 1 ]" 1
167 1 8 DT H1' 1 8 DT H6 4.400 2.640 4.900 3.722 3.711 3.737 . 0 0 "[ . 1 ]" 1
168 1 8 DT H1' 1 9 DC H4' 5.500 . 6.000 5.383 5.218 5.532 . 0 0 "[ . 1 ]" 1
169 1 8 DT H1' 1 9 DC H6 3.960 2.370 4.460 4.047 4.002 4.079 . 0 0 "[ . 1 ]" 1
170 1 8 DT H1' 3 1 NT H5 5.280 2.840 5.780 5.367 5.321 5.401 . 0 0 "[ . 1 ]" 1
171 1 8 DT H2' 1 8 DT H6 3.060 . 3.560 2.700 2.580 2.806 . 0 0 "[ . 1 ]" 1
172 1 8 DT H2' 1 8 DT M7 5.320 2.660 5.820 4.325 4.277 4.389 . 0 0 "[ . 1 ]" 1
173 1 8 DT H2' 1 9 DC H5 3.700 2.220 4.200 2.616 2.356 2.724 . 0 0 "[ . 1 ]" 1
174 1 8 DT H2' 1 9 DC H6 3.600 2.160 4.100 2.647 2.452 2.884 . 0 0 "[ . 1 ]" 1
175 1 8 DT H2'' 1 8 DT H6 5.500 . 6.000 4.085 3.988 4.164 . 0 0 "[ . 1 ]" 1
176 1 8 DT H2'' 1 9 DC H5 3.660 2.190 4.160 3.581 3.398 3.670 . 0 0 "[ . 1 ]" 1
177 1 8 DT H2'' 1 9 DC H6 3.460 2.070 3.960 2.188 2.125 2.264 . 0 0 "[ . 1 ]" 1
178 1 8 DT H3 1 9 DC H41 5.500 . 6.000 4.305 3.652 4.564 . 0 0 "[ . 1 ]" 1
179 1 8 DT H3 1 9 DC H42 5.500 . 6.000 3.697 3.470 4.318 . 0 0 "[ . 1 ]" 1
180 1 8 DT H3 1 9 DC H5 5.500 . 6.000 4.895 4.760 5.016 . 0 0 "[ . 1 ]" 1
181 1 8 DT H3 2 2 DG H1 5.500 . 6.000 3.782 3.609 3.902 . 0 0 "[ . 1 ]" 1
182 1 8 DT H3 2 3 DA H2 5.500 . 6.000 2.754 2.634 2.853 . 0 0 "[ . 1 ]" 1
183 1 8 DT H3' 1 8 DT H6 3.830 2.300 4.330 3.713 3.458 3.894 . 0 0 "[ . 1 ]" 1
184 1 8 DT H3' 1 8 DT M7 6.640 2.980 7.140 5.319 5.073 5.499 . 0 0 "[ . 1 ]" 1
185 1 8 DT H3' 1 9 DC H5 4.810 2.890 5.310 4.695 4.328 4.832 . 0 0 "[ . 1 ]" 1
186 1 8 DT H3' 1 9 DC H6 4.460 2.670 4.960 4.355 4.227 4.468 . 0 0 "[ . 1 ]" 1
187 1 8 DT H6 1 8 DT M7 4.080 2.040 4.580 2.257 2.225 2.279 . 0 0 "[ . 1 ]" 1
188 1 8 DT H6 1 9 DC H5 4.420 2.650 4.920 3.784 3.581 3.982 . 0 0 "[ . 1 ]" 1
189 1 8 DT H6 1 9 DC H6 5.020 3.010 5.520 4.987 4.876 5.048 . 0 0 "[ . 1 ]" 1
190 1 8 DT M7 1 9 DC H5 5.810 2.910 6.310 4.066 3.915 4.265 . 0 0 "[ . 1 ]" 1
191 1 9 DC H1' 1 9 DC H3' 4.290 2.570 4.790 3.978 3.951 4.011 . 0 0 "[ . 1 ]" 1
192 1 9 DC H1' 1 9 DC H4' 3.220 . 3.720 2.877 2.755 3.032 . 0 0 "[ . 1 ]" 1
193 1 9 DC H1' 1 9 DC H6 4.070 2.440 4.570 3.619 3.603 3.638 . 0 0 "[ . 1 ]" 1
194 1 9 DC H1' 1 10 DC H4' 5.500 . 6.000 5.385 4.851 5.563 . 0 0 "[ . 1 ]" 1
195 1 9 DC H1' 1 10 DC H6 4.620 2.490 5.120 4.336 4.044 4.602 . 0 0 "[ . 1 ]" 1
196 1 9 DC H1' 2 3 DA H2 4.480 2.690 4.980 4.020 3.798 4.265 . 0 0 "[ . 1 ]" 1
197 1 9 DC H2' 1 9 DC H5 3.990 2.150 4.490 4.053 4.032 4.080 . 0 0 "[ . 1 ]" 1
198 1 9 DC H2' 1 9 DC H6 2.990 . 3.490 2.312 2.250 2.361 . 0 0 "[ . 1 ]" 1
199 1 9 DC H2'' 1 9 DC H4' 3.300 . 3.800 3.358 3.103 3.440 . 0 0 "[ . 1 ]" 1
200 1 9 DC H2'' 1 9 DC H6 3.520 2.110 4.020 3.716 3.687 3.742 . 0 0 "[ . 1 ]" 1
