NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
407521 |
1yct   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1yct
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 357
_Distance_constraint_stats_list.Viol_count 152
_Distance_constraint_stats_list.Viol_total 560.360
_Distance_constraint_stats_list.Viol_max 7.540
_Distance_constraint_stats_list.Viol_rms 0.5159
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0628
_Distance_constraint_stats_list.Viol_average_violations_only 0.7373
_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 0.000 0.000 . 0 "[ .]"
1 2 DG 0.000 0.000 . 0 "[ .]"
1 3 DC 0.000 0.000 . 0 "[ .]"
1 4 DA 1.355 0.403 1 0 "[ .]"
1 5 DT 5.120 0.742 1 5 [+*-**]
1 6 DG 0.140 0.024 3 0 "[ .]"
1 8 DG 2.402 0.502 3 1 "[ + .]"
1 9 DT 5.655 0.761 2 5 [*+-**]
1 10 DA 0.000 0.000 . 0 "[ .]"
1 11 DC 0.000 0.000 . 0 "[ .]"
1 12 DG 0.000 0.000 . 0 "[ .]"
1 13 DC 0.000 0.000 . 0 "[ .]"
2 1 DG 0.000 0.000 . 0 "[ .]"
2 2 DC 0.000 0.000 . 0 "[ .]"
2 3 DG 0.007 0.005 1 0 "[ .]"
2 4 DT 3.725 0.742 4 5 [-**+*]
2 5 DA 1.268 0.126 1 0 "[ .]"
2 7 DC 17.446 3.854 1 5 [+***-]
2 8 DC 79.102 7.540 5 5 [****+]
2 9 DA 74.585 7.540 5 5 [****+]
2 10 DT 15.547 1.478 3 5 [**+-*]
2 11 DG 0.000 0.000 . 0 "[ .]"
2 12 DC 0.000 0.000 . 0 "[ .]"
2 13 DG 0.000 0.000 . 0 "[ .]"
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 5 DA H1' 2 7 DC H6 4.060 3.460 4.660 4.175 3.840 4.465 . 0 0 "[ .]" 1
2 2 9 DA H1' 2 10 DT H6 3.950 3.350 4.550 3.881 3.780 4.071 . 0 0 "[ .]" 1
3 1 4 DA H1' 1 5 DT H6 3.580 2.980 4.180 3.786 3.716 3.946 . 0 0 "[ .]" 1
4 1 10 DA H1' 1 11 DC H6 3.590 2.990 4.190 3.415 3.313 3.655 . 0 0 "[ .]" 1
5 1 6 DG H1' 1 8 DG H8 4.080 3.480 4.680 4.319 4.138 4.491 . 0 0 "[ .]" 1
6 2 3 DG H1' 2 4 DT H6 3.720 3.120 4.320 3.505 3.445 3.576 . 0 0 "[ .]" 1
7 2 4 DT H1' 2 4 DT H6 3.740 3.140 4.340 3.742 3.734 3.749 . 0 0 "[ .]" 1
8 2 10 DT H1' 2 10 DT H6 3.760 3.160 4.360 3.757 3.754 3.759 . 0 0 "[ .]" 1
9 1 5 DT H1' 1 5 DT H6 3.710 3.110 4.310 3.744 3.735 3.752 . 0 0 "[ .]" 1
10 1 8 DG H1' 1 8 DG H8 3.950 3.350 4.160 3.936 3.913 3.976 . 0 0 "[ .]" 1
11 1 9 DT H1' 1 9 DT H6 3.740 3.140 4.340 3.748 3.743 3.754 . 0 0 "[ .]" 1
12 1 8 DG H1' 1 9 DT H6 3.750 3.330 4.330 3.808 3.730 3.997 . 0 0 "[ .]" 1
13 2 12 DC H1' 2 12 DC H6 3.760 3.160 4.360 3.760 3.758 3.761 . 0 0 "[ .]" 1
14 1 11 DC H1' 1 11 DC H6 3.760 3.160 4.360 3.762 3.756 3.766 . 0 0 "[ .]" 1
15 1 3 DC H1' 1 3 DC H6 3.750 3.150 4.350 3.757 3.755 3.760 . 0 0 "[ .]" 1
16 2 2 DC H1' 2 2 DC H6 3.750 3.150 4.350 3.751 3.748 3.755 . 0 0 "[ .]" 1
17 1 2 DG H1' 1 3 DC H6 3.550 2.950 4.150 3.461 3.312 3.565 . 0 0 "[ .]" 1
18 2 1 DG H1' 2 2 DC H6 3.490 2.890 4.090 3.468 3.244 3.608 . 0 0 "[ .]" 1
19 1 12 DG H1' 1 13 DC H6 2.850 2.250 3.450 2.971 2.931 3.031 . 0 0 "[ .]" 1
20 1 11 DC H5 1 11 DC H6 2.440 . 3.040 2.438 2.435 2.441 . 0 0 "[ .]" 1
21 2 7 DC H5 2 7 DC H6 2.450 . 2.990 2.429 2.412 2.466 . 0 0 "[ .]" 1
22 2 12 DC H5 2 12 DC H6 2.440 . 3.040 2.443 2.437 2.448 . 0 0 "[ .]" 1
23 1 3 DC H5 1 3 DC H6 2.430 . 3.030 2.437 2.434 2.440 . 0 0 "[ .]" 1
24 2 7 DC H1' 2 7 DC H6 3.530 2.990 3.990 3.627 3.573 3.685 . 0 0 "[ .]" 1
25 2 5 DA H2 2 7 DC H1' 4.190 3.590 4.280 4.132 4.059 4.263 . 0 0 "[ .]" 1
26 1 13 DC H5 1 13 DC H6 2.440 . 3.040 2.441 2.436 2.445 . 0 0 "[ .]" 1
27 1 1 DC H5 1 1 DC H6 2.440 . 3.040 2.434 2.430 2.439 . 0 0 "[ .]" 1
28 1 1 DC H1' 1 1 DC H6 3.750 3.150 4.350 3.759 3.746 3.764 . 0 0 "[ .]" 1
29 2 13 DG H1' 2 13 DG H8 3.910 3.310 4.510 3.911 3.908 3.913 . 0 0 "[ .]" 1
30 1 6 DG H1' 1 6 DG H8 . 3.940 4.520 3.928 3.923 3.934 0.017 3 0 "[ .]" 1
31 1 12 DG H1' 1 12 DG H8 3.910 3.310 4.510 3.921 3.917 3.924 . 0 0 "[ .]" 1
32 1 2 DG H1' 1 2 DG H8 3.920 3.320 4.520 3.920 3.916 3.923 . 0 0 "[ .]" 1
33 2 11 DG H1' 2 11 DG H8 3.920 3.320 4.520 3.915 3.907 3.918 . 0 0 "[ .]" 1
34 2 12 DC H1' 2 13 DG H8 3.190 2.590 3.790 2.850 2.764 2.955 . 0 0 "[ .]" 1
35 2 2 DC H1' 2 3 DG H8 3.710 3.110 4.310 3.952 3.894 4.038 . 0 0 "[ .]" 1
36 1 1 DC H1' 1 2 DG H8 3.530 2.930 4.130 3.388 3.256 3.518 . 0 0 "[ .]" 1
37 1 11 DC H1' 1 12 DG H8 3.210 2.610 3.810 3.345 3.249 3.568 . 0 0 "[ .]" 1
38 1 13 DC H1' 1 13 DC H6 3.760 3.160 4.360 3.760 3.758 3.761 . 0 0 "[ .]" 1
