NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
448920 |
2oey   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2oey
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 426
_Distance_constraint_stats_list.Viol_count 337
_Distance_constraint_stats_list.Viol_total 388.577
_Distance_constraint_stats_list.Viol_max 1.120
_Distance_constraint_stats_list.Viol_rms 0.0674
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0143
_Distance_constraint_stats_list.Viol_average_violations_only 0.1441
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 DC 1.636 0.238 3 0 "[ . ]"
1 2 DC 1.658 0.238 3 0 "[ . ]"
1 3 DA 0.023 0.023 7 0 "[ . ]"
1 4 DT 1.533 0.292 3 0 "[ . ]"
1 5 DC 2.082 0.292 3 0 "[ . ]"
1 6 DG 2.917 0.221 1 0 "[ . ]"
1 7 DT 3.435 0.665 7 1 "[ . + ]"
1 8 DC 6.327 0.665 7 1 "[ . + ]"
1 9 DT 3.328 0.813 1 1 "[+ . ]"
1 10 DA 3.882 0.813 1 1 "[+ . ]"
1 11 DC 3.689 0.456 5 0 "[ . ]"
1 12 DC 2.609 0.266 1 0 "[ . ]"
1 13 DT 10.624 1.120 4 7 "[-* +****]"
1 14 DT 8.136 1.120 4 7 "[-* +****]"
1 15 DT 3.164 0.418 7 0 "[ . ]"
1 16 DG 0.519 0.091 1 0 "[ . ]"
1 17 DG 0.153 0.078 1 0 "[ . ]"
1 18 DT 2.207 0.287 4 0 "[ . ]"
1 19 DA 3.965 0.820 1 1 "[+ . ]"
1 20 DG 6.020 0.820 1 1 "[+ . ]"
1 21 DG 0.317 0.114 8 0 "[ . ]"
1 22 DA 1.433 0.257 4 0 "[ . ]"
1 23 DT 1.739 0.257 4 0 "[ . ]"
1 24 DG 0.143 0.098 6 0 "[ . ]"
1 25 DG 0.046 0.046 3 0 "[ . ]"
2 1 S2A 9.684 0.610 7 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 DC H1' 1 1 DC H2' 3.330 2.660 4.000 3.066 3.063 3.070 . 0 0 "[ . ]" 1
2 1 1 DC H1' 1 1 DC H2'' 2.690 2.150 3.230 2.450 2.445 2.456 . 0 0 "[ . ]" 1
3 1 1 DC H1' 1 1 DC H3' 3.980 3.180 4.780 3.678 3.573 3.713 . 0 0 "[ . ]" 1
4 1 1 DC H1' 1 1 DC H6 3.820 3.060 4.580 3.727 3.721 3.746 . 0 0 "[ . ]" 1
5 1 1 DC H1' 1 2 DC H5 4.090 3.270 4.910 3.850 3.476 3.957 . 0 0 "[ . ]" 1
6 1 1 DC H1' 1 2 DC H6 3.640 2.550 4.730 2.793 2.594 2.875 . 0 0 "[ . ]" 1
7 1 1 DC H2' 1 1 DC H3' 3.020 2.110 3.930 2.477 2.466 2.502 . 0 0 "[ . ]" 1
8 1 1 DC H2' 1 1 DC H5 4.240 3.390 5.090 4.438 4.420 4.466 . 0 0 "[ . ]" 1
9 1 1 DC H2' 1 1 DC H6 2.540 2.030 3.050 2.217 2.086 2.269 . 0 0 "[ . ]" 1
10 1 1 DC H2' 1 2 DC H5 3.520 2.820 4.220 3.369 3.197 3.783 . 0 0 "[ . ]" 1
11 1 1 DC H2' 1 2 DC H6 3.940 3.150 4.730 4.043 3.893 4.451 . 0 0 "[ . ]" 1
12 1 1 DC H2'' 1 1 DC H3' 3.040 2.430 3.650 2.663 2.650 2.670 . 0 0 "[ . ]" 1
13 1 1 DC H2'' 1 1 DC H6 3.450 2.760 4.140 3.582 3.241 3.648 . 0 0 "[ . ]" 1
14 1 1 DC H2'' 1 2 DC H5 3.090 2.470 3.710 2.316 2.232 2.459 0.238 3 0 "[ . ]" 1
15 1 1 DC H2'' 1 2 DC H6 3.240 2.270 4.210 2.338 2.182 2.816 0.088 6 0 "[ . ]" 1
16 1 1 DC H3' 1 1 DC H6 3.740 2.620 4.860 4.414 4.373 4.522 . 0 0 "[ . ]" 1
17 1 1 DC H3' 1 2 DC H6 5.060 4.050 6.070 4.515 4.432 4.668 . 0 0 "[ . ]" 1
18 1 1 DC H41 1 25 DG H1 3.000 2.100 3.900 2.997 2.959 3.040 . 0 0 "[ . ]" 1
19 1 1 DC H42 1 25 DG H1 4.000 2.800 5.200 4.433 4.397 4.471 . 0 0 "[ . ]" 1
20 1 1 DC H5 1 2 DC H5 4.120 2.880 5.360 5.297 4.985 5.449 0.089 4 0 "[ . ]" 1
21 1 1 DC H6 1 2 DC H5 4.170 3.340 5.000 4.364 4.059 4.510 . 0 0 "[ . ]" 1
22 1 1 DC H6 1 2 DC H6 4.150 2.900 5.400 5.348 5.233 5.405 0.005 4 0 "[ . ]" 1
23 1 2 DC H1' 1 2 DC H2' 3.030 2.420 3.640 3.065 3.058 3.068 . 0 0 "[ . ]" 1
24 1 2 DC H1' 1 2 DC H2'' 2.670 2.140 3.200 2.441 2.434 2.447 . 0 0 "[ . ]" 1
25 1 2 DC H1' 1 2 DC H3' 3.840 3.070 4.610 3.648 3.567 3.692 . 0 0 "[ . ]" 1
26 1 2 DC H1' 1 2 DC H6 3.990 3.190 4.790 3.732 3.726 3.739 . 0 0 "[ . ]" 1
27 1 2 DC H1' 1 3 DA H8 3.340 2.670 4.010 3.111 2.714 3.834 . 0 0 "[ . ]" 1
28 1 2 DC H2' 1 2 DC H3' 3.010 2.410 3.610 2.490 2.464 2.534 . 0 0 "[ . ]" 1
29 1 2 DC H2' 1 2 DC H5 3.960 3.170 4.750 4.443 4.392 4.563 . 0 0 "[ . ]" 1
30 1 2 DC H2' 1 2 DC H6 2.390 . 2.870 2.163 2.112 2.266 . 0 0 "[ . ]" 1
31 1 2 DC H2' 1 3 DA H8 4.020 3.220 4.820 4.090 3.822 4.242 . 0 0 "[ . ]" 1
32 1 2 DC H2'' 1 2 DC H3' 3.110 2.490 3.730 2.679 2.669 2.687 . 0 0 "[ . ]" 1
33 1 2 DC H2'' 1 2 DC H6 3.330 2.660 4.000 3.524 3.487 3.582 . 0 0 "[ . ]" 1
34 1 2 DC H2'' 1 3 DA H8 3.110 2.490 3.730 2.568 2.467 2.626 0.023 7 0 "[ . ]" 1
35 1 2 DC H3' 1 2 DC H6 4.030 3.220 4.840 4.415 4.342 4.559 . 0 0 "[ . ]" 1
36 1 2 DC H41 1 24 DG H1 3.000 2.100 3.900 3.214 3.057 3.390 . 0 0 "[ . ]" 1
37 1 2 DC H41 1 24 DG H21 5.000 3.800 6.200 5.627 5.408 5.883 . 0 0 "[ . ]" 1
38 1 2 DC H42 1 24 DG H1 4.000 2.800 5.200 4.617 4.465 4.788 . 0 0 "[ . ]" 1
39 1 2 DC H5 1 24 DG H1 6.000 4.200 7.800 5.262 5.168 5.377 . 0 0 "[ . ]" 1