201 1 9 DC H2'' 1 10 DC H1' 6.410 3.450 6.910 4.467 4.340 4.651 . 0 0 "[ . 1 ]" 1
202 1 9 DC H2'' 1 10 DC H5 4.080 2.450 4.580 3.932 3.565 4.105 . 0 0 "[ . 1 ]" 1
203 1 9 DC H3' 1 9 DC H5 5.360 3.220 5.860 5.322 4.819 5.447 . 0 0 "[ . 1 ]" 1
204 1 9 DC H3' 1 9 DC H6 3.560 2.130 4.060 3.082 2.549 3.243 . 0 0 "[ . 1 ]" 1
205 1 9 DC H3' 1 10 DC H5 4.960 2.980 5.460 4.537 4.340 4.861 . 0 0 "[ . 1 ]" 1
206 1 9 DC H3' 1 10 DC H6 4.210 2.270 4.710 4.159 3.978 4.235 . 0 0 "[ . 1 ]" 1
207 1 9 DC H4' 1 9 DC H6 4.080 2.200 4.580 4.181 4.132 4.221 . 0 0 "[ . 1 ]" 1
208 1 9 DC H41 1 9 DC H5 5.500 . 6.000 2.505 2.344 3.683 . 0 0 "[ . 1 ]" 1
209 1 9 DC H41 2 2 DG H1 5.500 . 6.000 3.798 2.672 4.144 . 0 0 "[ . 1 ]" 1
210 1 9 DC H42 1 9 DC H5 5.500 . 6.000 3.555 2.442 3.690 . 0 0 "[ . 1 ]" 1
211 1 9 DC H42 2 2 DG H1 5.500 . 6.000 2.528 2.150 4.228 . 0 0 "[ . 1 ]" 1
212 1 9 DC H5 2 2 DG H1 5.500 . 6.000 5.017 4.863 5.177 . 0 0 "[ . 1 ]" 1
213 1 9 DC H6 1 10 DC H5 4.120 2.220 4.620 3.759 3.449 4.049 . 0 0 "[ . 1 ]" 1
214 1 10 DC H1' 1 10 DC H3' 4.110 2.210 4.610 3.878 3.787 3.962 . 0 0 "[ . 1 ]" 1
215 1 10 DC H1' 1 10 DC H4' 5.500 . 6.000 3.049 2.793 3.259 . 0 0 "[ . 1 ]" 1
216 1 10 DC H1' 1 10 DC H6 3.970 2.140 4.470 3.713 3.690 3.733 . 0 0 "[ . 1 ]" 1
217 1 10 DC Q2' 1 10 DC H4' 6.170 . 6.670 2.839 2.583 3.212 . 0 0 "[ . 1 ]" 1
218 1 10 DC Q2' 1 10 DC H6 6.170 . 6.670 3.061 2.692 3.279 . 0 0 "[ . 1 ]" 1
219 1 10 DC H3' 1 10 DC H5 5.480 2.950 5.980 4.880 4.386 5.522 . 0 0 "[ . 1 ]" 1
220 1 10 DC H3' 1 10 DC H6 5.500 . 6.000 2.691 2.243 3.262 . 0 0 "[ . 1 ]" 1
221 1 10 DC H4' 1 10 DC H6 5.500 . 6.000 4.223 4.063 4.395 . 0 0 "[ . 1 ]" 1
222 1 10 DC H41 1 10 DC H5 5.500 . 6.000 3.655 3.636 3.677 . 0 0 "[ . 1 ]" 1
223 1 10 DC H41 2 1 DG H1 5.500 . 6.000 2.377 2.224 2.635 . 0 0 "[ . 1 ]" 1
224 1 10 DC H42 1 10 DC H5 5.500 . 6.000 2.393 2.359 2.446 . 0 0 "[ . 1 ]" 1
225 1 10 DC H42 2 1 DG H1 5.500 . 6.000 3.949 3.811 4.202 . 0 0 "[ . 1 ]" 1
226 1 10 DC H5 2 1 DG H1 5.500 . 6.000 5.031 4.954 5.187 . 0 0 "[ . 1 ]" 1
227 1 10 DC H5 2 2 DG H1 5.500 . 6.000 5.512 5.410 5.563 . 0 0 "[ . 1 ]" 1
228 1 10 DC N3 2 1 DG N1 3.150 2.740 3.650 2.933 2.878 2.976 . 0 0 "[ . 1 ]" 1
229 1 10 DC N4 2 1 DG O6 3.110 2.710 3.610 2.893 2.779 3.116 . 0 0 "[ . 1 ]" 1
230 1 10 DC O2 2 1 DG N2 3.060 2.660 3.560 2.861 2.782 2.937 . 0 0 "[ . 1 ]" 1
231 2 1 DG H1' 2 1 DG H3' 5.500 . 6.000 3.892 3.807 3.961 . 0 0 "[ . 1 ]" 1
232 2 1 DG H1' 2 1 DG H4' 5.500 . 6.000 3.250 2.628 3.688 . 0 0 "[ . 1 ]" 1
233 2 1 DG H1' 2 1 DG Q5' 6.170 . 6.670 3.942 3.834 4.138 . 0 0 "[ . 1 ]" 1
234 2 1 DG H1' 2 1 DG H8 5.500 . 6.000 3.901 3.868 3.930 . 0 0 "[ . 1 ]" 1
