NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
407560 |
1ycw   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ycw
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 354
_Distance_constraint_stats_list.Viol_count 182
_Distance_constraint_stats_list.Viol_total 295.449
_Distance_constraint_stats_list.Viol_max 1.400
_Distance_constraint_stats_list.Viol_rms 0.1501
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0334
_Distance_constraint_stats_list.Viol_average_violations_only 0.3247
_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 17.177 1.400 5 5 [-***+]
1 5 DT 21.215 1.400 5 5 [****+]
1 6 DG 4.905 0.494 4 0 "[ .]"
1 7 3DR 0.000 0.000 . 0 "[ .]"
1 8 DG 8.029 0.388 5 0 "[ .]"
1 9 DT 9.969 0.699 5 5 [**-*+]
1 10 DA 0.004 0.002 3 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 2.263 0.273 3 0 "[ .]"
2 4 DT 3.151 0.283 3 0 "[ .]"
2 5 DA 2.527 0.283 3 0 "[ .]"
2 6 DC 9.292 0.549 3 5 [-*+**]
2 7 DC 5.091 0.549 3 5 [-*+**]
2 9 DA 1.492 0.287 1 0 "[ .]"
2 10 DT 10.767 1.191 4 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 1 5 DT H1' 1 5 DT H6 3.750 3.150 4.350 3.755 3.750 3.760 . 0 0 "[ .]" 1
2 1 4 DA H1' 1 5 DT H6 3.710 3.110 4.310 3.507 3.386 3.570 . 0 0 "[ .]" 1
3 2 5 DA H1' 2 6 DC H6 3.270 2.670 3.730 3.385 3.288 3.485 . 0 0 "[ .]" 1
4 2 3 DG H1' 2 4 DT H6 3.650 3.050 4.250 3.288 3.245 3.338 . 0 0 "[ .]" 1
5 1 2 DG H1' 1 3 DC H6 2.780 2.180 3.380 3.119 3.080 3.197 . 0 0 "[ .]" 1
6 1 6 DG H1' 1 8 DG H8 3.780 3.780 4.380 4.531 4.531 4.532 0.152 3 0 "[ .]" 1
7 2 1 DG H1' 2 2 DC H6 3.340 2.740 3.940 3.125 2.973 3.274 . 0 0 "[ .]" 1
8 1 12 DG H1' 1 13 DC H6 3.020 2.420 3.620 3.079 3.047 3.108 . 0 0 "[ .]" 1
9 1 13 DC H1' 1 13 DC H6 3.740 3.140 4.340 3.759 3.756 3.761 . 0 0 "[ .]" 1
10 2 9 DA H1' 2 10 DT H6 3.970 3.370 4.570 4.503 4.502 4.504 . 0 0 "[ .]" 1
11 1 10 DA H1' 1 11 DC H6 4.670 4.070 5.270 4.490 4.389 4.615 . 0 0 "[ .]" 1
12 2 6 DC H1' 2 6 DC H6 3.650 3.050 4.250 3.723 3.712 3.734 . 0 0 "[ .]" 1
13 2 4 DT H1' 2 4 DT H6 3.730 3.130 4.330 3.740 3.737 3.743 . 0 0 "[ .]" 1
14 2 10 DT H1' 2 10 DT H6 3.770 3.170 4.370 3.734 3.726 3.745 . 0 0 "[ .]" 1
15 2 5 DA H2 2 6 DC H1' 4.140 3.540 4.280 4.069 3.757 4.500 0.220 4 0 "[ .]" 1
16 1 3 DC H1' 1 3 DC H6 3.750 3.150 4.350 3.753 3.749 3.760 . 0 0 "[ .]" 1
17 1 11 DC H1' 1 11 DC H6 3.730 3.130 4.330 3.765 3.763 3.768 . 0 0 "[ .]" 1
18 2 12 DC H1' 2 12 DC H6 3.750 3.150 4.350 3.753 3.750 3.759 . 0 0 "[ .]" 1
19 2 11 DG H1' 2 12 DC H6 2.780 2.180 3.380 3.201 3.136 3.280 . 0 0 "[ .]" 1
20 2 6 DC H1' 2 7 DC H6 3.500 3.350 4.100 4.173 4.171 4.174 0.074 4 0 "[ .]" 1
21 2 2 DC H1' 2 2 DC H6 3.680 3.080 4.280 3.722 3.720 3.724 . 0 0 "[ .]" 1
22 1 8 DG H1' 1 9 DT H6 . 4.160 4.740 4.878 4.877 4.879 0.139 3 0 "[ .]" 1
23 1 9 DT H1' 1 9 DT H6 3.640 3.040 4.240 3.724 3.717 3.728 . 0 0 "[ .]" 1
24 2 6 DC H5 2 6 DC H6 2.290 . 2.850 2.437 2.436 2.437 . 0 0 "[ .]" 1
25 1 11 DC H5 1 11 DC H6 2.430 . 3.030 2.440 2.439 2.441 . 0 0 "[ .]" 1
26 2 12 DC H5 2 12 DC H6 2.670 2.070 3.270 2.439 2.439 2.440 . 0 0 "[ .]" 1
27 1 3 DC H5 1 3 DC H6 2.820 2.220 3.420 2.440 2.439 2.441 . 0 0 "[ .]" 1
28 2 7 DC H5 2 7 DC H6 2.080 . 2.680 2.426 2.418 2.430 . 0 0 "[ .]" 1
29 2 2 DC H5 2 2 DC H6 2.130 . 2.730 2.433 2.432 2.435 . 0 0 "[ .]" 1
30 2 6 DC H6 2 7 DC H5 3.180 2.990 3.780 3.830 3.829 3.830 0.050 5 0 "[ .]" 1
31 1 13 DC H5 1 13 DC H6 2.450 . 3.050 2.441 2.440 2.442 . 0 0 "[ .]" 1
32 1 1 DC H5 1 1 DC H6 2.430 . 3.030 2.443 2.440 2.454 . 0 0 "[ .]" 1
33 1 1 DC H1' 1 1 DC H6 3.730 3.130 4.330 3.749 3.734 3.755 . 0 0 "[ .]" 1
34 1 6 DG H1' 1 6 DG H8 3.780 3.180 4.380 3.706 3.685 3.748 . 0 0 "[ .]" 1
35 1 12 DG H1' 1 12 DG H8 3.870 3.270 4.470 3.923 3.921 3.928 . 0 0 "[ .]" 1
36 2 11 DG H1' 2 11 DG H8 4.160 3.560 4.760 3.928 3.920 3.938 . 0 0 "[ .]" 1
37 2 10 DT H1' 2 11 DG H8 3.610 3.010 4.210 3.245 3.152 3.347 . 0 0 "[ .]" 1
38 2 2 DC H1' 2 3 DG H8 3.250 2.650 3.850 3.347 3.258 3.443 . 0 0 "[ .]" 1
39 2 12 DC H1' 2 13 DG H8 3.200 2.600 3.800 3.012 2.870 3.189 . 0 0 "[ .]" 1
40 1 1 DC H1' 1 2 DG H8 4.300 3.700 4.900 3.895 3.819 3.974 . 0 0 "[ .]" 1