40 1 3 DA H1' 1 3 DA H2 4.890 3.900 5.880 4.474 4.409 4.571 . 0 0 "[ . ]" 1
41 1 3 DA H1' 1 3 DA H2' 3.210 2.570 3.850 3.052 3.043 3.056 . 0 0 "[ . ]" 1
42 1 3 DA H1' 1 3 DA H2'' 2.680 2.140 3.220 2.455 2.427 2.491 . 0 0 "[ . ]" 1
43 1 3 DA H1' 1 3 DA H3' 3.970 3.180 4.760 3.530 3.374 3.638 . 0 0 "[ . ]" 1
44 1 3 DA H1' 1 3 DA H8 4.020 3.220 4.820 3.910 3.841 3.938 . 0 0 "[ . ]" 1
45 1 3 DA H1' 1 4 DT H6 3.230 2.580 3.880 3.436 2.749 3.822 . 0 0 "[ . ]" 1
46 1 3 DA H2 1 24 DG H1 4.000 2.800 5.200 4.213 3.677 4.575 . 0 0 "[ . ]" 1
47 1 3 DA H2' 1 3 DA H8 2.730 2.180 3.280 2.488 2.420 2.545 . 0 0 "[ . ]" 1
48 1 3 DA H2' 1 4 DT H6 4.010 3.210 4.810 3.927 3.448 4.555 . 0 0 "[ . ]" 1
49 1 3 DA H2'' 1 3 DA H3' 3.120 2.500 3.740 2.677 2.671 2.682 . 0 0 "[ . ]" 1
50 1 3 DA H2'' 1 3 DA H8 3.460 2.770 4.150 3.534 3.066 3.789 . 0 0 "[ . ]" 1
51 1 3 DA H2'' 1 4 DT H6 2.980 2.090 3.870 2.607 2.353 2.955 . 0 0 "[ . ]" 1
52 1 3 DA H3' 1 3 DA H8 4.750 3.900 5.600 4.904 4.771 5.048 . 0 0 "[ . ]" 1
53 1 3 DA H61 1 23 DT H3 3.000 2.100 3.900 2.879 2.717 2.994 . 0 0 "[ . ]" 1
54 1 3 DA H62 1 23 DT H3 4.000 2.800 5.200 4.284 4.116 4.365 . 0 0 "[ . ]" 1
55 1 3 DA H8 1 4 DT H6 4.760 3.810 5.710 4.428 4.190 4.860 . 0 0 "[ . ]" 1
56 1 4 DT H1' 1 4 DT H2' 3.150 2.520 3.780 2.985 2.972 2.995 . 0 0 "[ . ]" 1
57 1 4 DT H1' 1 4 DT H3' 4.110 3.290 4.930 3.700 3.695 3.704 . 0 0 "[ . ]" 1
58 1 4 DT H1' 1 4 DT H6 3.870 3.100 4.640 3.668 3.601 3.701 . 0 0 "[ . ]" 1
59 1 4 DT H1' 1 5 DC H5 3.910 2.740 5.080 4.925 4.833 4.982 . 0 0 "[ . ]" 1
60 1 4 DT H1' 1 5 DC H6 3.370 2.700 4.040 4.158 4.032 4.332 0.292 3 0 "[ . ]" 1
61 1 4 DT H2' 1 4 DT H6 3.340 2.650 4.030 3.065 2.904 3.357 . 0 0 "[ . ]" 1
62 1 4 DT H2' 1 5 DC H5 2.930 2.050 3.810 2.709 2.334 2.940 . 0 0 "[ . ]" 1
63 1 4 DT H2' 1 5 DC H6 3.410 2.390 4.430 2.503 2.279 2.756 0.111 8 0 "[ . ]" 1
64 1 4 DT H2'' 1 4 DT H6 3.620 2.900 4.340 4.360 4.256 4.541 0.201 3 0 "[ . ]" 1
65 1 4 DT H3 1 23 DT H3 4.000 2.800 5.200 3.848 3.552 3.986 . 0 0 "[ . ]" 1
66 1 4 DT H3' 1 4 DT H6 3.770 3.020 4.520 3.481 3.362 3.649 . 0 0 "[ . ]" 1
67 1 4 DT H3' 1 5 DC H6 4.520 3.160 5.880 4.345 4.032 4.592 . 0 0 "[ . ]" 1
68 1 4 DT H6 1 5 DC H5 3.780 3.020 4.540 4.259 4.032 4.421 . 0 0 "[ . ]" 1
69 1 5 DC H1' 1 5 DC H2' 3.590 2.510 4.670 2.689 2.687 2.694 . 0 0 "[ . ]" 1
70 1 5 DC H1' 1 5 DC H2'' 3.010 2.110 3.910 2.355 2.345 2.374 . 0 0 "[ . ]" 1
71 1 5 DC H1' 1 5 DC H3' 3.620 2.530 4.710 3.593 3.584 3.600 . 0 0 "[ . ]" 1
72 1 5 DC H1' 1 5 DC H6 4.230 2.960 5.500 3.667 3.643 3.677 . 0 0 "[ . ]" 1
73 1 5 DC H1' 2 1 S2A HW3 5.330 4.260 6.400 5.920 5.453 6.302 . 0 0 "[ . ]" 1
74 1 5 DC H2' 1 5 DC H3' 3.040 2.130 3.950 2.567 2.559 2.576 . 0 0 "[ . ]" 1
75 1 5 DC H2' 1 5 DC H6 3.210 2.250 4.170 3.826 3.792 3.880 . 0 0 "[ . ]" 1
76 1 5 DC H3' 1 5 DC H6 3.120 2.150 4.090 2.040 2.015 2.071 0.135 7 0 "[ . ]" 1
77 1 5 DC H41 1 21 DG H1 3.000 2.100 3.900 2.868 2.834 2.965 . 0 0 "[ . ]" 1
78 1 5 DC H41 2 1 S2A H13 5.000 4.000 6.000 5.126 4.931 5.269 . 0 0 "[ . ]" 1
79 1 5 DC H41 2 1 S2A H24 3.500 2.800 4.200 3.663 3.537 3.804 . 0 0 "[ . ]" 1
80 1 5 DC H41 2 1 S2A H25 2.750 2.200 3.300 2.683 2.582 2.822 . 0 0 "[ . ]" 1
81 1 5 DC H41 2 1 S2A HW1 4.000 3.200 4.800 4.107 3.871 4.245 . 0 0 "[ . ]" 1
82 1 5 DC H42 1 21 DG H1 4.000 2.800 5.200 4.293 4.261 4.392 . 0 0 "[ . ]" 1
83 1 5 DC H42 2 1 S2A H24 3.500 2.800 4.200 3.497 3.430 3.636 . 0 0 "[ . ]" 1
84 1 5 DC H42 2 1 S2A H25 4.000 3.200 4.800 3.781 3.649 3.888 . 0 0 "[ . ]" 1
85 1 5 DC H5 2 1 S2A H24 4.930 3.940 5.920 5.140 4.980 5.386 . 0 0 "[ . ]" 1
86 1 5 DC H5 2 1 S2A HW1 4.460 3.570 5.350 5.192 4.845 5.410 0.060 3 0 "[ . ]" 1
87 1 6 DG H1' 1 6 DG H2' 3.440 2.750 4.130 3.038 3.024 3.044 . 0 0 "[ . ]" 1
88 1 6 DG H1' 1 6 DG H2'' 2.910 2.040 3.780 2.379 2.364 2.416 . 0 0 "[ . ]" 1
89 1 6 DG H1' 1 6 DG H8 3.640 2.910 4.370 3.871 3.845 3.919 . 0 0 "[ . ]" 1
90 1 6 DG H1' 1 7 DT H6 4.120 2.880 5.360 3.040 2.852 4.002 0.028 6 0 "[ . ]" 1
91 1 6 DG H1' 2 1 S2A H18 3.380 2.700 4.060 4.047 2.931 4.281 0.221 1 0 "[ . ]" 1
92 1 6 DG H1' 2 1 S2A H19 4.920 3.440 6.400 6.290 5.064 6.574 0.174 1 0 "[ . ]" 1
93 1 6 DG H2' 1 6 DG H3' 3.290 2.300 4.280 2.547 2.531 2.573 . 0 0 "[ . ]" 1
94 1 6 DG H2' 1 6 DG H8 3.420 2.740 4.100 3.170 2.608 3.381 0.132 7 0 "[ . ]" 1
95 1 6 DG H2' 2 1 S2A H18 3.880 2.720 5.040 4.506 4.210 5.201 0.161 7 0 "[ . ]" 1
96 1 6 DG H2' 2 1 S2A H29 4.170 3.340 5.000 3.662 3.249 5.203 0.203 7 0 "[ . ]" 1