235 2 1 DG H1' 2 2 DG H4' 5.500 . 6.000 5.046 4.017 5.549 . 0 0 "[ . 1 ]" 1
236 2 1 DG H1' 2 2 DG Q5' 6.170 . 6.670 3.268 2.692 3.771 . 0 0 "[ . 1 ]" 1
237 2 1 DG H1' 2 2 DG H8 5.500 . 6.000 4.176 3.508 4.807 . 0 0 "[ . 1 ]" 1
238 2 1 DG H2' 2 1 DG H4' 5.500 . 6.000 3.861 3.811 3.897 . 0 0 "[ . 1 ]" 1
239 2 1 DG H2' 2 1 DG Q5' 6.170 . 6.670 2.922 2.289 4.296 . 0 0 "[ . 1 ]" 1
240 2 1 DG H2' 2 1 DG H8 5.500 . 6.000 2.542 2.181 3.015 . 0 0 "[ . 1 ]" 1
241 2 1 DG H2' 2 2 DG H8 5.500 . 6.000 3.498 2.889 4.401 . 0 0 "[ . 1 ]" 1
242 2 1 DG H2'' 2 1 DG H4' 5.500 . 6.000 3.918 3.472 4.150 . 0 0 "[ . 1 ]" 1
243 2 1 DG H2'' 2 1 DG Q5' 6.170 . 6.670 4.063 3.739 4.562 . 0 0 "[ . 1 ]" 1
244 2 1 DG H2'' 2 1 DG H8 5.500 . 6.000 3.984 3.654 4.370 . 0 0 "[ . 1 ]" 1
245 2 1 DG H2'' 2 2 DG H8 5.500 . 6.000 2.534 2.216 2.847 . 0 0 "[ . 1 ]" 1
246 2 1 DG H3' 2 1 DG Q5' 6.170 . 6.670 2.623 2.345 2.829 . 0 0 "[ . 1 ]" 1
247 2 1 DG H3' 2 1 DG H8 5.500 . 6.000 4.234 4.017 4.437 . 0 0 "[ . 1 ]" 1
248 2 1 DG H3' 2 2 DG H8 5.500 . 6.000 4.870 4.564 5.272 . 0 0 "[ . 1 ]" 1
249 2 1 DG H4' 2 1 DG H8 5.500 . 6.000 4.759 4.456 5.001 . 0 0 "[ . 1 ]" 1
250 2 1 DG Q5' 2 1 DG H8 6.170 . 6.670 2.891 2.046 4.297 . 0 0 "[ . 1 ]" 1
251 2 2 DG H1 2 3 DA H2 5.500 . 6.000 3.829 3.638 4.014 . 0 0 "[ . 1 ]" 1
252 2 2 DG H1' 2 2 DG H4' 5.500 . 6.000 3.186 2.982 3.491 . 0 0 "[ . 1 ]" 1
253 2 2 DG H1' 2 2 DG H8 5.500 . 6.000 3.858 3.833 3.886 . 0 0 "[ . 1 ]" 1
254 2 2 DG H1' 2 3 DA H4' 4.760 2.850 5.260 4.281 3.848 4.554 . 0 0 "[ . 1 ]" 1
255 2 2 DG H1' 2 3 DA Q5' 6.170 . 6.670 2.355 2.160 2.757 . 0 0 "[ . 1 ]" 1
256 2 2 DG H1' 2 3 DA H8 3.580 2.150 4.080 3.055 2.844 3.204 . 0 0 "[ . 1 ]" 1
257 2 2 DG H1' 2 4 DT M7 6.610 . 7.110 5.465 5.169 5.544 . 0 0 "[ . 1 ]" 1
258 2 2 DG H2' 2 2 DG H4' 5.500 . 6.000 3.803 3.772 3.847 . 0 0 "[ . 1 ]" 1
259 2 2 DG H2' 2 2 DG H8 5.500 . 6.000 2.156 2.119 2.187 . 0 0 "[ . 1 ]" 1
260 2 2 DG H2' 2 3 DA H8 5.500 . 6.000 3.776 3.563 4.142 . 0 0 "[ . 1 ]" 1
261 2 2 DG H2'' 2 2 DG H4' 5.500 . 6.000 3.974 3.878 4.047 . 0 0 "[ . 1 ]" 1
262 2 2 DG H2'' 2 2 DG H8 5.500 . 6.000 3.462 3.187 3.609 . 0 0 "[ . 1 ]" 1
263 2 2 DG H2'' 2 3 DA Q5' 6.170 . 6.670 3.499 3.216 3.790 . 0 0 "[ . 1 ]" 1
264 2 2 DG H2'' 2 3 DA H8 3.420 . 3.920 2.194 2.046 2.449 . 0 0 "[ . 1 ]" 1
265 2 2 DG H2'' 2 4 DT M7 6.610 . 7.110 4.363 4.202 4.473 . 0 0 "[ . 1 ]" 1
266 2 2 DG H3' 2 2 DG H8 5.500 . 6.000 4.287 4.087 4.432 . 0 0 "[ . 1 ]" 1
267 2 2 DG H3' 2 3 DA H8 5.500 . 6.000 4.831 4.701 4.990 . 0 0 "[ . 1 ]" 1
268 2 2 DG H4' 2 2 DG H8 5.500 . 6.000 5.085 4.858 5.281 . 0 0 "[ . 1 ]" 1