41 1 2 DG H1' 1 2 DG H8 4.320 3.720 4.920 4.093 4.078 4.109 . 0 0 "[ .]" 1
42 2 1 DG H1' 2 1 DG H8 3.900 3.300 4.500 3.921 3.916 3.925 . 0 0 "[ .]" 1
43 2 3 DG H1' 2 3 DG H8 3.890 3.290 4.490 3.921 3.918 3.926 . 0 0 "[ .]" 1
44 2 13 DG H1' 2 13 DG H8 3.840 3.240 4.440 3.908 3.903 3.913 . 0 0 "[ .]" 1
45 1 5 DT H1' 1 6 DG H8 4.690 4.090 5.200 4.838 4.757 4.894 . 0 0 "[ .]" 1
46 1 11 DC H1' 1 12 DG H8 3.510 2.910 4.110 3.413 3.329 3.509 . 0 0 "[ .]" 1
47 1 3 DC H1' 1 4 DA H8 3.090 2.490 3.690 3.391 3.302 3.501 . 0 0 "[ .]" 1
48 2 4 DT H1' 2 5 DA H8 3.690 3.190 4.290 3.451 3.386 3.505 . 0 0 "[ .]" 1
49 1 9 DT H1' 1 10 DA H8 4.070 3.470 4.670 4.012 3.994 4.037 . 0 0 "[ .]" 1
50 1 4 DA H1' 1 4 DA H8 3.850 3.250 4.450 3.919 3.916 3.923 . 0 0 "[ .]" 1
51 2 5 DA H1' 2 5 DA H8 3.940 3.340 4.270 3.900 3.898 3.901 . 0 0 "[ .]" 1
52 2 9 DA H1' 2 9 DA H8 3.700 3.100 4.300 3.921 3.911 3.935 . 0 0 "[ .]" 1
53 1 10 DA H1' 1 10 DA H8 3.200 2.600 3.800 3.732 3.730 3.733 . 0 0 "[ .]" 1
54 1 8 DG H1' 1 8 DG H8 3.880 3.280 4.160 3.902 3.887 3.907 . 0 0 "[ .]" 1
55 1 5 DT H1' 2 9 DA H2 4.380 3.780 4.980 4.813 4.810 4.815 . 0 0 "[ .]" 1
56 1 12 DG H8 1 13 DC H5 4.050 3.450 4.650 4.208 3.962 4.353 . 0 0 "[ .]" 1
57 2 1 DG H8 2 2 DC H5 4.190 3.590 4.790 4.035 3.936 4.120 . 0 0 "[ .]" 1
58 1 10 DA H8 1 11 DC H5 3.610 3.010 4.210 3.491 3.387 3.586 . 0 0 "[ .]" 1
59 2 5 DA H8 2 6 DC H5 3.840 3.340 4.440 3.812 3.745 3.886 . 0 0 "[ .]" 1
60 2 7 DC H1' 2 7 DC H6 3.660 3.060 4.260 3.577 3.564 3.593 . 0 0 "[ .]" 1
61 2 9 DA Q2' 2 10 DT H6 . 2.830 3.120 2.592 2.543 2.661 0.287 1 0 "[ .]" 1
62 2 5 DA H2'' 2 5 DA H8 3.540 2.940 3.580 3.540 3.476 3.586 0.006 2 0 "[ .]" 1
63 2 5 DA H2'' 2 6 DC H6 2.360 . 2.870 2.102 2.044 2.143 . 0 0 "[ .]" 1
64 1 10 DA H2'' 1 10 DA H8 3.230 2.630 3.830 3.237 3.225 3.248 . 0 0 "[ .]" 1
65 1 10 DA H2'' 1 11 DC H6 2.600 . 3.200 2.614 2.495 2.710 . 0 0 "[ .]" 1
66 1 6 DG H2'' 1 6 DG H8 2.990 2.390 3.280 2.975 2.943 3.024 . 0 0 "[ .]" 1
67 1 6 DG H2'' 1 8 DG H8 3.260 2.670 3.860 4.049 4.048 4.049 0.189 3 0 "[ .]" 1
68 2 3 DG H2'' 2 3 DG H8 3.870 3.270 4.470 3.809 3.752 3.851 . 0 0 "[ .]" 1
69 2 3 DG H2'' 2 4 DT H6 2.440 . 3.040 2.656 2.626 2.676 . 0 0 "[ .]" 1
70 2 1 DG H2'' 2 2 DC H6 2.140 . 2.740 2.339 2.230 2.479 . 0 0 "[ .]" 1
71 1 2 DG H2'' 1 3 DC H6 2.330 . 2.930 2.756 2.623 2.831 . 0 0 "[ .]" 1
72 1 13 DC H2'' 1 13 DC H6 3.490 2.890 4.090 3.497 3.452 3.558 . 0 0 "[ .]" 1
73 1 12 DG H2'' 1 12 DG H8 3.840 3.240 4.440 3.767 3.651 3.818 . 0 0 "[ .]" 1
74 1 2 DG H2' 1 2 DG H8 3.390 2.790 3.990 2.884 2.882 2.885 . 0 0 "[ .]" 1
75 2 11 DG H2'' 2 12 DC H6 2.030 . 2.630 2.406 2.324 2.493 . 0 0 "[ .]" 1
76 2 5 DA H2' 2 5 DA H8 2.200 . 2.800 2.178 2.150 2.209 . 0 0 "[ .]" 1
77 2 11 DG H2'' 2 11 DG H8 4.010 3.410 4.610 3.696 3.646 3.754 . 0 0 "[ .]" 1
78 2 5 DA H2' 2 6 DC H6 3.920 3.320 4.100 3.808 3.734 3.860 . 0 0 "[ .]" 1
79 1 10 DA H2' 1 11 DC H6 4.230 3.630 4.830 4.230 4.148 4.310 . 0 0 "[ .]" 1
80 1 10 DA H2' 1 10 DA H8 2.220 . 2.820 2.265 2.249 2.286 . 0 0 "[ .]" 1
81 1 9 DT H6 1 10 DA H2' 3.970 3.370 4.570 4.500 4.499 4.501 . 0 0 "[ .]" 1
82 2 3 DG H2' 2 3 DG H8 2.440 . 3.040 2.459 2.414 2.501 . 0 0 "[ .]" 1
83 2 3 DG H2' 2 4 DT H6 4.000 3.400 4.600 4.213 4.183 4.252 . 0 0 "[ .]" 1
84 1 6 DG H2' 1 8 DG H8 4.240 3.770 4.840 4.755 4.753 4.757 . 0 0 "[ .]" 1
85 1 6 DG H2' 1 6 DG H8 1.890 . 2.490 2.126 2.111 2.178 . 0 0 "[ .]" 1
86 2 13 DG H2'' 2 13 DG H8 3.620 3.020 4.220 3.710 3.649 3.782 . 0 0 "[ .]" 1
87 2 1 DG H2' 2 1 DG H8 2.520 . 3.120 2.421 2.311 2.483 . 0 0 "[ .]" 1
88 2 11 DG H2' 2 12 DC H6 3.720 3.120 4.320 4.014 3.934 4.100 . 0 0 "[ .]" 1
89 1 12 DG H2' 1 12 DG H8 2.420 . 3.020 2.513 2.441 2.561 . 0 0 "[ .]" 1
90 2 1 DG H2' 2 2 DC H6 3.710 3.110 4.310 3.930 3.835 4.034 . 0 0 "[ .]" 1
91 1 9 DT Q2' 1 10 DA H8 3.000 2.400 3.440 2.402 2.398 2.407 0.002 3 0 "[ .]" 1
92 1 13 DC H2' 1 13 DC H6 2.090 . 2.690 2.110 2.077 2.153 . 0 0 "[ .]" 1
93 1 8 DG H2'' 1 8 DG H8 4.100 3.500 4.310 3.660 3.598 3.726 . 0 0 "[ .]" 1
94 2 4 DT H2'' 2 5 DA H8 2.180 . 2.780 2.393 2.281 2.475 . 0 0 "[ .]" 1