97 1 6 DG H2' 2 1 S2A H30 4.110 3.290 4.930 3.810 3.549 4.912 . 0 0 "[ . ]" 1
98 1 6 DG H2'' 1 6 DG H3' 3.110 2.180 4.040 2.687 2.668 2.694 . 0 0 "[ . ]" 1
99 1 6 DG H2'' 1 6 DG H8 4.350 3.040 5.660 4.275 3.481 4.485 . 0 0 "[ . ]" 1
100 1 6 DG H2'' 2 1 S2A H18 3.340 2.670 4.010 3.687 3.548 3.946 . 0 0 "[ . ]" 1
101 1 6 DG H2'' 2 1 S2A H29 3.510 2.810 4.210 3.149 2.880 4.297 0.087 7 0 "[ . ]" 1
102 1 6 DG H2'' 2 1 S2A H30 4.370 3.500 5.240 3.989 3.410 4.190 0.090 3 0 "[ . ]" 1
103 1 6 DG H3' 1 6 DG H4' 2.820 . 3.670 2.621 2.598 2.658 . 0 0 "[ . ]" 1
104 1 6 DG H3' 2 1 S2A H29 3.060 2.140 3.980 2.266 2.073 3.009 0.067 3 0 "[ . ]" 1
105 1 6 DG H3' 2 1 S2A H30 3.640 2.550 4.730 3.628 2.937 3.767 . 0 0 "[ . ]" 1
106 1 6 DG H8 2 1 S2A H17 4.540 3.630 5.450 5.128 4.978 5.428 . 0 0 "[ . ]" 1
107 1 6 DG H8 2 1 S2A H18 4.320 3.460 5.180 5.046 4.893 5.266 0.086 3 0 "[ . ]" 1
108 1 6 DG H8 2 1 S2A H19 4.850 3.390 6.310 6.009 5.732 6.177 . 0 0 "[ . ]" 1
109 1 7 DT H1' 1 7 DT H2' 2.710 2.170 3.250 3.045 3.031 3.049 . 0 0 "[ . ]" 1
110 1 7 DT H1' 1 7 DT H2'' 2.670 2.140 3.200 2.449 2.443 2.453 . 0 0 "[ . ]" 1
111 1 7 DT H1' 1 7 DT H3' 3.590 2.870 4.310 3.557 3.529 3.601 . 0 0 "[ . ]" 1
112 1 7 DT H1' 1 7 DT H4' 3.770 2.640 4.900 3.457 3.407 3.475 . 0 0 "[ . ]" 1
113 1 7 DT H1' 1 7 DT H6 3.930 3.140 4.720 3.700 3.681 3.712 . 0 0 "[ . ]" 1
114 1 7 DT H2' 1 7 DT H6 2.730 2.180 3.280 2.536 2.415 2.671 . 0 0 "[ . ]" 1
115 1 7 DT H2' 1 8 DC H5 4.870 3.900 5.840 4.255 4.027 4.606 . 0 0 "[ . ]" 1
116 1 7 DT H2'' 1 7 DT H3' 2.700 2.160 3.240 2.655 2.646 2.668 . 0 0 "[ . ]" 1
117 1 7 DT H2'' 1 7 DT H6 3.520 2.820 4.220 3.838 3.757 3.964 . 0 0 "[ . ]" 1
118 1 7 DT H2'' 1 8 DC H5 3.280 2.620 3.940 4.120 3.983 4.605 0.665 7 1 "[ . + ]" 1
119 1 7 DT H2'' 1 8 DC H6 3.840 2.690 4.990 3.470 3.272 3.762 . 0 0 "[ . ]" 1
120 1 7 DT H2'' 2 1 S2A H17 3.720 2.980 4.460 3.253 2.918 3.357 0.062 3 0 "[ . ]" 1
121 1 7 DT H2'' 2 1 S2A H18 3.940 3.150 4.730 3.007 2.540 3.216 0.610 7 1 "[ . + ]" 1
122 1 7 DT H3' 1 7 DT H4' 3.010 2.110 3.910 2.642 2.635 2.655 . 0 0 "[ . ]" 1
123 1 7 DT H3' 1 8 DC H6 3.190 2.550 3.830 2.511 2.360 2.760 0.190 7 0 "[ . ]" 1
124 1 8 DC H1' 1 8 DC H2' 3.420 2.740 4.100 3.063 3.058 3.070 . 0 0 "[ . ]" 1
125 1 8 DC H1' 1 8 DC H2'' 2.610 2.090 3.130 2.456 2.440 2.468 . 0 0 "[ . ]" 1
126 1 8 DC H1' 1 8 DC H6 3.580 2.860 4.300 3.703 3.675 3.723 . 0 0 "[ . ]" 1
127 1 8 DC H1' 1 9 DT H6 3.440 2.750 4.130 3.805 3.659 4.019 . 0 0 "[ . ]" 1
128 1 8 DC H1' 2 1 S2A H18 4.560 3.650 5.470 4.235 4.046 4.458 . 0 0 "[ . ]" 1
129 1 8 DC H1' 2 1 S2A H19 3.750 3.000 4.500 3.946 3.704 4.140 . 0 0 "[ . ]" 1
130 1 8 DC H1' 2 1 S2A H20 4.710 3.300 6.120 5.243 4.996 5.507 . 0 0 "[ . ]" 1
131 1 8 DC H2' 1 8 DC H6 2.410 . 2.890 2.554 2.451 2.777 . 0 0 "[ . ]" 1
132 1 8 DC H2' 1 9 DT H6 3.920 3.140 4.700 3.871 3.346 4.330 . 0 0 "[ . ]" 1
133 1 8 DC H2'' 1 8 DC H6 3.260 2.610 3.910 3.833 3.715 4.041 0.131 5 0 "[ . ]" 1
134 1 8 DC H2'' 1 9 DT H6 2.860 2.290 3.430 2.435 2.234 2.708 0.056 1 0 "[ . ]" 1
135 1 8 DC H3' 1 8 DC H6 4.590 3.670 5.510 4.699 4.643 4.789 . 0 0 "[ . ]" 1
136 1 8 DC H41 1 20 DG H1 3.000 2.100 3.900 3.270 3.009 3.363 . 0 0 "[ . ]" 1
137 1 8 DC H41 2 1 S2A H11 4.000 3.200 4.800 4.738 4.403 4.899 0.099 2 0 "[ . ]" 1
138 1 8 DC H41 2 1 S2A H12 4.000 3.200 4.800 4.182 3.933 4.326 . 0 0 "[ . ]" 1
139 1 8 DC H41 2 1 S2A H15 4.000 3.200 4.800 3.389 3.327 3.544 . 0 0 "[ . ]" 1
140 1 8 DC H41 2 1 S2A H17 4.500 3.600 5.400 4.442 4.343 4.642 . 0 0 "[ . ]" 1
141 1 8 DC H41 2 1 S2A H28 3.000 2.400 3.600 2.928 2.790 3.187 . 0 0 "[ . ]" 1
142 1 8 DC H41 2 1 S2A H29 4.500 3.600 5.400 5.373 5.233 5.632 0.232 3 0 "[ . ]" 1
143 1 8 DC H42 1 20 DG H1 4.000 2.800 5.200 4.653 4.420 4.741 . 0 0 "[ . ]" 1
144 1 8 DC H42 2 1 S2A H15 3.500 2.800 4.200 3.220 3.095 3.264 . 0 0 "[ . ]" 1
145 1 8 DC H42 2 1 S2A H17 4.500 3.600 5.400 4.067 3.987 4.178 . 0 0 "[ . ]" 1
146 1 8 DC H42 2 1 S2A H28 3.000 2.400 3.600 1.997 1.938 2.060 0.462 7 0 "[ . ]" 1
147 1 8 DC H42 2 1 S2A H29 4.500 3.600 5.400 4.218 4.131 4.402 . 0 0 "[ . ]" 1
148 1 8 DC H5 2 1 S2A H15 4.030 3.220 4.840 4.234 3.979 4.404 . 0 0 "[ . ]" 1
149 1 8 DC H5 2 1 S2A H17 3.710 2.970 4.450 3.543 3.448 3.643 . 0 0 "[ . ]" 1
150 1 8 DC H5 2 1 S2A H18 5.050 4.040 6.060 4.752 4.648 5.009 . 0 0 "[ . ]" 1
151 1 8 DC H5 2 1 S2A H28 3.370 2.700 4.040 3.413 3.052 3.577 . 0 0 "[ . ]" 1