39 1 3 DC H1' 1 4 DA H8 3.830 3.230 4.430 3.485 3.409 3.531 . 0 0 "[ .]" 1
40 2 4 DT H1' 2 5 DA H8 . 4.350 4.940 4.350 4.344 4.366 0.006 1 0 "[ .]" 1
41 1 9 DT H1' 1 10 DA H8 3.670 3.070 4.270 3.443 3.291 3.584 . 0 0 "[ .]" 1
42 2 5 DA H1' 2 5 DA H8 3.800 3.710 4.400 3.790 3.738 3.809 . 0 0 "[ .]" 1
43 1 10 DA H1' 1 10 DA H8 3.920 3.320 4.520 3.914 3.907 3.918 . 0 0 "[ .]" 1
44 1 4 DA H1' 1 4 DA H8 3.930 3.330 4.530 3.919 3.917 3.921 . 0 0 "[ .]" 1
45 2 9 DA H1' 2 9 DA H8 3.910 3.310 4.510 3.909 3.901 3.917 . 0 0 "[ .]" 1
46 1 4 DA H3' 1 5 DT H6 5.160 4.560 5.760 5.207 5.095 5.314 . 0 0 "[ .]" 1
47 2 9 DA H3' 2 10 DT H6 5.160 4.560 5.760 4.997 4.937 5.105 . 0 0 "[ .]" 1
48 1 5 DT H3' 1 5 DT H6 4.400 3.800 5.000 4.374 4.338 4.403 . 0 0 "[ .]" 1
49 2 10 DT H3' 2 10 DT H6 4.250 3.650 4.850 4.246 4.214 4.291 . 0 0 "[ .]" 1
50 2 4 DT H3' 2 4 DT H6 4.380 3.780 4.980 4.356 4.330 4.384 . 0 0 "[ .]" 1
51 2 3 DG H3' 2 4 DT H6 5.500 4.900 6.100 5.441 5.239 5.582 . 0 0 "[ .]" 1
52 1 10 DA H3' 1 11 DC H6 5.100 4.500 5.700 4.906 4.861 4.951 . 0 0 "[ .]" 1
53 2 11 DG H3' 2 12 DC H6 5.500 4.900 6.100 5.153 5.089 5.267 . 0 0 "[ .]" 1
54 1 2 DG H3' 1 3 DC H6 5.310 4.710 5.910 5.342 5.188 5.469 . 0 0 "[ .]" 1
55 1 11 DC H3' 1 11 DC H6 4.210 3.610 4.810 4.281 4.248 4.333 . 0 0 "[ .]" 1
56 2 12 DC H3' 2 12 DC H6 4.350 3.750 4.950 4.370 4.326 4.431 . 0 0 "[ .]" 1
57 1 3 DC H3' 1 3 DC H6 4.290 3.690 4.890 4.247 4.178 4.304 . 0 0 "[ .]" 1
58 2 7 DC H6 2 8 DC H3' 8.410 7.810 9.010 4.526 3.956 4.754 3.854 1 5 [+***-] 1
59 2 7 DC H3' 2 7 DC H6 4.730 4.130 5.120 4.695 4.479 4.915 . 0 0 "[ .]" 1
60 1 1 DC H3' 1 1 DC H6 4.430 3.830 5.030 4.319 4.245 4.369 . 0 0 "[ .]" 1
61 1 1 DC H3' 1 2 DG H8 5.200 4.600 5.800 4.986 4.828 5.197 . 0 0 "[ .]" 1
62 1 2 DG H3' 1 2 DG H8 4.660 4.060 5.260 4.651 4.602 4.694 . 0 0 "[ .]" 1
63 2 3 DG H3' 2 3 DG H8 4.710 4.110 5.310 4.621 4.598 4.642 . 0 0 "[ .]" 1
64 1 12 DG H3' 1 12 DG H8 4.670 4.070 5.270 4.732 4.697 4.779 . 0 0 "[ .]" 1
65 2 11 DG H3' 2 11 DG H8 4.610 4.010 5.210 4.572 4.541 4.604 . 0 0 "[ .]" 1
66 1 6 DG H3' 1 6 DG H8 4.620 4.020 5.010 4.639 4.553 4.742 . 0 0 "[ .]" 1
67 2 2 DC H3' 2 3 DG H8 5.450 4.850 6.050 5.877 5.829 5.918 . 0 0 "[ .]" 1
68 2 1 DG H3' 2 1 DG H8 4.720 4.120 5.320 4.623 4.474 4.701 . 0 0 "[ .]" 1
69 1 11 DC H3' 1 12 DG H8 5.060 4.460 5.660 5.276 5.113 5.540 . 0 0 "[ .]" 1
70 1 5 DT H3' 1 6 DG H8 4.940 4.340 5.540 5.074 4.887 5.235 . 0 0 "[ .]" 1
71 2 10 DT H3' 2 11 DG H8 5.450 4.850 6.050 5.137 4.950 5.431 . 0 0 "[ .]" 1
72 2 5 DA H3' 2 5 DA H8 . 3.760 4.300 4.366 4.361 4.373 0.073 1 0 "[ .]" 1
73 2 4 DT H3' 2 5 DA H8 5.610 5.010 6.210 5.706 5.538 5.791 . 0 0 "[ .]" 1
74 2 8 DC H3' 2 9 DA H8 5.040 4.440 5.640 11.116 10.527 11.770 6.130 5 5 [-***+] 1
75 2 9 DA H3' 2 9 DA H8 4.420 3.820 5.020 4.378 4.303 4.436 . 0 0 "[ .]" 1
76 1 10 DA H3' 1 10 DA H8 4.520 3.920 5.120 4.512 4.473 4.555 . 0 0 "[ .]" 1
77 1 4 DA H3' 1 4 DA H8 4.570 3.970 5.170 4.569 4.497 4.608 . 0 0 "[ .]" 1
78 2 5 DA H3' 2 7 DC H6 7.110 6.510 7.710 7.347 7.120 7.571 . 0 0 "[ .]" 1
79 2 13 DG H3' 2 13 DG H8 4.880 4.280 5.480 4.742 4.650 4.812 . 0 0 "[ .]" 1
80 1 13 DC H3' 1 13 DC H6 4.410 3.810 5.010 4.399 4.382 4.415 . 0 0 "[ .]" 1
81 2 5 DA H2' 2 5 DA H8 1.950 . 2.550 1.950 1.934 1.958 . 0 0 "[ .]" 1
82 2 5 DA H2' 2 7 DC H6 6.150 5.550 6.750 6.330 6.215 6.480 . 0 0 "[ .]" 1
83 1 10 DA H2' 1 10 DA H8 2.300 . 2.900 2.308 2.261 2.335 . 0 0 "[ .]" 1
84 1 10 DA H2'' 1 11 DC H6 2.380 . 2.980 2.234 2.193 2.271 . 0 0 "[ .]" 1
85 1 6 DG H2' 1 6 DG H8 2.300 . 2.900 2.350 2.236 2.426 . 0 0 "[ .]" 1
86 1 6 DG H2' 1 8 DG H8 5.880 5.280 6.480 6.277 6.057 6.383 . 0 0 "[ .]" 1
87 1 10 DA H2' 1 11 DC H6 3.790 3.190 4.390 3.700 3.485 3.768 . 0 0 "[ .]" 1
88 1 2 DG H2' 1 2 DG H8 2.490 . 3.090 2.464 2.401 2.497 . 0 0 "[ .]" 1
89 1 2 DG H2'' 1 3 DC H6 2.580 . 3.180 2.660 2.539 2.760 . 0 0 "[ .]" 1
90 2 1 DG H2'' 2 2 DC H6 2.150 . 2.750 2.416 2.342 2.625 . 0 0 "[ .]" 1
91 1 13 DC H2'' 1 13 DC H6 3.530 2.930 4.130 3.475 3.412 3.508 . 0 0 "[ .]" 1
92 1 12 DG H2' 1 12 DG H8 2.430 . 3.030 2.447 2.412 2.488 . 0 0 "[ .]" 1
93 1 2 DG H2'' 1 2 DG H8 3.810 3.210 4.410 3.784 3.722 3.824 . 0 0 "[ .]" 1