95 2 4 DT H2'' 2 4 DT H6 3.580 2.980 4.180 3.631 3.583 3.666 . 0 0 "[ .]" 1
96 2 2 DC H2'' 2 3 DG H8 2.290 . 2.890 2.425 2.272 2.667 . 0 0 "[ .]" 1
97 2 2 DC H2'' 2 2 DC H6 3.270 2.670 3.870 3.490 3.460 3.506 . 0 0 "[ .]" 1
98 1 1 DC H2'' 1 2 DG H8 3.250 2.650 3.850 2.759 2.751 2.777 . 0 0 "[ .]" 1
99 1 1 DC H2'' 1 1 DC H6 3.740 3.140 4.340 3.584 3.506 3.663 . 0 0 "[ .]" 1
100 1 3 DC H2'' 1 4 DA H8 1.920 . 2.520 2.311 2.204 2.408 . 0 0 "[ .]" 1
101 2 7 DC Q2' 2 7 DC H6 . . 2.400 1.895 1.883 1.900 . 0 0 "[ .]" 1
102 1 3 DC H2'' 1 3 DC H6 3.560 2.960 4.160 3.618 3.511 3.684 . 0 0 "[ .]" 1
103 2 13 DG H2' 2 13 DG H8 2.260 . 2.860 2.436 2.379 2.474 . 0 0 "[ .]" 1
104 2 12 DC H2'' 2 12 DC H6 3.540 2.940 4.140 3.563 3.487 3.619 . 0 0 "[ .]" 1
105 1 11 DC H2'' 1 12 DG H8 2.090 . 2.690 2.518 2.353 2.572 . 0 0 "[ .]" 1
106 1 11 DC H2'' 1 11 DC H6 3.780 3.180 4.380 3.475 3.400 3.549 . 0 0 "[ .]" 1
107 2 6 DC Q2' 2 7 DC H6 2.930 2.330 3.530 2.724 2.698 2.745 . 0 0 "[ .]" 1
108 1 12 DG H2' 1 13 DC H6 3.840 3.240 4.440 4.249 4.203 4.304 . 0 0 "[ .]" 1
109 2 2 DC H2' 2 3 DG H8 3.730 3.130 4.330 3.848 3.666 4.105 . 0 0 "[ .]" 1
110 2 2 DC H2' 2 2 DC H6 1.790 . 2.390 1.980 1.954 1.997 . 0 0 "[ .]" 1
111 2 4 DT H2' 2 5 DA H8 3.600 3.000 3.600 3.774 3.657 3.883 0.283 3 0 "[ .]" 1
112 2 4 DT H2' 2 4 DT H6 2.070 . 2.670 2.195 2.153 2.225 . 0 0 "[ .]" 1
113 1 3 DC H2' 1 4 DA H8 3.350 2.750 3.950 3.745 3.624 3.826 . 0 0 "[ .]" 1
114 1 3 DC H2' 1 3 DC H6 2.060 . 2.660 2.201 2.124 2.253 . 0 0 "[ .]" 1
115 1 1 DC H2' 1 2 DG H8 4.180 3.580 4.780 3.714 3.680 3.774 . 0 0 "[ .]" 1
116 1 1 DC H2' 1 1 DC H6 2.220 . 2.820 2.139 2.057 2.231 . 0 0 "[ .]" 1
117 1 5 DT H2'' 1 6 DG H8 2.720 2.120 3.320 2.896 2.896 2.897 . 0 0 "[ .]" 1
118 1 5 DT H2'' 1 5 DT H6 3.620 3.020 4.220 3.429 3.358 3.524 . 0 0 "[ .]" 1
119 1 11 DC H2' 1 11 DC H6 2.290 . 2.890 2.070 2.044 2.117 . 0 0 "[ .]" 1
120 1 11 DC H2' 1 12 DG H8 3.560 2.960 4.160 3.857 3.735 3.965 . 0 0 "[ .]" 1
121 2 12 DC H2' 2 13 DG H8 3.630 3.030 4.230 3.915 3.815 3.975 . 0 0 "[ .]" 1
122 2 12 DC H2' 2 12 DC H6 1.960 . 2.560 2.118 2.062 2.165 . 0 0 "[ .]" 1
123 1 5 DT H2' 1 6 DG H8 . 3.650 4.240 4.424 4.366 4.501 0.261 2 0 "[ .]" 1
124 1 5 DT H2' 1 5 DT H6 2.130 . 2.730 2.074 2.028 2.149 . 0 0 "[ .]" 1
125 1 4 DA H3' 1 4 DA H8 4.310 3.710 4.910 4.513 4.447 4.555 . 0 0 "[ .]" 1
126 2 9 DA H3' 2 9 DA H8 4.250 3.650 4.850 4.499 4.345 4.625 . 0 0 "[ .]" 1
127 1 10 DA H3' 1 10 DA H8 4.670 4.070 5.270 4.767 4.741 4.798 . 0 0 "[ .]" 1
128 2 5 DA H3' 2 5 DA H8 4.460 3.860 5.060 4.408 4.398 4.425 . 0 0 "[ .]" 1
129 2 3 DG H3' 2 3 DG H8 4.450 3.850 5.050 4.639 4.607 4.667 . 0 0 "[ .]" 1
130 1 6 DG H3' 1 6 DG H8 . 3.480 4.060 4.517 4.497 4.554 0.494 4 0 "[ .]" 1
131 2 2 DC H3' 2 2 DC H6 3.870 3.270 4.470 4.049 4.028 4.078 . 0 0 "[ .]" 1
132 1 9 DT H3' 1 9 DT H6 3.840 3.240 4.440 4.067 4.049 4.081 . 0 0 "[ .]" 1
133 1 11 DC H3' 1 11 DC H6 4.180 3.580 4.780 4.193 4.145 4.225 . 0 0 "[ .]" 1
134 2 10 DT H3' 2 10 DT H6 4.030 3.430 4.630 4.364 4.338 4.400 . 0 0 "[ .]" 1
135 2 4 DT H3' 2 4 DT H6 4.030 3.430 4.630 4.253 4.236 4.268 . 0 0 "[ .]" 1
136 2 9 DA H3' 2 10 DT H6 5.090 4.490 5.690 5.080 5.016 5.198 . 0 0 "[ .]" 1
137 1 13 DC H3' 1 13 DC H6 4.320 3.720 4.920 4.360 4.347 4.383 . 0 0 "[ .]" 1
138 1 8 DG H4' 1 9 DT H6 . 4.830 5.400 5.492 5.482 5.501 0.101 4 0 "[ .]" 1
139 1 4 DA H4' 1 4 DA H8 4.690 4.090 5.290 4.869 4.832 4.899 . 0 0 "[ .]" 1
140 2 5 DA H4' 2 5 DA H8 4.900 4.800 5.500 4.845 4.810 4.902 . 0 0 "[ .]" 1
141 1 6 DG H4' 1 6 DG H8 5.040 4.440 5.640 5.356 5.327 5.392 . 0 0 "[ .]" 1
142 1 12 DG H4' 1 12 DG H8 4.950 4.350 5.550 5.029 4.979 5.103 . 0 0 "[ .]" 1
143 1 11 DC H3' 1 12 DG H8 4.760 4.160 5.360 5.222 5.063 5.264 . 0 0 "[ .]" 1
144 2 2 DC H3' 2 3 DG H8 5.040 4.440 5.640 5.116 4.968 5.350 . 0 0 "[ .]" 1
145 1 3 DC H4' 1 3 DC H6 4.530 3.930 5.130 4.616 4.566 4.698 . 0 0 "[ .]" 1
146 1 13 DC H4' 1 13 DC H6 4.540 3.940 5.140 4.570 4.523 4.620 . 0 0 "[ .]" 1
147 1 9 DT H4' 1 9 DT H6 4.440 3.840 5.040 4.811 4.789 4.822 . 0 0 "[ .]" 1
148 1 1 DC H3' 1 1 DC H6 4.110 3.510 4.710 4.274 4.212 4.342 . 0 0 "[ .]" 1