152 1 8 DC H5 2 1 S2A H29 4.500 3.600 4.880 4.651 4.361 4.752 . 0 0 "[ . ]" 1
153 1 8 DC H6 1 9 DT H6 4.970 3.980 5.960 5.255 5.027 5.497 . 0 0 "[ . ]" 1
154 1 8 DC H6 2 1 S2A H17 3.920 3.140 4.700 4.204 4.047 4.414 . 0 0 "[ . ]" 1
155 1 8 DC H6 2 1 S2A H18 4.190 3.370 5.010 3.992 3.833 4.160 . 0 0 "[ . ]" 1
156 1 9 DT H1' 1 9 DT H2' 2.950 2.360 3.540 2.767 2.663 3.049 . 0 0 "[ . ]" 1
157 1 9 DT H1' 1 9 DT H2'' 2.660 2.130 3.190 2.309 2.258 2.502 . 0 0 "[ . ]" 1
158 1 9 DT H1' 1 9 DT H3' 3.720 2.590 4.850 3.604 3.349 3.693 . 0 0 "[ . ]" 1
159 1 9 DT H1' 1 9 DT H6 3.560 2.850 4.270 3.693 3.680 3.700 . 0 0 "[ . ]" 1
160 1 9 DT H1' 1 10 DA H8 3.700 2.590 4.810 4.551 2.807 4.936 0.126 8 0 "[ . ]" 1
161 1 9 DT H2' 1 9 DT H3' 2.680 2.140 3.220 2.476 2.166 2.589 . 0 0 "[ . ]" 1
162 1 9 DT H2' 1 9 DT H6 3.390 2.710 4.070 3.258 2.270 3.626 0.440 1 0 "[ . ]" 1
163 1 9 DT H2' 1 10 DA H8 3.150 2.200 4.100 2.637 2.258 4.913 0.813 1 1 "[+ . ]" 1
164 1 9 DT H2'' 1 9 DT H3' 3.060 2.140 3.980 2.986 2.668 3.037 . 0 0 "[ . ]" 1
165 1 9 DT H2'' 1 9 DT H6 3.430 2.740 4.120 4.136 2.962 4.334 0.214 7 0 "[ . ]" 1
166 1 9 DT H2'' 1 10 DA H8 3.690 2.950 4.430 3.516 2.584 3.885 0.366 5 0 "[ . ]" 1
167 1 9 DT H3 1 20 DG H1 4.000 2.800 5.200 3.536 3.313 3.628 . 0 0 "[ . ]" 1
168 1 9 DT H6 1 10 DA H8 4.670 3.740 5.600 5.006 4.682 5.284 . 0 0 "[ . ]" 1
169 1 10 DA H1' 1 10 DA H2 4.860 3.400 6.320 4.536 4.469 4.578 . 0 0 "[ . ]" 1
170 1 10 DA H1' 1 10 DA H2' 3.120 2.190 4.050 3.059 3.053 3.064 . 0 0 "[ . ]" 1
171 1 10 DA H1' 1 10 DA H2'' 2.470 . 2.960 2.459 2.441 2.479 . 0 0 "[ . ]" 1
172 1 10 DA H1' 1 10 DA H3' 3.880 2.720 5.040 3.574 3.488 3.607 . 0 0 "[ . ]" 1
173 1 10 DA H1' 1 10 DA H8 3.930 3.140 4.720 3.905 3.891 3.938 . 0 0 "[ . ]" 1
174 1 10 DA H1' 1 11 DC H6 3.110 2.490 3.730 3.048 2.802 3.660 . 0 0 "[ . ]" 1
175 1 10 DA H2' 1 10 DA H3' 2.540 2.030 3.050 2.523 2.509 2.553 . 0 0 "[ . ]" 1
176 1 10 DA H2' 1 10 DA H8 2.790 2.230 3.350 2.364 2.273 2.531 . 0 0 "[ . ]" 1
177 1 10 DA H2' 1 11 DC H5 3.930 3.140 4.720 3.377 3.172 3.703 . 0 0 "[ . ]" 1
178 1 10 DA H2' 1 11 DC H6 3.280 2.620 3.940 3.987 3.638 4.396 0.456 5 0 "[ . ]" 1
179 1 10 DA H2'' 1 10 DA H3' 2.770 2.220 3.320 2.651 2.644 2.667 . 0 0 "[ . ]" 1
180 1 10 DA H2'' 1 10 DA H8 3.070 2.460 3.680 3.532 3.395 3.775 0.095 1 0 "[ . ]" 1
181 1 10 DA H2'' 1 11 DC H5 3.240 2.590 3.890 2.546 2.296 3.412 0.294 3 0 "[ . ]" 1
182 1 10 DA H2'' 1 11 DC H6 2.760 2.210 3.310 2.319 2.194 2.707 0.016 7 0 "[ . ]" 1
183 1 10 DA H3' 1 10 DA H8 4.010 3.210 4.810 4.798 4.715 4.904 0.094 5 0 "[ . ]" 1
184 1 10 DA H61 1 18 DT H3 3.000 2.100 3.900 2.689 2.643 2.759 . 0 0 "[ . ]" 1
185 1 10 DA H62 1 18 DT H3 4.000 2.800 5.200 4.116 4.065 4.195 . 0 0 "[ . ]" 1
186 1 10 DA H8 1 11 DC H5 4.120 3.300 4.940 3.571 3.449 3.766 . 0 0 "[ . ]" 1
187 1 10 DA H8 1 11 DC H6 4.440 3.550 5.330 5.039 4.767 5.330 . 0 0 "[ . ]" 1
188 1 11 DC H1' 1 11 DC H2' 3.120 2.500 3.740 3.067 3.058 3.076 . 0 0 "[ . ]" 1
189 1 11 DC H1' 1 11 DC H2'' 2.790 2.230 3.350 2.488 2.467 2.508 . 0 0 "[ . ]" 1
190 1 11 DC H1' 1 11 DC H3' 3.870 3.100 4.640 3.549 3.435 3.615 . 0 0 "[ . ]" 1
191 1 11 DC H1' 1 11 DC H6 3.420 2.740 4.100 3.724 3.691 3.742 . 0 0 "[ . ]" 1
192 1 11 DC H1' 1 12 DC H6 3.850 2.700 5.000 2.554 2.434 2.680 0.266 1 0 "[ . ]" 1
193 1 11 DC H2' 1 11 DC H3' 2.490 . 2.990 2.505 2.480 2.539 . 0 0 "[ . ]" 1
194 1 11 DC H2' 1 11 DC H6 2.730 2.180 3.280 2.143 2.099 2.190 0.081 8 0 "[ . ]" 1
195 1 11 DC H2' 1 12 DC H6 3.920 3.140 4.700 4.449 4.079 4.805 0.105 7 0 "[ . ]" 1
196 1 11 DC H2'' 1 11 DC H3' 3.030 2.420 3.640 2.654 2.646 2.666 . 0 0 "[ . ]" 1
197 1 11 DC H2'' 1 11 DC H5 4.980 3.980 5.980 5.237 4.991 5.374 . 0 0 "[ . ]" 1
198 1 11 DC H2'' 1 11 DC H6 3.310 2.320 4.300 3.271 2.934 3.491 . 0 0 "[ . ]" 1
199 1 11 DC H2'' 1 12 DC H6 3.160 2.210 4.110 2.864 2.396 3.358 . 0 0 "[ . ]" 1
200 1 11 DC H3' 1 11 DC H6 4.150 3.320 4.980 4.552 4.474 4.642 . 0 0 "[ . ]" 1
201 1 11 DC H41 1 17 DG H1 3.000 2.100 3.900 2.995 2.894 3.070 . 0 0 "[ . ]" 1
202 1 11 DC H42 1 17 DG H1 4.000 2.800 5.200 4.425 4.330 4.493 . 0 0 "[ . ]" 1
203 1 11 DC H6 1 12 DC H5 4.180 2.920 5.440 3.928 3.832 4.060 . 0 0 "[ . ]" 1
204 1 12 DC H1' 1 12 DC H2' 2.880 2.300 3.460 2.654 2.641 2.666 . 0 0 "[ . ]" 1
205 1 12 DC H1' 1 12 DC H2'' 2.490 . 2.990 2.367 2.343 2.393 . 0 0 "[ . ]" 1
206 1 12 DC H1' 1 12 DC H3' 3.710 2.970 4.450 3.530 3.501 3.556 . 0 0 "[ . ]" 1
207 1 12 DC H1' 1 12 DC H6 3.570 2.860 4.280 3.573 3.514 3.629 . 0 0 "[ . ]" 1
