Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
487071 | 2kh6 RC | 16225 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kh6
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 335
_Distance_constraint_stats_list.Viol_count 177
_Distance_constraint_stats_list.Viol_total 401.319
_Distance_constraint_stats_list.Viol_max 1.178
_Distance_constraint_stats_list.Viol_rms 0.0755
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0120
_Distance_constraint_stats_list.Viol_average_violations_only 0.2267
_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 DG 13.260 1.178 10 10 [*********+]
1 2 DT 13.771 1.178 10 10 [*********+]
1 3 DG 0.000 0.000 . 0 "[ . 1]"
1 4 DC 0.363 0.132 10 0 "[ . 1]"
1 5 DG 3.164 0.381 10 0 "[ . 1]"
1 6 CTG 2.802 0.381 10 0 "[ . 1]"
1 7 DG 1.591 0.355 4 0 "[ . 1]"
1 8 DT 4.863 0.535 5 1 "[ + 1]"
1 9 DT 8.917 0.535 5 1 "[ + 1]"
1 10 DT 9.259 0.480 1 0 "[ . 1]"
1 11 DG 8.418 0.722 3 4 "[ +*- * 1]"
1 12 DT 7.949 0.722 3 4 "[ +*- * 1]"
2 1 DA 0.007 0.006 10 0 "[ . 1]"
2 2 DC 0.309 0.189 4 0 "[ . 1]"
2 3 DA 0.718 0.189 4 0 "[ . 1]"
2 4 DA 3.259 0.325 7 0 "[ . 1]"
2 5 DA 0.000 0.000 . 0 "[ . 1]"
2 6 DC 0.000 0.000 . 0 "[ . 1]"
2 7 DA 0.000 0.000 . 0 "[ . 1]"
2 8 DC 0.000 0.000 . 0 "[ . 1]"
2 9 DG 0.000 0.000 . 0 "[ . 1]"
2 10 DC 0.035 0.035 3 0 "[ . 1]"
2 11 DA 0.144 0.056 4 0 "[ . 1]"
2 12 DC 0.109 0.056 4 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 DG H1 1 11 DG H22 4.140 . 4.640 2.176 2.162 2.202 . 0 0 "[ . 1]" 1
2 1 10 DT H3 1 11 DG H1 6.980 . 7.480 3.966 3.584 4.283 . 0 0 "[ . 1]" 1
3 1 11 DG H1 2 2 DC H42 5.200 . 5.700 2.404 2.268 2.490 . 0 0 "[ . 1]" 1
4 1 4 DC H42 2 9 DG H1 5.040 . 5.540 2.367 2.249 2.454 . 0 0 "[ . 1]" 1
5 1 3 DG H1 2 10 DC H42 5.070 . 5.570 2.354 2.283 2.466 . 0 0 "[ . 1]" 1
6 1 3 DG H1 1 4 DC H42 6.840 . 7.340 4.074 3.928 4.256 . 0 0 "[ . 1]" 1
7 1 7 DG H1 2 5 DA H2 6.810 . 7.310 4.266 4.008 4.672 . 0 0 "[ . 1]" 1
8 1 7 DG H1 1 7 DG H22 4.000 . 4.500 2.176 2.151 2.218 . 0 0 "[ . 1]" 1
9 1 7 DG H1 1 8 DT H3 6.860 . 7.360 3.411 3.341 3.499 . 0 0 "[ . 1]" 1
10 1 7 DG H1 2 6 DC H42 4.560 . 5.060 2.277 2.199 2.345 . 0 0 "[ . 1]" 1
11 1 10 DT H3 2 3 DA H2 4.760 . 5.260 2.828 2.740 2.900 . 0 0 "[ . 1]" 1
12 1 9 DT H3 2 4 DA H2 4.940 . 5.440 2.809 2.708 2.862 . 0 0 "[ . 1]" 1
13 1 8 DT H3 2 5 DA H2 4.610 . 5.110 2.770 2.709 2.857 . 0 0 "[ . 1]" 1
14 1 2 DT H3 2 11 DA H2 5.540 . 6.040 2.761 2.612 2.891 . 0 0 "[ . 1]" 1
15 1 10 DT H1' 1 10 DT H6 6.000 2.510 6.500 3.676 3.621 3.716 . 0 0 "[ . 1]" 1
16 1 1 DG H1' 1 2 DT H6 5.820 2.860 6.320 3.730 3.461 3.912 . 0 0 "[ . 1]" 1
17 1 1 DG H1' 1 1 DG H8 6.090 2.150 6.590 3.864 3.796 3.907 . 0 0 "[ . 1]" 1
18 1 1 DG H1' 1 2 DT M7 7.790 4.440 8.290 4.131 3.852 4.503 0.588 10 1 "[ . +]" 1
19 1 10 DT H1' 1 11 DG H8 5.400 3.470 5.900 4.600 4.222 5.053 . 0 0 "[ . 1]" 1
20 1 11 DG H1' 1 11 DG H8 6.020 . 6.520 3.843 3.801 3.885 . 0 0 "[ . 1]" 1