149 1 8 DG H3' 1 9 DT H6 4.640 4.250 5.240 5.198 5.197 5.200 . 0 0 "[ .]" 1
150 2 13 DG H3' 2 13 DG H8 4.550 3.950 5.150 4.767 4.726 4.838 . 0 0 "[ .]" 1
151 2 12 DC H3' 2 13 DG H8 4.720 4.120 5.320 4.851 4.664 5.067 . 0 0 "[ .]" 1
152 1 9 DT H3' 1 10 DA H8 5.010 4.410 5.610 4.919 4.893 4.941 . 0 0 "[ .]" 1
153 2 4 DT H3' 2 5 DA H8 4.850 4.250 5.450 5.088 4.977 5.163 . 0 0 "[ .]" 1
154 1 3 DC H3' 1 4 DA H8 4.610 4.010 5.210 5.004 4.902 5.111 . 0 0 "[ .]" 1
155 2 3 DG H4' 2 3 DG H8 4.770 4.170 5.370 4.906 4.884 4.941 . 0 0 "[ .]" 1
156 2 3 DG H3' 2 4 DT H6 5.090 4.490 5.690 5.257 5.237 5.288 . 0 0 "[ .]" 1
157 1 4 DA H3' 1 5 DT H6 4.810 4.210 5.410 4.912 4.890 4.956 . 0 0 "[ .]" 1
158 1 2 DG H3' 1 3 DC H6 4.930 4.330 5.530 5.309 5.241 5.378 . 0 0 "[ .]" 1
159 2 5 DA H3' 2 6 DC H6 4.940 4.340 5.540 4.520 4.499 4.535 . 0 0 "[ .]" 1
160 2 7 DC H3' 2 7 DC H6 3.970 3.370 4.500 4.348 4.313 4.374 . 0 0 "[ .]" 1
161 1 8 DG H3' 1 8 DG H8 4.390 3.790 4.990 4.029 3.925 4.096 . 0 0 "[ .]" 1
162 2 9 DA H4' 2 9 DA H8 4.410 3.810 5.010 4.777 4.715 4.819 . 0 0 "[ .]" 1
163 1 2 DG H4' 1 2 DG H8 6.050 5.450 6.650 5.538 5.535 5.540 . 0 0 "[ .]" 1
164 1 1 DC H3' 1 2 DG H8 5.940 5.340 6.540 5.437 5.436 5.438 . 0 0 "[ .]" 1
165 1 5 DT H3' 1 6 DG H8 . 4.810 5.400 4.968 4.913 5.032 . 0 0 "[ .]" 1
166 1 5 DT H3' 1 5 DT H6 4.080 3.480 4.680 4.269 4.217 4.320 . 0 0 "[ .]" 1
167 2 6 DC H3' 2 6 DC H6 4.130 3.530 4.460 4.059 4.036 4.080 . 0 0 "[ .]" 1
168 1 8 DG H4' 1 8 DG H8 4.700 4.340 5.300 5.110 5.083 5.126 . 0 0 "[ .]" 1
169 1 5 DT H1' 1 5 DT H2' 3.080 2.480 3.680 3.026 3.020 3.030 . 0 0 "[ .]" 1
170 1 11 DC H1' 1 11 DC H2' 3.020 2.420 3.620 3.023 3.021 3.028 . 0 0 "[ .]" 1
171 1 3 DC H1' 1 3 DC H2' 3.030 2.430 3.630 3.024 3.021 3.026 . 0 0 "[ .]" 1
172 1 11 DC H1' 1 11 DC H2'' 2.510 . 3.110 2.474 2.471 2.479 . 0 0 "[ .]" 1
173 1 3 DC H1' 1 3 DC H2'' 2.550 . 3.150 2.489 2.484 2.496 . 0 0 "[ .]" 1
174 1 12 DG H1' 1 12 DG H2' 2.990 2.390 3.590 3.013 3.010 3.016 . 0 0 "[ .]" 1
175 2 13 DG H1' 2 13 DG H2' 3.050 2.450 3.650 3.034 3.031 3.037 . 0 0 "[ .]" 1
176 1 10 DA H1' 1 10 DA H2'' 3.170 2.570 3.770 2.834 2.818 2.844 . 0 0 "[ .]" 1
177 1 6 DG H1' 1 6 DG H2' 3.060 2.460 3.200 3.020 3.017 3.022 . 0 0 "[ .]" 1
178 1 2 DG H1' 1 2 DG H2' 2.930 2.330 3.530 3.014 3.008 3.020 . 0 0 "[ .]" 1
179 1 2 DG H1' 1 2 DG H2'' 2.370 . 2.970 2.453 2.449 2.456 . 0 0 "[ .]" 1
180 1 12 DG H1' 1 12 DG H2'' 2.440 . 3.040 2.473 2.470 2.476 . 0 0 "[ .]" 1
181 1 6 DG H1' 1 6 DG H2'' 2.460 . 2.780 2.383 2.382 2.384 . 0 0 "[ .]" 1
182 2 10 DT H1' 2 11 DG H2'' 5.940 5.340 6.540 5.957 5.870 6.046 . 0 0 "[ .]" 1
183 2 11 DG H1' 2 11 DG H2'' 2.320 . 2.920 2.480 2.476 2.483 . 0 0 "[ .]" 1
184 1 9 DT H1' 1 9 DT Q2' 2.500 2.460 3.100 2.607 2.598 2.616 . 0 0 "[ .]" 1
185 2 6 DC H1' 2 6 DC Q2' . 2.320 2.910 2.320 2.315 2.334 0.005 4 0 "[ .]" 1
186 2 10 DT H1' 2 10 DT Q2' 2.830 2.230 3.430 2.370 2.365 2.374 . 0 0 "[ .]" 1
187 2 2 DC H1' 2 2 DC H2' 3.040 2.440 3.640 3.023 3.018 3.028 . 0 0 "[ .]" 1
188 2 7 DC H1' 2 7 DC Q2' 2.570 . 2.820 2.385 2.383 2.386 . 0 0 "[ .]" 1
189 2 2 DC H1' 2 2 DC H2'' 2.500 . 3.100 2.472 2.470 2.475 . 0 0 "[ .]" 1
190 2 13 DG H1' 2 13 DG H2'' 2.460 . 3.060 2.445 2.441 2.452 . 0 0 "[ .]" 1
191 1 10 DA H1' 1 10 DA H2' 2.410 . 3.010 2.922 2.921 2.922 . 0 0 "[ .]" 1
192 1 4 DA H1' 1 4 DA Q2' 3.010 2.410 3.080 2.364 2.361 2.366 0.049 1 0 "[ .]" 1
193 2 9 DA H1' 2 9 DA Q2' 3.040 2.440 3.640 2.382 2.377 2.388 0.063 5 0 "[ .]" 1
194 2 5 DA H2'' 2 6 DC H5 3.000 2.660 3.600 2.520 2.497 2.543 0.163 4 0 "[ .]" 1
195 1 10 DA H2'' 1 11 DC H5 3.360 2.760 3.960 3.474 3.233 3.711 . 0 0 "[ .]" 1
196 1 10 DA H2' 1 11 DC H5 4.290 3.690 4.890 4.204 3.974 4.362 . 0 0 "[ .]" 1
197 2 5 DA H2' 2 6 DC H5 3.690 3.330 4.290 3.210 3.189 3.260 0.141 4 0 "[ .]" 1
198 1 11 DC H2' 1 11 DC H5 4.350 3.750 4.950 4.339 4.308 4.355 . 0 0 "[ .]" 1
199 1 2 DG H2'' 1 3 DC H5 3.140 2.540 3.740 3.538 3.416 3.631 . 0 0 "[ .]" 1
200 2 11 DG H2'' 2 12 DC H5 2.610 2.010 3.210 3.050 2.966 3.111 . 0 0 "[ .]" 1
201 1 12 DG H2' 1 13 DC H5 3.120 2.520 3.720 3.519 3.417 3.601 . 0 0 "[ .]" 1