94 1 2 DG H2' 1 3 DC H6 3.950 3.350 4.550 4.171 4.117 4.218 . 0 0 "[ .]" 1
95 2 5 DA H2'' 2 7 DC H6 4.550 4.320 5.150 4.809 4.665 5.011 . 0 0 "[ .]" 1
96 2 5 DA H2'' 2 5 DA H8 2.980 2.840 3.580 2.982 2.831 3.026 0.009 1 0 "[ .]" 1
97 1 12 DG H2'' 1 12 DG H8 3.710 3.110 4.310 3.670 3.620 3.747 . 0 0 "[ .]" 1
98 2 11 DG H2' 2 11 DG H8 2.340 . 2.940 2.325 2.238 2.376 . 0 0 "[ .]" 1
99 2 1 DG H2' 2 2 DC H6 3.580 2.980 4.180 3.901 3.785 4.081 . 0 0 "[ .]" 1
100 2 2 DC H2'' 2 3 DG H8 2.720 2.120 3.320 3.192 3.149 3.220 . 0 0 "[ .]" 1
101 1 3 DC H2'' 1 3 DC H6 3.600 3.000 4.200 3.562 3.539 3.601 . 0 0 "[ .]" 1
102 1 3 DC H2'' 1 4 DA H8 2.540 . 3.140 2.389 2.255 2.545 . 0 0 "[ .]" 1
103 1 1 DC H2'' 1 2 DG H8 2.500 . 3.100 2.297 2.138 2.500 . 0 0 "[ .]" 1
104 1 1 DC H2'' 1 1 DC H6 3.690 3.090 4.290 3.564 3.490 3.703 . 0 0 "[ .]" 1
105 2 12 DC H2'' 2 13 DG H8 2.430 . 3.030 2.381 2.290 2.580 . 0 0 "[ .]" 1
106 2 10 DT H2'' 2 11 DG H8 2.740 2.140 3.340 2.431 2.241 2.723 . 0 0 "[ .]" 1
107 2 10 DT H2'' 2 10 DT H6 3.440 2.840 4.040 3.430 3.387 3.445 . 0 0 "[ .]" 1
108 1 9 DT H2'' 1 10 DA H8 2.150 . 2.750 2.196 2.130 2.252 . 0 0 "[ .]" 1
109 1 11 DC H2'' 1 12 DG H8 2.330 . 2.930 2.575 2.405 2.830 . 0 0 "[ .]" 1
110 1 11 DC H2'' 1 11 DC H6 3.490 2.890 4.090 3.487 3.392 3.560 . 0 0 "[ .]" 1
111 1 5 DT H2'' 1 6 DG H8 . 2.880 3.460 2.866 2.856 2.874 0.024 3 0 "[ .]" 1
112 1 5 DT H2'' 1 5 DT H6 3.440 2.840 4.040 3.272 3.206 3.348 . 0 0 "[ .]" 1
113 1 13 DC H2' 1 13 DC H6 2.160 . 2.760 2.117 2.081 2.145 . 0 0 "[ .]" 1
114 2 4 DT H2'' 2 5 DA H8 2.950 2.880 3.550 3.037 2.909 3.118 . 0 0 "[ .]" 1
115 2 4 DT H2'' 2 4 DT H6 3.620 3.020 4.220 3.598 3.541 3.673 . 0 0 "[ .]" 1
116 2 2 DC H2' 2 2 DC H6 2.180 . 2.780 2.021 2.004 2.045 . 0 0 "[ .]" 1
117 2 2 DC H2' 2 3 DG H8 3.820 3.220 4.420 4.169 4.110 4.221 . 0 0 "[ .]" 1
118 1 3 DC H2' 1 4 DA H8 3.810 3.210 4.410 3.731 3.548 3.876 . 0 0 "[ .]" 1
119 1 3 DC H2' 1 3 DC H6 2.190 . 2.790 2.140 2.096 2.160 . 0 0 "[ .]" 1
120 2 7 DC H2' 2 7 DC H6 2.770 2.420 3.370 2.657 2.417 2.918 0.003 1 0 "[ .]" 1
121 2 10 DT H2' 2 11 DG H8 3.800 3.200 4.400 3.835 3.667 4.101 . 0 0 "[ .]" 1
122 2 10 DT H2' 2 10 DT H6 2.080 . 2.680 2.062 2.051 2.076 . 0 0 "[ .]" 1
123 1 1 DC H2' 1 2 DG H8 3.760 3.160 4.360 3.545 3.261 3.807 . 0 0 "[ .]" 1
124 1 1 DC H2' 1 1 DC H6 2.290 . 2.890 2.151 2.058 2.239 . 0 0 "[ .]" 1
125 1 9 DT H2' 1 10 DA H8 3.340 2.740 3.940 3.559 3.424 3.665 . 0 0 "[ .]" 1
126 2 12 DC H2' 2 13 DG H8 3.990 3.390 4.590 4.093 3.974 4.266 . 0 0 "[ .]" 1
127 1 11 DC H2' 1 11 DC H6 2.090 . 2.690 2.113 2.088 2.140 . 0 0 "[ .]" 1
128 1 11 DC H2' 1 12 DG H8 3.730 3.130 4.330 3.931 3.773 4.087 . 0 0 "[ .]" 1
129 2 8 DC Q2' 2 9 DA H8 . 2.690 3.020 10.080 9.690 10.560 7.540 5 5 [***-+] 1
130 2 4 DT H2' 2 5 DA H8 4.420 4.420 5.020 4.472 4.406 4.585 0.014 1 0 "[ .]" 1
131 2 4 DT H2' 2 4 DT H6 2.250 . 2.850 2.227 2.209 2.269 . 0 0 "[ .]" 1
132 1 5 DT H2' 1 6 DG H8 4.590 3.990 4.640 4.489 4.418 4.551 . 0 0 "[ .]" 1
133 1 5 DT H2' 1 5 DT H6 2.160 . 2.760 2.067 2.032 2.097 . 0 0 "[ .]" 1
134 1 10 DA H8 1 11 DC H5 3.620 3.020 4.220 3.613 3.447 3.805 . 0 0 "[ .]" 1
135 2 5 DA H8 2 7 DC H5 4.840 4.240 5.440 4.974 4.845 5.183 . 0 0 "[ .]" 1
136 1 2 DG H8 1 3 DC H5 4.060 3.460 4.660 4.272 4.146 4.366 . 0 0 "[ .]" 1
137 2 1 DG H8 2 2 DC H5 4.160 3.560 4.760 4.266 4.011 4.467 . 0 0 "[ .]" 1
138 2 11 DG H8 2 12 DC H5 3.880 3.280 4.480 3.735 3.648 3.831 . 0 0 "[ .]" 1
139 2 9 DA H2 2 10 DT H1' 4.330 3.730 4.930 4.395 4.080 4.540 . 0 0 "[ .]" 1
140 1 10 DA H2 1 11 DC H1' 4.120 3.520 4.720 4.082 3.862 4.323 . 0 0 "[ .]" 1
141 2 5 DA H4' 2 5 DA H8 5.030 5.000 5.630 5.029 5.008 5.093 . 0 0 "[ .]" 1
142 2 12 DC H4' 2 12 DC H6 4.820 4.220 5.420 4.777 4.729 4.832 . 0 0 "[ .]" 1
143 2 7 DC H4' 2 7 DC H6 4.340 3.740 4.710 4.419 4.406 4.436 . 0 0 "[ .]" 1
144 1 10 DA H2'' 1 10 DA H8 3.630 3.030 4.230 3.659 3.565 3.722 . 0 0 "[ .]" 1
145 1 12 DG H1' 1 12 DG H2' 3.020 2.420 3.620 3.019 3.016 3.021 . 0 0 "[ .]" 1
146 1 12 DG H1' 1 12 DG H2'' 2.440 . 3.040 2.465 2.459 2.469 . 0 0 "[ .]" 1
147 1 6 DG H1' 1 6 DG H2'' 2.510 . 2.760 2.504 2.499 2.508 . 0 0 "[ .]" 1