21 2 2 DC H1' 2 2 DC H6 5.640 2.890 6.140 3.686 3.674 3.713 . 0 0 "[ . 1]" 1
22 2 2 DC H1' 2 3 DA H8 5.770 2.170 6.270 5.219 4.530 5.593 . 0 0 "[ . 1]" 1
23 2 3 DA H1' 2 3 DA H8 6.070 2.430 6.570 3.859 3.824 3.889 . 0 0 "[ . 1]" 1
24 2 3 DA H1' 2 4 DA H8 5.460 2.950 5.960 3.647 3.376 4.042 . 0 0 "[ . 1]" 1
25 2 4 DA H1' 2 4 DA H8 6.120 . 6.620 3.861 3.838 3.880 . 0 0 "[ . 1]" 1
26 2 4 DA H1' 2 5 DA H8 6.160 2.130 6.660 4.271 3.757 4.828 . 0 0 "[ . 1]" 1
27 2 5 DA H1' 2 6 DC H6 6.280 3.020 6.780 3.726 3.590 3.889 . 0 0 "[ . 1]" 1
28 2 5 DA H1' 2 5 DA H8 4.880 2.360 5.380 3.845 3.810 3.859 . 0 0 "[ . 1]" 1
29 2 6 DC H1' 2 6 DC H6 4.380 2.640 4.880 3.656 3.626 3.671 . 0 0 "[ . 1]" 1
30 2 7 DA H1' 2 8 DC H5 6.630 2.810 7.130 4.560 4.240 4.839 . 0 0 "[ . 1]" 1
31 2 7 DA H1' 2 7 DA H8 5.610 2.500 6.110 3.882 3.860 3.903 . 0 0 "[ . 1]" 1
32 1 2 DT H1' 1 2 DT H6 6.540 2.460 7.040 3.703 3.677 3.730 . 0 0 "[ . 1]" 1
33 2 8 DC H1' 2 8 DC H6 5.060 2.590 5.560 3.669 3.659 3.678 . 0 0 "[ . 1]" 1
34 2 8 DC H1' 2 9 DG H8 5.260 2.470 5.760 4.947 4.541 5.267 . 0 0 "[ . 1]" 1
35 2 9 DG H1' 2 10 DC H6 4.200 2.080 4.700 3.346 3.143 3.543 . 0 0 "[ . 1]" 1
36 2 9 DG H1' 2 9 DG H8 5.720 . 6.220 3.865 3.856 3.880 . 0 0 "[ . 1]" 1
37 2 10 DC H1' 2 10 DC H6 6.590 2.790 7.090 3.667 3.625 3.712 . 0 0 "[ . 1]" 1
38 2 11 DA H1' 2 12 DC H6 5.550 2.650 6.050 4.324 3.302 5.151 . 0 0 "[ . 1]" 1
39 2 11 DA H1' 2 11 DA H8 5.940 2.330 6.440 3.843 3.791 3.883 . 0 0 "[ . 1]" 1
40 2 12 DC H1' 2 12 DC H6 4.780 2.520 5.280 3.679 3.652 3.703 . 0 0 "[ . 1]" 1
41 1 3 DG H1' 1 4 DC H6 6.790 2.610 7.290 3.296 3.058 3.484 . 0 0 "[ . 1]" 1
42 1 4 DC H1' 1 4 DC H6 4.390 2.700 4.890 3.675 3.660 3.687 . 0 0 "[ . 1]" 1
43 1 4 DC H1' 1 5 DG H8 4.690 2.430 5.190 4.432 4.283 4.677 . 0 0 "[ . 1]" 1
44 1 5 DG H1' 1 6 CTG H6 5.000 2.610 5.500 2.889 2.763 3.009 . 0 0 "[ . 1]" 1
45 1 5 DG H1' 1 5 DG H8 5.750 2.430 6.250 3.875 3.866 3.890 . 0 0 "[ . 1]" 1
46 1 7 DG H1' 1 8 DT M7 7.550 2.840 8.050 4.393 4.343 4.483 . 0 0 "[ . 1]" 1
47 1 8 DT H1' 1 9 DT M7 7.470 4.030 7.970 4.656 4.487 4.773 . 0 0 "[ . 1]" 1
48 1 9 DT H1' 1 10 DT M7 8.080 4.660 8.580 4.470 4.378 4.563 0.282 4 0 "[ . 1]" 1
49 2 5 DA H2' 2 6 DC H5 4.850 3.240 5.350 4.306 4.033 4.543 . 0 0 "[ . 1]" 1
50 2 9 DG H2' 2 10 DC H5 6.320 2.640 6.820 3.684 3.347 4.086 . 0 0 "[ . 1]" 1
51 2 1 DA H2'' 2 2 DC H5 4.780 . 5.280 3.532 2.930 4.033 . 0 0 "[ . 1]" 1
52 2 11 DA H2'' 2 12 DC H5 6.180 2.610 6.680 4.224 3.228 5.137 . 0 0 "[ . 1]" 1
53 1 3 DG H2'' 1 4 DC H5 4.000 2.190 4.500 3.483 3.107 3.668 . 0 0 "[ . 1]" 1
54 1 1 DG H3' 1 1 DG H8 6.440 2.150 6.940 4.394 4.244 4.573 . 0 0 "[ . 1]" 1
55 1 1 DG H3' 1 2 DT M7 6.570 2.780 7.070 4.650 4.369 4.807 . 0 0 "[ . 1]" 1
56 1 10 DT H3' 1 11 DG H8 6.340 2.610 6.840 4.227 4.026 4.512 . 0 0 "[ . 1]" 1
57 1 10 DT H3' 1 10 DT M7 9.040 2.590 9.540 5.087 4.678 5.414 . 0 0 "[ . 1]" 1
58 1 11 DG H3' 1 11 DG H8 5.000 . 5.500 3.516 2.494 4.484 . 0 0 "[ . 1]" 1