202 1 3 DC H2' 1 3 DC H5 4.670 4.070 5.270 4.400 4.373 4.427 . 0 0 "[ .]" 1
203 2 12 DC H2' 2 12 DC H5 4.310 3.710 4.910 4.322 4.312 4.341 . 0 0 "[ .]" 1
204 2 6 DC Q2' 2 7 DC H5 . 3.300 3.890 4.004 3.990 4.013 0.123 4 0 "[ .]" 1
205 2 2 DC H2' 2 2 DC H5 3.640 3.040 4.240 4.151 4.149 4.152 . 0 0 "[ .]" 1
206 2 7 DC Q2' 2 7 DC H5 . 3.700 4.290 4.032 4.026 4.037 . 0 0 "[ .]" 1
207 2 2 DC H2'' 2 2 DC H5 4.820 4.220 5.420 5.316 5.305 5.321 . 0 0 "[ .]" 1
208 2 12 DC H1' 2 12 DC H2' 3.020 2.420 3.620 3.027 3.025 3.029 . 0 0 "[ .]" 1
209 1 1 DC H1' 1 1 DC H2' 3.090 2.490 3.690 3.037 3.035 3.041 . 0 0 "[ .]" 1
210 1 1 DC H2' 1 1 DC H5 4.280 3.680 4.880 4.362 4.325 4.412 . 0 0 "[ .]" 1
211 2 6 DC H5 2 7 DC Q2' . 5.080 5.630 5.831 5.828 5.833 0.203 3 0 "[ .]" 1
212 1 5 DT H2' 1 5 DT H3' 2.390 . 2.990 2.356 2.335 2.377 . 0 0 "[ .]" 1
213 2 6 DC Q2' 2 6 DC H3' 2.430 2.090 2.860 2.274 2.257 2.281 . 0 0 "[ .]" 1
214 1 1 DC H2' 1 1 DC H3' 2.450 . 3.050 2.438 2.426 2.446 . 0 0 "[ .]" 1
215 2 13 DG H2' 2 13 DG H3' 2.470 . 3.070 2.486 2.479 2.496 . 0 0 "[ .]" 1
216 1 1 DC H2'' 1 1 DC H3' 2.760 2.160 3.360 2.728 2.720 2.734 . 0 0 "[ .]" 1
217 2 11 DG H2'' 2 12 DC H3' 5.320 4.720 5.920 5.512 5.467 5.563 . 0 0 "[ .]" 1
218 2 13 DG H2'' 2 13 DG H3' 2.710 2.110 3.310 2.709 2.707 2.712 . 0 0 "[ .]" 1
219 1 11 DC H2' 1 11 DC H3' 2.300 . 2.900 2.327 2.319 2.333 . 0 0 "[ .]" 1
220 1 3 DC H2' 1 3 DC H3' 2.340 . 2.940 2.353 2.347 2.361 . 0 0 "[ .]" 1
221 2 10 DT Q2' 2 10 DT H3' 2.290 2.140 2.890 2.216 2.212 2.224 . 0 0 "[ .]" 1
222 2 7 DC Q2' 2 7 DC H3' 2.730 2.130 3.330 2.275 2.260 2.294 . 0 0 "[ .]" 1
223 1 11 DC H2'' 1 11 DC H3' 2.710 2.110 3.310 2.710 2.703 2.715 . 0 0 "[ .]" 1
224 1 3 DC H2'' 1 3 DC H3' 2.700 2.100 3.300 2.713 2.710 2.716 . 0 0 "[ .]" 1
225 1 12 DG H2' 1 12 DG H3' 2.360 . 2.960 2.407 2.404 2.412 . 0 0 "[ .]" 1
226 2 1 DG H2'' 2 1 DG H3' 2.730 2.130 3.330 2.706 2.702 2.709 . 0 0 "[ .]" 1
227 2 9 DA Q2' 2 9 DA H3' 2.710 2.110 3.310 2.256 2.245 2.263 . 0 0 "[ .]" 1
228 2 12 DC H1' 2 12 DC H2'' 2.520 . 3.120 2.475 2.471 2.479 . 0 0 "[ .]" 1
229 1 8 DG H1' 1 8 DG H2'' 2.550 . 2.960 2.532 2.507 2.547 . 0 0 "[ .]" 1
230 1 9 DT Q2' 1 9 DT H3' 2.740 2.140 2.860 2.106 2.096 2.113 0.044 5 0 "[ .]" 1
231 2 2 DC H2'' 2 2 DC H3' 2.780 2.180 3.380 2.712 2.707 2.717 . 0 0 "[ .]" 1
232 1 3 DC H2'' 1 3 DC H5 5.760 5.160 6.360 5.442 5.360 5.486 . 0 0 "[ .]" 1
233 2 12 DC H2'' 2 12 DC H5 5.520 4.920 6.120 5.402 5.356 5.441 . 0 0 "[ .]" 1
234 1 13 DC H1' 1 13 DC H4' 3.440 2.840 4.040 3.458 3.414 3.477 . 0 0 "[ .]" 1
235 1 12 DG H1' 1 12 DG H4' 3.420 2.820 4.020 2.930 2.919 2.951 . 0 0 "[ .]" 1
236 1 2 DG H1' 1 2 DG H4' 3.440 2.840 4.040 3.022 2.984 3.059 . 0 0 "[ .]" 1
237 1 2 DG H1' 1 3 DC H4' 4.390 3.790 4.990 4.515 4.442 4.619 . 0 0 "[ .]" 1
238 1 9 DT H1' 1 9 DT H4' 3.060 2.460 3.660 2.548 2.546 2.549 . 0 0 "[ .]" 1
239 2 11 DG H1' 2 11 DG H4' 3.080 2.480 3.680 2.962 2.937 2.977 . 0 0 "[ .]" 1
240 2 11 DG H1' 2 11 DG H3' 3.740 3.140 4.340 3.700 3.688 3.712 . 0 0 "[ .]" 1
241 2 2 DC H1' 2 2 DC H3' 3.800 3.200 4.400 3.765 3.758 3.770 . 0 0 "[ .]" 1
242 1 2 DG H1' 1 2 DG H3' 3.930 3.330 4.530 3.676 3.656 3.685 . 0 0 "[ .]" 1
243 2 11 DG H1' 2 12 DC H5 3.920 3.320 4.520 4.279 4.212 4.349 . 0 0 "[ .]" 1
244 1 2 DG H1' 1 3 DC H5 3.890 3.290 4.490 4.375 4.311 4.392 . 0 0 "[ .]" 1
245 2 1 DG H1' 2 2 DC H5 4.210 3.610 4.810 4.254 4.161 4.355 . 0 0 "[ .]" 1
246 2 1 DG H1' 2 1 DG H3' 3.920 3.320 4.520 3.732 3.722 3.741 . 0 0 "[ .]" 1
247 1 12 DG H1' 1 13 DC H5 3.850 3.250 4.450 3.817 3.797 3.851 . 0 0 "[ .]" 1
248 1 12 DG H1' 1 13 DC H4' 4.570 3.970 5.170 4.848 4.791 4.918 . 0 0 "[ .]" 1
249 1 9 DT H4' 1 10 DA H1' 5.210 4.610 5.810 5.760 5.760 5.761 . 0 0 "[ .]" 1
250 1 13 DC H1' 1 13 DC H3' 3.720 3.120 4.320 3.718 3.699 3.728 . 0 0 "[ .]" 1
251 1 10 DA H1' 1 11 DC H5 5.250 4.650 5.850 5.321 5.170 5.462 . 0 0 "[ .]" 1
252 1 12 DG H1' 1 13 DC H1' 5.240 4.640 5.840 5.545 5.518 5.581 . 0 0 "[ .]" 1
253 1 10 DA H1' 1 10 DA H4' 3.190 2.590 3.790 2.675 2.673 2.676 . 0 0 "[ .]" 1
