NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
432408 |
2jsl   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jsl
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 238
_Distance_constraint_stats_list.Viol_count 436
_Distance_constraint_stats_list.Viol_total 283.172
_Distance_constraint_stats_list.Viol_max 0.280
_Distance_constraint_stats_list.Viol_rms 0.0332
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0119
_Distance_constraint_stats_list.Viol_average_violations_only 0.0649
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 DT 2.908 0.280 3 0 "[ . 1]"
1 2 DA 2.631 0.280 3 0 "[ . 1]"
1 3 DG 0.381 0.082 2 0 "[ . 1]"
1 4 DG 1.457 0.201 10 0 "[ . 1]"
1 5 DG 0.008 0.008 6 0 "[ . 1]"
1 6 DT 0.571 0.087 6 0 "[ . 1]"
1 7 DT 1.468 0.178 8 0 "[ . 1]"
1 8 DA 2.099 0.111 5 0 "[ . 1]"
1 9 DG 0.000 0.000 . 0 "[ . 1]"
1 10 DG 1.462 0.156 3 0 "[ . 1]"
1 11 DG 0.218 0.151 8 0 "[ . 1]"
1 12 DT 0.980 0.108 1 0 "[ . 1]"
1 13 DT 1.667 0.140 1 0 "[ . 1]"
1 14 DA 0.128 0.069 2 0 "[ . 1]"
1 15 DG 0.951 0.070 2 0 "[ . 1]"
1 16 DG 3.773 0.172 6 0 "[ . 1]"
1 17 DG 4.069 0.172 6 0 "[ . 1]"
1 18 DT 1.299 0.173 9 0 "[ . 1]"
1 19 DT 2.506 0.266 8 0 "[ . 1]"
1 20 DA 3.013 0.266 8 0 "[ . 1]"
1 21 DG 0.349 0.070 6 0 "[ . 1]"
1 22 DG 1.754 0.139 6 0 "[ . 1]"
1 23 DG 3.449 0.196 10 0 "[ . 1]"
1 24 DT 1.829 0.137 7 0 "[ . 1]"
1 25 DT 0.604 0.082 10 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 DT H1' 1 1 DT H2' 2.820 . 3.660 3.021 2.979 3.053 . 0 0 "[ . 1]" 1
2 1 1 DT H1' 1 1 DT H2'' 2.350 . 3.060 2.357 2.333 2.394 . 0 0 "[ . 1]" 1
3 1 1 DT H1' 1 1 DT Q5' 3.750 2.620 4.880 4.037 3.798 4.332 . 0 0 "[ . 1]" 1
4 1 1 DT H1' 1 1 DT H6 3.140 2.200 4.080 3.507 3.398 3.630 . 0 0 "[ . 1]" 1
5 1 1 DT H1' 1 2 DA H8 3.990 2.790 5.190 5.001 4.465 5.289 0.099 1 0 "[ . 1]" 1
6 1 1 DT H1' 1 11 DG H1 3.500 2.450 4.550 4.247 3.723 4.578 0.028 3 0 "[ . 1]" 1
7 1 1 DT H2' 1 1 DT H3' 2.650 . 3.450 2.337 2.323 2.349 . 0 0 "[ . 1]" 1
8 1 1 DT H2' 1 1 DT H6 2.780 . 3.610 3.446 3.160 3.686 0.076 4 0 "[ . 1]" 1
9 1 1 DT H2' 1 2 DA H8 3.790 2.650 4.930 2.980 2.630 3.279 0.020 3 0 "[ . 1]" 1
10 1 1 DT H2'' 1 2 DA H8 3.210 2.250 4.170 2.810 2.197 3.204 0.053 3 0 "[ . 1]" 1
11 1 1 DT H3' 1 1 DT H6 3.390 2.370 4.410 4.400 3.667 4.610 0.200 2 0 "[ . 1]" 1
12 1 1 DT H3' 1 2 DA H8 3.260 2.280 4.240 2.713 2.217 3.950 0.063 1 0 "[ . 1]" 1
13 1 1 DT H4' 1 1 DT H6 3.960 2.770 5.150 4.200 3.708 4.469 . 0 0 "[ . 1]" 1
14 1 1 DT H4' 1 2 DA H8 3.660 2.560 4.760 4.923 4.846 5.040 0.280 3 0 "[ . 1]" 1