59 1 11 DG H3' 1 12 DT M7 9.020 3.870 9.520 4.081 3.148 5.266 0.722 3 3 "[ +*- 1]" 1
60 1 12 DT H3' 1 12 DT H6 4.690 2.100 5.190 3.041 2.482 3.899 . 0 0 "[ . 1]" 1
61 2 1 DA H3' 2 1 DA H8 6.480 . 6.980 4.072 3.561 4.281 . 0 0 "[ . 1]" 1
62 2 2 DC H3' 2 2 DC H6 6.100 . 6.600 3.187 2.459 3.964 . 0 0 "[ . 1]" 1
63 2 3 DA H3' 2 3 DA H8 6.620 2.630 7.120 4.302 4.082 4.484 . 0 0 "[ . 1]" 1
64 2 4 DA H3' 2 5 DA H8 6.350 2.760 6.850 4.878 4.507 5.170 . 0 0 "[ . 1]" 1
65 2 5 DA H3' 2 6 DC H6 5.890 2.160 6.390 5.056 4.917 5.217 . 0 0 "[ . 1]" 1
66 2 5 DA H3' 2 5 DA H8 6.640 . 7.140 4.425 4.289 4.556 . 0 0 "[ . 1]" 1
67 2 6 DC H3' 2 6 DC H6 6.290 2.580 6.790 4.365 4.276 4.528 . 0 0 "[ . 1]" 1
68 2 6 DC H3' 2 7 DA H8 5.430 2.440 5.930 3.622 3.366 3.881 . 0 0 "[ . 1]" 1
69 2 7 DA H3' 2 7 DA H8 6.060 2.080 6.560 4.286 4.149 4.381 . 0 0 "[ . 1]" 1
70 1 2 DT H3' 1 2 DT H6 5.830 2.140 6.330 4.058 3.774 4.163 . 0 0 "[ . 1]" 1
71 1 2 DT H3' 1 2 DT M7 7.810 5.010 8.310 5.584 5.334 5.682 . 0 0 "[ . 1]" 1
72 2 9 DG H3' 2 10 DC H5 6.150 3.530 6.650 5.784 5.476 6.186 . 0 0 "[ . 1]" 1
73 2 9 DG H3' 2 10 DC H6 5.590 2.460 6.090 5.015 4.897 5.156 . 0 0 "[ . 1]" 1
74 2 9 DG H3' 2 9 DG H8 5.820 . 6.320 4.311 4.193 4.400 . 0 0 "[ . 1]" 1
75 2 10 DC H3' 2 11 DA H8 6.570 2.810 7.070 4.311 3.938 4.733 . 0 0 "[ . 1]" 1
76 2 11 DA H3' 2 11 DA H8 5.660 2.690 6.160 3.528 2.695 4.257 . 0 0 "[ . 1]" 1
77 2 12 DC H3' 2 12 DC H6 3.770 . 4.270 2.749 2.345 3.425 . 0 0 "[ . 1]" 1
78 1 3 DG H3' 1 4 DC H5 6.150 2.960 6.650 5.864 5.548 6.008 . 0 0 "[ . 1]" 1
79 1 3 DG H3' 1 3 DG H8 5.810 . 6.310 4.362 4.274 4.429 . 0 0 "[ . 1]" 1
80 1 5 DG H3' 1 5 DG H8 6.160 2.190 6.660 4.417 4.341 4.490 . 0 0 "[ . 1]" 1
81 1 7 DG H3' 1 7 DG H8 6.500 . 7.000 4.352 4.214 4.446 . 0 0 "[ . 1]" 1
82 1 7 DG H3' 1 8 DT M7 8.610 3.020 9.110 4.545 4.255 4.734 . 0 0 "[ . 1]" 1
83 1 2 DT H4' 1 2 DT H6 6.350 2.170 6.850 4.698 4.584 4.834 . 0 0 "[ . 1]" 1
84 1 7 DG H4' 1 8 DT M7 7.360 2.810 7.860 5.971 5.849 6.104 . 0 0 "[ . 1]" 1
85 2 5 DA H8 2 6 DC H5 5.860 2.370 6.360 4.173 3.723 4.610 . 0 0 "[ . 1]" 1
86 2 7 DA H8 2 8 DC H5 4.500 2.720 5.000 3.587 3.390 3.953 . 0 0 "[ . 1]" 1
87 2 9 DG H8 2 10 DC H5 5.450 2.890 5.950 3.722 3.512 3.904 . 0 0 "[ . 1]" 1
88 1 2 DT H6 1 3 DG H8 5.900 2.800 6.400 4.865 4.085 5.250 . 0 0 "[ . 1]" 1
89 2 7 DA H8 2 8 DC H6 5.000 2.760 5.500 4.547 4.375 4.828 . 0 0 "[ . 1]" 1
90 1 1 DG H8 1 2 DT M7 9.020 2.900 9.520 3.105 2.939 3.384 . 0 0 "[ . 1]" 1
91 2 1 DA H5' 2 1 DA H8 6.200 . 6.700 3.236 2.243 4.395 . 0 0 "[ . 1]" 1
92 1 2 DT H5' 1 2 DT M7 9.190 3.560 9.690 5.613 5.354 5.955 . 0 0 "[ . 1]" 1
93 1 8 DT H5' 1 8 DT M7 8.660 4.900 9.160 5.414 5.332 5.616 . 0 0 "[ . 1]" 1
94 2 11 DA H1' 2 12 DC H5' 5.380 . 5.880 4.149 3.275 4.951 . 0 0 "[ . 1]" 1
95 1 3 DG H1 2 11 DA H2 6.920 . 7.420 4.249 3.758 4.767 . 0 0 "[ . 1]" 1
96 1 9 DT H3 2 5 DA H2 5.840 . 6.340 3.313 3.141 3.460 . 0 0 "[ . 1]" 1