254 2 1 DG H1' 2 1 DG H4' 3.490 2.890 4.090 3.345 3.321 3.362 . 0 0 "[ .]" 1
255 1 3 DC H1' 1 3 DC H4' 3.040 2.440 3.640 2.998 2.968 3.022 . 0 0 "[ .]" 1
256 1 3 DC H1' 1 3 DC H3' 3.830 3.230 4.430 3.721 3.710 3.728 . 0 0 "[ .]" 1
257 1 5 DT H1' 1 5 DT H3' 3.880 3.280 4.480 3.715 3.681 3.750 . 0 0 "[ .]" 1
258 1 11 DC H1' 1 11 DC H3' 3.780 3.180 4.380 3.731 3.712 3.742 . 0 0 "[ .]" 1
259 1 1 DC H1' 1 1 DC H3' 4.000 3.400 4.600 3.765 3.736 3.787 . 0 0 "[ .]" 1
260 1 1 DC H1' 1 1 DC H5 5.440 4.840 6.040 5.482 5.479 5.484 . 0 0 "[ .]" 1
261 2 13 DG H1' 2 13 DG H3' 3.750 3.150 4.350 3.686 3.648 3.714 . 0 0 "[ .]" 1
262 2 5 DA H1' 2 6 DC H4' 4.050 3.450 4.570 4.089 3.927 4.289 . 0 0 "[ .]" 1
263 2 5 DA H1' 2 6 DC H5 . 4.400 4.990 4.375 4.344 4.402 0.056 4 0 "[ .]" 1
264 1 5 DT H2' 1 5 DT H2'' 1.790 . 2.390 1.810 1.809 1.811 . 0 0 "[ .]" 1
265 2 7 DC H2' 2 7 DC H2'' 1.820 . 2.420 1.811 1.809 1.813 . 0 0 "[ .]" 1
266 2 4 DT H2' 2 4 DT H2'' 1.800 . 2.400 1.806 1.804 1.808 . 0 0 "[ .]" 1
267 1 9 DT H2' 1 9 DT H2'' 1.790 . 2.390 1.816 1.814 1.818 . 0 0 "[ .]" 1
268 2 2 DC H2' 2 2 DC H2'' 1.750 . 2.350 1.803 1.802 1.804 . 0 0 "[ .]" 1
269 2 13 DG H2' 2 13 DG H2'' 1.800 . 2.400 1.804 1.803 1.805 . 0 0 "[ .]" 1
270 1 4 DA H2 2 10 DT H1' 4.900 4.300 5.500 4.985 4.863 5.099 . 0 0 "[ .]" 1
271 2 9 DA H1' 2 9 DA H2 4.690 4.090 5.290 4.590 4.550 4.606 . 0 0 "[ .]" 1
272 2 4 DT H4' 2 4 DT H6 4.480 3.880 5.080 4.515 4.489 4.559 . 0 0 "[ .]" 1
273 2 3 DG H4' 2 4 DT H6 6.000 5.400 6.600 5.931 5.888 5.971 . 0 0 "[ .]" 1
274 1 5 DT H4' 1 5 DT H6 4.580 3.980 5.180 4.744 4.664 4.798 . 0 0 "[ .]" 1
275 1 4 DA H1' 1 4 DA H2 4.670 4.070 5.270 4.526 4.499 4.549 . 0 0 "[ .]" 1
276 1 13 DC H3' 1 13 DC H4' 2.670 2.070 3.270 2.672 2.668 2.679 . 0 0 "[ .]" 1
277 2 6 DC H3' 2 6 DC H4' 2.830 2.230 3.430 2.756 2.752 2.765 . 0 0 "[ .]" 1
278 2 9 DA H3' 2 9 DA H4' 2.680 2.080 3.280 2.690 2.663 2.699 . 0 0 "[ .]" 1
279 2 7 DC Q2' 2 7 DC H4' . 2.830 3.390 3.425 3.419 3.436 0.046 2 0 "[ .]" 1
280 2 2 DC H3' 2 2 DC H4' 2.840 2.240 3.440 2.764 2.760 2.769 . 0 0 "[ .]" 1
281 2 12 DC H3' 2 12 DC H4' 2.790 2.190 3.390 2.758 2.753 2.763 . 0 0 "[ .]" 1
282 2 13 DG H3' 2 13 DG H4' 2.690 2.090 3.290 2.698 2.690 2.713 . 0 0 "[ .]" 1
283 1 1 DC H2'' 1 1 DC H5 5.580 4.980 6.180 5.478 5.445 5.514 . 0 0 "[ .]" 1
284 1 5 DT H3' 1 5 DT H4' 2.800 2.200 3.400 2.772 2.765 2.776 . 0 0 "[ .]" 1
285 1 5 DT H1' 1 5 DT H4' 3.030 2.430 3.630 3.021 2.988 3.061 . 0 0 "[ .]" 1
286 2 6 DC H1' 2 6 DC H3' 3.960 3.370 4.560 3.798 3.794 3.804 . 0 0 "[ .]" 1
287 2 6 DC H1' 2 6 DC H4' . 3.740 4.300 3.196 3.195 3.197 0.545 4 5 [-**+*] 1
288 2 6 DC H1' 2 7 DC H5 . 3.940 4.510 5.054 5.051 5.059 0.549 3 5 [-*+**] 1
289 2 9 DA H1' 2 9 DA H3' 3.830 3.230 4.430 3.773 3.747 3.829 . 0 0 "[ .]" 1
290 1 10 DA H1' 1 10 DA H3' 3.920 3.320 4.520 3.745 3.735 3.756 . 0 0 "[ .]" 1
291 2 12 DC H1' 2 12 DC H3' 3.840 3.240 4.440 3.737 3.733 3.740 . 0 0 "[ .]" 1
292 2 1 DG H4' 2 1 DG H8 4.660 4.060 5.260 4.815 4.774 4.888 . 0 0 "[ .]" 1
293 2 13 DG H4' 2 13 DG H8 4.730 4.130 5.330 4.921 4.831 5.031 . 0 0 "[ .]" 1
294 2 10 DT H3' 2 11 DG H8 5.820 5.220 6.420 5.452 5.325 5.632 . 0 0 "[ .]" 1
295 1 12 DG H3' 1 13 DC H6 4.630 4.030 5.230 4.794 4.752 4.859 . 0 0 "[ .]" 1
296 2 6 DC H4' 2 6 DC H6 4.710 4.110 4.820 4.544 4.529 4.568 . 0 0 "[ .]" 1
297 1 10 DA H3' 1 11 DC H6 5.090 4.490 5.690 5.134 4.990 5.249 . 0 0 "[ .]" 1
298 1 11 DC H4' 1 11 DC H6 4.450 3.850 5.050 4.685 4.626 4.772 . 0 0 "[ .]" 1
299 2 6 DC H3' 2 7 DC H6 5.060 4.520 5.660 5.359 5.317 5.388 . 0 0 "[ .]" 1
300 2 10 DT H4' 2 10 DT H6 4.760 4.160 5.360 5.115 5.081 5.140 . 0 0 "[ .]" 1
301 2 2 DC H4' 2 2 DC H6 4.460 3.860 5.060 4.459 4.432 4.506 . 0 0 "[ .]" 1
302 2 12 DC H4' 2 12 DC H6 4.440 3.840 5.040 4.545 4.504 4.612 . 0 0 "[ .]" 1
303 2 12 DC H4' 2 13 DG H8 5.560 4.960 6.160 5.627 5.387 5.883 . 0 0 "[ .]" 1
304 2 7 DC H4' 2 7 DC H6 4.960 4.360 5.560 5.270 5.255 5.286 . 0 0 "[ .]" 1
305 1 6 DG H1' 1 6 DG H3' 3.800 3.200 4.270 3.812 3.788 3.838 . 0 0 "[ .]" 1
306 1 12 DG H1' 1 12 DG H3' 3.880 3.280 4.480 3.668 3.662 3.672 . 0 0 "[ .]" 1
