NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
407343 |
1y8d   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1y8d
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 259
_Distance_constraint_stats_list.Viol_count 383
_Distance_constraint_stats_list.Viol_total 26356.488
_Distance_constraint_stats_list.Viol_max 19.521
_Distance_constraint_stats_list.Viol_rms 3.6302
_Distance_constraint_stats_list.Viol_average_all_restraints 1.0176
_Distance_constraint_stats_list.Viol_average_violations_only 6.8816
_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
2 1 DG 2002.758 19.521 3 10 [**+****-**]
2 2 DG 620.299 16.882 2 10 [*+******-*]
2 3 DG 3.175 0.452 6 0 "[ . 1]"
2 4 DG 2.585 0.261 4 0 "[ . 1]"
2 5 DT 3.414 0.373 5 0 "[ . 1]"
2 6 DG 6.372 0.373 5 0 "[ . 1]"
2 7 DG 1.131 0.116 8 0 "[ . 1]"
2 8 DG 0.868 0.193 6 0 "[ . 1]"
2 9 DA 2180.657 19.521 3 10 [**+*****-*]
2 10 DG 432.719 13.858 3 10 [**+****-**]
2 11 DG 0.100 0.035 3 0 "[ . 1]"
2 12 DA 0.000 0.000 . 0 "[ . 1]"
2 13 DG 9.538 1.083 3 10 [**+****-**]
2 14 DG 1.153 0.514 5 1 "[ + 1]"
2 15 DG 1.608 0.514 5 1 "[ + 1]"
2 16 DT 0.124 0.078 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 2 1 DG H1 2 10 DG H1 3.500 2.500 4.500 7.190 6.980 7.379 2.879 3 10 [**+****-**] 1
2 2 1 DG H1 2 13 DG H1 3.500 2.500 4.500 3.643 3.567 3.724 . 0 0 "[ . 1]" 1
3 2 1 DG H1 2 13 DG H8 4.500 3.500 5.500 6.450 6.274 6.583 1.083 3 10 [**+****-**] 1
4 2 1 DG H1' 2 1 DG H2' 3.320 2.320 4.320 3.099 3.092 3.106 . 0 0 "[ . 1]" 1
5 2 1 DG H1' 2 1 DG H2'' 2.850 . 3.710 2.536 2.484 2.617 . 0 0 "[ . 1]" 1
6 2 1 DG H1' 2 1 DG H8 2.640 . 3.430 2.589 2.573 2.599 . 0 0 "[ . 1]" 1
7 2 1 DG H1' 2 2 DG Q5' 3.340 2.340 4.340 3.171 3.122 3.229 . 0 0 "[ . 1]" 1
8 2 1 DG H1' 2 2 DG H8 3.980 2.790 5.170 4.213 4.042 4.321 . 0 0 "[ . 1]" 1
9 2 1 DG H1' 2 9 DA H1' 4.240 2.970 5.510 21.649 21.315 21.979 16.469 3 10 [**+****-**] 1
10 2 1 DG H1' 2 9 DA H2 5.200 3.640 6.760 21.818 21.504 22.047 15.287 4 10 [***+****-*] 1
11 2 1 DG H1' 2 9 DA H8 5.140 3.600 6.680 18.656 18.317 18.987 12.307 3 10 [**+****-**] 1
12 2 1 DG H1' 2 10 DG H8 5.800 4.060 7.540 16.866 16.474 17.401 9.861 3 10 [**+****-**] 1
13 2 1 DG H2' 2 1 DG H3' 2.830 . 3.680 2.516 2.497 2.538 . 0 0 "[ . 1]" 1
14 2 1 DG H2' 2 1 DG H8 4.150 2.910 5.390 4.488 4.403 4.594 . 0 0 "[ . 1]" 1
15 2 1 DG H2' 2 2 DG H8 2.870 2.010 3.730 3.068 2.903 3.339 . 0 0 "[ . 1]" 1
16 2 1 DG H2'' 2 1 DG H3' 2.770 . 3.600 2.724 2.691 2.754 . 0 0 "[ . 1]" 1
17 2 1 DG H3' 2 1 DG H8 5.710 4.000 7.420 5.965 5.919 6.006 . 0 0 "[ . 1]" 1
18 2 1 DG H3' 2 2 DG H8 3.970 2.780 5.160 4.755 4.647 4.847 . 0 0 "[ . 1]" 1
19 2 1 DG H3' 2 9 DA H1' 5.520 3.860 7.180 22.429 22.052 22.805 15.625 3 10 [**+****-**] 1