148 1 6 DG H1' 1 6 DG H2' 3.060 2.470 3.470 3.053 3.049 3.056 . 0 0 "[ .]" 1
149 2 9 DA H1' 2 9 DA Q2' 2.990 2.390 3.090 2.375 2.372 2.379 0.018 1 0 "[ .]" 1
150 2 5 DA H1' 2 5 DA H2'' 2.430 . 2.900 2.442 2.429 2.472 . 0 0 "[ .]" 1
151 2 5 DA H1' 2 5 DA H2' 3.110 2.510 3.280 3.110 3.107 3.114 . 0 0 "[ .]" 1
152 1 2 DG H1' 1 2 DG H2'' 2.470 . 3.070 2.481 2.476 2.486 . 0 0 "[ .]" 1
153 1 2 DG H1' 1 2 DG H2' 3.000 2.400 3.600 3.004 3.001 3.008 . 0 0 "[ .]" 1
154 1 1 DC H2'' 1 2 DG H1' 5.690 5.090 6.290 5.502 5.236 5.758 . 0 0 "[ .]" 1
155 1 5 DT H1' 1 5 DT H2'' 2.520 . 3.120 2.503 2.483 2.527 . 0 0 "[ .]" 1
156 2 2 DC H1' 2 2 DC H2' 3.010 2.410 3.610 3.031 3.030 3.033 . 0 0 "[ .]" 1
157 2 4 DT H1' 2 4 DT H2'' 2.500 . 3.100 2.492 2.484 2.502 . 0 0 "[ .]" 1
158 1 3 DC H1' 1 3 DC H2' 3.010 2.410 3.610 3.024 3.021 3.028 . 0 0 "[ .]" 1
159 2 4 DT H1' 2 4 DT H2' 3.010 2.410 3.610 3.005 2.999 3.009 . 0 0 "[ .]" 1
160 2 10 DT H1' 2 10 DT H2' 3.010 2.410 3.610 3.023 3.022 3.025 . 0 0 "[ .]" 1
161 1 5 DT H1' 1 5 DT H2' 2.990 2.390 3.590 3.017 3.013 3.021 . 0 0 "[ .]" 1
162 2 12 DC H2' 2 12 DC H5 4.430 3.830 5.030 4.424 4.394 4.451 . 0 0 "[ .]" 1
163 1 11 DC H2' 1 11 DC H5 4.360 3.760 4.960 4.388 4.367 4.415 . 0 0 "[ .]" 1
164 1 11 DC H1' 1 11 DC H2' 3.010 2.410 3.610 3.021 3.019 3.022 . 0 0 "[ .]" 1
165 1 3 DC H1' 1 3 DC H2'' 2.490 . 3.090 2.473 2.470 2.477 . 0 0 "[ .]" 1
166 2 2 DC H1' 2 2 DC H2'' 2.490 . 3.090 2.477 2.475 2.480 . 0 0 "[ .]" 1
167 2 10 DT H1' 2 10 DT H2'' 2.480 . 3.080 2.475 2.473 2.476 . 0 0 "[ .]" 1
168 1 8 DG H1' 1 8 DG Q2' . 2.370 2.490 2.354 2.341 2.359 0.029 5 0 "[ .]" 1
169 2 11 DG H2' 2 12 DC H5 4.560 3.960 5.160 4.120 4.059 4.342 . 0 0 "[ .]" 1
170 2 11 DG H2'' 2 12 DC H5 4.160 3.560 4.760 3.818 3.718 4.015 . 0 0 "[ .]" 1
171 1 10 DA H2'' 1 11 DC H5 3.580 2.980 4.180 3.335 3.239 3.564 . 0 0 "[ .]" 1
172 2 2 DC H2' 2 2 DC H5 4.400 3.800 5.000 4.297 4.275 4.325 . 0 0 "[ .]" 1
173 2 7 DC H1' 2 7 DC H2' 3.080 2.480 3.090 3.106 3.101 3.111 0.021 1 0 "[ .]" 1
174 2 7 DC H1' 2 7 DC H2'' 2.770 2.170 2.950 2.746 2.728 2.755 . 0 0 "[ .]" 1
175 2 1 DG H2'' 2 2 DC H5 3.350 2.750 3.950 3.379 3.289 3.524 . 0 0 "[ .]" 1
176 2 11 DG H1' 2 11 DG H2' 3.000 2.400 3.600 3.021 3.020 3.022 . 0 0 "[ .]" 1
177 2 11 DG H1' 2 11 DG H2'' 2.480 . 3.080 2.480 2.478 2.484 . 0 0 "[ .]" 1
178 2 12 DC H1' 2 12 DC H2'' 2.480 . 3.080 2.482 2.476 2.486 . 0 0 "[ .]" 1
179 1 10 DA H1' 1 10 DA H2'' 2.490 . 3.090 2.481 2.478 2.483 . 0 0 "[ .]" 1
180 1 10 DA H1' 1 10 DA H2' 3.010 2.410 3.610 3.023 3.021 3.024 . 0 0 "[ .]" 1
181 2 5 DA H2' 2 7 DC H5 5.260 5.240 5.860 5.456 5.256 5.705 . 0 0 "[ .]" 1
182 2 5 DA H1' 2 5 DA H3' . 3.960 4.510 3.916 3.913 3.920 0.047 3 0 "[ .]" 1
183 2 5 DA H1' 2 5 DA H4' 3.320 3.310 3.920 3.319 3.304 3.361 0.006 5 0 "[ .]" 1
184 2 5 DA H1' 2 7 DC H1' 5.890 5.290 6.490 6.344 6.289 6.394 . 0 0 "[ .]" 1
185 2 5 DA H1' 2 7 DC H5 4.180 3.580 4.780 4.275 3.679 4.679 . 0 0 "[ .]" 1
186 1 10 DA H1' 1 10 DA H3' 3.750 3.150 4.350 3.745 3.735 3.756 . 0 0 "[ .]" 1
187 2 9 DA H1' 2 9 DA H3' 3.780 3.180 4.380 3.792 3.786 3.802 . 0 0 "[ .]" 1
188 2 9 DA H1' 2 9 DA H5' 4.480 3.880 5.080 4.483 4.472 4.496 . 0 0 "[ .]" 1
189 1 13 DC H1' 1 13 DC H5' 4.690 4.090 5.290 4.692 4.684 4.702 . 0 0 "[ .]" 1
190 1 13 DC H1' 1 13 DC H3' 3.700 3.100 4.300 3.704 3.696 3.716 . 0 0 "[ .]" 1
191 2 13 DG H1' 2 13 DG H4' 3.240 2.640 3.840 3.410 3.341 3.460 . 0 0 "[ .]" 1
192 2 13 DG H1' 2 13 DG H3' 3.660 3.060 4.260 3.717 3.690 3.738 . 0 0 "[ .]" 1
193 1 6 DG H1' 1 6 DG H4' 3.310 2.740 3.740 3.196 3.137 3.259 . 0 0 "[ .]" 1
194 1 6 DG H1' 1 6 DG H3' 3.700 3.490 4.300 3.680 3.642 3.707 . 0 0 "[ .]" 1
195 2 1 DG H1' 2 1 DG H4' 3.350 2.750 3.950 3.421 3.357 3.466 . 0 0 "[ .]" 1
196 2 1 DG H1' 2 1 DG H3' 3.740 3.140 4.340 3.754 3.739 3.787 . 0 0 "[ .]" 1
197 2 1 DG H1' 2 2 DC H5 4.810 4.210 5.410 4.748 4.640 4.849 . 0 0 "[ .]" 1
198 1 6 DG H1' 1 8 DG H1' 7.530 6.930 8.130 7.726 7.464 8.030 . 0 0 "[ .]" 1
199 2 3 DG H1' 2 3 DG H4' 2.830 2.230 3.430 2.836 2.829 2.845 . 0 0 "[ .]" 1
200 1 2 DG H1' 1 2 DG H4' 2.860 2.260 3.460 2.866 2.852 2.888 . 0 0 "[ .]" 1
201 1 2 DG H1' 1 2 DG H3' 3.720 3.120 4.320 3.727 3.717 3.743 . 0 0 "[ .]" 1