307 2 13 DG H1' 2 13 DG H4' 3.380 2.780 3.980 3.323 3.236 3.384 . 0 0 "[ .]" 1
308 1 6 DG H3' 1 6 DG H4' 2.710 2.110 3.010 2.675 2.666 2.684 . 0 0 "[ .]" 1
309 1 4 DA H1' 1 4 DA H3' 3.810 3.210 4.410 3.750 3.736 3.763 . 0 0 "[ .]" 1
310 1 2 DG H1' 1 3 DC H1' 4.680 4.080 5.280 5.184 5.182 5.185 . 0 0 "[ .]" 1
311 1 6 DG H1' 1 6 DG H4' 3.560 2.960 4.160 3.575 3.506 3.641 . 0 0 "[ .]" 1
312 1 10 DA H3' 1 10 DA H4' 2.860 2.260 3.460 2.810 2.806 2.813 . 0 0 "[ .]" 1
313 2 1 DG H2'' 2 1 DG H8 3.930 3.330 4.530 3.772 3.640 3.841 . 0 0 "[ .]" 1
314 2 1 DG H3' 2 1 DG H8 4.680 4.080 5.280 4.655 4.597 4.686 . 0 0 "[ .]" 1
315 1 2 DG H3' 1 2 DG H8 5.730 5.130 6.330 5.209 5.208 5.211 . 0 0 "[ .]" 1
316 2 11 DG H3' 2 11 DG H8 5.170 4.570 5.770 4.672 4.661 4.688 . 0 0 "[ .]" 1
317 1 12 DG H3' 1 12 DG H8 4.510 3.910 5.110 4.764 4.732 4.810 . 0 0 "[ .]" 1
318 1 3 DC H3' 1 3 DC H6 4.080 3.480 4.680 4.285 4.260 4.320 . 0 0 "[ .]" 1
319 2 12 DC H3' 2 12 DC H6 3.920 3.320 4.520 4.186 4.167 4.208 . 0 0 "[ .]" 1
320 1 1 DC H5' 1 1 DC H6 2.980 2.380 3.580 3.485 3.480 3.487 . 0 0 "[ .]" 1
321 1 1 DC H5'' 1 1 DC H6 3.680 3.080 4.280 4.109 4.037 4.186 . 0 0 "[ .]" 1
322 1 10 DA H4' 1 10 DA H8 5.710 5.110 6.310 5.362 5.351 5.378 . 0 0 "[ .]" 1
323 1 7 3DR H2' 1 7 3DR H3' 2.470 . 3.070 2.482 2.450 2.516 . 0 0 "[ .]" 1
324 1 7 3DR H2'' 1 7 3DR H3' 2.700 2.100 3.300 3.016 3.008 3.025 . 0 0 "[ .]" 1
325 1 4 DA Q2' 1 4 DA H3' 2.330 . 2.930 2.241 2.233 2.251 . 0 0 "[ .]" 1
326 1 10 DA H2' 1 10 DA H3' 2.480 . 3.080 2.503 2.492 2.515 . 0 0 "[ .]" 1
327 2 2 DC H2' 2 2 DC H3' 2.400 . 3.000 2.375 2.364 2.391 . 0 0 "[ .]" 1
328 2 10 DT H1' 2 10 DT H3' 3.700 3.100 4.300 3.695 3.680 3.706 . 0 0 "[ .]" 1
329 1 4 DA H1' 1 4 DA H4' 3.030 2.430 3.630 3.037 3.005 3.074 . 0 0 "[ .]" 1
330 2 9 DA H1' 2 9 DA H4' 3.510 2.910 4.110 3.357 3.293 3.500 . 0 0 "[ .]" 1
331 2 5 DA H1' 2 5 DA H2 4.610 4.010 5.210 4.700 4.680 4.715 . 0 0 "[ .]" 1
332 1 10 DA H1' 1 10 DA H2 5.220 4.620 5.820 4.684 4.680 4.689 . 0 0 "[ .]" 1
333 1 12 DG H3' 1 12 DG H4' 2.820 2.220 3.420 2.774 2.768 2.778 . 0 0 "[ .]" 1
334 2 11 DG H3' 2 11 DG H4' 2.840 2.240 3.440 2.777 2.773 2.781 . 0 0 "[ .]" 1
335 1 9 DT H6 1 9 DT M7 . 3.070 3.090 2.377 2.371 2.384 0.699 5 5 [**-*+] 1
336 1 8 DG H8 1 9 DT M7 . 3.390 3.740 3.267 3.106 3.377 0.284 5 0 "[ .]" 1
337 2 10 DT H6 2 10 DT M7 . 3.090 3.230 2.356 2.350 2.361 0.740 4 5 [***+-] 1
338 2 4 DT H6 2 4 DT M7 2.560 2.210 3.160 2.364 2.357 2.370 . 0 0 "[ .]" 1
339 1 5 DT H6 1 5 DT M7 3.130 3.000 3.730 2.330 2.320 2.350 0.680 1 5 [+***-] 1
340 2 9 DA H3' 2 10 DT M7 5.220 4.620 5.820 4.822 4.675 4.925 . 0 0 "[ .]" 1
341 1 4 DA H3' 1 5 DT M7 5.640 5.040 6.160 4.189 4.149 4.210 0.891 5 5 [-***+] 1
342 1 8 DG H3' 1 9 DT M7 . 4.140 4.190 3.881 3.863 3.887 0.277 3 0 "[ .]" 1
343 2 3 DG H3' 2 4 DT M7 . 4.810 5.090 4.571 4.537 4.613 0.273 3 0 "[ .]" 1
344 1 8 DG H1' 1 9 DT M7 4.630 4.030 4.890 4.321 4.320 4.323 . 0 0 "[ .]" 1
345 2 9 DA H1' 2 10 DT M7 4.620 4.020 5.220 4.693 4.567 4.787 . 0 0 "[ .]" 1
346 1 4 DA Q2' 1 5 DT M7 3.800 3.200 3.890 2.004 1.972 2.032 1.228 5 5 [**-*+] 1
347 1 8 DG H2'' 1 9 DT M7 . 2.650 2.690 2.367 2.353 2.380 0.297 1 0 "[ .]" 1
348 1 8 DG H2' 1 9 DT M7 2.650 2.050 2.680 2.472 2.470 2.473 . 0 0 "[ .]" 1
349 2 3 DG H2'' 2 4 DT M7 . 2.640 2.820 2.426 2.376 2.473 0.264 2 0 "[ .]" 1
350 2 10 DT Q2' 2 10 DT M7 . 4.960 5.190 3.779 3.769 3.790 1.191 4 5 [-**+*] 1
351 2 4 DT H2' 2 4 DT M7 4.530 3.930 4.890 3.938 3.913 3.957 0.017 1 0 "[ .]" 1
352 1 4 DA H1' 1 5 DT M7 . 4.930 5.340 3.588 3.530 3.666 1.400 5 5 [**-*+] 1
353 2 7 DC H1' 2 9 DA H8 5.000 3.500 6.500 6.440 6.203 6.506 0.006 2 0 "[ .]" 1
354 1 8 DG H1' 1 9 DT H4' 3.790 2.940 4.640 5.011 4.992 5.028 0.388 5 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 32
_Distance_constraint_stats_list.Viol_count 39
_Distance_constraint_stats_list.Viol_total 0.503
_Distance_constraint_stats_list.Viol_max 0.012
_Distance_constraint_stats_list.Viol_rms 0.0021
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0026
_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 0.000 0.000 . 0 "[ .]"