20 2 1 DG H4' 2 1 DG Q5' 2.710 . 3.520 2.316 2.300 2.331 . 0 0 "[ . 1]" 1
21 2 1 DG H4' 2 9 DA H1' 3.150 2.200 4.100 23.183 22.763 23.621 19.521 3 10 [**+****-**] 1
22 2 1 DG H4' 2 9 DA Q2' 3.130 2.230 4.070 19.599 19.175 20.000 15.930 3 10 [**+****-**] 1
23 2 1 DG H4' 2 9 DA H8 4.260 2.980 5.540 20.275 19.850 20.728 15.188 3 10 [**+****-**] 1
24 2 1 DG H4' 2 10 DG H8 3.790 2.650 4.930 18.131 17.632 18.788 13.858 3 10 [**+****-**] 1
25 2 1 DG Q5' 2 9 DA H1' 5.150 3.610 6.690 19.809 19.375 20.273 13.583 3 10 [**+****-**] 1
26 2 1 DG Q5' 2 10 DG H1' 4.190 2.930 5.450 13.681 13.126 14.461 9.011 3 10 [**+****-**] 1
27 2 1 DG Q5' 2 10 DG H8 4.180 2.920 5.440 15.118 14.613 15.784 10.344 3 10 [**+****-**] 1
28 2 1 DG H8 2 2 DG Q5' 4.110 2.880 5.340 4.054 3.982 4.102 . 0 0 "[ . 1]" 1
29 2 1 DG H8 2 2 DG H8 3.880 2.720 5.040 4.123 3.958 4.222 . 0 0 "[ . 1]" 1
30 2 1 DG H8 2 9 DA H1' 5.800 4.060 7.540 20.200 19.881 20.467 12.927 4 10 [***+***-**] 1
31 2 1 DG H8 2 9 DA H2 5.410 3.790 7.030 19.943 19.570 20.209 13.179 4 10 [***+****-*] 1
32 2 1 DG H8 2 9 DA H8 5.800 4.060 7.540 17.278 16.941 17.613 10.073 4 10 [***+****-*] 1
33 2 2 DG H1 2 6 DG H1 3.500 2.500 4.500 4.517 4.497 4.553 0.053 5 0 "[ . 1]" 1
34 2 2 DG H1 2 6 DG H8 4.500 3.500 5.500 4.776 4.628 4.857 . 0 0 "[ . 1]" 1
35 2 2 DG H1' 2 2 DG H2' 2.790 . 3.630 3.092 3.068 3.102 . 0 0 "[ . 1]" 1
36 2 2 DG H1' 2 2 DG H2'' 2.490 . 3.240 2.441 2.422 2.462 . 0 0 "[ . 1]" 1
37 2 2 DG H1' 2 2 DG H3' 3.460 2.420 4.500 3.777 3.683 3.812 . 0 0 "[ . 1]" 1
38 2 2 DG H1' 2 2 DG H4' 2.910 2.040 3.780 2.848 2.775 2.964 . 0 0 "[ . 1]" 1
39 2 2 DG H1' 2 2 DG H8 3.840 2.690 4.990 3.940 3.916 3.956 . 0 0 "[ . 1]" 1
40 2 2 DG H1' 2 3 DG H8 3.150 2.200 4.100 3.385 3.049 3.552 . 0 0 "[ . 1]" 1
41 2 2 DG H1' 2 9 DA H2 5.800 4.060 7.540 19.975 19.724 20.159 12.619 2 10 [*+******-*] 1
42 2 2 DG H2' 2 2 DG H8 2.630 . 3.420 2.519 2.307 2.579 . 0 0 "[ . 1]" 1
43 2 2 DG H2' 2 3 DG H8 2.760 . 3.590 3.664 3.538 4.042 0.452 6 0 "[ . 1]" 1
44 2 2 DG H3' 2 2 DG Q5' 3.630 2.540 4.720 2.435 2.377 2.491 0.163 4 0 "[ . 1]" 1
45 2 2 DG H3' 2 2 DG H8 3.590 2.510 4.670 4.586 4.544 4.679 0.009 6 0 "[ . 1]" 1
46 2 2 DG H3' 2 3 DG H8 3.730 2.610 4.850 4.855 4.817 4.918 0.068 3 0 "[ . 1]" 1
47 2 2 DG H3' 2 9 DA H2 5.190 3.630 6.750 23.141 22.971 23.293 16.543 2 10 [*+******-*] 1
48 2 2 DG Q5' 2 2 DG H8 5.000 3.500 6.500 4.708 4.501 4.794 . 0 0 "[ . 1]" 1
49 2 2 DG Q5' 2 9 DA H1' 4.010 2.810 5.210 21.488 21.277 21.666 16.456 3 10 [**+****-**] 1
50 2 2 DG Q5' 2 9 DA H2 3.640 2.550 4.730 21.439 21.214 21.612 16.882 2 10 [*+******-*] 1
51 2 2 DG H8 2 13 DG H1 4.500 3.500 5.500 5.021 4.895 5.128 . 0 0 "[ . 1]" 1
52 2 2 DG H8 2 14 DG H1 4.500 3.500 5.500 4.946 4.739 5.210 . 0 0 "[ . 1]" 1