202 2 11 DG H1' 2 11 DG H3' 3.720 3.120 4.320 3.719 3.710 3.728 . 0 0 "[ .]" 1
203 2 12 DC H1' 2 12 DC H5 5.470 4.870 6.070 5.475 5.465 5.479 . 0 0 "[ .]" 1
204 1 2 DG H1' 1 3 DC H5 4.860 4.260 5.460 4.649 4.429 4.850 . 0 0 "[ .]" 1
205 2 11 DG H1' 2 11 DG H4' 2.830 2.230 3.430 3.004 2.983 3.033 . 0 0 "[ .]" 1
206 2 12 DC H1' 2 12 DC H4' 2.830 2.230 3.430 2.901 2.852 2.941 . 0 0 "[ .]" 1
207 1 8 DG H1' 1 8 DG H4' 3.320 3.150 3.920 3.235 3.147 3.365 0.003 2 0 "[ .]" 1
208 1 5 DT H1' 1 5 DT H5' 4.560 3.960 5.160 4.639 4.607 4.661 . 0 0 "[ .]" 1
209 1 5 DT H1' 1 5 DT H4' 2.800 2.200 3.400 2.942 2.885 2.993 . 0 0 "[ .]" 1
210 1 5 DT H1' 1 5 DT H3' 3.680 3.080 4.280 3.657 3.653 3.661 . 0 0 "[ .]" 1
211 2 7 DC H1' 2 7 DC H3' . 4.200 4.670 4.069 4.066 4.071 0.134 3 0 "[ .]" 1
212 2 7 DC H1' 2 7 DC H4' 2.920 2.870 3.520 3.098 3.069 3.135 . 0 0 "[ .]" 1
213 1 6 DG H2'' 1 6 DG H3' 2.720 2.720 3.320 2.717 2.716 2.719 0.004 1 0 "[ .]" 1
214 2 5 DA H2' 2 5 DA H3' 2.450 . 2.840 2.452 2.446 2.456 . 0 0 "[ .]" 1
215 2 5 DA H2'' 2 5 DA H3' . 3.100 3.590 2.983 2.974 2.987 0.126 1 0 "[ .]" 1
216 2 1 DG H2'' 2 1 DG H3' 2.700 2.100 3.300 2.690 2.618 2.709 . 0 0 "[ .]" 1
217 2 1 DG H2' 2 1 DG H3' 2.440 . 3.040 2.438 2.418 2.458 . 0 0 "[ .]" 1
218 1 8 DG Q2' 1 8 DG H3' 2.440 2.330 3.040 2.260 2.252 2.265 0.078 5 0 "[ .]" 1
219 2 5 DA H2' 2 5 DA H4' 3.640 3.040 3.900 3.639 3.624 3.646 . 0 0 "[ .]" 1
220 2 7 DC H2'' 2 7 DC H3' 2.810 2.780 3.410 2.786 2.778 2.800 0.002 1 0 "[ .]" 1
221 2 7 DC H2' 2 7 DC H3' 2.410 2.100 3.010 2.423 2.394 2.441 . 0 0 "[ .]" 1
222 1 1 DC H2' 1 1 DC H3' 2.440 . 3.040 2.422 2.413 2.427 . 0 0 "[ .]" 1
223 1 1 DC H2'' 1 1 DC H3' 2.700 2.100 3.300 2.701 2.696 2.703 . 0 0 "[ .]" 1
224 2 5 DA H2'' 2 5 DA H4' 4.130 3.760 4.730 4.138 4.129 4.169 . 0 0 "[ .]" 1
225 2 12 DC H2'' 2 12 DC H3' 2.740 2.140 3.340 2.718 2.712 2.724 . 0 0 "[ .]" 1
226 1 5 DT H2'' 1 5 DT H3' 2.730 2.130 3.330 2.694 2.668 2.715 . 0 0 "[ .]" 1
227 2 2 DC H2' 2 2 DC H3' 2.360 . 2.960 2.353 2.343 2.368 . 0 0 "[ .]" 1
228 2 7 DC H2'' 2 7 DC H4' 3.910 3.310 3.970 3.964 3.938 3.978 0.008 4 0 "[ .]" 1
229 2 7 DC H2' 2 7 DC H4' . 2.900 3.450 3.498 3.496 3.500 0.050 2 0 "[ .]" 1
230 2 5 DA H2' 2 7 DC H4' 9.320 8.720 9.920 9.520 9.423 9.664 . 0 0 "[ .]" 1
231 1 2 DG H2' 1 2 DG H4' 3.710 3.110 4.310 3.711 3.710 3.712 . 0 0 "[ .]" 1
232 1 6 DG H2'' 1 6 DG H4' 4.180 4.030 4.780 4.139 4.130 4.153 . 0 0 "[ .]" 1
233 1 3 DC H2' 1 3 DC H4' 3.710 3.110 4.310 3.676 3.672 3.681 . 0 0 "[ .]" 1
234 1 3 DC H2'' 1 3 DC H4' 3.990 3.390 4.590 4.038 4.026 4.045 . 0 0 "[ .]" 1
235 2 11 DG H4' 2 12 DC H2' 6.850 6.250 7.450 6.871 6.856 6.889 . 0 0 "[ .]" 1
236 2 12 DC H2' 2 12 DC H3' 2.360 . 2.960 2.381 2.372 2.395 . 0 0 "[ .]" 1
237 2 4 DT H2' 2 4 DT H3' 2.370 . 2.970 2.363 2.348 2.373 . 0 0 "[ .]" 1
238 2 4 DT H2'' 2 4 DT H3' 2.740 2.140 3.340 2.743 2.737 2.747 . 0 0 "[ .]" 1
239 1 3 DC H2' 1 3 DC H3' 2.360 . 2.960 2.358 2.337 2.372 . 0 0 "[ .]" 1
240 1 4 DA Q2' 1 4 DA H4' 3.990 3.390 4.310 3.411 3.408 3.415 . 0 0 "[ .]" 1
241 1 11 DC H2' 1 11 DC H3' 2.330 . 2.930 2.357 2.352 2.367 . 0 0 "[ .]" 1
242 1 11 DC H2'' 1 11 DC H3' 2.730 2.130 3.330 2.718 2.716 2.719 . 0 0 "[ .]" 1
243 1 1 DC H3' 1 1 DC H4' 2.700 2.100 3.300 2.694 2.678 2.706 . 0 0 "[ .]" 1
244 1 13 DC H3' 1 13 DC H4' 2.680 2.080 3.280 2.676 2.672 2.679 . 0 0 "[ .]" 1
245 2 5 DA H2' 2 5 DA H2'' 1.810 . 1.890 1.804 1.801 1.806 . 0 0 "[ .]" 1
246 1 4 DA H2' 1 4 DA H2'' 1.810 . 2.410 1.809 1.807 1.810 . 0 0 "[ .]" 1
247 1 11 DC H2'' 1 11 DC H5 5.370 4.770 5.970 5.369 5.312 5.408 . 0 0 "[ .]" 1
248 2 12 DC H2'' 2 12 DC H5 5.350 4.750 5.950 5.329 5.301 5.346 . 0 0 "[ .]" 1
249 1 10 DA H2' 1 11 DC H5 3.920 3.320 4.520 3.699 3.663 3.751 . 0 0 "[ .]" 1
250 1 6 DG H4' 1 6 DG H8 4.860 4.260 5.460 4.860 4.772 4.950 . 0 0 "[ .]" 1
251 2 11 DG H4' 2 11 DG H8 5.140 4.540 5.740 4.992 4.956 5.091 . 0 0 "[ .]" 1
252 2 1 DG H4' 2 1 DG H8 4.720 4.120 5.320 4.763 4.642 4.920 . 0 0 "[ .]" 1
253 1 2 DG H4' 1 2 DG H8 5.000 4.400 5.600 5.001 4.938 5.051 . 0 0 "[ .]" 1
254 1 2 DG H5'' 1 2 DG H8 5.410 4.810 6.010 5.386 5.296 5.474 . 0 0 "[ .]" 1