97 1 10 DT H3 2 3 DA H61 6.490 . 6.990 2.260 2.200 2.334 . 0 0 "[ . 1]" 1
98 1 10 DT H3 2 3 DA H62 6.580 . 7.080 3.818 3.722 3.918 . 0 0 "[ . 1]" 1
99 1 2 DT H3 2 11 DA H61 6.230 . 6.730 2.358 2.261 2.427 . 0 0 "[ . 1]" 1
100 1 2 DT H3 2 11 DA H62 6.860 . 7.360 3.926 3.857 3.987 . 0 0 "[ . 1]" 1
101 1 8 DT H3 2 4 DA H61 4.290 . 4.790 3.530 3.359 3.819 . 0 0 "[ . 1]" 1
102 1 9 DT H3 2 4 DA H61 5.970 . 6.470 2.373 2.319 2.432 . 0 0 "[ . 1]" 1
103 1 9 DT H3 2 4 DA H62 6.430 . 6.930 3.923 3.856 4.008 . 0 0 "[ . 1]" 1
104 1 11 DG H1' 1 12 DT M7 9.250 2.980 9.750 4.696 4.094 5.296 . 0 0 "[ . 1]" 1
105 2 1 DA H1' 2 2 DC H6 5.020 2.280 5.520 3.728 3.263 4.484 . 0 0 "[ . 1]" 1
106 2 6 DC H1' 2 7 DA H8 5.970 2.090 6.470 4.659 4.527 4.895 . 0 0 "[ . 1]" 1
107 2 7 DA H1' 2 8 DC H6 6.070 2.740 6.570 3.319 3.063 3.485 . 0 0 "[ . 1]" 1
108 2 9 DG H1' 2 10 DC H5 5.630 2.450 6.130 4.483 4.136 4.824 . 0 0 "[ . 1]" 1
109 2 10 DC H1' 2 11 DA H8 5.180 2.010 5.680 4.413 3.607 4.982 . 0 0 "[ . 1]" 1
110 2 2 DC H2' 2 3 DA H8 4.950 2.730 5.450 2.851 2.541 3.151 0.189 4 0 "[ . 1]" 1
111 2 7 DA H2' 2 8 DC H5 4.960 2.820 5.460 3.708 3.583 3.793 . 0 0 "[ . 1]" 1
112 1 2 DT H2' 1 3 DG H8 5.540 2.890 6.040 3.435 3.092 3.727 . 0 0 "[ . 1]" 1
113 1 2 DT H2' 1 2 DT M7 7.850 2.530 8.350 3.950 3.856 4.017 . 0 0 "[ . 1]" 1
114 2 8 DC H2' 2 8 DC H5 5.500 . 6.000 4.739 4.631 4.840 . 0 0 "[ . 1]" 1
115 2 10 DC H2' 2 10 DC H5 4.860 2.290 5.360 4.508 4.319 4.623 . 0 0 "[ . 1]" 1
116 2 11 DA H2' 2 12 DC H5 4.330 3.210 4.830 3.446 3.226 3.690 . 0 0 "[ . 1]" 1
117 1 3 DG H2' 1 4 DC H5 6.450 2.970 6.950 3.763 3.526 3.931 . 0 0 "[ . 1]" 1
118 1 4 DC H2' 1 4 DC H5 4.600 2.180 5.100 4.462 4.395 4.520 . 0 0 "[ . 1]" 1
119 2 10 DC H2'' 2 10 DC H5 6.560 2.200 7.060 5.797 5.538 5.984 . 0 0 "[ . 1]" 1
120 1 5 DG H2'' 1 6 CTG H6 6.530 3.060 7.030 2.780 2.679 2.932 0.381 10 0 "[ . 1]" 1
121 1 11 DG H3' 1 12 DT H6 5.600 2.400 6.100 4.574 3.668 5.492 . 0 0 "[ . 1]" 1
122 2 7 DA H3' 2 8 DC H5 5.730 2.300 6.230 5.856 5.711 5.963 . 0 0 "[ . 1]" 1
123 1 2 DT H3' 1 3 DG H8 6.130 2.990 6.630 4.783 4.483 5.144 . 0 0 "[ . 1]" 1
124 2 11 DA H3' 2 12 DC H6 6.090 3.290 6.590 4.549 3.945 5.051 . 0 0 "[ . 1]" 1
125 1 3 DG H3' 1 4 DC H6 6.460 2.810 6.960 5.058 4.931 5.172 . 0 0 "[ . 1]" 1
126 1 7 DG H3' 1 8 DT H6 6.170 . 6.670 5.026 4.737 5.137 . 0 0 "[ . 1]" 1
127 1 8 DT H3' 1 9 DT M7 8.680 2.860 9.180 2.888 2.657 3.204 0.203 6 0 "[ . 1]" 1
128 2 4 DA H4' 2 4 DA H8 6.840 4.930 7.340 4.941 4.809 5.121 0.121 5 0 "[ . 1]" 1
129 2 5 DA H4' 2 5 DA H8 5.970 2.200 6.470 5.200 5.079 5.409 . 0 0 "[ . 1]" 1
130 2 6 DC H4' 2 6 DC H6 4.850 2.700 5.350 4.255 4.131 4.336 . 0 0 "[ . 1]" 1
131 2 7 DA H4' 2 7 DA H8 6.830 . 7.330 5.025 4.896 5.168 . 0 0 "[ . 1]" 1
132 2 9 DG H4' 2 9 DG H8 6.480 2.960 6.980 5.004 4.849 5.133 . 0 0 "[ . 1]" 1
133 2 11 DA H4' 2 11 DA H8 6.840 3.870 7.340 4.701 4.391 4.993 . 0 0 "[ . 1]" 1