208 1 12 DC H2' 1 12 DC H5 4.580 3.210 5.950 5.668 5.566 5.764 . 0 0 "[ . ]" 1
209 1 12 DC H2' 1 12 DC H6 3.070 2.150 3.990 4.149 4.054 4.240 0.250 7 0 "[ . ]" 1
210 1 12 DC H3' 1 12 DC H6 3.130 2.190 4.070 2.416 2.288 2.572 . 0 0 "[ . ]" 1
211 1 12 DC H41 1 16 DG H1 3.000 2.100 3.900 2.863 2.696 2.976 . 0 0 "[ . ]" 1
212 1 12 DC H42 1 16 DG H1 4.000 2.800 5.200 4.324 4.167 4.426 . 0 0 "[ . ]" 1
213 1 12 DC H5 1 16 DG H1 6.000 4.200 7.800 5.160 5.072 5.212 . 0 0 "[ . ]" 1
214 1 13 DT H1' 1 13 DT Q2' 2.800 2.440 3.360 2.224 2.143 2.246 0.297 1 0 "[ . ]" 1
215 1 13 DT H1' 1 13 DT H3' 4.270 3.420 5.120 3.543 3.528 3.581 . 0 0 "[ . ]" 1
216 1 13 DT H1' 1 13 DT H4' 3.690 2.950 4.430 3.512 3.260 3.647 . 0 0 "[ . ]" 1
217 1 13 DT H1' 1 13 DT H6 3.580 2.860 4.300 3.220 2.184 3.445 0.676 1 1 "[+ . ]" 1
218 1 13 DT H1' 1 14 DT H6 4.170 3.340 5.000 5.199 4.884 5.547 0.547 8 1 "[ . +]" 1
219 1 13 DT Q2' 1 13 DT H3' 2.810 2.250 3.110 2.415 2.399 2.425 . 0 0 "[ . ]" 1
220 1 13 DT Q2' 1 13 DT H6 4.110 3.290 4.360 3.954 3.368 4.084 . 0 0 "[ . ]" 1
221 1 13 DT Q2' 1 14 DT H6 . 3.390 3.500 2.650 2.270 3.040 1.120 4 6 "[-* +*** ]" 1
222 1 13 DT H3' 1 13 DT H4' 3.210 2.570 3.850 3.055 3.052 3.059 . 0 0 "[ . ]" 1
223 1 13 DT H3' 1 13 DT H6 3.540 2.830 4.250 3.262 2.866 4.786 0.536 1 1 "[+ . ]" 1
224 1 14 DT H1' 1 14 DT H2' 3.210 2.570 3.850 3.060 3.041 3.072 . 0 0 "[ . ]" 1
225 1 14 DT H1' 1 14 DT H2'' 2.690 2.150 3.230 2.433 2.422 2.447 . 0 0 "[ . ]" 1
226 1 14 DT H1' 1 14 DT H3' 3.390 2.710 4.070 3.494 3.347 3.585 . 0 0 "[ . ]" 1
227 1 14 DT H1' 1 14 DT H4' 3.720 2.980 4.460 3.339 3.216 3.429 . 0 0 "[ . ]" 1
228 1 14 DT H1' 1 14 DT H6 3.480 2.780 4.180 3.694 3.650 3.714 . 0 0 "[ . ]" 1
229 1 14 DT H1' 1 15 DT H6 4.420 3.180 5.660 3.284 3.019 3.659 0.161 6 0 "[ . ]" 1
230 1 14 DT H2' 1 14 DT H3' 2.770 2.220 3.320 2.574 2.535 2.618 . 0 0 "[ . ]" 1
231 1 14 DT H2' 1 14 DT H4' 4.340 3.040 5.640 3.614 3.602 3.618 . 0 0 "[ . ]" 1
232 1 14 DT H2' 1 14 DT H6 2.790 2.230 3.350 2.668 2.369 2.987 . 0 0 "[ . ]" 1
233 1 14 DT H2'' 1 14 DT H3' 3.030 2.420 3.640 2.660 2.644 2.675 . 0 0 "[ . ]" 1
234 1 14 DT H2'' 1 14 DT H4' 4.720 3.780 5.660 4.189 4.176 4.200 . 0 0 "[ . ]" 1
235 1 14 DT H2'' 1 14 DT H6 3.610 2.890 4.330 3.908 3.669 4.084 . 0 0 "[ . ]" 1
236 1 14 DT H3' 1 14 DT H4' 2.610 2.090 3.130 2.647 2.633 2.656 . 0 0 "[ . ]" 1
237 1 14 DT H3' 1 14 DT H6 4.190 3.350 5.030 4.803 4.614 5.083 0.053 4 0 "[ . ]" 1
238 1 14 DT H4' 1 15 DT H6 4.590 3.210 5.970 5.628 5.427 5.802 . 0 0 "[ . ]" 1
239 1 15 DT H1' 1 15 DT H2' 2.970 2.380 3.560 3.050 3.040 3.055 . 0 0 "[ . ]" 1
240 1 15 DT H1' 1 15 DT H2'' 2.330 . 2.800 2.465 2.446 2.478 . 0 0 "[ . ]" 1
241 1 15 DT H1' 1 15 DT H3' 3.890 3.110 4.670 3.432 3.395 3.473 . 0 0 "[ . ]" 1
242 1 15 DT H1' 1 15 DT H4' 3.660 2.930 4.390 3.167 3.078 3.280 . 0 0 "[ . ]" 1
243 1 15 DT H1' 1 15 DT H6 3.860 3.090 4.630 3.602 3.585 3.620 . 0 0 "[ . ]" 1
244 1 15 DT H2' 1 15 DT H3' 2.510 2.010 3.010 2.607 2.601 2.616 . 0 0 "[ . ]" 1
245 1 15 DT H2' 1 15 DT H4' 3.710 2.970 4.450 3.597 3.589 3.603 . 0 0 "[ . ]" 1
246 1 15 DT H2' 1 15 DT H6 2.360 . 2.830 3.170 3.097 3.248 0.418 7 0 "[ . ]" 1
247 1 15 DT H2'' 1 15 DT H3' 2.680 2.140 3.220 2.670 2.665 2.674 . 0 0 "[ . ]" 1
248 1 15 DT H2'' 1 15 DT H4' 4.070 3.260 4.880 4.159 4.147 4.173 . 0 0 "[ . ]" 1
249 1 15 DT H2'' 1 15 DT H6 3.710 2.970 4.450 4.261 4.213 4.292 . 0 0 "[ . ]" 1
250 1 15 DT H3' 1 15 DT H4' 2.690 2.150 3.230 2.662 2.635 2.678 . 0 0 "[ . ]" 1
251 1 15 DT H3' 1 15 DT H6 3.990 2.790 5.190 5.132 5.059 5.226 0.036 7 0 "[ . ]" 1
252 1 15 DT H4' 1 15 DT H6 4.460 3.570 5.350 4.258 4.172 4.345 . 0 0 "[ . ]" 1
253 1 16 DG H1 1 16 DG H21 3.000 2.100 3.900 2.351 2.336 2.367 . 0 0 "[ . ]" 1
254 1 16 DG H1 1 17 DG H1 4.000 2.800 5.200 4.028 3.835 4.121 . 0 0 "[ . ]" 1
255 1 16 DG H1' 1 16 DG H2' 2.990 2.390 3.590 3.042 3.037 3.047 . 0 0 "[ . ]" 1
256 1 16 DG H1' 1 16 DG H2'' 2.820 . 3.670 2.459 2.450 2.464 . 0 0 "[ . ]" 1
257 1 16 DG H1' 1 16 DG H3' 4.120 2.880 5.360 3.445 3.407 3.484 . 0 0 "[ . ]" 1
258 1 16 DG H1' 1 16 DG H8 3.910 3.130 4.690 3.924 3.906 3.945 . 0 0 "[ . ]" 1
259 1 16 DG H1' 1 17 DG H8 3.130 2.500 3.760 3.351 2.993 3.838 0.078 1 0 "[ . ]" 1
260 1 16 DG H2' 1 16 DG H3' 3.040 2.130 3.950 2.565 2.553 2.576 . 0 0 "[ . ]" 1
261 1 16 DG H2'' 1 16 DG H3' 2.870 2.300 3.440 2.666 2.661 2.669 . 0 0 "[ . ]" 1