15 1 1 DT Q5' 1 1 DT H6 3.100 2.170 4.030 3.010 2.051 3.428 0.119 4 0 "[ . 1]" 1
16 1 1 DT H6 1 2 DA H8 5.240 3.670 6.810 6.265 5.838 6.405 . 0 0 "[ . 1]" 1
17 1 2 DA H1' 1 2 DA Q2' 2.380 . 3.100 2.290 2.221 2.314 . 0 0 "[ . 1]" 1
18 1 2 DA H1' 1 2 DA H8 3.140 2.200 4.080 3.842 3.800 3.901 . 0 0 "[ . 1]" 1
19 1 2 DA Q2' 1 2 DA H8 2.680 . 3.480 2.920 2.195 3.134 . 0 0 "[ . 1]" 1
20 1 2 DA H3' 1 2 DA H8 3.510 2.460 4.560 4.312 2.642 4.625 0.065 5 0 "[ . 1]" 1
21 1 2 DA H4' 1 2 DA H8 3.420 2.390 4.450 4.353 4.183 4.687 0.237 4 0 "[ . 1]" 1
22 1 3 DG H1' 1 3 DG H2' 2.750 . 3.580 3.067 3.064 3.069 . 0 0 "[ . 1]" 1
23 1 3 DG H1' 1 3 DG H2'' 2.540 . 3.300 2.437 2.430 2.448 . 0 0 "[ . 1]" 1
24 1 3 DG H1' 1 3 DG H8 2.410 . 3.130 2.534 2.521 2.545 . 0 0 "[ . 1]" 1
25 1 3 DG H1' 1 4 DG H8 3.340 2.340 4.340 3.994 3.701 4.116 . 0 0 "[ . 1]" 1
26 1 3 DG H2' 1 3 DG H3' 2.570 . 3.340 2.405 2.377 2.423 . 0 0 "[ . 1]" 1
27 1 3 DG H2' 1 3 DG H8 3.750 2.630 4.870 4.538 4.455 4.610 . 0 0 "[ . 1]" 1
28 1 3 DG H2' 1 4 DG H8 2.830 . 3.680 2.783 2.688 2.967 . 0 0 "[ . 1]" 1
29 1 3 DG H2'' 1 3 DG H3' 2.680 . 3.480 2.703 2.680 2.733 . 0 0 "[ . 1]" 1
30 1 3 DG H2'' 1 3 DG H8 3.330 2.330 4.330 4.050 3.926 4.184 . 0 0 "[ . 1]" 1
31 1 3 DG H2'' 1 4 DG H8 2.590 . 3.370 2.104 1.940 2.180 . 0 0 "[ . 1]" 1
32 1 3 DG H3' 1 4 DG H8 3.400 2.380 4.420 4.446 4.426 4.502 0.082 2 0 "[ . 1]" 1
33 1 3 DG H8 1 4 DG H1' 3.120 2.190 4.050 3.811 3.613 4.121 0.071 6 0 "[ . 1]" 1
34 1 4 DG H1 1 5 DG H1 3.500 2.450 4.550 3.978 3.709 4.188 . 0 0 "[ . 1]" 1
35 1 4 DG H1 1 10 DG H8 5.000 . 6.500 5.392 5.301 5.506 . 0 0 "[ . 1]" 1
36 1 4 DG H1 1 11 DG H1 3.500 2.450 4.550 3.054 2.861 3.132 . 0 0 "[ . 1]" 1
37 1 4 DG H1' 1 4 DG H2' 2.530 . 3.290 3.066 3.061 3.081 . 0 0 "[ . 1]" 1
38 1 4 DG H1' 1 4 DG H2'' 2.510 . 3.260 2.435 2.422 2.487 . 0 0 "[ . 1]" 1
39 1 4 DG H1' 1 4 DG H8 3.540 2.480 4.600 3.870 3.826 3.886 . 0 0 "[ . 1]" 1
40 1 4 DG H1' 1 5 DG H8 3.260 2.280 4.240 3.123 2.272 3.424 0.008 6 0 "[ . 1]" 1
41 1 4 DG H2' 1 4 DG H8 2.590 . 3.370 2.288 2.093 2.359 . 0 0 "[ . 1]" 1
42 1 4 DG H2'' 1 4 DG H8 2.840 . 3.690 3.654 3.274 3.765 0.075 5 0 "[ . 1]" 1
43 1 4 DG H3' 1 4 DG H8 3.280 2.300 4.260 4.321 4.276 4.461 0.201 10 0 "[ . 1]" 1
44 1 5 DG H1 1 8 DA H8 4.500 3.150 5.850 4.953 4.796 5.211 . 0 0 "[ . 1]" 1
45 1 5 DG H1' 1 5 DG Q2' 2.420 . 3.150 2.349 2.343 2.360 . 0 0 "[ . 1]" 1
46 1 5 DG H1' 1 5 DG H8 3.290 2.300 4.280 3.905 3.899 3.919 . 0 0 "[ . 1]" 1
47 1 5 DG Q2' 1 5 DG H8 2.350 . 3.050 2.673 2.471 2.735 . 0 0 "[ . 1]" 1