269 2 2 DG H4' 2 3 DA Q5' 6.170 . 6.670 3.299 2.900 3.627 . 0 0 "[ . 1 ]" 1
270 2 2 DG H4' 2 3 DA H8 5.590 3.350 6.090 5.617 5.539 5.669 . 0 0 "[ . 1 ]" 1
271 2 2 DG Q5' 2 2 DG H8 6.170 . 6.670 4.314 3.740 4.777 . 0 0 "[ . 1 ]" 1
272 2 2 DG H8 2 3 DA H8 4.760 2.860 5.260 4.820 4.766 4.852 . 0 0 "[ . 1 ]" 1
273 2 3 DA H1' 2 3 DA H3' 5.500 . 6.000 3.932 3.896 3.987 . 0 0 "[ . 1 ]" 1
274 2 3 DA H1' 2 3 DA H4' 3.680 2.210 4.180 3.435 3.228 3.622 . 0 0 "[ . 1 ]" 1
275 2 3 DA H1' 2 3 DA Q5' 6.170 . 6.670 4.310 4.286 4.329 . 0 0 "[ . 1 ]" 1
276 2 3 DA H1' 2 3 DA H8 4.220 2.530 4.720 3.851 3.817 3.875 . 0 0 "[ . 1 ]" 1
277 2 3 DA H1' 2 4 DT H3' 5.750 3.450 6.250 4.965 4.744 5.117 . 0 0 "[ . 1 ]" 1
278 2 3 DA H1' 2 4 DT H4' 3.860 2.080 4.360 3.892 3.854 3.922 . 0 0 "[ . 1 ]" 1
279 2 3 DA H1' 2 4 DT H6 4.040 2.430 4.540 3.709 3.496 3.905 . 0 0 "[ . 1 ]" 1
280 2 3 DA H1' 2 4 DT M7 5.160 2.580 5.660 4.276 4.134 4.326 . 0 0 "[ . 1 ]" 1
281 2 3 DA H2 2 4 DT H1' 5.590 3.010 6.090 3.940 3.650 4.258 . 0 0 "[ . 1 ]" 1
282 2 3 DA H2 2 4 DT H3 5.500 . 6.000 3.676 3.481 3.880 . 0 0 "[ . 1 ]" 1
283 2 3 DA H2 3 1 NT H21 5.040 2.420 5.070 4.091 4.035 4.126 . 0 0 "[ . 1 ]" 1
284 2 3 DA H2' 2 3 DA H4' 4.040 2.420 4.540 3.841 3.806 3.884 . 0 0 "[ . 1 ]" 1
285 2 3 DA H2' 2 3 DA Q5' 6.170 . 6.670 3.538 3.465 3.612 . 0 0 "[ . 1 ]" 1
286 2 3 DA H2' 2 3 DA H8 3.290 . 3.790 2.182 2.130 2.244 . 0 0 "[ . 1 ]" 1
287 2 3 DA H2' 2 4 DT H6 3.560 2.140 4.060 3.569 3.494 3.605 . 0 0 "[ . 1 ]" 1
288 2 3 DA H2' 2 4 DT M7 4.070 . 4.570 2.846 2.634 2.995 . 0 0 "[ . 1 ]" 1
289 2 3 DA H2'' 2 3 DA H4' 4.240 2.550 4.740 4.045 3.992 4.086 . 0 0 "[ . 1 ]" 1
290 2 3 DA H2'' 2 3 DA Q5' 6.170 . 6.670 4.444 4.412 4.478 . 0 0 "[ . 1 ]" 1
291 2 3 DA H2'' 2 3 DA H8 3.530 2.120 4.030 3.651 3.628 3.682 . 0 0 "[ . 1 ]" 1
292 2 3 DA H2'' 2 4 DT H6 3.370 2.020 3.870 2.520 2.332 2.617 . 0 0 "[ . 1 ]" 1
293 2 3 DA H2'' 2 4 DT M7 4.230 2.110 4.730 3.068 2.839 3.248 . 0 0 "[ . 1 ]" 1
294 2 3 DA H3' 2 3 DA H8 5.500 . 6.000 4.037 3.856 4.148 . 0 0 "[ . 1 ]" 1
295 2 3 DA H3' 2 4 DT H6 5.500 . 6.000 5.180 5.018 5.266 . 0 0 "[ . 1 ]" 1
296 2 3 DA H4' 2 3 DA H8 5.050 3.030 5.550 4.697 4.597 4.762 . 0 0 "[ . 1 ]" 1
297 2 3 DA H4' 2 4 DT H6 6.770 4.060 7.270 6.439 6.256 6.554 . 0 0 "[ . 1 ]" 1
298 2 3 DA Q5' 2 3 DA H8 4.700 2.510 5.200 3.601 3.421 3.790 . 0 0 "[ . 1 ]" 1
299 2 3 DA H8 2 4 DT H6 4.730 2.840 5.230 4.742 4.624 4.805 . 0 0 "[ . 1 ]" 1
300 2 3 DA H8 2 4 DT M7 4.100 2.050 4.600 2.894 2.799 3.040 . 0 0 "[ . 1 ]" 1
301 2 4 DT H1' 2 4 DT H3' 4.190 2.520 4.690 3.841 3.800 3.880 . 0 0 "[ . 1 ]" 1
302 2 4 DT H1' 2 4 DT H4' 3.530 2.120 4.030 2.585 2.489 2.719 . 0 0 "[ . 1 ]" 1