134 1 5 DG H4' 1 5 DG H8 6.550 2.290 7.050 5.026 4.964 5.114 . 0 0 "[ . 1]" 1
135 1 7 DG H4' 1 7 DG H8 6.830 2.730 7.330 4.732 4.673 4.783 . 0 0 "[ . 1]" 1
136 2 1 DA H8 2 2 DC H5 6.570 2.480 7.070 3.899 3.764 4.091 . 0 0 "[ . 1]" 1
137 2 11 DA H8 2 12 DC H5 6.410 2.390 6.910 4.013 3.711 4.393 . 0 0 "[ . 1]" 1
138 1 3 DG H8 1 4 DC H5 6.590 3.330 7.090 3.833 3.627 4.168 . 0 0 "[ . 1]" 1
139 1 10 DT H6 1 11 DG H8 6.180 3.910 6.680 4.969 4.313 5.337 . 0 0 "[ . 1]" 1
140 1 11 DG H8 1 12 DT H6 6.360 3.560 6.860 4.796 4.424 5.224 . 0 0 "[ . 1]" 1
141 2 5 DA H8 2 6 DC H6 5.330 3.750 5.830 4.799 4.316 5.183 . 0 0 "[ . 1]" 1
142 2 6 DC H6 2 7 DA H8 5.150 3.000 5.650 5.183 4.959 5.371 . 0 0 "[ . 1]" 1
143 2 8 DC H6 2 9 DG H8 6.330 3.470 6.830 4.879 4.435 5.462 . 0 0 "[ . 1]" 1
144 2 9 DG H8 2 10 DC H6 5.810 2.860 6.310 4.743 4.346 5.000 . 0 0 "[ . 1]" 1
145 2 10 DC H6 2 11 DA H8 6.800 2.780 7.300 5.014 4.512 5.337 . 0 0 "[ . 1]" 1
146 2 11 DA H8 2 12 DC H6 5.750 3.010 6.250 5.015 4.615 5.376 . 0 0 "[ . 1]" 1
147 1 3 DG H8 1 4 DC H6 5.740 2.730 6.240 4.822 4.621 5.045 . 0 0 "[ . 1]" 1
148 1 4 DC H6 1 5 DG H8 5.930 2.860 6.430 5.142 4.904 5.341 . 0 0 "[ . 1]" 1
149 1 7 DG H8 1 8 DT H6 6.620 2.100 7.120 5.114 4.834 5.489 . 0 0 "[ . 1]" 1
150 1 1 DG H5' 1 1 DG H8 5.620 . 6.120 4.238 3.800 4.762 . 0 0 "[ . 1]" 1
151 1 12 DT H5' 1 12 DT H6 5.490 2.080 5.990 4.311 3.973 4.771 . 0 0 "[ . 1]" 1
152 2 3 DA H5' 2 3 DA H8 6.800 2.070 7.300 4.476 4.211 4.873 . 0 0 "[ . 1]" 1
153 2 7 DA H5' 2 7 DA H8 6.290 2.150 6.790 4.454 4.260 4.674 . 0 0 "[ . 1]" 1
154 2 8 DC H5' 2 8 DC H6 5.520 2.280 6.020 4.540 4.408 4.647 . 0 0 "[ . 1]" 1
155 2 9 DG H5' 2 9 DG H8 5.830 . 6.330 4.559 4.150 4.994 . 0 0 "[ . 1]" 1
156 2 11 DA H5' 2 11 DA H8 6.420 3.340 6.920 4.293 4.110 4.478 . 0 0 "[ . 1]" 1
157 2 12 DC H5' 2 12 DC H6 5.550 2.340 6.050 4.256 4.029 4.624 . 0 0 "[ . 1]" 1
158 1 7 DG H5' 1 7 DG H8 5.990 3.020 6.490 4.308 4.081 4.589 . 0 0 "[ . 1]" 1
159 1 1 DG H5'' 1 1 DG H8 6.040 2.100 6.540 4.890 4.604 5.176 . 0 0 "[ . 1]" 1
160 2 3 DA H5'' 2 3 DA H8 6.520 2.150 7.020 4.707 4.402 5.252 . 0 0 "[ . 1]" 1
161 2 6 DC H5'' 2 6 DC H6 6.080 2.390 6.580 2.670 2.419 2.916 . 0 0 "[ . 1]" 1
162 2 11 DA H5'' 2 11 DA H8 4.980 2.950 5.480 4.658 4.370 4.842 . 0 0 "[ . 1]" 1
163 2 2 DC H1' 2 3 DA H5' 5.270 2.980 5.770 4.203 3.573 4.633 . 0 0 "[ . 1]" 1
164 2 7 DA H1' 2 8 DC H1' 4.040 2.600 4.540 4.187 4.100 4.323 . 0 0 "[ . 1]" 1
165 1 2 DT H1' 1 3 DG H5' 5.130 2.500 5.630 3.458 3.065 3.819 . 0 0 "[ . 1]" 1
166 2 8 DC H1' 2 9 DG H5' 4.610 2.570 5.110 4.340 4.147 4.505 . 0 0 "[ . 1]" 1
167 2 8 DC H2'' 2 9 DG H5' 5.250 2.350 5.750 2.792 2.412 3.059 . 0 0 "[ . 1]" 1
168 1 12 DT H1' 1 12 DT H6 6.460 2.210 6.960 3.670 3.650 3.694 . 0 0 "[ . 1]" 1
169 2 11 DA H1' 2 12 DC H5 5.870 2.810 6.370 5.148 4.432 5.708 . 0 0 "[ . 1]" 1
170 1 3 DG H1' 1 4 DC H5 4.680 3.260 5.180 4.453 4.113 4.616 . 0 0 "[ . 1]" 1