53 2 3 DG H1 2 6 DG H8 4.500 3.500 5.500 5.433 5.290 5.554 0.054 6 0 "[ . 1]" 1
54 2 3 DG H1 2 7 DG H8 4.500 3.500 5.500 4.787 4.724 4.828 . 0 0 "[ . 1]" 1
55 2 3 DG H1' 2 3 DG H2' 2.590 . 3.370 3.068 3.057 3.075 . 0 0 "[ . 1]" 1
56 2 3 DG H1' 2 3 DG H2'' 2.540 . 3.300 2.392 2.370 2.413 . 0 0 "[ . 1]" 1
57 2 3 DG H1' 2 3 DG H3' 3.630 2.540 4.720 3.812 3.789 3.842 . 0 0 "[ . 1]" 1
58 2 3 DG H1' 2 3 DG H4' 3.580 2.510 4.650 3.266 3.250 3.292 . 0 0 "[ . 1]" 1
59 2 3 DG H1' 2 3 DG H8 3.600 2.520 4.680 3.903 3.900 3.906 . 0 0 "[ . 1]" 1
60 2 3 DG H1' 2 4 DG H3' 4.900 3.430 6.370 5.883 5.810 5.988 . 0 0 "[ . 1]" 1
61 2 3 DG H1' 2 4 DG H8 3.490 2.440 4.540 3.712 3.628 3.821 . 0 0 "[ . 1]" 1
62 2 3 DG H2' 2 3 DG H3' 2.500 . 3.250 2.319 2.309 2.328 . 0 0 "[ . 1]" 1
63 2 3 DG H2'' 2 3 DG H3' 2.670 . 3.470 2.670 2.654 2.699 . 0 0 "[ . 1]" 1
64 2 3 DG H2'' 2 3 DG H8 2.960 . 4.000 3.900 3.871 3.945 . 0 0 "[ . 1]" 1
65 2 3 DG H2'' 2 4 DG H8 2.710 . 3.520 2.271 2.240 2.292 . 0 0 "[ . 1]" 1
66 2 3 DG H3' 2 3 DG H8 3.380 2.370 4.390 4.400 4.322 4.430 0.040 2 0 "[ . 1]" 1
67 2 3 DG H3' 2 4 DG H8 3.510 2.390 4.630 4.826 4.784 4.891 0.261 4 0 "[ . 1]" 1
68 2 3 DG H4' 2 3 DG H8 4.790 3.350 6.230 4.806 4.772 4.827 . 0 0 "[ . 1]" 1
69 2 3 DG H8 2 14 DG H1 4.500 3.500 5.500 5.167 5.046 5.241 . 0 0 "[ . 1]" 1
70 2 3 DG H8 2 15 DG H1 4.500 3.500 5.500 5.204 5.144 5.245 . 0 0 "[ . 1]" 1
71 2 4 DG H1 2 7 DG H8 4.500 3.500 5.500 5.524 5.334 5.616 0.116 8 0 "[ . 1]" 1
72 2 4 DG H1 2 8 DG H8 4.500 3.500 5.500 5.254 5.058 5.408 . 0 0 "[ . 1]" 1
73 2 4 DG H1' 2 4 DG H2' 2.670 . 3.470 3.102 3.095 3.106 . 0 0 "[ . 1]" 1
74 2 4 DG H1' 2 4 DG H2'' 2.480 . 3.230 2.489 2.476 2.506 . 0 0 "[ . 1]" 1
75 2 4 DG H1' 2 4 DG H3' 3.370 2.360 4.380 3.712 3.683 3.746 . 0 0 "[ . 1]" 1
76 2 4 DG H1' 2 4 DG H4' 3.300 2.310 4.290 2.942 2.904 2.971 . 0 0 "[ . 1]" 1
77 2 4 DG H1' 2 4 DG Q5' 3.230 2.360 4.200 4.167 4.149 4.194 . 0 0 "[ . 1]" 1
78 2 4 DG H1' 2 4 DG H8 3.780 2.650 4.910 3.903 3.881 3.915 . 0 0 "[ . 1]" 1
79 2 4 DG H1' 2 5 DT H3' 4.300 3.010 5.590 5.187 4.870 5.610 0.020 2 0 "[ . 1]" 1
80 2 4 DG H2' 2 4 DG H3' 2.410 . 3.130 2.389 2.368 2.403 . 0 0 "[ . 1]" 1
81 2 4 DG H2'' 2 4 DG H3' 2.630 . 3.420 2.733 2.718 2.747 . 0 0 "[ . 1]" 1
82 2 4 DG H2'' 2 4 DG H8 2.760 . 3.730 3.707 3.622 3.793 0.063 4 0 "[ . 1]" 1
83 2 4 DG H3' 2 4 DG H8 3.730 2.610 4.850 4.589 4.533 4.638 . 0 0 "[ . 1]" 1
84 2 4 DG H4' 2 4 DG H8 4.720 3.300 6.140 4.972 4.846 5.019 . 0 0 "[ . 1]" 1
85 2 4 DG H8 2 15 DG H1 4.500 3.500 5.500 4.810 4.726 4.878 . 0 0 "[ . 1]" 1
86 2 5 DT H1' 2 5 DT H2' 2.670 . 3.470 3.076 3.050 3.088 . 0 0 "[ . 1]" 1
87 2 5 DT H1' 2 5 DT H2'' 2.420 . 3.150 2.384 2.340 2.407 . 0 0 "[ . 1]" 1
88 2 5 DT H1' 2 5 DT H3' 3.570 2.500 4.640 3.918 3.842 4.019 . 0 0 "[ . 1]" 1