48 1 6 DT H1' 1 6 DT H2' 2.850 . 3.710 3.064 3.062 3.067 . 0 0 "[ . 1]" 1
49 1 6 DT H1' 1 6 DT H2'' 2.540 . 3.300 2.430 2.424 2.437 . 0 0 "[ . 1]" 1
50 1 6 DT H1' 1 6 DT H6 3.350 2.350 4.350 3.590 3.470 3.668 . 0 0 "[ . 1]" 1
51 1 6 DT H1' 1 7 DT H6 4.120 2.890 5.350 5.355 5.147 5.395 0.045 5 0 "[ . 1]" 1
52 1 6 DT H2' 1 6 DT H6 2.650 . 3.450 3.179 2.811 3.511 0.061 6 0 "[ . 1]" 1
53 1 6 DT H3' 1 6 DT H6 3.790 2.650 4.930 4.761 4.474 5.017 0.087 6 0 "[ . 1]" 1
54 1 6 DT H4' 1 6 DT H6 3.310 2.320 4.300 4.269 4.187 4.334 0.034 8 0 "[ . 1]" 1
55 1 7 DT H1' 1 7 DT H2'' 2.600 . 3.380 2.382 2.375 2.395 . 0 0 "[ . 1]" 1
56 1 7 DT H1' 1 7 DT H6 3.230 2.260 4.200 3.659 3.647 3.664 . 0 0 "[ . 1]" 1
57 1 7 DT H2' 1 7 DT H6 2.540 . 3.300 1.886 1.860 1.949 . 0 0 "[ . 1]" 1
58 1 7 DT H2'' 1 7 DT H6 2.540 . 3.300 3.421 3.400 3.478 0.178 8 0 "[ . 1]" 1
59 1 7 DT H3' 1 7 DT H6 3.560 2.490 4.630 3.678 3.652 3.700 . 0 0 "[ . 1]" 1
60 1 8 DA H1' 1 8 DA H2' 2.600 . 3.380 3.061 3.054 3.064 . 0 0 "[ . 1]" 1
61 1 8 DA H1' 1 8 DA H2'' 2.460 . 3.200 2.424 2.407 2.433 . 0 0 "[ . 1]" 1
62 1 8 DA H1' 1 8 DA H8 3.110 2.180 4.040 3.695 3.670 3.749 . 0 0 "[ . 1]" 1
63 1 8 DA H2 1 17 DG H1' 3.540 2.480 4.600 4.567 4.207 4.666 0.066 1 0 "[ . 1]" 1
64 1 8 DA H2 1 17 DG H2' 2.810 . 3.650 1.975 1.915 2.047 0.055 9 0 "[ . 1]" 1
65 1 8 DA H2 1 17 DG H2'' 2.750 . 3.570 3.404 2.970 3.616 0.046 9 0 "[ . 1]" 1
66 1 8 DA H2 1 17 DG H3' 3.520 2.460 4.580 3.785 3.238 4.240 . 0 0 "[ . 1]" 1
67 1 8 DA H2' 1 8 DA H8 2.750 . 3.570 3.580 3.494 3.626 0.056 1 0 "[ . 1]" 1
68 1 8 DA H3' 1 8 DA Q5' 2.700 2.170 3.510 2.355 2.126 2.594 0.044 7 0 "[ . 1]" 1
69 1 8 DA H3' 1 8 DA H8 3.910 2.740 5.080 5.155 5.100 5.191 0.111 5 0 "[ . 1]" 1
70 1 8 DA Q5' 1 8 DA H8 3.670 2.570 3.910 2.910 2.643 3.040 . 0 0 "[ . 1]" 1
71 1 8 DA Q6 1 17 DG H1 3.500 2.450 4.550 3.609 3.408 4.067 . 0 0 "[ . 1]" 1
72 1 8 DA Q6 1 23 DG H1 5.000 . 6.500 5.881 5.829 5.922 . 0 0 "[ . 1]" 1
73 1 8 DA H8 1 9 DG H1 4.500 3.150 5.850 3.875 3.511 4.240 . 0 0 "[ . 1]" 1
74 1 8 DA H8 1 17 DG H1 4.500 3.150 5.850 5.918 5.876 5.957 0.107 7 0 "[ . 1]" 1
75 1 9 DG H1 1 17 DG H8 5.000 . 6.500 5.346 5.244 5.574 . 0 0 "[ . 1]" 1
76 1 9 DG H1' 1 9 DG H2' 2.780 . 3.620 2.811 2.785 2.877 . 0 0 "[ . 1]" 1
77 1 9 DG H1' 1 9 DG H2'' 2.660 . 3.460 2.336 2.315 2.348 . 0 0 "[ . 1]" 1
78 1 9 DG H1' 1 9 DG H8 2.460 . 3.200 2.538 2.514 2.571 . 0 0 "[ . 1]" 1
79 1 9 DG H2' 1 9 DG H3' 2.640 . 3.430 2.405 2.382 2.422 . 0 0 "[ . 1]" 1
80 1 9 DG H2' 1 9 DG H8 3.820 2.670 4.970 3.670 3.582 3.879 . 0 0 "[ . 1]" 1