262 1 16 DG H2'' 1 16 DG H8 3.370 2.700 4.040 3.972 3.773 4.131 0.091 1 0 "[ . ]" 1
263 1 16 DG H3' 1 16 DG H8 4.350 3.480 5.220 5.252 5.220 5.296 0.076 5 0 "[ . ]" 1
264 1 17 DG H1 1 18 DT H3 4.000 2.800 5.200 3.197 3.076 3.259 . 0 0 "[ . ]" 1
265 1 17 DG H1' 1 17 DG H2' 3.100 2.480 3.720 3.047 3.044 3.050 . 0 0 "[ . ]" 1
266 1 17 DG H1' 1 17 DG H2'' 2.510 2.010 3.010 2.449 2.434 2.462 . 0 0 "[ . ]" 1
267 1 17 DG H1' 1 17 DG H3' 3.890 3.110 4.670 3.497 3.444 3.577 . 0 0 "[ . ]" 1
268 1 17 DG H1' 1 17 DG H8 3.400 2.720 4.080 3.927 3.913 3.934 . 0 0 "[ . ]" 1
269 1 17 DG H1' 1 18 DT H6 3.310 2.650 3.970 3.204 3.103 3.309 . 0 0 "[ . ]" 1
270 1 17 DG H2' 1 17 DG H3' 2.620 2.100 3.140 2.560 2.529 2.578 . 0 0 "[ . ]" 1
271 1 17 DG H2' 1 17 DG H8 2.440 . 2.930 2.606 2.531 2.657 . 0 0 "[ . ]" 1
272 1 17 DG H2'' 1 17 DG H3' 2.880 2.300 3.460 2.646 2.643 2.648 . 0 0 "[ . ]" 1
273 1 17 DG H2'' 1 17 DG H8 3.660 2.930 4.390 3.730 3.545 3.861 . 0 0 "[ . ]" 1
274 1 17 DG H3' 1 17 DG H8 4.360 3.490 5.230 5.028 4.954 5.081 . 0 0 "[ . ]" 1
275 1 17 DG H8 1 18 DT H6 4.860 3.890 5.830 5.754 5.588 5.884 0.054 7 0 "[ . ]" 1
276 1 18 DT H1' 1 18 DT H2' 3.220 2.580 3.860 3.064 3.058 3.070 . 0 0 "[ . ]" 1
277 1 18 DT H1' 1 18 DT H2'' 2.580 2.060 3.100 2.448 2.444 2.459 . 0 0 "[ . ]" 1
278 1 18 DT H1' 1 18 DT H3' 3.610 2.530 4.690 3.554 3.497 3.595 . 0 0 "[ . ]" 1
279 1 18 DT H1' 1 18 DT H6 3.740 2.990 4.490 3.723 3.715 3.730 . 0 0 "[ . ]" 1
280 1 18 DT H1' 1 19 DA H8 3.750 3.000 4.500 4.534 4.049 4.787 0.287 4 0 "[ . ]" 1
281 1 18 DT H2' 1 18 DT H6 2.770 2.220 3.320 2.116 2.087 2.168 0.133 5 0 "[ . ]" 1
282 1 18 DT H2' 1 19 DA H8 3.840 3.070 4.610 4.105 3.945 4.372 . 0 0 "[ . ]" 1
283 1 18 DT H2'' 1 18 DT H3' 3.120 2.180 4.060 2.669 2.660 2.673 . 0 0 "[ . ]" 1
284 1 18 DT H2'' 1 18 DT H6 3.410 2.730 4.090 3.293 3.225 3.339 . 0 0 "[ . ]" 1
285 1 18 DT H2'' 1 19 DA H8 4.020 3.220 4.820 3.255 3.079 3.506 0.141 1 0 "[ . ]" 1
286 1 18 DT H3 1 19 DA H2 4.000 2.800 5.200 3.967 3.677 4.633 . 0 0 "[ . ]" 1
287 1 18 DT H3' 1 18 DT H6 4.140 3.310 4.970 4.535 4.479 4.611 . 0 0 "[ . ]" 1
288 1 18 DT H6 1 19 DA H8 4.930 3.940 5.920 4.012 3.867 4.274 0.073 5 0 "[ . ]" 1
289 1 19 DA H1' 1 19 DA H2' 3.610 2.890 4.330 2.995 2.979 3.047 . 0 0 "[ . ]" 1
290 1 19 DA H1' 1 19 DA H2'' 3.080 2.160 4.000 2.343 2.313 2.473 . 0 0 "[ . ]" 1
291 1 19 DA H1' 1 19 DA H3' 4.350 3.040 5.660 3.649 3.445 3.683 . 0 0 "[ . ]" 1
292 1 19 DA H1' 1 19 DA H8 3.990 3.190 4.790 3.891 3.878 3.905 . 0 0 "[ . ]" 1
293 1 19 DA H2 1 20 DG H1 4.000 3.100 4.900 4.530 4.343 4.755 . 0 0 "[ . ]" 1
294 1 19 DA H2' 1 19 DA H3' 3.140 2.200 4.080 2.245 2.183 2.574 0.017 5 0 "[ . ]" 1
295 1 19 DA H2' 1 19 DA H8 2.760 2.210 3.310 3.031 2.489 3.182 . 0 0 "[ . ]" 1
296 1 19 DA H2' 1 20 DG H8 3.540 2.830 4.250 3.031 2.642 5.070 0.820 1 1 "[+ . ]" 1
297 1 19 DA H2'' 1 19 DA H8 4.060 3.250 4.870 4.325 3.270 4.521 . 0 0 "[ . ]" 1
298 1 19 DA H2'' 1 20 DG H8 2.890 2.310 3.470 2.434 2.205 3.587 0.117 1 0 "[ . ]" 1
299 1 19 DA H3' 1 19 DA H8 4.790 3.830 5.750 3.896 3.650 5.011 0.180 4 0 "[ . ]" 1
300 1 19 DA H8 1 20 DG H8 4.990 3.990 5.990 4.982 4.883 5.111 . 0 0 "[ . ]" 1
301 1 20 DG H1 2 1 S2A H11 5.000 4.000 6.000 4.871 4.797 4.969 . 0 0 "[ . ]" 1
302 1 20 DG H1 2 1 S2A H12 5.500 4.400 6.600 5.740 5.563 5.934 . 0 0 "[ . ]" 1
303 1 20 DG H1 2 1 S2A H15 5.000 4.000 6.000 5.244 4.981 5.554 . 0 0 "[ . ]" 1
304 1 20 DG H1 2 1 S2A H17 4.500 3.600 5.400 5.236 5.006 5.511 0.111 1 0 "[ . ]" 1
305 1 20 DG H1 2 1 S2A H18 4.500 3.600 5.400 5.419 5.299 5.593 0.193 5 0 "[ . ]" 1
306 1 20 DG H1 2 1 S2A H19 4.000 3.200 4.800 4.833 4.748 4.923 0.123 5 0 "[ . ]" 1
307 1 20 DG H1 2 1 S2A H20 3.500 2.800 4.200 3.908 3.851 3.960 . 0 0 "[ . ]" 1
308 1 20 DG H1 2 1 S2A H22 3.500 2.800 4.200 3.937 3.901 3.961 . 0 0 "[ . ]" 1
309 1 20 DG H1' 1 20 DG H2' 3.110 2.490 3.730 2.716 2.711 2.722 . 0 0 "[ . ]" 1
310 1 20 DG H1' 1 20 DG H2'' 3.240 2.270 4.210 2.272 2.260 2.293 0.010 2 0 "[ . ]" 1
311 1 20 DG H1' 1 20 DG H3' 4.220 3.380 5.060 3.611 3.592 3.621 . 0 0 "[ . ]" 1
312 1 20 DG H1' 1 20 DG H8 3.890 3.110 4.670 3.806 3.780 3.874 . 0 0 "[ . ]" 1
313 1 20 DG H1' 2 1 S2A H20 5.350 4.280 6.420 6.368 6.032 6.495 0.075 5 0 "[ . ]" 1
314 1 20 DG H1' 2 1 S2A H22 4.960 3.970 5.950 5.360 5.221 5.487 . 0 0 "[ . ]" 1
315 1 20 DG H1' 2 1 S2A HW6 5.240 4.190 6.290 6.230 5.860 6.353 0.063 8 0 "[ . ]" 1
316 1 20 DG H1' 2 1 S2A HW7 5.030 4.020 6.040 4.834 4.801 4.885 . 0 0 "[ . ]" 1