89 2 5 DT H1' 2 5 DT H4' 3.390 2.370 4.410 3.453 3.391 3.532 . 0 0 "[ . 1]" 1
90 2 5 DT H1' 2 5 DT Q5' 3.540 2.950 4.600 4.295 4.203 4.350 . 0 0 "[ . 1]" 1
91 2 5 DT H1' 2 5 DT H6 3.250 2.270 4.230 3.714 3.704 3.726 . 0 0 "[ . 1]" 1
92 2 5 DT H1' 2 6 DG H3' 5.500 5.500 25.500 5.805 5.455 6.147 0.045 10 0 "[ . 1]" 1
93 2 5 DT H2' 2 5 DT H6 2.290 . 2.980 1.971 1.888 2.041 . 0 0 "[ . 1]" 1
94 2 5 DT H2'' 2 5 DT H6 2.550 . 3.440 3.465 3.317 3.546 0.106 4 0 "[ . 1]" 1
95 2 5 DT H3' 2 5 DT H6 3.250 2.270 4.230 3.841 3.501 4.033 . 0 0 "[ . 1]" 1
96 2 5 DT H4' 2 5 DT H6 3.740 2.620 4.860 4.573 4.458 4.716 . 0 0 "[ . 1]" 1
97 2 5 DT H4' 2 6 DG H1' 4.810 3.370 6.250 6.543 6.507 6.623 0.373 5 0 "[ . 1]" 1
98 2 5 DT H4' 2 6 DG H3' 3.250 2.280 4.220 2.857 2.735 2.991 . 0 0 "[ . 1]" 1
99 2 5 DT H4' 2 6 DG H8 5.060 3.540 6.580 6.071 5.712 6.436 . 0 0 "[ . 1]" 1
100 2 5 DT H4' 2 7 DG H8 5.240 3.670 6.810 6.289 5.794 6.709 . 0 0 "[ . 1]" 1
101 2 5 DT Q5' 2 5 DT H6 3.530 2.470 4.300 3.539 3.415 3.703 . 0 0 "[ . 1]" 1
102 2 6 DG H1' 2 6 DG H2' 2.500 . 3.250 3.015 2.986 3.033 . 0 0 "[ . 1]" 1
103 2 6 DG H1' 2 6 DG H2'' 2.370 . 3.080 2.302 2.227 2.337 . 0 0 "[ . 1]" 1
104 2 6 DG H1' 2 6 DG H3' 3.380 2.370 4.390 3.838 3.802 3.887 . 0 0 "[ . 1]" 1
105 2 6 DG H1' 2 6 DG H4' 3.130 2.190 4.070 3.213 3.026 3.500 . 0 0 "[ . 1]" 1
106 2 6 DG H1' 2 6 DG H8 2.870 2.010 3.730 3.821 3.795 3.868 0.138 3 0 "[ . 1]" 1
107 2 6 DG H1' 2 7 DG H8 3.610 2.530 4.690 4.440 4.383 4.500 . 0 0 "[ . 1]" 1
108 2 6 DG H2' 2 6 DG H3' 2.660 . 3.460 2.325 2.285 2.396 . 0 0 "[ . 1]" 1
109 2 6 DG H2' 2 6 DG H8 2.620 . 3.410 2.938 2.876 3.078 . 0 0 "[ . 1]" 1
110 2 6 DG H2' 2 7 DG H8 2.710 . 3.520 3.006 2.864 3.185 . 0 0 "[ . 1]" 1
111 2 6 DG H2'' 2 6 DG H3' 2.880 2.020 3.740 2.789 2.760 2.816 . 0 0 "[ . 1]" 1
112 2 6 DG H2'' 2 6 DG H8 3.000 . 4.110 4.263 4.214 4.380 0.270 3 0 "[ . 1]" 1
113 2 6 DG H3' 2 6 DG H8 3.500 2.270 4.730 4.614 4.512 4.689 . 0 0 "[ . 1]" 1
114 2 6 DG H3' 2 7 DG H8 3.430 2.400 4.460 4.312 4.094 4.436 . 0 0 "[ . 1]" 1
115 2 6 DG H4' 2 6 DG H8 3.870 2.710 5.030 4.614 4.444 4.697 . 0 0 "[ . 1]" 1
116 2 6 DG H4' 2 7 DG H8 4.780 3.350 6.210 6.272 6.229 6.316 0.106 1 0 "[ . 1]" 1
117 2 6 DG Q5' 2 6 DG H8 3.510 2.460 4.460 3.496 2.391 4.012 0.069 3 0 "[ . 1]" 1
118 2 6 DG H8 2 7 DG H8 5.180 3.620 6.740 5.390 5.234 5.541 . 0 0 "[ . 1]" 1
119 2 7 DG H1 2 8 DG H1 3.500 2.500 4.500 4.052 3.907 4.169 . 0 0 "[ . 1]" 1
120 2 7 DG H1 2 10 DG H8 4.500 3.500 5.500 5.288 5.220 5.391 . 0 0 "[ . 1]" 1
121 2 7 DG H1' 2 7 DG H2' 2.810 . 3.650 3.095 3.086 3.109 . 0 0 "[ . 1]" 1
122 2 7 DG H1' 2 7 DG H2'' 2.690 . 3.500 2.449 2.429 2.482 . 0 0 "[ . 1]" 1
123 2 7 DG H1' 2 7 DG H3' 3.670 2.570 4.770 3.704 3.682 3.726 . 0 0 "[ . 1]" 1