81 1 9 DG H2'' 1 9 DG H3' 2.720 . 3.540 3.049 3.034 3.058 . 0 0 "[ . 1]" 1
82 1 9 DG H2'' 1 9 DG H8 3.510 2.460 4.560 4.171 4.133 4.207 . 0 0 "[ . 1]" 1
83 1 9 DG H3' 1 9 DG H8 4.350 3.050 5.650 5.226 5.099 5.488 . 0 0 "[ . 1]" 1
84 1 10 DG H1 1 15 DG H1 3.500 2.450 4.550 3.569 3.502 3.679 . 0 0 "[ . 1]" 1
85 1 10 DG H1' 1 10 DG H2' 2.490 . 3.240 3.063 3.058 3.067 . 0 0 "[ . 1]" 1
86 1 10 DG H1' 1 10 DG H2'' 2.550 . 3.310 2.437 2.424 2.452 . 0 0 "[ . 1]" 1
87 1 10 DG H1' 1 10 DG H8 2.420 . 3.140 2.624 2.614 2.652 . 0 0 "[ . 1]" 1
88 1 10 DG H1' 1 11 DG H8 3.830 2.680 4.980 4.581 4.448 4.674 . 0 0 "[ . 1]" 1
89 1 10 DG H2' 1 10 DG H8 3.140 2.200 4.080 4.007 3.927 4.055 . 0 0 "[ . 1]" 1
90 1 10 DG H2'' 1 10 DG H8 3.090 2.160 4.020 3.316 3.284 3.328 . 0 0 "[ . 1]" 1
91 1 10 DG H3' 1 10 DG H8 4.240 2.970 5.510 5.656 5.640 5.666 0.156 3 0 "[ . 1]" 1
92 1 10 DG H3' 1 11 DG H8 3.610 2.530 4.690 3.636 3.500 3.818 . 0 0 "[ . 1]" 1
93 1 10 DG H8 1 11 DG H1' 3.920 2.740 5.100 4.591 4.335 5.103 0.003 1 0 "[ . 1]" 1
94 1 11 DG H1' 1 11 DG H2' 2.510 . 3.260 3.045 2.892 3.068 . 0 0 "[ . 1]" 1
95 1 11 DG H1' 1 11 DG H2'' 2.510 . 3.260 2.411 2.328 2.434 . 0 0 "[ . 1]" 1
96 1 11 DG H1' 1 11 DG H8 3.360 2.350 4.370 3.848 3.742 3.883 . 0 0 "[ . 1]" 1
97 1 11 DG H2' 1 11 DG H3' 2.490 . 3.240 2.369 2.327 2.387 . 0 0 "[ . 1]" 1
98 1 11 DG H2' 1 11 DG H8 2.310 . 3.000 2.135 2.046 2.207 . 0 0 "[ . 1]" 1
99 1 11 DG H2'' 1 11 DG H3' 2.700 . 3.510 2.771 2.714 3.022 . 0 0 "[ . 1]" 1
100 1 11 DG H2'' 1 11 DG H8 2.770 . 3.600 3.455 3.050 3.751 0.151 8 0 "[ . 1]" 1
101 1 11 DG H3' 1 11 DG H4' 2.860 . 3.720 2.817 2.762 3.012 . 0 0 "[ . 1]" 1
102 1 11 DG H3' 1 11 DG H8 3.390 2.370 4.410 4.149 2.662 4.412 0.002 3 0 "[ . 1]" 1
103 1 11 DG H3' 1 12 DT H6 4.180 2.930 5.430 4.964 4.794 5.405 . 0 0 "[ . 1]" 1
104 1 12 DT H1' 1 12 DT H2' 2.660 . 3.460 2.867 2.854 2.936 . 0 0 "[ . 1]" 1
105 1 12 DT H1' 1 12 DT H2'' 2.320 . 3.020 2.333 2.322 2.335 . 0 0 "[ . 1]" 1
106 1 12 DT H1' 1 12 DT H6 3.210 2.250 4.170 3.715 3.692 3.724 . 0 0 "[ . 1]" 1
107 1 12 DT H1' 1 13 DT H6 3.550 2.480 4.620 4.501 4.374 4.643 0.023 1 0 "[ . 1]" 1
108 1 12 DT H2' 1 12 DT H6 2.630 . 3.420 2.508 2.417 2.636 . 0 0 "[ . 1]" 1
109 1 12 DT H2' 1 13 DT H6 3.150 2.200 4.100 2.236 2.173 2.386 0.027 2 0 "[ . 1]" 1
110 1 12 DT H2'' 1 12 DT H6 2.920 2.040 3.800 3.848 3.805 3.908 0.108 1 0 "[ . 1]" 1
111 1 12 DT H2'' 1 13 DT H6 3.010 2.110 3.910 3.435 3.251 3.651 . 0 0 "[ . 1]" 1
112 1 12 DT H3' 1 12 DT H6 3.130 2.190 4.070 2.194 2.118 2.648 0.072 5 0 "[ . 1]" 1