255 1 5 DT H4' 1 5 DT H6 4.820 4.220 5.420 4.902 4.855 4.964 . 0 0 "[ .]" 1
256 1 3 DC H4' 1 3 DC H6 4.670 4.070 5.270 4.606 4.552 4.657 . 0 0 "[ .]" 1
257 1 9 DT H4' 1 9 DT H6 4.670 4.070 5.270 4.720 4.684 4.755 . 0 0 "[ .]" 1
258 2 5 DA H1' 2 5 DA H2 . 3.910 4.500 4.513 4.510 4.520 0.020 1 0 "[ .]" 1
259 1 10 DA H1' 1 10 DA H2 4.530 3.930 5.130 4.539 4.530 4.555 . 0 0 "[ .]" 1
260 2 9 DA H1' 2 9 DA H2 4.500 3.900 5.100 4.527 4.501 4.551 . 0 0 "[ .]" 1
261 2 1 DG H2'' 2 1 DG H8 3.940 3.340 4.540 3.766 3.485 3.887 . 0 0 "[ .]" 1
262 2 5 DA H2'' 2 7 DC H5 4.020 4.020 4.620 4.263 4.009 4.521 0.011 1 0 "[ .]" 1
263 2 7 DC H2' 2 7 DC H5 4.660 4.520 5.260 4.600 4.509 4.751 0.011 1 0 "[ .]" 1
264 2 5 DA H2 2 7 DC H2'' 6.310 5.710 6.630 6.341 6.255 6.430 . 0 0 "[ .]" 1
265 2 5 DA H2 2 7 DC H2' 6.300 5.700 6.500 6.132 6.064 6.249 . 0 0 "[ .]" 1
266 1 11 DC H1' 1 11 DC H2'' 2.470 . 3.070 2.475 2.471 2.477 . 0 0 "[ .]" 1
267 1 8 DG H3' 1 8 DG H4' . 2.750 3.330 2.740 2.735 2.744 0.015 5 0 "[ .]" 1
268 2 10 DT H4' 2 10 DT H6 4.790 4.190 5.390 4.740 4.714 4.799 . 0 0 "[ .]" 1
269 2 5 DA H1' 2 7 DC H5' 5.460 4.860 6.060 5.235 4.958 5.396 . 0 0 "[ .]" 1
270 2 5 DA H1' 2 7 DC H4' 6.550 5.950 7.150 6.695 6.630 6.815 . 0 0 "[ .]" 1
271 1 8 DG H4' 1 8 DG H8 . 4.860 5.420 4.867 4.833 4.939 0.027 5 0 "[ .]" 1
272 1 10 DA H1' 1 11 DC H1' 5.280 4.680 5.880 5.199 5.141 5.291 . 0 0 "[ .]" 1
273 1 4 DA H4' 1 5 DT H6 6.030 5.430 6.630 6.270 6.195 6.335 . 0 0 "[ .]" 1
274 2 4 DT H4' 2 4 DT H6 4.710 4.110 5.310 4.712 4.631 4.790 . 0 0 "[ .]" 1
275 1 11 DC H4' 1 11 DC H6 4.780 4.180 5.380 4.720 4.633 4.835 . 0 0 "[ .]" 1
276 1 13 DC H4' 1 13 DC H6 4.590 3.990 5.190 4.638 4.588 4.696 . 0 0 "[ .]" 1
277 1 12 DG H4' 1 13 DC H6 5.600 5.000 6.200 5.512 5.470 5.559 . 0 0 "[ .]" 1
278 1 1 DC H4' 1 1 DC H6 4.500 3.900 5.100 4.526 4.330 4.596 . 0 0 "[ .]" 1
279 2 13 DG H4' 2 13 DG H8 5.030 4.430 5.630 4.804 4.744 4.897 . 0 0 "[ .]" 1
280 1 12 DG H4' 1 12 DG H8 5.000 4.400 5.600 5.021 4.962 5.082 . 0 0 "[ .]" 1
281 2 3 DG H4' 2 3 DG H8 5.050 4.450 5.650 5.050 5.018 5.087 . 0 0 "[ .]" 1
282 1 12 DG H3' 1 13 DC H6 4.690 4.090 5.290 4.753 4.684 4.861 . 0 0 "[ .]" 1
283 1 13 DC H1' 1 13 DC H4' 3.420 2.820 4.020 3.431 3.405 3.451 . 0 0 "[ .]" 1
284 1 10 DA H1' 1 11 DC H4' 4.630 4.030 5.230 4.586 4.473 4.719 . 0 0 "[ .]" 1
285 1 10 DA H1' 1 10 DA H5' 4.600 4.000 5.200 4.688 4.674 4.708 . 0 0 "[ .]" 1
286 1 10 DA H1' 1 10 DA H4' 2.900 2.300 3.500 3.041 3.017 3.076 . 0 0 "[ .]" 1
287 1 12 DG H1' 1 13 DC H5 3.740 3.140 4.340 3.730 3.660 3.769 . 0 0 "[ .]" 1
288 2 11 DG H3' 2 12 DC H5 6.640 6.040 7.240 6.195 6.140 6.411 . 0 0 "[ .]" 1
289 1 2 DG H3' 1 3 DC H5 6.310 5.710 6.910 6.203 5.952 6.447 . 0 0 "[ .]" 1
290 1 1 DC H4' 1 1 DC H5' 2.450 . 3.050 2.443 2.440 2.446 . 0 0 "[ .]" 1
291 1 12 DG H1' 1 12 DG H4' 3.320 2.720 3.920 3.063 3.046 3.077 . 0 0 "[ .]" 1
292 1 12 DG H3' 1 13 DC H5 5.120 4.520 5.720 5.139 5.032 5.268 . 0 0 "[ .]" 1
293 1 11 DC H1' 1 11 DC H4' 3.000 2.400 3.600 2.974 2.925 3.004 . 0 0 "[ .]" 1
294 1 11 DC H1' 1 11 DC H3' 3.770 3.170 4.370 3.708 3.685 3.730 . 0 0 "[ .]" 1
295 1 8 DG H5'' 1 8 DG H8 4.850 4.250 5.450 4.949 4.689 5.170 . 0 0 "[ .]" 1
296 1 3 DC H5' 1 3 DC H6 4.330 3.730 4.930 4.177 4.075 4.288 . 0 0 "[ .]" 1
297 1 3 DC H5'' 1 3 DC H6 5.010 4.410 5.610 4.817 4.723 4.935 . 0 0 "[ .]" 1
298 2 1 DG H1' 2 1 DG H5' 4.730 4.130 5.330 4.701 4.587 4.738 . 0 0 "[ .]" 1
299 1 1 DC H1' 1 1 DC H2'' 2.450 . 3.050 2.447 2.439 2.455 . 0 0 "[ .]" 1
300 2 2 DC H5 2 2 DC H6 2.390 . 2.990 2.402 2.394 2.407 . 0 0 "[ .]" 1
301 2 1 DG H1' 2 1 DG H8 3.900 3.300 4.500 3.917 3.905 3.923 . 0 0 "[ .]" 1
302 2 3 DG H1' 2 3 DG H8 3.850 3.250 4.450 3.923 3.920 3.925 . 0 0 "[ .]" 1
303 1 5 DT H1' 1 6 DG H8 2.870 2.270 3.470 2.942 2.867 3.066 . 0 0 "[ .]" 1
304 2 10 DT H1' 2 11 DG H8 3.340 2.740 3.940 3.389 3.302 3.636 . 0 0 "[ .]" 1
305 2 1 DG H2' 2 1 DG H8 2.150 . 2.750 2.400 2.165 2.526 . 0 0 "[ .]" 1
306 1 6 DG H2'' 1 8 DG H8 4.730 4.130 5.330 4.611 4.372 4.782 . 0 0 "[ .]" 1
307 2 7 DC H2'' 2 7 DC H6 3.740 3.140 4.340 4.049 3.862 4.240 . 0 0 "[ .]" 1
308 2 2 DC H2'' 2 2 DC H6 3.300 2.700 3.900 3.363 3.344 3.379 . 0 0 "[ .]" 1