124 2 7 DG H1' 2 7 DG Q5' 3.910 2.740 5.080 4.272 4.258 4.288 . 0 0 "[ . 1]" 1
125 2 7 DG H1' 2 7 DG H8 4.040 2.830 5.250 3.916 3.904 3.926 . 0 0 "[ . 1]" 1
126 2 7 DG H1' 2 8 DG H8 3.360 2.350 4.370 3.296 3.189 3.411 . 0 0 "[ . 1]" 1
127 2 7 DG H1' 2 9 DA H2 5.800 4.060 7.540 6.282 6.228 6.322 . 0 0 "[ . 1]" 1
128 2 7 DG H2' 2 7 DG H8 2.610 . 3.520 2.415 2.350 2.456 . 0 0 "[ . 1]" 1
129 2 7 DG H2'' 2 8 DG H8 2.660 . 3.460 2.483 2.420 2.544 . 0 0 "[ . 1]" 1
130 2 7 DG H3' 2 7 DG H8 3.670 2.570 4.770 4.694 4.654 4.724 . 0 0 "[ . 1]" 1
131 2 7 DG H3' 2 8 DG H8 3.900 2.530 5.270 5.061 4.937 5.120 . 0 0 "[ . 1]" 1
132 2 7 DG H8 2 8 DG H8 4.560 3.190 5.930 5.102 4.959 5.330 . 0 0 "[ . 1]" 1
133 2 8 DG H1 2 10 DG H8 4.500 3.500 5.500 5.584 5.468 5.693 0.193 6 0 "[ . 1]" 1
134 2 8 DG H1 2 11 DG H8 4.500 3.500 5.500 4.744 4.695 4.835 . 0 0 "[ . 1]" 1
135 2 8 DG H1' 2 8 DG H8 3.770 2.640 4.900 3.923 3.917 3.932 . 0 0 "[ . 1]" 1
136 2 8 DG H1' 2 9 DA H3' 4.870 3.410 6.330 3.939 3.842 4.110 . 0 0 "[ . 1]" 1
137 2 8 DG H1' 2 9 DA Q5' 3.910 2.810 5.080 4.640 4.478 4.796 . 0 0 "[ . 1]" 1
138 2 8 DG H1' 2 9 DA H8 4.230 2.960 5.500 3.776 3.558 3.883 . 0 0 "[ . 1]" 1
139 2 9 DA H1' 2 9 DA H2 4.660 3.260 6.060 4.611 4.583 4.646 . 0 0 "[ . 1]" 1
140 2 9 DA H1' 2 9 DA Q2' 2.940 2.060 3.420 2.325 2.302 2.350 . 0 0 "[ . 1]" 1
141 2 9 DA H1' 2 9 DA H3' 3.820 2.670 4.970 3.852 3.821 3.881 . 0 0 "[ . 1]" 1
142 2 9 DA H1' 2 9 DA H4' 3.460 2.420 4.500 3.252 3.212 3.311 . 0 0 "[ . 1]" 1
143 2 9 DA H1' 2 9 DA H5' 5.690 3.980 7.400 4.551 4.405 4.606 . 0 0 "[ . 1]" 1
144 2 9 DA H1' 2 9 DA H5'' 5.000 3.500 6.500 5.201 5.067 5.244 . 0 0 "[ . 1]" 1
145 2 9 DA H1' 2 9 DA H8 4.100 2.870 5.330 3.958 3.919 3.990 . 0 0 "[ . 1]" 1
146 2 9 DA H1' 2 10 DG Q5' 3.930 2.750 5.110 5.156 5.116 5.193 0.083 10 0 "[ . 1]" 1
147 2 9 DA H1' 2 10 DG H8 5.520 3.860 7.180 6.062 6.033 6.107 . 0 0 "[ . 1]" 1
148 2 9 DA Q2' 2 9 DA H3' 2.890 2.090 3.760 2.405 2.389 2.419 . 0 0 "[ . 1]" 1
149 2 9 DA Q2' 2 9 DA H4' 3.180 2.510 4.130 2.673 2.650 2.697 . 0 0 "[ . 1]" 1
150 2 9 DA Q2' 2 9 DA H8 2.970 2.370 3.860 2.522 2.458 2.569 . 0 0 "[ . 1]" 1
151 2 9 DA Q2' 2 10 DG H8 4.420 3.090 5.030 3.407 3.319 3.503 . 0 0 "[ . 1]" 1
152 2 9 DA H3' 2 9 DA H4' 3.060 2.140 3.980 3.109 3.099 3.116 . 0 0 "[ . 1]" 1
153 2 9 DA H3' 2 9 DA H5' 3.070 2.150 3.990 3.752 3.524 3.827 . 0 0 "[ . 1]" 1
154 2 9 DA H3' 2 9 DA H5'' 3.130 2.190 4.070 3.177 3.070 3.545 . 0 0 "[ . 1]" 1
155 2 9 DA H3' 2 9 DA H8 2.780 . 3.610 2.588 2.550 2.609 . 0 0 "[ . 1]" 1
156 2 9 DA H3' 2 10 DG H8 4.240 2.970 5.510 4.452 4.262 4.586 . 0 0 "[ . 1]" 1
157 2 9 DA H4' 2 9 DA H8 4.620 3.230 6.010 5.106 5.085 5.119 . 0 0 "[ . 1]" 1