171 1 7 DG H1' 1 7 DG H8 5.970 . 6.470 3.837 3.817 3.868 . 0 0 "[ . 1]" 1
172 1 9 DT H1' 1 10 DT H6 4.400 2.130 4.900 3.870 3.699 4.171 . 0 0 "[ . 1]" 1
173 1 9 DT H1' 1 9 DT H6 4.310 . 4.810 3.711 3.691 3.721 . 0 0 "[ . 1]" 1
174 1 1 DG Q2' 1 2 DT H6 4.260 2.550 4.760 2.531 2.455 2.593 0.095 5 0 "[ . 1]" 1
175 1 1 DG Q2' 1 2 DT M7 . 3.530 6.130 2.551 2.352 2.781 1.178 10 10 [*******-*+] 1
176 2 1 DA H2' 2 2 DC H5 4.530 2.060 5.030 3.379 2.790 3.802 . 0 0 "[ . 1]" 1
177 2 1 DA H2' 2 2 DC H6 5.160 2.640 5.660 3.379 2.639 3.761 0.001 4 0 "[ . 1]" 1
178 2 3 DA H2' 2 4 DA H8 5.840 2.270 6.340 3.622 3.108 4.186 . 0 0 "[ . 1]" 1
179 2 6 DC H2' 2 6 DC H5 4.760 . 5.260 4.666 4.599 4.709 . 0 0 "[ . 1]" 1
180 2 12 DC H2' 2 12 DC H5 4.710 . 5.210 4.521 4.396 4.696 . 0 0 "[ . 1]" 1
181 1 3 DG H2' 1 4 DC H6 4.320 2.540 4.820 3.698 3.467 3.891 . 0 0 "[ . 1]" 1
182 1 8 DT H2' 1 8 DT M7 7.060 2.590 7.560 4.861 4.578 5.095 . 0 0 "[ . 1]" 1
183 1 1 DG Q2' 1 1 DG H8 4.210 2.140 4.710 2.341 2.177 2.514 . 0 0 "[ . 1]" 1
184 2 2 DC H2'' 2 3 DA H8 5.960 2.740 6.460 3.352 2.626 4.053 0.114 1 0 "[ . 1]" 1
185 2 5 DA H2'' 2 6 DC H5 4.220 2.410 4.720 3.748 3.517 4.001 . 0 0 "[ . 1]" 1
186 2 7 DA H2'' 2 8 DC H5 5.240 2.410 5.740 3.619 3.375 3.821 . 0 0 "[ . 1]" 1
187 1 3 DG H2'' 1 4 DC H6 3.170 2.150 3.670 2.354 2.253 2.420 . 0 0 "[ . 1]" 1
188 2 1 DA H3' 2 2 DC H6 5.580 2.310 6.080 4.826 4.338 5.115 . 0 0 "[ . 1]" 1
189 2 2 DC H3' 2 3 DA H8 6.490 3.140 6.990 4.095 3.557 4.628 . 0 0 "[ . 1]" 1
190 2 8 DC H3' 2 8 DC H6 5.170 2.050 5.670 3.493 2.780 3.851 . 0 0 "[ . 1]" 1
191 2 8 DC H3' 2 9 DG H8 5.620 3.190 6.120 4.124 3.854 4.443 . 0 0 "[ . 1]" 1
192 2 10 DC H3' 2 10 DC H6 5.480 2.500 5.980 3.580 3.108 3.997 . 0 0 "[ . 1]" 1
193 1 4 DC H3' 1 4 DC H6 6.200 2.250 6.700 3.741 3.610 3.991 . 0 0 "[ . 1]" 1
194 1 4 DC H3' 1 5 DG H8 6.320 2.420 6.820 4.316 4.130 4.426 . 0 0 "[ . 1]" 1
195 1 1 DG H4' 1 1 DG H8 6.490 2.260 6.990 4.953 4.852 5.046 . 0 0 "[ . 1]" 1
196 1 10 DT H4' 1 10 DT H6 6.110 2.940 6.610 4.559 4.474 4.650 . 0 0 "[ . 1]" 1
197 1 11 DG H4' 1 11 DG H8 6.860 2.410 7.360 4.732 4.340 5.142 . 0 0 "[ . 1]" 1
198 2 3 DA H4' 2 3 DA H8 6.810 2.330 7.310 4.988 4.840 5.198 . 0 0 "[ . 1]" 1
199 1 3 DG H4' 1 3 DG H8 6.790 2.760 7.290 4.959 4.764 5.140 . 0 0 "[ . 1]" 1
200 1 4 DC H4' 1 4 DC H6 5.000 . 5.500 4.484 4.406 4.517 . 0 0 "[ . 1]" 1
201 1 8 DT H4' 1 8 DT H6 4.490 2.270 4.990 4.228 4.184 4.326 . 0 0 "[ . 1]" 1
202 2 1 DA H8 2 2 DC H6 5.680 2.990 6.180 4.996 4.705 5.251 . 0 0 "[ . 1]" 1
203 2 2 DC H6 2 3 DA H8 6.380 2.810 6.880 5.000 4.668 5.488 . 0 0 "[ . 1]" 1
204 1 11 DG H8 1 12 DT M7 8.380 3.370 8.880 3.058 2.930 3.247 0.440 2 0 "[ . 1]" 1
205 1 3 DG H1' 1 4 DC H5' 3.230 2.320 3.730 3.136 2.910 3.239 . 0 0 "[ . 1]" 1
206 1 4 DC H1' 1 5 DG H5' 3.530 2.660 4.030 3.571 3.385 3.668 . 0 0 "[ . 1]" 1
207 1 11 DG H5' 1 11 DG H8 5.370 2.390 5.870 4.393 4.013 4.819 . 0 0 "[ . 1]" 1