303 2 4 DT H1' 2 4 DT H6 4.430 2.660 4.930 3.676 3.653 3.693 . 0 0 "[ . 1 ]" 1
304 2 4 DT H1' 2 5 DA H8 3.950 2.370 4.450 3.873 3.718 3.993 . 0 0 "[ . 1 ]" 1
305 2 4 DT H1' 3 1 NT H21 5.560 2.670 6.060 4.231 3.921 4.426 . 0 0 "[ . 1 ]" 1
306 2 4 DT H2' 2 4 DT H4' 3.870 2.320 4.370 3.805 3.763 3.827 . 0 0 "[ . 1 ]" 1
307 2 4 DT H2' 2 4 DT H6 2.970 . 3.470 2.129 2.079 2.164 . 0 0 "[ . 1 ]" 1
308 2 4 DT H2' 2 4 DT M7 5.240 2.350 5.740 3.942 3.877 3.996 . 0 0 "[ . 1 ]" 1
309 2 4 DT H2' 2 5 DA H8 4.080 2.200 4.580 3.239 2.728 3.458 . 0 0 "[ . 1 ]" 1
310 2 4 DT H2'' 2 4 DT H6 3.410 2.050 3.910 3.553 3.492 3.617 . 0 0 "[ . 1 ]" 1
311 2 4 DT H2'' 2 4 DT M7 6.330 2.840 6.830 5.133 5.074 5.236 . 0 0 "[ . 1 ]" 1
312 2 4 DT H2'' 2 5 DA H8 3.440 . 3.940 2.062 2.015 2.121 . 0 0 "[ . 1 ]" 1
313 2 4 DT H3' 2 4 DT H6 3.760 2.250 4.260 3.726 3.559 3.828 . 0 0 "[ . 1 ]" 1
314 2 4 DT H3' 2 5 DA H8 4.740 2.550 5.240 4.583 4.299 4.755 . 0 0 "[ . 1 ]" 1
315 2 4 DT H4' 2 4 DT H6 4.590 2.750 5.090 4.583 4.538 4.616 . 0 0 "[ . 1 ]" 1
316 2 4 DT H4' 2 5 DA H8 5.500 . 6.000 5.522 5.349 5.606 . 0 0 "[ . 1 ]" 1
317 2 4 DT H6 2 4 DT M7 3.780 . 4.280 2.261 2.231 2.300 . 0 0 "[ . 1 ]" 1
318 2 4 DT H6 2 5 DA H8 4.850 2.910 5.350 4.840 4.441 4.991 . 0 0 "[ . 1 ]" 1
319 2 5 DA H1' 2 5 DA H8 4.480 2.690 4.980 3.892 3.865 3.921 . 0 0 "[ . 1 ]" 1
320 2 5 DA H1' 2 6 DT H4' 5.500 . 6.000 3.946 3.661 4.297 . 0 0 "[ . 1 ]" 1
321 2 5 DA H1' 2 6 DT H6 4.970 2.680 5.470 3.355 3.114 3.629 . 0 0 "[ . 1 ]" 1
322 2 5 DA H1' 2 6 DT M7 5.570 2.780 6.070 4.024 3.762 4.356 . 0 0 "[ . 1 ]" 1
323 2 5 DA H2 3 1 NT H5 2.970 . 3.470 2.224 2.089 2.421 . 0 0 "[ . 1 ]" 1
324 2 5 DA H2' 2 5 DA H8 3.260 . 3.760 2.357 2.235 2.497 . 0 0 "[ . 1 ]" 1
325 2 5 DA H2' 2 6 DT H6 4.320 2.330 4.820 3.543 3.311 3.658 . 0 0 "[ . 1 ]" 1
326 2 5 DA H2' 2 6 DT M7 4.430 2.210 4.930 2.683 2.502 2.978 . 0 0 "[ . 1 ]" 1
327 2 5 DA H2'' 2 5 DA H8 5.500 . 6.000 3.849 3.737 3.955 . 0 0 "[ . 1 ]" 1
328 2 5 DA H2'' 2 6 DT H6 3.570 2.140 4.070 2.301 2.200 2.380 . 0 0 "[ . 1 ]" 1
329 2 5 DA H2'' 2 6 DT M7 4.240 2.120 4.740 2.749 2.372 3.106 . 0 0 "[ . 1 ]" 1
330 2 5 DA H3' 2 5 DA H8 5.500 . 6.000 4.082 3.909 4.163 . 0 0 "[ . 1 ]" 1
331 2 5 DA H3' 2 6 DT H6 5.500 . 6.000 5.026 4.884 5.155 . 0 0 "[ . 1 ]" 1
332 2 5 DA H8 2 6 DT H6 5.030 3.020 5.530 5.023 4.872 5.096 . 0 0 "[ . 1 ]" 1
333 2 5 DA H8 2 6 DT M7 4.380 2.190 4.880 3.101 2.861 3.562 . 0 0 "[ . 1 ]" 1
334 2 6 DT H1' 2 6 DT H3' 4.240 2.540 4.740 3.906 3.882 3.924 . 0 0 "[ . 1 ]" 1
335 2 6 DT H1' 2 6 DT H4' 4.060 2.190 4.560 2.743 2.642 2.893 . 0 0 "[ . 1 ]" 1
336 2 6 DT H1' 2 6 DT Q5' 6.930 . 7.430 3.139 2.975 3.261 . 0 0 "[ . 1 ]" 1