158 2 9 DA H5' 2 9 DA H8 4.410 3.090 5.730 5.647 5.287 5.763 0.033 5 0 "[ . 1]" 1
159 2 9 DA H5'' 2 9 DA H8 5.140 3.600 6.680 5.576 5.454 5.901 . 0 0 "[ . 1]" 1
160 2 9 DA H8 2 10 DG Q5' 4.560 3.190 5.930 4.817 4.728 4.886 . 0 0 "[ . 1]" 1
161 2 9 DA H8 2 10 DG H8 3.410 2.390 4.430 3.122 3.038 3.179 . 0 0 "[ . 1]" 1
162 2 10 DG H1 2 13 DG H8 4.500 3.500 5.500 5.352 5.184 5.450 . 0 0 "[ . 1]" 1
163 2 10 DG H1 2 14 DG H8 4.500 3.500 5.500 4.691 4.651 4.734 . 0 0 "[ . 1]" 1
164 2 10 DG H1' 2 10 DG H2' 2.680 . 3.480 3.102 3.086 3.112 . 0 0 "[ . 1]" 1
165 2 10 DG H1' 2 10 DG H2'' 2.470 . 3.210 2.573 2.558 2.588 . 0 0 "[ . 1]" 1
166 2 10 DG H1' 2 10 DG H3' 3.710 2.600 4.820 3.832 3.776 3.899 . 0 0 "[ . 1]" 1
167 2 10 DG H1' 2 10 DG H4' 3.020 2.110 3.930 3.093 3.007 3.142 . 0 0 "[ . 1]" 1
168 2 10 DG H1' 2 10 DG Q5' 3.560 2.490 4.630 4.304 4.249 4.338 . 0 0 "[ . 1]" 1
169 2 10 DG H1' 2 10 DG H8 3.510 2.460 4.560 3.729 3.700 3.755 . 0 0 "[ . 1]" 1
170 2 10 DG H1' 2 11 DG H8 4.530 3.170 5.890 4.843 4.761 4.953 . 0 0 "[ . 1]" 1
171 2 10 DG H2' 2 10 DG H3' 2.400 . 3.120 2.206 2.164 2.228 . 0 0 "[ . 1]" 1
172 2 10 DG H2' 2 10 DG H8 2.940 2.060 3.820 2.981 2.953 3.009 . 0 0 "[ . 1]" 1
173 2 10 DG H2'' 2 10 DG H3' 2.300 . 2.990 2.596 2.535 2.643 . 0 0 "[ . 1]" 1
174 2 10 DG H2'' 2 11 DG H8 2.920 2.050 3.790 2.547 2.508 2.589 . 0 0 "[ . 1]" 1
175 2 10 DG H3' 2 10 DG H8 3.620 2.530 4.710 4.658 4.521 4.732 0.022 5 0 "[ . 1]" 1
176 2 10 DG H3' 2 11 DG H8 3.440 2.410 4.470 4.430 4.205 4.505 0.035 3 0 "[ . 1]" 1
177 2 10 DG H4' 2 10 DG H8 3.950 2.770 5.130 4.524 4.484 4.588 . 0 0 "[ . 1]" 1
178 2 10 DG H4' 2 11 DG H8 5.140 3.600 6.680 6.542 6.449 6.604 . 0 0 "[ . 1]" 1
179 2 10 DG H5' 2 10 DG H5'' 2.430 . 3.160 1.763 1.746 1.772 . 0 0 "[ . 1]" 1
180 2 11 DG H1 2 14 DG H8 4.500 3.500 5.500 5.208 5.024 5.371 . 0 0 "[ . 1]" 1
181 2 11 DG H1 2 15 DG H8 4.500 3.500 5.500 5.287 5.074 5.391 . 0 0 "[ . 1]" 1
182 2 11 DG H1' 2 11 DG H2' 2.820 . 3.670 3.111 3.102 3.123 . 0 0 "[ . 1]" 1
183 2 11 DG H1' 2 11 DG H2'' 2.660 . 3.460 2.471 2.401 2.536 . 0 0 "[ . 1]" 1
184 2 11 DG H1' 2 11 DG H3' 3.680 2.570 4.790 3.780 3.731 3.822 . 0 0 "[ . 1]" 1
185 2 11 DG H1' 2 11 DG H4' 3.830 2.680 4.980 3.264 3.212 3.310 . 0 0 "[ . 1]" 1
186 2 11 DG H1' 2 11 DG H8 4.030 2.820 5.240 3.969 3.949 3.991 . 0 0 "[ . 1]" 1
187 2 11 DG H1' 2 12 DA H3' 5.160 3.610 6.710 6.060 5.850 6.245 . 0 0 "[ . 1]" 1
188 2 11 DG H1' 2 12 DA Q5' 3.810 2.670 4.600 3.644 3.500 3.827 . 0 0 "[ . 1]" 1
189 2 11 DG H2' 2 11 DG H8 2.660 . 3.460 2.440 2.370 2.545 . 0 0 "[ . 1]" 1
190 2 11 DG H3' 2 11 DG H8 3.940 2.760 5.120 4.693 4.588 4.778 . 0 0 "[ . 1]" 1
191 2 11 DG H4' 2 11 DG H8 5.760 4.030 7.490 5.296 5.180 5.418 . 0 0 "[ . 1]" 1
192 2 11 DG H4' 2 12 DA H2 5.500 5.500 25.500 10.746 10.423 10.940 . 0 0 "[ . 1]" 1