309 2 12 DC H2'' 2 12 DC H6 3.470 2.870 4.070 3.471 3.453 3.484 . 0 0 "[ .]" 1
310 1 9 DT H2'' 1 9 DT H6 3.590 2.990 4.190 3.475 3.434 3.559 . 0 0 "[ .]" 1
311 2 12 DC H2' 2 12 DC H6 2.180 . 2.780 2.145 2.123 2.173 . 0 0 "[ .]" 1
312 1 9 DT H2' 1 9 DT H6 2.210 . 2.810 2.113 2.080 2.176 . 0 0 "[ .]" 1
313 2 9 DA H4' 2 9 DA H8 4.940 4.340 5.540 4.905 4.864 4.967 . 0 0 "[ .]" 1
314 1 4 DA H4' 1 4 DA H8 4.940 4.340 5.540 4.954 4.919 4.978 . 0 0 "[ .]" 1
315 1 13 DC H2' 2 1 DG H1' 12.160 11.560 12.760 12.018 11.935 12.119 . 0 0 "[ .]" 1
316 1 13 DC H2'' 2 1 DG H1' 11.420 10.820 12.020 11.133 10.998 11.313 . 0 0 "[ .]" 1
317 1 13 DC H1' 1 13 DC H2' 3.110 2.510 3.710 3.033 3.032 3.034 . 0 0 "[ .]" 1
318 1 13 DC H1' 1 13 DC H2'' 2.530 . 3.130 2.421 2.418 2.427 . 0 0 "[ .]" 1
319 2 1 DG H1' 2 1 DG H2' 3.040 2.440 3.640 3.035 3.032 3.040 . 0 0 "[ .]" 1
320 2 3 DG H1' 2 3 DG Q2' 2.960 2.360 3.090 2.359 2.355 2.361 0.005 1 0 "[ .]" 1
321 2 1 DG H1' 2 1 DG H2'' 2.440 . 3.040 2.441 2.430 2.450 . 0 0 "[ .]" 1
322 2 12 DC H1' 2 12 DC H2' 2.970 2.370 3.570 3.019 3.012 3.022 . 0 0 "[ .]" 1
323 1 1 DC H1' 1 1 DC H2' 3.040 2.440 3.640 3.037 3.035 3.042 . 0 0 "[ .]" 1
324 2 1 DG H2' 2 2 DC H5 4.330 3.730 4.930 3.890 3.825 4.147 . 0 0 "[ .]" 1
325 1 4 DA H1' 1 4 DA H4' 2.960 2.360 3.560 3.002 2.988 3.048 . 0 0 "[ .]" 1
326 2 9 DA H1' 2 9 DA H4' 2.670 2.070 3.270 2.660 2.639 2.680 . 0 0 "[ .]" 1
327 2 3 DG H1' 2 3 DG H3' 3.670 3.070 4.270 3.708 3.703 3.716 . 0 0 "[ .]" 1
328 1 12 DG H1' 1 12 DG H3' 3.930 3.330 4.530 3.655 3.644 3.662 . 0 0 "[ .]" 1
329 1 3 DC H1' 1 3 DC H3' 3.770 3.170 4.370 3.725 3.708 3.745 . 0 0 "[ .]" 1
330 2 4 DT H1' 2 4 DT H3' 3.720 3.120 4.320 3.709 3.696 3.723 . 0 0 "[ .]" 1
331 1 3 DC H1' 1 3 DC H4' 2.880 2.280 3.480 3.039 2.981 3.077 . 0 0 "[ .]" 1
332 2 4 DT H1' 2 4 DT H4' 2.840 2.240 3.440 2.836 2.824 2.858 . 0 0 "[ .]" 1
333 2 3 DG H1' 2 3 DG H5' 4.570 3.970 5.170 4.642 4.638 4.647 . 0 0 "[ .]" 1
334 2 3 DG H1' 2 3 DG H5'' 4.740 4.140 5.340 4.805 4.798 4.810 . 0 0 "[ .]" 1
335 1 13 DC H2' 1 13 DC H3' 2.470 . 3.070 2.459 2.455 2.464 . 0 0 "[ .]" 1
336 1 13 DC H2'' 1 13 DC H3' 2.740 2.140 3.340 2.707 2.705 2.710 . 0 0 "[ .]" 1
337 1 3 DC H2'' 1 3 DC H3' 2.730 2.130 3.330 2.711 2.706 2.716 . 0 0 "[ .]" 1
338 2 2 DC H2'' 2 2 DC H3' 2.740 2.140 3.340 2.715 2.711 2.720 . 0 0 "[ .]" 1
339 1 6 DG H2'' 1 6 DG H8 3.630 3.030 4.230 3.658 3.542 3.781 . 0 0 "[ .]" 1
340 2 11 DG H2'' 2 11 DG H8 3.820 3.220 4.420 3.622 3.469 3.691 . 0 0 "[ .]" 1
341 1 4 DA H1' 1 5 DT H1' 5.350 4.750 5.950 5.326 5.232 5.484 . 0 0 "[ .]" 1
342 2 9 DA H1' 2 10 DT H1' 5.460 4.860 6.060 5.527 5.316 5.757 . 0 0 "[ .]" 1
343 1 13 DC H2' 1 13 DC H5 4.310 3.710 4.910 4.425 4.415 4.436 . 0 0 "[ .]" 1
344 1 13 DC H2'' 1 13 DC H5 5.430 4.830 6.030 5.413 5.374 5.436 . 0 0 "[ .]" 1
345 2 9 DA H8 2 10 DT M7 . 3.940 4.440 2.954 2.888 3.079 1.052 2 5 [*+**-] 1
346 1 9 DT H6 1 9 DT M7 . 3.120 3.230 2.364 2.359 2.369 0.761 2 5 [*+**-] 1
347 2 10 DT H6 2 10 DT M7 . 3.110 3.360 2.366 2.362 2.370 0.748 1 5 [+**-*] 1
348 1 5 DT H6 1 5 DT M7 . 3.100 3.200 2.361 2.358 2.366 0.742 1 5 [+*-**] 1
349 2 4 DT H6 2 4 DT M7 . 3.110 3.250 2.372 2.368 2.377 0.742 4 5 [-**+*] 1
350 1 8 DG H8 1 9 DT M7 . 3.060 3.260 2.685 2.558 2.811 0.502 3 1 "[ + .]" 1
351 1 4 DA H8 1 5 DT M7 . 3.040 3.320 2.769 2.637 2.935 0.403 1 0 "[ .]" 1
352 2 3 DG H1' 2 4 DT M7 4.350 3.750 4.950 4.107 4.013 4.208 . 0 0 "[ .]" 1
353 2 3 DG H3' 2 4 DT M7 5.470 4.870 6.070 5.065 4.928 5.167 . 0 0 "[ .]" 1
354 2 9 DA Q2' 2 10 DT M7 . 3.600 3.960 2.221 2.122 2.339 1.478 3 5 [*-+**] 1
355 2 5 DA H3' 2 5 DA H4' 2.970 2.470 3.200 2.603 2.593 2.607 . 0 0 "[ .]" 1
356 2 7 DC H3' 2 7 DC H4' 2.360 2.200 2.860 2.732 2.712 2.754 . 0 0 "[ .]" 1
357 2 7 DC H3' 2 7 DC H5' 3.790 3.290 4.290 3.611 3.572 3.649 . 0 0 "[ .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 29
_Distance_constraint_stats_list.Viol_count 25
_Distance_constraint_stats_list.Viol_total 0.221
_Distance_constraint_stats_list.Viol_max 0.005
_Distance_constraint_stats_list.Viol_rms 0.0009
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0018
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 0.001 0.001 5 0 "[ .]"