337 2 6 DT H1' 2 6 DT H6 4.730 2.840 5.230 3.693 3.657 3.724 . 0 0 "[ . 1 ]" 1
338 2 6 DT H1' 2 7 DA H4' 5.500 . 6.000 4.353 4.106 4.626 . 0 0 "[ . 1 ]" 1
339 2 6 DT H1' 2 7 DA H8 4.180 2.510 4.680 4.101 3.952 4.201 . 0 0 "[ . 1 ]" 1
340 2 6 DT H2' 2 6 DT H6 3.440 . 3.940 2.496 2.395 2.589 . 0 0 "[ . 1 ]" 1
341 2 6 DT H2' 2 6 DT M7 6.610 . 7.110 4.145 4.099 4.180 . 0 0 "[ . 1 ]" 1
342 2 6 DT H2' 2 7 DA H8 4.710 2.540 5.210 2.858 2.751 3.071 . 0 0 "[ . 1 ]" 1
343 2 6 DT H2'' 2 6 DT H6 3.820 2.290 4.320 3.902 3.852 3.947 . 0 0 "[ . 1 ]" 1
344 2 6 DT H2'' 2 7 DA H8 3.360 2.010 3.860 2.172 2.129 2.242 . 0 0 "[ . 1 ]" 1
345 2 6 DT H3 2 7 DA H2 5.500 . 6.000 4.044 3.813 4.334 . 0 0 "[ . 1 ]" 1
346 2 6 DT H3 3 1 NT H11 5.500 . 6.000 4.722 4.308 5.129 . 0 0 "[ . 1 ]" 1
347 2 6 DT H3 3 1 NT H5 5.500 . 6.000 4.747 4.500 5.030 . 0 0 "[ . 1 ]" 1
348 2 6 DT H3' 2 6 DT Q5' 6.930 . 7.430 2.645 2.551 2.735 . 0 0 "[ . 1 ]" 1
349 2 6 DT H3' 2 6 DT H6 3.840 2.300 4.340 3.473 3.128 3.743 . 0 0 "[ . 1 ]" 1
350 2 6 DT H3' 2 7 DA H8 4.720 2.830 5.220 4.395 4.278 4.611 . 0 0 "[ . 1 ]" 1
351 2 6 DT H4' 2 6 DT Q5' 6.930 . 7.430 2.152 2.129 2.162 . 0 0 "[ . 1 ]" 1
352 2 6 DT H4' 3 1 NT H7 5.500 . 6.000 2.716 2.590 2.901 . 0 0 "[ . 1 ]" 1
353 2 6 DT Q5' 3 1 NT H7 6.930 . 7.430 3.111 2.974 3.240 . 0 0 "[ . 1 ]" 1
354 2 6 DT H6 2 6 DT M7 4.190 2.090 4.690 2.265 2.242 2.286 . 0 0 "[ . 1 ]" 1
355 2 6 DT H6 2 7 DA H8 5.490 2.960 5.990 5.116 4.670 5.362 . 0 0 "[ . 1 ]" 1
356 2 7 DA H1' 2 7 DA H2 5.040 2.700 5.540 4.199 4.009 4.374 . 0 0 "[ . 1 ]" 1
357 2 7 DA H1' 2 7 DA H3' 4.590 2.470 5.090 3.927 3.902 3.946 . 0 0 "[ . 1 ]" 1
358 2 7 DA H1' 2 7 DA H4' 3.620 2.170 4.120 3.216 2.999 3.387 . 0 0 "[ . 1 ]" 1
359 2 7 DA H1' 2 7 DA H8 5.420 2.920 5.920 3.761 3.747 3.777 . 0 0 "[ . 1 ]" 1
360 2 7 DA H1' 3 1 NT H11 4.190 2.240 4.690 2.920 2.751 3.038 . 0 0 "[ . 1 ]" 1
361 2 7 DA H1' 3 1 NT H161 . 2.240 5.680 2.568 2.300 2.748 . 0 0 "[ . 1 ]" 1
362 2 7 DA H1' 3 1 NT HN6 6.170 . 6.670 3.250 3.137 3.342 . 0 0 "[ . 1 ]" 1
363 2 7 DA H1' 2 8 DT H6 5.500 . 6.000 4.255 4.033 4.448 . 0 0 "[ . 1 ]" 1
364 2 7 DA H1' 2 8 DT M7 5.580 2.510 6.080 4.532 4.273 4.660 . 0 0 "[ . 1 ]" 1
365 2 7 DA H2 2 8 DT H3 5.500 . 6.000 3.674 3.464 3.865 . 0 0 "[ . 1 ]" 1
366 2 7 DA H2 3 1 NT H11 3.480 2.090 3.980 3.176 2.981 3.328 . 0 0 "[ . 1 ]" 1
367 2 7 DA H2 3 1 NT H161 4.940 2.570 5.440 2.226 2.033 2.515 0.537 5 2 "[ +- 1 ]" 1
368 2 7 DA H2 3 1 NT H5 6.930 . 7.430 3.631 3.624 3.637 . 0 0 "[ . 1 ]" 1
369 2 7 DA H2 3 1 NT HN6 6.170 . 6.670 4.865 4.784 4.918 . 0 0 "[ . 1 ]" 1
370 2 7 DA H2' 2 7 DA H8 3.400 2.040 3.900 2.238 2.202 2.278 . 0 0 "[ . 1 ]" 1