193 2 11 DG H4' 2 12 DA H3' 3.240 2.270 4.210 3.051 2.895 3.229 . 0 0 "[ . 1]" 1
194 2 11 DG H4' 2 12 DA H8 5.800 4.060 7.540 6.561 6.035 6.785 . 0 0 "[ . 1]" 1
195 2 11 DG Q5' 2 11 DG H8 4.270 3.240 5.550 4.582 4.487 4.722 . 0 0 "[ . 1]" 1
196 2 12 DA H1' 2 12 DA H2 5.480 3.840 7.120 4.668 4.614 4.702 . 0 0 "[ . 1]" 1
197 2 12 DA H1' 2 12 DA Q5' 4.040 3.230 5.250 4.075 3.978 4.165 . 0 0 "[ . 1]" 1
198 2 12 DA H1' 2 12 DA H8 4.270 2.990 5.550 3.927 3.888 4.001 . 0 0 "[ . 1]" 1
199 2 12 DA H1' 2 13 DG H3' 5.800 4.060 7.540 6.431 6.035 6.649 . 0 0 "[ . 1]" 1
200 2 12 DA H2 2 14 DG H3' 5.800 5.800 25.800 12.423 10.527 14.531 . 0 0 "[ . 1]" 1
201 2 12 DA H3' 2 12 DA Q5' 2.810 2.090 3.650 2.737 2.691 2.781 . 0 0 "[ . 1]" 1
202 2 12 DA H3' 2 12 DA H8 4.190 2.930 5.450 4.771 4.582 4.909 . 0 0 "[ . 1]" 1
203 2 12 DA Q5' 2 12 DA H8 4.410 3.510 5.730 4.612 4.472 4.929 . 0 0 "[ . 1]" 1
204 2 13 DG H1 2 14 DG H1 3.500 2.500 4.500 3.861 3.795 3.934 . 0 0 "[ . 1]" 1
205 2 13 DG H1' 2 13 DG H2' 2.740 . 3.560 3.006 2.985 3.039 . 0 0 "[ . 1]" 1
206 2 13 DG H1' 2 13 DG H2'' 2.350 . 3.050 2.317 2.292 2.347 . 0 0 "[ . 1]" 1
207 2 13 DG H1' 2 13 DG H3' 3.300 2.310 4.290 3.939 3.892 3.966 . 0 0 "[ . 1]" 1
208 2 13 DG H1' 2 13 DG H4' 2.950 2.060 3.840 2.963 2.849 3.030 . 0 0 "[ . 1]" 1
209 2 13 DG H1' 2 13 DG H8 2.870 2.010 3.730 3.713 3.666 3.753 0.023 9 0 "[ . 1]" 1
210 2 13 DG H1' 2 14 DG H8 3.880 2.720 5.040 4.828 4.692 4.910 . 0 0 "[ . 1]" 1
211 2 13 DG H2' 2 13 DG H3' 2.620 . 3.400 2.260 2.247 2.271 . 0 0 "[ . 1]" 1
212 2 13 DG H2' 2 13 DG H8 2.830 . 3.820 3.491 3.347 3.608 . 0 0 "[ . 1]" 1
213 2 13 DG H2' 2 14 DG H8 2.840 . 3.690 2.641 2.540 2.872 . 0 0 "[ . 1]" 1
214 2 13 DG H3' 2 13 DG H8 3.520 2.290 4.750 4.473 4.336 4.703 . 0 0 "[ . 1]" 1
215 2 13 DG H3' 2 14 DG H8 3.530 2.470 4.590 3.929 3.822 4.185 . 0 0 "[ . 1]" 1
216 2 13 DG H4' 2 13 DG H8 3.700 2.590 4.810 4.603 4.562 4.632 . 0 0 "[ . 1]" 1
217 2 13 DG Q5' 2 13 DG H8 3.230 2.370 4.200 3.311 3.218 3.465 . 0 0 "[ . 1]" 1
218 2 13 DG H8 2 14 DG H8 5.490 3.840 7.140 5.927 5.837 5.976 . 0 0 "[ . 1]" 1
219 2 14 DG H1 2 15 DG H1 3.500 2.500 4.500 3.556 3.446 3.714 . 0 0 "[ . 1]" 1
220 2 14 DG H1' 2 14 DG H2' 2.670 . 3.470 3.088 3.052 3.101 . 0 0 "[ . 1]" 1
221 2 14 DG H1' 2 14 DG H2'' 2.390 . 3.110 2.355 2.317 2.388 . 0 0 "[ . 1]" 1
222 2 14 DG H1' 2 14 DG H3' 3.200 2.240 4.160 3.832 3.710 3.880 . 0 0 "[ . 1]" 1
223 2 14 DG H1' 2 14 DG H4' 2.930 2.050 3.810 3.046 2.994 3.080 . 0 0 "[ . 1]" 1
224 2 14 DG H1' 2 14 DG H8 3.810 2.670 4.950 3.901 3.891 3.917 . 0 0 "[ . 1]" 1
225 2 14 DG H1' 2 15 DG H8 3.050 . 4.120 3.656 3.303 3.824 . 0 0 "[ . 1]" 1
226 2 14 DG H2' 2 15 DG H8 2.720 . 3.540 3.585 3.302 4.054 0.514 5 1 "[ + 1]" 1