113 1 12 DT H3' 1 13 DT H6 3.820 2.680 4.960 4.326 4.134 4.460 . 0 0 "[ . 1]" 1
114 1 12 DT H4' 1 12 DT H6 3.690 2.580 4.800 4.399 4.318 4.450 . 0 0 "[ . 1]" 1
115 1 13 DT H1' 1 13 DT H2' 2.820 . 3.670 2.852 2.804 2.904 . 0 0 "[ . 1]" 1
116 1 13 DT H1' 1 13 DT H2'' 2.560 . 3.330 2.310 2.302 2.318 . 0 0 "[ . 1]" 1
117 1 13 DT H1' 1 13 DT H6 3.000 2.100 3.900 3.647 3.609 3.682 . 0 0 "[ . 1]" 1
118 1 13 DT H2' 1 13 DT H6 2.900 2.030 3.770 2.006 1.961 2.086 0.069 8 0 "[ . 1]" 1
119 1 13 DT H2' 1 14 DA H8 3.860 2.700 5.020 4.962 4.564 5.089 0.069 2 0 "[ . 1]" 1
120 1 13 DT H2'' 1 13 DT H6 2.900 2.030 3.770 3.575 3.546 3.629 . 0 0 "[ . 1]" 1
121 1 13 DT H3' 1 13 DT H6 3.840 2.690 4.990 2.580 2.550 2.609 0.140 1 0 "[ . 1]" 1
122 1 13 DT Q5' 1 13 DT H6 3.360 2.430 4.370 3.695 3.143 3.895 . 0 0 "[ . 1]" 1
123 1 14 DA H1' 1 14 DA Q2' 2.570 . 3.340 2.249 2.231 2.323 . 0 0 "[ . 1]" 1
124 1 14 DA H1' 1 14 DA H8 3.220 2.250 4.190 3.892 3.881 3.898 . 0 0 "[ . 1]" 1
125 1 14 DA H1' 1 15 DG H1 5.000 . 6.500 6.136 5.678 6.267 . 0 0 "[ . 1]" 1
126 1 14 DA Q2' 1 14 DA H8 3.010 2.110 3.910 2.751 2.181 3.005 . 0 0 "[ . 1]" 1
127 1 14 DA H2' 1 15 DG H1 5.000 . 6.500 4.081 3.888 4.163 . 0 0 "[ . 1]" 1
128 1 14 DA H2'' 1 15 DG H1 5.000 . 6.500 5.532 4.432 5.873 . 0 0 "[ . 1]" 1
129 1 14 DA H3' 1 14 DA H8 3.520 2.460 4.580 3.196 2.914 4.202 . 0 0 "[ . 1]" 1
130 1 14 DA H3' 1 15 DG H1 5.000 . 6.500 5.433 5.163 6.311 . 0 0 "[ . 1]" 1
131 1 15 DG H1' 1 15 DG H2' 2.850 . 3.700 3.064 3.064 3.066 . 0 0 "[ . 1]" 1
132 1 15 DG H1' 1 15 DG H2'' 2.700 . 3.510 2.430 2.427 2.435 . 0 0 "[ . 1]" 1
133 1 15 DG H1' 1 15 DG H8 2.560 . 3.330 2.513 2.507 2.523 . 0 0 "[ . 1]" 1
134 1 15 DG H1' 1 16 DG H8 3.390 2.370 4.410 3.854 3.794 4.007 . 0 0 "[ . 1]" 1
135 1 15 DG H2' 1 15 DG H3' 2.460 . 3.200 2.364 2.359 2.368 . 0 0 "[ . 1]" 1
136 1 15 DG H2' 1 15 DG H8 3.620 2.530 4.710 4.440 4.427 4.457 . 0 0 "[ . 1]" 1
137 1 15 DG H2' 1 16 DG H8 2.800 . 3.640 2.796 2.732 2.880 . 0 0 "[ . 1]" 1
138 1 15 DG H2'' 1 15 DG H3' 2.440 . 3.170 2.748 2.737 2.761 . 0 0 "[ . 1]" 1
139 1 15 DG H2'' 1 15 DG H8 3.740 2.620 4.860 3.884 3.857 3.919 . 0 0 "[ . 1]" 1
140 1 15 DG H2'' 1 16 DG H8 2.600 . 3.380 1.918 1.879 1.988 . 0 0 "[ . 1]" 1
141 1 15 DG H3' 1 15 DG H8 4.570 3.200 5.940 5.990 5.975 6.005 0.065 10 0 "[ . 1]" 1
142 1 15 DG H3' 1 16 DG H8 3.320 2.320 4.320 4.365 4.339 4.390 0.070 2 0 "[ . 1]" 1
143 1 15 DG H8 1 21 DG H1 5.000 . 6.500 5.182 5.117 5.262 . 0 0 "[ . 1]" 1
144 1 16 DG H1 1 17 DG H1 3.500 2.450 4.550 3.727 3.624 3.934 . 0 0 "[ . 1]" 1