371 2 7 DA H2' 2 8 DT H6 3.820 2.060 4.320 3.078 2.983 3.166 . 0 0 "[ . 1 ]" 1
372 2 7 DA H2' 2 8 DT M7 4.650 2.090 5.150 2.584 2.402 2.728 . 0 0 "[ . 1 ]" 1
373 2 7 DA H2'' 2 7 DA H8 3.550 2.130 4.050 3.712 3.695 3.731 . 0 0 "[ . 1 ]" 1
374 2 7 DA H2'' 2 8 DT H6 3.410 2.050 3.910 2.389 2.191 2.519 . 0 0 "[ . 1 ]" 1
375 2 7 DA H2'' 2 8 DT M7 4.620 2.070 5.120 3.231 2.875 3.400 . 0 0 "[ . 1 ]" 1
376 2 7 DA H3' 2 7 DA H8 4.140 2.480 4.640 3.780 3.707 3.856 . 0 0 "[ . 1 ]" 1
377 2 7 DA H3' 2 8 DT H6 4.510 2.430 5.010 4.594 4.556 4.629 . 0 0 "[ . 1 ]" 1
378 2 7 DA H3' 2 8 DT M7 5.940 2.670 6.440 4.174 3.968 4.297 . 0 0 "[ . 1 ]" 1
379 2 7 DA H4' 2 7 DA H8 7.240 3.900 7.740 4.495 4.425 4.647 . 0 0 "[ . 1 ]" 1
380 2 7 DA H4' 3 1 NT H13 4.100 2.210 4.600 4.177 4.135 4.244 . 0 0 "[ . 1 ]" 1
381 2 7 DA H4' 3 1 NT H7 4.340 2.340 4.840 4.558 4.511 4.599 . 0 0 "[ . 1 ]" 1
382 2 7 DA H4' 3 1 NT HN6 5.500 . 6.000 3.838 3.722 4.012 . 0 0 "[ . 1 ]" 1
383 2 7 DA H8 2 8 DT H6 5.480 2.950 5.980 4.724 4.572 4.927 . 0 0 "[ . 1 ]" 1
384 2 7 DA H8 2 8 DT M7 4.400 2.190 4.900 2.849 2.743 2.941 . 0 0 "[ . 1 ]" 1
385 2 8 DT H1' 2 8 DT H3' 4.050 2.180 4.550 3.773 3.734 3.799 . 0 0 "[ . 1 ]" 1
386 2 8 DT H1' 2 8 DT H6 4.380 2.360 4.880 3.768 3.748 3.788 . 0 0 "[ . 1 ]" 1
387 2 8 DT H1' 2 9 DC H6 5.500 . 6.000 3.186 3.050 3.593 . 0 0 "[ . 1 ]" 1
388 2 8 DT H2' 2 8 DT H6 3.000 . 3.500 2.050 2.024 2.091 . 0 0 "[ . 1 ]" 1
389 2 8 DT H2' 2 8 DT M7 5.810 2.600 6.310 3.847 3.768 3.908 . 0 0 "[ . 1 ]" 1
390 2 8 DT H2' 2 9 DC H5 3.760 2.260 4.260 3.196 3.144 3.271 . 0 0 "[ . 1 ]" 1
391 2 8 DT H2' 2 9 DC H6 4.030 2.170 4.530 3.785 3.525 3.868 . 0 0 "[ . 1 ]" 1
392 2 8 DT H2'' 2 8 DT H6 3.340 . 3.840 3.400 3.357 3.447 . 0 0 "[ . 1 ]" 1
393 2 8 DT H2'' 2 8 DT M7 5.860 2.630 6.360 4.876 4.765 4.916 . 0 0 "[ . 1 ]" 1
394 2 8 DT H2'' 2 9 DC H5 3.730 2.010 4.230 2.589 2.438 2.942 . 0 0 "[ . 1 ]" 1
395 2 8 DT H2'' 2 9 DC H6 5.500 . 6.000 2.148 2.068 2.197 . 0 0 "[ . 1 ]" 1
396 2 8 DT H3 2 9 DC H41 5.500 . 6.000 3.744 3.511 3.986 . 0 0 "[ . 1 ]" 1
397 2 8 DT H3 2 9 DC H42 5.500 . 6.000 4.352 4.063 4.538 . 0 0 "[ . 1 ]" 1
398 2 8 DT H3 2 9 DC H5 5.500 . 6.000 4.780 4.603 5.053 . 0 0 "[ . 1 ]" 1
399 2 8 DT H3' 2 8 DT H6 3.940 2.370 4.440 4.005 3.964 4.074 . 0 0 "[ . 1 ]" 1
400 2 8 DT H3' 2 9 DC H5 4.960 2.670 5.460 5.014 4.983 5.068 . 0 0 "[ . 1 ]" 1
401 2 8 DT H3' 2 9 DC H6 5.500 . 6.000 4.732 4.661 4.798 . 0 0 "[ . 1 ]" 1
402 2 8 DT H6 2 8 DT M7 4.000 . 4.500 2.208 2.183 2.228 . 0 0 "[ . 1 ]" 1
403 2 8 DT H6 2 9 DC H5 4.360 2.620 4.860 3.646 3.479 3.776 . 0 0 "[ . 1 ]" 1
404 2 8 DT H6 2 9 DC H6 5.030 2.710 5.530 4.967 4.736 5.085 . 0 0 "[ . 1 ]" 1