227 2 14 DG H3' 2 14 DG H8 3.690 2.580 4.800 4.400 4.279 4.576 . 0 0 "[ . 1]" 1
228 2 14 DG H3' 2 15 DG H8 3.730 2.610 4.850 4.867 4.772 4.996 0.146 5 0 "[ . 1]" 1
229 2 14 DG H4' 2 14 DG H8 4.700 3.290 6.110 4.804 4.744 4.983 . 0 0 "[ . 1]" 1
230 2 14 DG Q5' 2 14 DG H8 3.880 2.940 5.040 4.139 4.055 4.323 . 0 0 "[ . 1]" 1
231 2 14 DG H8 2 15 DG H8 4.870 3.410 6.330 5.401 5.285 5.510 . 0 0 "[ . 1]" 1
232 2 15 DG H1' 2 15 DG H2' 2.650 . 3.450 3.086 3.067 3.103 . 0 0 "[ . 1]" 1
233 2 15 DG H1' 2 15 DG H2'' 2.480 . 3.220 2.431 2.382 2.469 . 0 0 "[ . 1]" 1
234 2 15 DG H1' 2 15 DG H3' 3.610 2.530 4.690 3.854 3.813 3.913 . 0 0 "[ . 1]" 1
235 2 15 DG H1' 2 15 DG H4' 3.480 2.440 4.520 3.287 3.213 3.321 . 0 0 "[ . 1]" 1
236 2 15 DG H1' 2 15 DG Q5' 3.760 3.080 4.890 4.365 4.343 4.390 . 0 0 "[ . 1]" 1
237 2 15 DG H1' 2 15 DG H8 3.690 2.580 4.800 3.886 3.871 3.898 . 0 0 "[ . 1]" 1
238 2 15 DG H1' 2 16 DT H1' 4.820 3.380 6.260 5.090 4.738 5.314 . 0 0 "[ . 1]" 1
239 2 15 DG H1' 2 16 DT H4' 4.010 2.810 5.210 4.623 4.426 4.803 . 0 0 "[ . 1]" 1
240 2 15 DG H1' 2 16 DT Q5' 3.130 2.570 4.070 3.327 3.261 3.390 . 0 0 "[ . 1]" 1
241 2 15 DG H1' 2 16 DT H6 4.700 3.050 6.350 4.973 4.415 5.545 . 0 0 "[ . 1]" 1
242 2 15 DG H2' 2 15 DG H3' 2.540 . 3.300 2.388 2.370 2.413 . 0 0 "[ . 1]" 1
243 2 15 DG H2' 2 15 DG H8 2.350 . 3.170 2.252 2.206 2.286 . 0 0 "[ . 1]" 1
244 2 15 DG H2' 2 16 DT H6 3.720 2.600 4.840 4.356 3.882 4.918 0.078 10 0 "[ . 1]" 1
245 2 15 DG H2'' 2 16 DT H6 3.300 2.310 4.290 3.150 2.993 3.327 . 0 0 "[ . 1]" 1
246 2 15 DG H3' 2 15 DG H8 3.200 2.080 4.320 4.344 4.204 4.409 0.089 4 0 "[ . 1]" 1
247 2 15 DG H3' 2 16 DT H6 5.020 3.510 6.530 5.227 4.605 5.671 . 0 0 "[ . 1]" 1
248 2 15 DG H4' 2 15 DG H8 4.380 3.070 5.690 4.875 4.839 4.933 . 0 0 "[ . 1]" 1
249 2 15 DG Q5' 2 15 DG H8 3.930 2.750 5.110 4.038 3.976 4.150 . 0 0 "[ . 1]" 1
250 2 15 DG H8 2 16 DT H6 5.340 3.740 6.940 5.838 5.378 6.708 . 0 0 "[ . 1]" 1
251 2 16 DT H1' 2 16 DT H3' 3.100 2.170 4.030 3.697 3.664 3.733 . 0 0 "[ . 1]" 1
252 2 16 DT H1' 2 16 DT H4' 2.870 2.010 3.730 2.781 2.702 2.840 . 0 0 "[ . 1]" 1
253 2 16 DT H1' 2 16 DT Q5' 3.210 2.540 4.170 4.165 4.130 4.182 0.012 9 0 "[ . 1]" 1
254 2 16 DT H1' 2 16 DT H6 3.200 2.240 4.160 3.758 3.678 3.791 . 0 0 "[ . 1]" 1
255 2 16 DT H3' 2 16 DT H4' 2.880 2.010 3.750 2.930 2.899 2.947 . 0 0 "[ . 1]" 1
256 2 16 DT H3' 2 16 DT H6 3.470 2.430 4.510 4.415 4.334 4.522 0.012 6 0 "[ . 1]" 1
257 2 16 DT H4' 2 16 DT Q5' 2.390 . 3.110 2.215 2.181 2.233 . 0 0 "[ . 1]" 1
258 2 16 DT H4' 2 16 DT H6 4.900 3.430 6.370 5.200 5.023 5.394 . 0 0 "[ . 1]" 1
259 2 16 DT Q5' 2 16 DT H6 4.440 3.380 5.770 4.927 4.687 5.173 . 0 0 "[ . 1]" 1
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