1 2 DG 0.002 0.001 1 0 "[ .]"
1 3 DC 0.000 0.000 . 0 "[ .]"
1 4 DA 0.006 0.002 1 0 "[ .]"
1 5 DT 0.003 0.001 1 0 "[ .]"
1 6 DG 0.005 0.003 2 0 "[ .]"
1 8 DG 0.015 0.004 4 0 "[ .]"
1 9 DT 0.060 0.012 5 0 "[ .]"
1 10 DA 0.008 0.002 1 0 "[ .]"
1 11 DC 0.000 0.000 . 0 "[ .]"
1 12 DG 0.002 0.001 4 0 "[ .]"
1 13 DC 0.000 0.000 . 0 "[ .]"
2 1 DG 0.000 0.000 . 0 "[ .]"
2 2 DC 0.002 0.001 4 0 "[ .]"
2 3 DG 0.000 0.000 . 0 "[ .]"
2 4 DT 0.008 0.002 1 0 "[ .]"
2 5 DA 0.060 0.012 5 0 "[ .]"
2 6 DC 0.015 0.004 4 0 "[ .]"
2 7 DC 0.005 0.003 2 0 "[ .]"
2 9 DA 0.003 0.001 1 0 "[ .]"
2 10 DT 0.006 0.002 1 0 "[ .]"
2 11 DG 0.000 0.000 . 0 "[ .]"
2 12 DC 0.002 0.001 1 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 1 1 DC N3 2 13 DG H1 1.940 . 2.040 1.971 1.958 1.988 . 0 0 "[ .]" 2
2 1 1 DC H41 2 13 DG O6 1.900 . 2.000 1.821 1.806 1.841 . 0 0 "[ .]" 2
3 1 1 DC O2 2 13 DG H21 1.840 . 1.940 1.861 1.819 1.900 . 0 0 "[ .]" 2
4 1 2 DG H1 2 12 DC N3 1.940 . 2.040 1.958 1.951 1.965 . 0 0 "[ .]" 2
5 1 2 DG O6 2 12 DC H41 1.900 . 2.000 1.808 1.799 1.842 0.001 1 0 "[ .]" 2
6 1 2 DG H21 2 12 DC O2 1.840 . 1.940 1.874 1.824 1.913 . 0 0 "[ .]" 2
7 1 3 DC N3 2 11 DG H1 1.940 . 2.040 1.958 1.945 1.973 . 0 0 "[ .]" 2
8 1 3 DC H41 2 11 DG O6 1.900 . 2.000 1.868 1.835 1.895 . 0 0 "[ .]" 2
9 1 3 DC O2 2 11 DG H21 1.840 . 1.940 1.839 1.787 1.899 . 0 0 "[ .]" 2
10 1 4 DA N1 2 10 DT H3 1.810 . 1.910 1.844 1.800 1.874 . 0 0 "[ .]" 2
11 1 4 DA H61 2 10 DT O4 1.840 . 1.940 1.935 1.910 1.942 0.002 1 0 "[ .]" 2
12 1 5 DT H3 2 9 DA N1 1.810 . 1.910 1.776 1.743 1.818 . 0 0 "[ .]" 2
13 1 5 DT O4 2 9 DA H61 1.840 . 1.940 1.938 1.925 1.941 0.001 1 0 "[ .]" 2
14 1 9 DT H3 2 5 DA N1 1.810 . 1.910 1.922 1.920 1.922 0.012 5 0 "[ .]" 2
15 1 9 DT O4 2 5 DA H61 1.840 . 1.940 1.902 1.848 1.941 0.001 2 0 "[ .]" 2
16 1 10 DA N1 2 4 DT H3 1.810 . 1.910 1.876 1.828 1.910 0.000 3 0 "[ .]" 2
17 1 10 DA H61 2 4 DT O4 1.840 . 1.940 1.942 1.940 1.942 0.002 1 0 "[ .]" 2
18 1 6 DG H1 2 7 DC N3 1.940 . 2.040 1.963 1.918 1.983 . 0 0 "[ .]" 2
19 1 6 DG O6 2 7 DC H41 1.900 . 2.000 1.799 1.797 1.801 0.003 2 0 "[ .]" 2
20 1 6 DG H21 2 7 DC O2 1.840 . 1.940 1.876 1.825 1.904 . 0 0 "[ .]" 2
21 1 8 DG H1 2 6 DC N3 1.940 . 2.040 1.942 1.922 1.968 . 0 0 "[ .]" 2
22 1 8 DG O6 2 6 DC H41 1.900 . 2.000 2.001 2.000 2.002 0.002 4 0 "[ .]" 2
23 1 8 DG H21 2 6 DC O2 1.840 . 1.940 1.819 1.736 1.943 0.004 4 0 "[ .]" 2
24 1 11 DC N3 2 3 DG H1 1.940 . 2.040 1.914 1.910 1.917 . 0 0 "[ .]" 2
25 1 11 DC H41 2 3 DG O6 1.900 . 2.000 1.826 1.801 1.858 . 0 0 "[ .]" 2
26 1 11 DC O2 2 3 DG H21 1.840 . 1.940 1.825 1.799 1.853 . 0 0 "[ .]" 2
27 1 12 DG H1 2 2 DC N3 1.940 . 2.040 1.926 1.910 1.937 . 0 0 "[ .]" 2
28 1 12 DG O6 2 2 DC H41 1.900 . 2.000 1.801 1.799 1.804 0.001 4 0 "[ .]" 2
29 1 12 DG H21 2 2 DC O2 1.840 . 1.940 1.871 1.819 1.901 . 0 0 "[ .]" 2
30 1 13 DC N3 2 1 DG H1 1.940 . 2.040 1.979 1.972 1.987 . 0 0 "[ .]" 2
31 1 13 DC H41 2 1 DG O6 1.900 . 2.000 1.879 1.859 1.918 . 0 0 "[ .]" 2
32 1 13 DC O2 2 1 DG H21 1.840 . 1.940 1.841 1.823 1.862 . 0 0 "[ .]" 2
stop_
save_
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