317 1 20 DG H2' 1 20 DG H3' 2.530 2.020 3.040 2.594 2.590 2.604 . 0 0 "[ . ]" 1
318 1 20 DG H2' 1 20 DG H8 3.460 2.770 4.150 4.011 3.849 4.067 . 0 0 "[ . ]" 1
319 1 20 DG H2' 2 1 S2A HW6 3.480 2.780 4.180 3.529 3.167 3.642 . 0 0 "[ . ]" 1
320 1 20 DG H2' 2 1 S2A HW7 3.040 2.430 3.650 2.628 2.544 2.779 . 0 0 "[ . ]" 1
321 1 20 DG H2'' 1 20 DG H3' 3.330 2.660 4.000 3.042 3.040 3.045 . 0 0 "[ . ]" 1
322 1 20 DG H2'' 1 20 DG H8 3.880 3.110 4.650 4.718 4.642 4.744 0.094 7 0 "[ . ]" 1
323 1 20 DG H2'' 2 1 S2A HW6 4.890 3.910 5.870 4.803 4.447 4.904 . 0 0 "[ . ]" 1
324 1 20 DG H2'' 2 1 S2A HW7 4.410 3.530 5.290 3.775 3.688 3.911 . 0 0 "[ . ]" 1
325 1 20 DG H3' 1 20 DG H8 3.670 2.940 4.400 2.674 2.423 2.768 0.517 1 1 "[+ . ]" 1
326 1 20 DG H8 2 1 S2A H11 4.110 3.290 4.930 3.314 3.233 3.474 0.057 6 0 "[ . ]" 1
327 1 20 DG H8 2 1 S2A HW7 3.620 2.900 4.340 3.928 3.294 4.201 . 0 0 "[ . ]" 1
328 1 21 DG H1 1 22 DA H2 3.000 2.100 3.900 3.593 3.504 3.637 . 0 0 "[ . ]" 1
329 1 21 DG H1 2 1 S2A H13 5.500 4.400 6.600 6.268 6.145 6.335 . 0 0 "[ . ]" 1
330 1 21 DG H1 2 1 S2A H24 5.500 4.400 6.600 5.835 5.787 5.917 . 0 0 "[ . ]" 1
331 1 21 DG H1 2 1 S2A H25 3.750 3.000 4.500 4.024 3.894 4.162 . 0 0 "[ . ]" 1
332 1 21 DG H1 2 1 S2A HW1 3.750 3.000 4.500 4.219 4.031 4.307 . 0 0 "[ . ]" 1
333 1 21 DG H1 2 1 S2A HW3 4.500 3.600 5.400 4.714 4.462 4.881 . 0 0 "[ . ]" 1
334 1 21 DG H1 2 1 S2A HW4 5.000 4.000 6.000 5.287 5.107 5.572 . 0 0 "[ . ]" 1
335 1 21 DG H1 2 1 S2A HW6 5.500 4.400 6.600 6.218 6.046 6.546 . 0 0 "[ . ]" 1
336 1 21 DG H1' 1 21 DG H2' 3.160 2.530 3.790 3.045 3.042 3.047 . 0 0 "[ . ]" 1
337 1 21 DG H1' 1 21 DG H2'' 2.620 2.100 3.140 2.444 2.441 2.448 . 0 0 "[ . ]" 1
338 1 21 DG H1' 1 21 DG H8 3.810 3.050 4.570 3.919 3.916 3.923 . 0 0 "[ . ]" 1
339 1 21 DG H1' 1 22 DA H8 3.250 2.600 3.850 3.521 3.113 3.717 . 0 0 "[ . ]" 1
340 1 21 DG H1' 2 1 S2A HW4 4.070 3.260 4.880 3.830 3.702 3.992 . 0 0 "[ . ]" 1
341 1 21 DG H1' 2 1 S2A HW6 4.070 3.260 4.880 3.607 3.435 3.819 . 0 0 "[ . ]" 1
342 1 21 DG H2' 1 21 DG H3' 2.530 2.020 3.040 2.557 2.553 2.559 . 0 0 "[ . ]" 1
343 1 21 DG H2' 1 21 DG H8 2.710 2.170 3.250 2.563 2.491 2.592 . 0 0 "[ . ]" 1
344 1 21 DG H2' 2 1 S2A HW6 3.900 3.120 4.680 4.684 4.542 4.794 0.114 8 0 "[ . ]" 1
345 1 21 DG H2' 2 1 S2A HW7 4.160 3.330 4.990 4.746 4.674 4.867 . 0 0 "[ . ]" 1
346 1 21 DG H2'' 1 21 DG H3' 2.980 2.380 3.580 2.660 2.658 2.663 . 0 0 "[ . ]" 1
347 1 21 DG H2'' 1 21 DG H8 3.240 2.590 3.890 3.668 3.587 3.701 . 0 0 "[ . ]" 1
348 1 21 DG H3' 1 21 DG H8 4.730 3.780 5.680 5.001 4.952 5.024 . 0 0 "[ . ]" 1
349 1 21 DG H8 2 1 S2A HW6 3.710 2.970 4.450 3.919 3.654 4.117 . 0 0 "[ . ]" 1
350 1 21 DG H8 2 1 S2A HW7 3.270 2.620 3.920 3.075 3.021 3.163 . 0 0 "[ . ]" 1
351 1 22 DA H1' 1 22 DA H2' 2.880 2.300 3.460 3.053 3.051 3.057 . 0 0 "[ . ]" 1
352 1 22 DA H1' 1 22 DA H2'' 2.520 2.020 3.020 2.467 2.443 2.475 . 0 0 "[ . ]" 1
353 1 22 DA H1' 1 22 DA H3' 4.170 3.340 5.000 3.553 3.503 3.638 . 0 0 "[ . ]" 1
354 1 22 DA H1' 1 22 DA H8 3.670 2.940 4.400 3.866 3.849 3.901 . 0 0 "[ . ]" 1
355 1 22 DA H1' 1 23 DT H6 3.740 2.990 4.490 3.221 3.064 3.316 . 0 0 "[ . ]" 1
356 1 22 DA H2 1 23 DT H1' 4.710 3.870 5.550 5.406 4.707 5.653 0.103 7 0 "[ . ]" 1
357 1 22 DA H2 1 23 DT H3 4.000 2.800 5.200 2.890 2.755 3.165 0.045 2 0 "[ . ]" 1
358 1 22 DA H2' 1 22 DA H3' 2.840 2.270 3.410 2.534 2.505 2.549 . 0 0 "[ . ]" 1
359 1 22 DA H2' 1 22 DA H8 2.550 2.040 3.060 2.323 2.282 2.358 . 0 0 "[ . ]" 1
360 1 22 DA H2' 1 23 DT H6 4.250 2.970 5.530 5.201 4.627 5.429 . 0 0 "[ . ]" 1
361 1 22 DA H2'' 1 22 DA H8 3.020 2.420 3.620 3.269 3.180 3.453 . 0 0 "[ . ]" 1
362 1 22 DA H2'' 1 23 DT H6 3.470 2.780 4.160 3.568 2.960 3.812 . 0 0 "[ . ]" 1
363 1 22 DA H3' 1 22 DA H8 4.790 3.830 5.750 4.825 4.732 4.876 . 0 0 "[ . ]" 1
364 1 22 DA H8 1 23 DT H6 4.980 3.980 5.980 6.003 5.511 6.237 0.257 4 0 "[ . ]" 1
365 1 23 DT H1' 1 23 DT H2' 3.020 2.420 3.620 3.077 3.068 3.082 . 0 0 "[ . ]" 1
366 1 23 DT H1' 1 23 DT H2'' 2.470 . 2.960 2.466 2.455 2.483 . 0 0 "[ . ]" 1
367 1 23 DT H1' 1 23 DT H3' 4.010 3.210 4.810 3.616 3.512 3.691 . 0 0 "[ . ]" 1
368 1 23 DT H1' 1 23 DT H6 3.620 2.900 4.340 3.735 3.727 3.744 . 0 0 "[ . ]" 1
369 1 23 DT H1' 1 24 DG H8 3.220 2.580 3.860 2.663 2.482 2.744 0.098 6 0 "[ . ]" 1
370 1 23 DT H2' 1 23 DT H3' 2.750 2.200 3.300 2.474 2.437 2.530 . 0 0 "[ . ]" 1
371 1 23 DT H2' 1 23 DT H6 2.550 2.040 3.060 2.026 1.990 2.114 0.050 4 0 "[ . ]" 1