208 2 5 DA H5' 2 5 DA H8 6.590 2.040 7.090 4.824 4.498 5.211 . 0 0 "[ . 1]" 1
209 2 6 DC H5' 2 6 DC H6 4.620 2.110 5.120 4.197 3.899 4.420 . 0 0 "[ . 1]" 1
210 1 3 DG H5' 1 3 DG H8 5.420 2.050 5.920 4.455 3.936 5.050 . 0 0 "[ . 1]" 1
211 1 3 DG H5'' 1 3 DG H8 6.600 2.410 7.100 4.945 4.546 5.616 . 0 0 "[ . 1]" 1
212 1 7 DG H5'' 1 7 DG H8 5.000 2.120 5.500 4.832 4.524 5.169 . 0 0 "[ . 1]" 1
213 1 10 DT H5' 1 10 DT H6 5.050 . 5.550 4.561 4.385 4.691 . 0 0 "[ . 1]" 1
214 1 10 DT H3 2 4 DA H2 6.410 4.670 6.910 4.410 4.345 4.477 0.325 7 0 "[ . 1]" 1
215 2 6 DC H2'' 2 7 DA H5' 4.420 2.300 4.920 2.877 2.772 2.959 . 0 0 "[ . 1]" 1
216 1 1 DG Q2' 1 2 DT H5' 5.920 2.030 6.420 3.608 3.436 3.756 . 0 0 "[ . 1]" 1
217 2 10 DC H1' 2 11 DA H5' 4.320 3.140 4.820 3.999 3.730 4.394 . 0 0 "[ . 1]" 1
218 2 6 DC H1' 2 7 DA H5' 4.140 2.130 4.640 3.403 3.210 3.622 . 0 0 "[ . 1]" 1
219 2 1 DA H1' 2 2 DC H5' 4.690 . 5.190 3.792 3.310 4.467 . 0 0 "[ . 1]" 1
220 1 11 DG H1' 1 12 DT H6 5.560 2.420 6.060 4.357 3.548 5.196 . 0 0 "[ . 1]" 1
221 1 2 DT H1' 1 3 DG H8 4.200 2.110 4.700 3.844 3.404 4.192 . 0 0 "[ . 1]" 1
222 1 3 DG H1' 1 3 DG H8 4.220 2.070 4.720 3.867 3.846 3.880 . 0 0 "[ . 1]" 1
223 1 7 DG H1' 1 8 DT H6 6.590 . 7.090 4.044 3.716 4.216 . 0 0 "[ . 1]" 1
224 1 8 DT H1' 1 8 DT H6 6.910 2.880 7.410 3.584 3.560 3.607 . 0 0 "[ . 1]" 1
225 1 8 DT H1' 1 9 DT H6 5.080 2.460 5.580 4.953 4.623 5.086 . 0 0 "[ . 1]" 1
226 1 10 DT H2' 1 11 DG H8 4.750 2.560 5.250 2.590 2.378 2.880 0.182 2 0 "[ . 1]" 1
227 2 4 DA H2' 2 5 DA H8 6.560 2.490 7.060 3.411 2.919 3.704 . 0 0 "[ . 1]" 1
228 2 5 DA H2' 2 6 DC H6 4.150 2.170 4.650 3.890 3.777 3.968 . 0 0 "[ . 1]" 1
229 2 6 DC H2' 2 7 DA H8 3.750 2.250 4.250 2.576 2.443 2.744 . 0 0 "[ . 1]" 1
230 2 7 DA H2' 2 8 DC H6 4.430 2.270 4.930 3.521 3.382 3.770 . 0 0 "[ . 1]" 1
231 2 9 DG H2' 2 10 DC H6 5.650 2.200 6.150 3.641 3.284 3.799 . 0 0 "[ . 1]" 1
232 2 10 DC H2' 2 11 DA H8 4.140 2.490 4.640 2.789 2.455 3.210 0.035 3 0 "[ . 1]" 1
233 2 11 DA H2' 2 12 DC H6 5.110 2.460 5.610 3.051 2.404 3.733 0.056 4 0 "[ . 1]" 1
234 1 4 DC H2' 1 5 DG H8 3.680 2.420 4.180 2.856 2.633 3.029 . 0 0 "[ . 1]" 1
235 1 7 DG H2' 1 8 DT H6 3.650 . 4.150 3.368 3.028 3.489 . 0 0 "[ . 1]" 1
236 1 7 DG H2' 1 8 DT M7 7.730 2.890 8.230 2.731 2.535 2.864 0.355 4 0 "[ . 1]" 1
237 2 1 DA H2'' 2 2 DC H6 4.200 2.270 4.700 2.398 2.264 2.602 0.006 10 0 "[ . 1]" 1
238 2 1 DA H2'' 2 1 DA H8 6.460 2.270 6.960 3.793 3.602 4.259 . 0 0 "[ . 1]" 1
239 2 3 DA H2'' 2 3 DA H8 6.600 2.050 7.100 3.657 3.447 3.869 . 0 0 "[ . 1]" 1
240 2 5 DA H2'' 2 6 DC H6 6.140 2.120 6.640 2.443 2.324 2.565 . 0 0 "[ . 1]" 1
241 2 6 DC H2'' 2 6 DC H6 4.290 . 4.790 4.135 4.099 4.192 . 0 0 "[ . 1]" 1
242 2 6 DC H2'' 2 7 DA H8 4.040 2.040 4.540 2.394 2.279 2.598 . 0 0 "[ . 1]" 1
243 1 2 DT H2'' 1 2 DT H6 3.590 . 4.090 3.615 3.420 3.735 . 0 0 "[ . 1]" 1
244 1 2 DT H2'' 1 3 DG H8 5.930 2.120 6.430 2.263 2.139 2.591 . 0 0 "[ . 1]" 1