1 2 DG 0.000 0.000 5 0 "[ .]"
1 3 DC 0.000 0.000 . 0 "[ .]"
1 4 DA 0.000 0.000 . 0 "[ .]"
1 5 DT 0.000 0.000 . 0 "[ .]"
1 8 DG 0.015 0.002 3 0 "[ .]"
1 9 DT 0.019 0.005 4 0 "[ .]"
1 10 DA 0.000 0.000 4 0 "[ .]"
1 11 DC 0.000 0.000 . 0 "[ .]"
1 12 DG 0.009 0.003 4 0 "[ .]"
1 13 DC 0.000 0.000 . 0 "[ .]"
2 1 DG 0.000 0.000 . 0 "[ .]"
2 2 DC 0.009 0.003 4 0 "[ .]"
2 3 DG 0.000 0.000 . 0 "[ .]"
2 4 DT 0.000 0.000 4 0 "[ .]"
2 5 DA 0.019 0.005 4 0 "[ .]"
2 7 DC 0.015 0.002 3 0 "[ .]"
2 9 DA 0.000 0.000 . 0 "[ .]"
2 10 DT 0.000 0.000 . 0 "[ .]"
2 11 DG 0.000 0.000 . 0 "[ .]"
2 12 DC 0.000 0.000 5 0 "[ .]"
2 13 DG 0.001 0.001 5 0 "[ .]"
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 N3 2 13 DG H1 1.940 . 2.040 1.964 1.948 1.979 . 0 0 "[ .]" 2
2 1 1 DC H41 2 13 DG O6 1.900 . 2.000 1.803 1.799 1.809 0.001 5 0 "[ .]" 2
3 1 1 DC O2 2 13 DG H21 1.840 . 1.940 1.866 1.838 1.899 . 0 0 "[ .]" 2
4 1 2 DG H1 2 12 DC N3 1.940 . 2.040 1.936 1.920 1.965 . 0 0 "[ .]" 2
5 1 2 DG O6 2 12 DC H41 1.900 . 2.000 1.838 1.800 1.903 0.000 5 0 "[ .]" 2
6 1 2 DG H21 2 12 DC O2 1.840 . 1.940 1.808 1.779 1.828 . 0 0 "[ .]" 2
7 1 3 DC N3 2 11 DG H1 1.940 . 2.040 1.967 1.958 1.977 . 0 0 "[ .]" 2
8 1 3 DC H41 2 11 DG O6 1.900 . 2.000 1.819 1.807 1.836 . 0 0 "[ .]" 2
9 1 3 DC O2 2 11 DG H21 1.840 . 1.940 1.889 1.865 1.901 . 0 0 "[ .]" 2
10 1 4 DA N1 2 10 DT H3 1.810 . 1.910 1.857 1.842 1.891 . 0 0 "[ .]" 2
11 1 4 DA H61 2 10 DT O4 1.840 . 1.940 1.859 1.832 1.890 . 0 0 "[ .]" 2
12 1 5 DT H3 2 9 DA N1 1.810 . 1.910 1.836 1.793 1.908 . 0 0 "[ .]" 2
13 1 5 DT O4 2 9 DA H61 1.840 . 1.940 1.888 1.803 1.939 . 0 0 "[ .]" 2
14 1 9 DT H3 2 5 DA N1 1.810 . 1.910 1.913 1.910 1.915 0.005 4 0 "[ .]" 2
15 1 9 DT O4 2 5 DA H61 1.840 . 1.940 1.866 1.776 1.942 0.002 2 0 "[ .]" 2
16 1 10 DA N1 2 4 DT H3 1.810 . 1.910 1.889 1.855 1.910 . 4 0 "[ .]" 2
17 1 10 DA H61 2 4 DT O4 1.840 . 1.940 1.834 1.756 1.936 . 0 0 "[ .]" 2
18 1 8 DG H1 2 7 DC N3 1.940 . 2.040 1.979 1.970 1.990 . 0 0 "[ .]" 2
19 1 8 DG O6 2 7 DC H41 1.900 . 2.000 1.804 1.798 1.829 0.002 3 0 "[ .]" 2
20 1 8 DG H21 2 7 DC O2 1.840 . 1.940 1.941 1.939 1.942 0.002 4 0 "[ .]" 2
21 1 11 DC N3 2 3 DG H1 1.940 . 2.040 1.935 1.918 1.945 . 0 0 "[ .]" 2
22 1 11 DC H41 2 3 DG O6 1.900 . 2.000 1.854 1.826 1.901 . 0 0 "[ .]" 2
23 1 11 DC O2 2 3 DG H21 1.840 . 1.940 1.812 1.792 1.833 . 0 0 "[ .]" 2
24 1 12 DG H1 2 2 DC N3 1.940 . 2.040 1.932 1.915 1.948 . 0 0 "[ .]" 2
25 1 12 DG O6 2 2 DC H41 1.900 . 2.000 1.800 1.797 1.803 0.003 4 0 "[ .]" 2
26 1 12 DG H21 2 2 DC O2 1.840 . 1.940 1.934 1.912 1.942 0.002 3 0 "[ .]" 2
27 1 13 DC N3 2 1 DG H1 1.940 . 2.040 1.989 1.970 2.008 . 0 0 "[ .]" 2
28 1 13 DC H41 2 1 DG O6 1.900 . 2.000 1.915 1.893 1.929 . 0 0 "[ .]" 2
29 1 13 DC O2 2 1 DG H21 1.840 . 1.940 1.823 1.796 1.842 . 0 0 "[ .]" 2
stop_
save_
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