372 1 23 DT H2' 1 24 DG H8 3.860 3.090 4.630 3.999 3.775 4.469 . 0 0 "[ . ]" 1
373 1 23 DT H2'' 1 23 DT H3' 3.210 2.570 3.850 2.669 2.662 2.676 . 0 0 "[ . ]" 1
374 1 23 DT H2'' 1 23 DT H6 3.110 2.490 3.730 3.180 3.146 3.229 . 0 0 "[ . ]" 1
375 1 23 DT H2'' 1 24 DG H8 2.730 2.180 3.280 2.430 2.223 2.845 . 0 0 "[ . ]" 1
376 1 23 DT H3 1 24 DG H1 4.000 2.800 5.200 4.396 4.328 4.466 . 0 0 "[ . ]" 1
377 1 23 DT H3' 1 23 DT H6 3.940 3.150 4.730 4.444 4.348 4.592 . 0 0 "[ . ]" 1
378 1 23 DT H6 1 24 DG H8 4.940 3.950 5.930 4.605 4.293 5.278 . 0 0 "[ . ]" 1
379 1 24 DG H1 1 24 DG H21 3.000 2.100 3.900 2.450 2.396 2.510 . 0 0 "[ . ]" 1
380 1 24 DG H1 1 25 DG H1 4.000 2.800 5.200 3.941 3.751 4.108 . 0 0 "[ . ]" 1
381 1 24 DG H1' 1 24 DG H2' 3.210 2.570 3.850 3.053 3.048 3.058 . 0 0 "[ . ]" 1
382 1 24 DG H1' 1 24 DG H2'' 2.560 2.050 3.070 2.460 2.439 2.470 . 0 0 "[ . ]" 1
383 1 24 DG H1' 1 24 DG H3' 4.240 3.390 5.090 3.556 3.528 3.631 . 0 0 "[ . ]" 1
384 1 24 DG H1' 1 24 DG H8 3.770 3.020 4.520 3.929 3.925 3.937 . 0 0 "[ . ]" 1
385 1 24 DG H1' 1 25 DG H8 2.920 2.340 3.500 2.894 2.764 3.039 . 0 0 "[ . ]" 1
386 1 24 DG H2' 1 24 DG H3' 2.670 2.140 3.200 2.538 2.505 2.548 . 0 0 "[ . ]" 1
387 1 24 DG H2' 1 24 DG H8 2.600 2.080 3.120 2.609 2.577 2.670 . 0 0 "[ . ]" 1
388 1 24 DG H2' 1 25 DG H8 3.780 3.020 4.540 4.196 3.885 4.413 . 0 0 "[ . ]" 1
389 1 24 DG H2'' 1 24 DG H3' 2.890 2.310 3.470 2.680 2.673 2.688 . 0 0 "[ . ]" 1
390 1 24 DG H2'' 1 24 DG H8 3.490 2.790 4.190 3.789 3.737 3.857 . 0 0 "[ . ]" 1
391 1 24 DG H2'' 1 25 DG H8 2.810 2.250 3.370 2.487 2.204 2.685 0.046 3 0 "[ . ]" 1
392 1 24 DG H3' 1 24 DG H8 4.420 3.540 5.300 4.980 4.874 5.028 . 0 0 "[ . ]" 1
393 1 25 DG H1' 1 25 DG H2' 3.330 2.660 4.000 3.047 3.037 3.056 . 0 0 "[ . ]" 1
394 1 25 DG H1' 1 25 DG H2'' 2.860 2.290 3.430 2.406 2.389 2.420 . 0 0 "[ . ]" 1
395 1 25 DG H1' 1 25 DG H3' 4.060 3.250 4.870 3.646 3.593 3.698 . 0 0 "[ . ]" 1
396 1 25 DG H1' 1 25 DG H8 3.870 3.100 4.640 3.913 3.902 3.923 . 0 0 "[ . ]" 1
397 1 25 DG H2' 1 25 DG H3' 2.750 2.200 3.300 2.511 2.496 2.527 . 0 0 "[ . ]" 1
398 1 25 DG H2' 1 25 DG H8 3.070 2.150 3.990 2.459 2.333 2.572 . 0 0 "[ . ]" 1
399 1 25 DG H2'' 1 25 DG H3' 2.840 2.270 3.410 2.680 2.671 2.684 . 0 0 "[ . ]" 1
400 1 25 DG H2'' 1 25 DG H8 3.930 3.140 4.720 3.727 3.605 3.801 . 0 0 "[ . ]" 1
401 1 25 DG H3' 1 25 DG H8 4.100 3.280 4.920 4.797 4.681 4.910 . 0 0 "[ . ]" 1
402 2 1 S2A H11 2 1 S2A H12 2.630 2.100 3.160 2.253 2.250 2.258 . 0 0 "[ . ]" 1
403 2 1 S2A H11 2 1 S2A H22 2.920 2.340 3.500 2.980 2.961 2.992 . 0 0 "[ . ]" 1
404 2 1 S2A H12 2 1 S2A H13 3.040 2.430 3.650 3.042 3.039 3.044 . 0 0 "[ . ]" 1
405 2 1 S2A H12 2 1 S2A H24 2.640 2.110 3.170 2.623 2.618 2.626 . 0 0 "[ . ]" 1
406 2 1 S2A H12 2 1 S2A H26 3.720 2.980 4.460 3.544 3.421 3.608 . 0 0 "[ . ]" 1
407 2 1 S2A H13 2 1 S2A H15 3.010 2.410 3.610 2.970 2.962 2.993 . 0 0 "[ . ]" 1
408 2 1 S2A H13 2 1 S2A H24 3.110 2.490 3.730 2.976 2.967 2.989 . 0 0 "[ . ]" 1
409 2 1 S2A H13 2 1 S2A H26 3.480 2.780 4.180 3.357 3.344 3.384 . 0 0 "[ . ]" 1
410 2 1 S2A H13 2 1 S2A H30 2.410 . 2.890 2.058 1.943 2.111 . 0 0 "[ . ]" 1
411 2 1 S2A H15 2 1 S2A H17 2.770 2.220 3.320 2.415 2.407 2.428 . 0 0 "[ . ]" 1
412 2 1 S2A H15 2 1 S2A H30 2.240 . 2.690 2.058 1.969 2.326 . 0 0 "[ . ]" 1
413 2 1 S2A H17 2 1 S2A H30 4.210 3.370 5.050 4.144 4.038 4.463 . 0 0 "[ . ]" 1
414 2 1 S2A H18 2 1 S2A H19 2.490 . 2.990 2.475 2.473 2.477 . 0 0 "[ . ]" 1
415 2 1 S2A H19 2 1 S2A H20 2.460 . 2.950 2.479 2.476 2.482 . 0 0 "[ . ]" 1
416 2 1 S2A H20 2 1 S2A H22 2.600 2.080 3.120 2.445 2.432 2.452 . 0 0 "[ . ]" 1
417 2 1 S2A H24 2 1 S2A H25 2.590 2.070 3.110 2.587 2.585 2.589 . 0 0 "[ . ]" 1
418 2 1 S2A H24 2 1 S2A H26 3.970 3.180 4.760 3.849 3.739 3.911 . 0 0 "[ . ]" 1
419 2 1 S2A H26 2 1 S2A H27 2.610 2.090 3.130 2.454 2.451 2.456 . 0 0 "[ . ]" 1
420 2 1 S2A H27 2 1 S2A H28 3.180 2.540 3.820 3.079 3.076 3.085 . 0 0 "[ . ]" 1
421 2 1 S2A H28 2 1 S2A H29 2.720 2.180 3.260 2.458 2.451 2.464 . 0 0 "[ . ]" 1
422 2 1 S2A H28 2 1 S2A H30 2.770 2.220 3.320 2.533 2.531 2.537 . 0 0 "[ . ]" 1
423 2 1 S2A H29 2 1 S2A H30 2.560 2.050 3.070 2.502 2.500 2.504 . 0 0 "[ . ]" 1
424 2 1 S2A HW3 2 1 S2A HW4 2.540 2.030 3.050 2.473 2.472 2.474 . 0 0 "[ . ]" 1
425 2 1 S2A HW4 2 1 S2A HW6 2.690 2.150 3.230 2.494 2.490 2.497 . 0 0 "[ . ]" 1
426 2 1 S2A HW6 2 1 S2A HW7 2.550 2.040 3.060 2.410 2.409 2.412 . 0 0 "[ . ]" 1
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