145 1 16 DG H1 1 21 DG H1 3.500 2.450 4.550 3.526 3.418 3.817 . 0 0 "[ . 1]" 1
146 1 16 DG H1' 1 16 DG H2' 2.700 . 3.510 3.062 3.056 3.066 . 0 0 "[ . 1]" 1
147 1 16 DG H1' 1 16 DG H2'' 2.490 . 3.240 2.430 2.421 2.436 . 0 0 "[ . 1]" 1
148 1 16 DG H1' 1 17 DG H8 3.030 2.120 3.940 2.856 2.530 3.129 . 0 0 "[ . 1]" 1
149 1 16 DG H2' 1 17 DG H8 2.500 . 3.250 3.310 3.253 3.376 0.126 9 0 "[ . 1]" 1
150 1 16 DG H2'' 1 16 DG H8 2.750 . 3.580 3.680 3.664 3.712 0.132 6 0 "[ . 1]" 1
151 1 16 DG H2'' 1 17 DG H8 2.710 . 3.520 1.853 1.841 1.887 0.059 5 0 "[ . 1]" 1
152 1 16 DG H3' 1 17 DG H8 3.350 2.340 4.360 4.485 4.429 4.532 0.172 6 0 "[ . 1]" 1
153 1 17 DG H1' 1 17 DG H2' 2.600 . 3.380 3.028 2.994 3.045 . 0 0 "[ . 1]" 1
154 1 17 DG H1' 1 17 DG H2'' 2.470 . 3.210 2.374 2.353 2.387 . 0 0 "[ . 1]" 1
155 1 17 DG H1' 1 17 DG H8 3.230 2.260 4.200 3.824 3.776 3.876 . 0 0 "[ . 1]" 1
156 1 17 DG H2' 1 17 DG H8 2.470 . 3.210 3.233 3.042 3.366 0.156 9 0 "[ . 1]" 1
157 1 17 DG H3' 1 17 DG H8 3.280 2.300 4.260 4.181 3.820 4.304 0.044 7 0 "[ . 1]" 1
158 1 18 DT H1' 1 18 DT H2' 2.720 . 3.540 2.998 2.885 3.060 . 0 0 "[ . 1]" 1
159 1 18 DT H1' 1 18 DT H2'' 2.430 . 3.160 2.359 2.304 2.410 . 0 0 "[ . 1]" 1
160 1 18 DT H1' 1 18 DT H6 2.900 2.030 3.770 3.715 3.702 3.727 . 0 0 "[ . 1]" 1
161 1 18 DT H2' 1 18 DT H6 2.290 . 2.980 2.274 1.913 2.535 . 0 0 "[ . 1]" 1
162 1 18 DT H2' 1 20 DA H8 4.360 3.050 5.670 5.789 5.733 5.843 0.173 9 0 "[ . 1]" 1
163 1 18 DT H3' 1 18 DT H6 3.390 2.370 4.410 3.382 2.331 4.144 0.039 1 0 "[ . 1]" 1
164 1 18 DT H3' 1 19 DT H6 3.650 2.550 4.750 3.701 2.483 4.644 0.067 8 0 "[ . 1]" 1
165 1 19 DT H1' 1 19 DT H2' 2.780 . 3.610 2.764 2.720 2.880 . 0 0 "[ . 1]" 1
166 1 19 DT H1' 1 19 DT H2'' 2.340 . 3.040 2.327 2.307 2.347 . 0 0 "[ . 1]" 1
167 1 19 DT H1' 1 19 DT H6 3.260 2.280 4.240 3.651 3.583 3.748 . 0 0 "[ . 1]" 1
168 1 19 DT H1' 1 20 DA Q2' 3.700 2.590 4.810 4.444 4.413 4.471 . 0 0 "[ . 1]" 1
169 1 19 DT H1' 1 20 DA H3' 3.530 2.470 4.590 4.617 4.229 4.714 0.124 5 0 "[ . 1]" 1
170 1 19 DT H1' 1 20 DA H8 4.080 2.860 5.300 2.769 2.594 2.826 0.266 8 0 "[ . 1]" 1
171 1 19 DT H2' 1 19 DT H6 2.400 . 3.120 2.375 1.961 3.193 0.073 8 0 "[ . 1]" 1
172 1 19 DT H2' 1 20 DA H3' 3.370 2.360 4.380 2.577 2.391 2.703 . 0 0 "[ . 1]" 1
173 1 19 DT H2' 1 20 DA H8 3.930 2.750 5.110 2.910 2.660 3.272 0.090 10 0 "[ . 1]" 1
174 1 19 DT H2'' 1 20 DA H8 3.540 2.480 4.600 3.548 2.619 3.816 . 0 0 "[ . 1]" 1
175 1 19 DT H3' 1 19 DT H6 3.010 2.110 3.910 2.144 1.999 2.646 0.111 10 0 "[ . 1]" 1