405 2 8 DT M7 2 9 DC H5 5.790 2.890 6.290 4.031 3.642 4.239 . 0 0 "[ . 1 ]" 1
406 2 9 DC H1' 2 9 DC H3' 4.220 2.530 4.720 3.966 3.912 3.988 . 0 0 "[ . 1 ]" 1
407 2 9 DC H1' 2 9 DC H4' 3.800 2.050 4.300 3.141 2.938 3.233 . 0 0 "[ . 1 ]" 1
408 2 9 DC H1' 2 9 DC H6 5.500 . 6.000 3.713 3.691 3.737 . 0 0 "[ . 1 ]" 1
409 2 9 DC H1' 2 10 DC H4' 5.500 . 6.000 5.415 5.127 5.560 . 0 0 "[ . 1 ]" 1
410 2 9 DC H1' 2 10 DC H6 5.500 . 6.000 4.374 4.195 4.716 . 0 0 "[ . 1 ]" 1
411 2 9 DC H1' 3 1 NT H161 6.140 2.620 6.590 4.106 3.488 4.529 . 0 0 "[ . 1 ]" 1
412 2 9 DC H2' 2 9 DC H5 4.340 2.340 4.840 4.368 4.315 4.411 . 0 0 "[ . 1 ]" 1
413 2 9 DC H2' 2 9 DC H6 5.500 . 6.000 2.700 2.569 2.951 . 0 0 "[ . 1 ]" 1
414 2 9 DC H2'' 2 9 DC H6 5.500 . 6.000 4.057 3.978 4.146 . 0 0 "[ . 1 ]" 1
415 2 9 DC H2'' 2 10 DC H1' 6.290 3.380 6.790 4.498 4.303 4.835 . 0 0 "[ . 1 ]" 1
416 2 9 DC H2'' 2 10 DC H5 4.260 2.300 4.760 3.877 3.394 4.279 . 0 0 "[ . 1 ]" 1
417 2 9 DC H2'' 2 10 DC H6 5.500 . 6.000 2.526 2.296 2.880 . 0 0 "[ . 1 ]" 1
418 2 9 DC H3' 2 9 DC H5 5.500 . 6.000 5.366 4.854 5.585 . 0 0 "[ . 1 ]" 1
419 2 9 DC H3' 2 9 DC H6 3.860 2.080 4.360 3.168 2.811 3.371 . 0 0 "[ . 1 ]" 1
420 2 9 DC H3' 2 10 DC H5 4.900 2.640 5.400 4.410 4.180 4.724 . 0 0 "[ . 1 ]" 1
421 2 9 DC H3' 2 10 DC H6 5.500 . 6.000 4.183 4.026 4.285 . 0 0 "[ . 1 ]" 1
422 2 9 DC H41 2 9 DC H5 5.500 . 6.000 3.692 3.657 3.715 . 0 0 "[ . 1 ]" 1
423 2 9 DC H42 2 9 DC H5 5.500 . 6.000 2.439 2.375 2.494 . 0 0 "[ . 1 ]" 1
424 2 10 DC H1' 2 10 DC H3' 5.500 . 6.000 3.922 3.830 4.008 . 0 0 "[ . 1 ]" 1
425 2 10 DC H1' 2 10 DC H4' 5.500 . 6.000 3.080 2.932 3.263 . 0 0 "[ . 1 ]" 1
426 2 10 DC H1' 2 10 DC H6 5.500 . 6.000 3.719 3.676 3.740 . 0 0 "[ . 1 ]" 1
427 2 10 DC Q2' 2 10 DC H4' 6.170 . 6.670 3.012 2.623 3.416 . 0 0 "[ . 1 ]" 1
428 2 10 DC Q2' 2 10 DC H6 6.170 . 6.670 2.864 2.448 3.376 . 0 0 "[ . 1 ]" 1
429 2 10 DC H3' 2 10 DC H5 5.660 3.050 6.160 5.132 4.508 5.702 . 0 0 "[ . 1 ]" 1
430 2 10 DC H3' 2 10 DC H6 5.500 . 6.000 2.862 2.298 3.384 . 0 0 "[ . 1 ]" 1
431 2 10 DC H4' 2 10 DC H6 5.500 . 6.000 4.253 4.099 4.461 . 0 0 "[ . 1 ]" 1
432 2 10 DC H41 2 10 DC H5 5.500 . 6.000 3.654 3.623 3.688 . 0 0 "[ . 1 ]" 1
433 2 10 DC H42 2 10 DC H5 5.500 . 6.000 2.390 2.320 2.478 . 0 0 "[ . 1 ]" 1
434 3 1 NT H11 3 1 NT H5 5.500 . 6.000 4.753 4.553 4.875 . 0 0 "[ . 1 ]" 1
435 3 1 NT H11 3 1 NT HN6 5.500 . 6.000 2.826 2.769 2.854 . 0 0 "[ . 1 ]" 1
436 3 1 NT H161 3 1 NT H5 6.930 . 7.430 7.059 6.917 7.154 . 0 0 "[ . 1 ]" 1
437 3 1 NT H5 3 1 NT HN6 5.500 . 6.000 2.165 2.061 2.247 . 0 0 "[ . 1 ]" 1
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