176 1 19 DT H3' 1 20 DA H8 3.980 2.790 5.170 4.907 4.738 5.300 0.130 8 0 "[ . 1]" 1
177 1 19 DT H4' 1 19 DT H6 3.470 2.430 4.510 4.421 4.088 4.604 0.094 7 0 "[ . 1]" 1
178 1 19 DT H4' 1 20 DA H8 4.800 3.360 6.240 5.706 4.936 6.077 . 0 0 "[ . 1]" 1
179 1 19 DT H6 1 20 DA H8 4.750 3.320 6.180 3.843 3.305 5.509 0.015 7 0 "[ . 1]" 1
180 1 20 DA H1' 1 20 DA H2 4.640 3.250 6.030 4.649 4.626 4.687 . 0 0 "[ . 1]" 1
181 1 20 DA H1' 1 20 DA H2' 2.800 . 3.640 2.918 2.869 2.940 . 0 0 "[ . 1]" 1
182 1 20 DA H1' 1 20 DA H2'' 2.490 . 3.240 2.324 2.318 2.335 . 0 0 "[ . 1]" 1
183 1 20 DA H1' 1 20 DA H8 3.290 2.300 4.280 3.804 3.779 3.824 . 0 0 "[ . 1]" 1
184 1 20 DA Q2' 1 20 DA H8 2.780 . 3.610 1.989 1.917 2.044 0.033 10 0 "[ . 1]" 1
185 1 20 DA H2' 1 20 DA H3' 2.530 . 3.290 2.331 2.312 2.364 . 0 0 "[ . 1]" 1
186 1 20 DA H2'' 1 20 DA H8 3.030 2.120 3.940 3.640 3.564 3.691 . 0 0 "[ . 1]" 1
187 1 20 DA H3' 1 20 DA H4' 2.800 . 3.640 2.991 2.965 3.008 . 0 0 "[ . 1]" 1
188 1 20 DA H3' 1 20 DA H8 3.380 2.370 4.390 2.993 2.660 3.240 . 0 0 "[ . 1]" 1
189 1 20 DA H4' 1 20 DA H8 4.290 3.000 5.580 4.992 4.882 5.117 . 0 0 "[ . 1]" 1
190 1 20 DA Q5' 1 20 DA H8 3.510 2.540 4.560 4.149 4.098 4.184 . 0 0 "[ . 1]" 1
191 1 21 DG H1' 1 21 DG H2' 2.890 2.020 3.760 3.062 3.056 3.067 . 0 0 "[ . 1]" 1
192 1 21 DG H1' 1 21 DG H2'' 2.590 . 3.370 2.422 2.403 2.437 . 0 0 "[ . 1]" 1
193 1 21 DG H1' 1 21 DG H8 2.330 . 3.030 2.531 2.506 2.564 . 0 0 "[ . 1]" 1
194 1 21 DG H1' 1 22 DG H8 3.200 2.240 4.160 3.900 3.378 4.183 0.023 3 0 "[ . 1]" 1
195 1 21 DG H2' 1 21 DG H3' 2.590 . 3.370 2.403 2.364 2.417 . 0 0 "[ . 1]" 1
196 1 21 DG H2' 1 21 DG H8 3.730 2.610 4.850 4.495 4.286 4.691 . 0 0 "[ . 1]" 1
197 1 21 DG H2' 1 22 DG H8 2.860 . 3.720 2.738 2.133 3.500 . 0 0 "[ . 1]" 1
198 1 21 DG H2'' 1 21 DG H3' 2.570 . 3.340 2.692 2.670 2.771 . 0 0 "[ . 1]" 1
199 1 21 DG H2'' 1 21 DG H8 3.380 2.370 4.390 4.032 3.638 4.358 . 0 0 "[ . 1]" 1
200 1 21 DG H2'' 1 22 DG H8 2.530 . 3.290 1.948 1.879 2.089 . 0 0 "[ . 1]" 1
201 1 21 DG H3' 1 21 DG H8 4.650 3.250 6.050 6.039 5.875 6.120 0.070 6 0 "[ . 1]" 1
202 1 21 DG H3' 1 22 DG H8 3.410 2.390 4.430 4.130 3.786 4.453 0.023 8 0 "[ . 1]" 1
203 1 21 DG H8 1 22 DG H1' 3.390 2.370 4.410 4.023 3.575 4.429 0.019 7 0 "[ . 1]" 1
204 1 22 DG H1 1 23 DG H1 3.500 2.450 4.550 3.560 3.464 3.657 . 0 0 "[ . 1]" 1
205 1 22 DG H1' 1 22 DG Q2' 2.680 . 3.480 2.315 2.285 2.337 . 0 0 "[ . 1]" 1
206 1 22 DG H1' 1 22 DG H8 3.460 2.420 4.500 3.885 3.874 3.894 . 0 0 "[ . 1]" 1
207 1 22 DG H1' 1 23 DG H8 3.070 2.150 3.990 3.581 3.184 3.959 . 0 0 "[ . 1]" 1
208 1 22 DG Q2' 1 22 DG H8 2.480 . 3.220 2.506 2.183 2.854 . 0 0 "[ . 1]" 1
209 1 22 DG Q2' 1 23 DG H8 2.740 . 3.560 1.883 1.834 1.956 0.086 6 0 "[ . 1]" 1
210 1 22 DG H3' 1 22 DG H8 3.280 2.300 4.260 4.239 3.989 4.337 0.077 6 0 "[ . 1]" 1
211 1 22 DG H3' 1 23 DG H8 3.290 2.300 4.280 4.371 4.329 4.419 0.139 6 0 "[ . 1]" 1
212 1 23 DG H1' 1 23 DG H2' 2.410 . 3.130 3.060 3.058 3.062 . 0 0 "[ . 1]" 1
213 1 23 DG H1' 1 23 DG H2'' 2.320 . 3.020 2.424 2.415 2.430 . 0 0 "[ . 1]" 1
214 1 23 DG H1' 1 23 DG H8 3.350 2.340 4.360 3.868 3.865 3.872 . 0 0 "[ . 1]" 1
215 1 23 DG H1' 1 24 DT H6 3.560 2.490 4.630 3.500 3.431 3.547 . 0 0 "[ . 1]" 1
216 1 23 DG H2' 1 23 DG H8 2.430 . 3.160 2.221 2.197 2.244 . 0 0 "[ . 1]" 1
217 1 23 DG H2'' 1 23 DG H8 2.770 . 3.600 3.625 3.615 3.638 0.038 10 0 "[ . 1]" 1
218 1 23 DG H2'' 1 24 DT H6 2.890 2.020 3.760 2.079 2.058 2.105 . 0 0 "[ . 1]" 1
219 1 23 DG H3' 1 23 DG H8 3.170 2.220 4.120 4.293 4.270 4.316 0.196 10 0 "[ . 1]" 1
220 1 23 DG H3' 1 24 DT H6 3.610 2.530 4.690 4.699 4.657 4.728 0.038 8 0 "[ . 1]" 1
221 1 23 DG H4' 1 23 DG H8 3.960 2.770 5.150 4.918 4.883 4.949 . 0 0 "[ . 1]" 1
222 1 24 DT H1' 1 24 DT H2' 2.690 . 3.500 3.062 3.060 3.065 . 0 0 "[ . 1]" 1
223 1 24 DT H1' 1 24 DT H2'' 2.300 . 2.990 2.415 2.410 2.420 . 0 0 "[ . 1]" 1
224 1 24 DT H1' 1 24 DT H6 3.110 2.180 4.040 3.683 3.681 3.686 . 0 0 "[ . 1]" 1
225 1 24 DT H1' 1 25 DT Q5' 2.540 2.120 3.300 2.960 2.947 2.969 . 0 0 "[ . 1]" 1
226 1 24 DT H1' 1 25 DT H6 3.210 2.250 4.170 3.973 3.865 4.172 0.002 1 0 "[ . 1]" 1
227 1 24 DT H2' 1 24 DT H6 2.390 . 3.110 2.029 2.020 2.038 . 0 0 "[ . 1]" 1
228 1 24 DT H2' 1 25 DT H6 3.010 2.110 3.910 3.656 3.540 3.803 . 0 0 "[ . 1]" 1
229 1 24 DT H2'' 1 24 DT H6 2.660 . 3.460 3.508 3.498 3.518 0.058 8 0 "[ . 1]" 1
230 1 24 DT H2'' 1 25 DT H6 2.710 . 3.520 2.386 2.301 2.435 . 0 0 "[ . 1]" 1
231 1 24 DT H3' 1 24 DT H6 3.360 2.350 4.370 3.927 3.893 3.942 . 0 0 "[ . 1]" 1
232 1 24 DT H3' 1 25 DT H6 3.850 2.700 5.000 4.931 4.825 4.994 . 0 0 "[ . 1]" 1
233 1 24 DT H4' 1 24 DT H6 3.410 2.390 4.430 4.553 4.537 4.567 0.137 7 0 "[ . 1]" 1
234 1 25 DT H1' 1 25 DT H6 3.250 2.270 4.230 3.704 3.689 3.720 . 0 0 "[ . 1]" 1
235 1 25 DT Q2' 1 25 DT H6 2.260 . 2.940 2.017 1.823 2.644 . 0 0 "[ . 1]" 1
236 1 25 DT H3' 1 25 DT H6 2.850 . 3.700 3.604 2.138 3.782 0.082 10 0 "[ . 1]" 1
237 1 25 DT H4' 1 25 DT H6 3.740 2.620 4.860 4.691 4.282 4.773 . 0 0 "[ . 1]" 1
238 1 25 DT Q5' 1 25 DT H6 3.540 2.480 4.450 3.947 3.813 4.000 . 0 0 "[ . 1]" 1
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