245 2 9 DG H2'' 2 10 DC H5 4.830 2.010 5.330 3.455 3.166 3.849 . 0 0 "[ . 1]" 1
246 2 9 DG H2'' 2 10 DC H6 4.150 2.140 4.650 2.319 2.228 2.410 . 0 0 "[ . 1]" 1
247 2 10 DC H2'' 2 10 DC H6 5.840 . 6.340 3.940 3.622 4.209 . 0 0 "[ . 1]" 1
248 2 10 DC H2'' 2 11 DA H8 3.910 . 4.410 2.582 2.125 3.133 . 0 0 "[ . 1]" 1
249 2 11 DA H2'' 2 12 DC H6 4.700 2.010 5.200 2.985 2.313 3.732 . 0 0 "[ . 1]" 1
250 2 11 DA H2'' 2 11 DA H8 6.070 . 6.570 4.031 3.545 4.457 . 0 0 "[ . 1]" 1
251 1 4 DC H2'' 1 4 DC H6 5.320 . 5.820 3.954 3.856 4.049 . 0 0 "[ . 1]" 1
252 1 5 DG H2'' 1 5 DG H8 4.590 . 5.090 3.645 3.590 3.768 . 0 0 "[ . 1]" 1
253 1 7 DG H2'' 1 7 DG H8 6.120 2.790 6.620 4.068 3.900 4.225 . 0 0 "[ . 1]" 1
254 1 8 DT H2'' 1 8 DT H6 4.120 . 4.620 4.389 4.238 4.530 . 0 0 "[ . 1]" 1
255 1 8 DT H2'' 1 9 DT H6 3.630 . 4.130 3.400 2.830 3.669 . 0 0 "[ . 1]" 1
256 1 1 DG H3' 1 2 DT H6 5.500 2.510 6.000 5.211 5.098 5.332 . 0 0 "[ . 1]" 1
257 2 3 DA H3' 2 4 DA H8 5.580 2.510 6.080 4.893 4.550 5.149 . 0 0 "[ . 1]" 1
258 2 4 DA H3' 2 4 DA H8 5.220 . 5.720 4.262 4.091 4.426 . 0 0 "[ . 1]" 1
259 1 12 DT H4' 1 12 DT H6 5.340 2.190 5.840 4.355 4.136 4.600 . 0 0 "[ . 1]" 1
260 1 9 DT H4' 1 9 DT H6 4.540 2.080 5.040 4.537 4.474 4.575 . 0 0 "[ . 1]" 1
261 1 9 DT H6 1 10 DT M7 6.290 2.280 6.790 2.929 2.719 3.126 . 0 0 "[ . 1]" 1
262 1 7 DG H8 1 8 DT M7 5.990 2.760 6.490 3.222 3.037 3.517 . 0 0 "[ . 1]" 1
263 1 9 DT H1' 1 10 DT H5' 4.970 2.170 5.470 3.060 2.766 3.438 . 0 0 "[ . 1]" 1
264 2 2 DC H5' 2 2 DC H6 5.270 2.120 5.770 4.400 4.093 4.731 . 0 0 "[ . 1]" 1
265 1 2 DT H5' 1 2 DT H6 5.780 2.190 6.280 4.431 4.245 4.714 . 0 0 "[ . 1]" 1
266 1 4 DC H5' 1 4 DC H6 4.370 2.740 4.870 4.206 4.043 4.317 . 0 0 "[ . 1]" 1
267 1 5 DG H5' 1 5 DG H8 5.530 2.280 6.030 4.387 4.280 4.566 . 0 0 "[ . 1]" 1
268 1 4 DC H5'' 1 4 DC H6 6.010 2.140 6.510 4.822 4.635 4.980 . 0 0 "[ . 1]" 1
269 2 4 DA H1' 2 5 DA H5' 4.030 2.610 4.530 3.200 2.770 3.834 . 0 0 "[ . 1]" 1
270 2 1 DA H1' 2 1 DA H8 5.250 . 5.750 3.826 3.798 3.867 . 0 0 "[ . 1]" 1
271 1 10 DT H2' 1 10 DT H6 5.120 . 5.620 2.769 2.408 3.024 . 0 0 "[ . 1]" 1
272 2 1 DA H2' 2 1 DA H8 3.620 . 4.120 2.395 2.162 2.915 . 0 0 "[ . 1]" 1
273 2 2 DC H2' 2 2 DC H6 3.770 . 4.270 2.762 2.380 3.132 . 0 0 "[ . 1]" 1
274 2 3 DA H2' 2 3 DA H8 5.600 2.170 6.100 2.283 2.159 2.489 0.011 8 0 "[ . 1]" 1
275 2 4 DA H2' 2 4 DA H8 2.910 . 3.410 2.398 2.181 2.848 . 0 0 "[ . 1]" 1
276 2 5 DA H2' 2 5 DA H8 4.960 . 5.460 2.240 2.197 2.286 . 0 0 "[ . 1]" 1
277 2 6 DC H2' 2 6 DC H6 4.700 . 5.200 2.818 2.772 2.893 . 0 0 "[ . 1]" 1
278 2 7 DA H2' 2 7 DA H8 5.120 2.150 5.620 2.274 2.178 2.359 . 0 0 "[ . 1]" 1
279 1 2 DT H2' 1 2 DT H6 5.400 . 5.900 2.234 2.085 2.331 . 0 0 "[ . 1]" 1
280 2 8 DC H2' 2 8 DC H6 4.490 . 4.990 2.881 2.723 3.163 . 0 0 "[ . 1]" 1
281 2 8 DC H2' 2 9 DG H8 4.280 2.310 4.780 2.545 2.391 2.737 . 0 0 "[ . 1]" 1
282 2 9 DG H2' 2 9 DG H8 2.970 . 3.470 2.273 2.184 2.400 . 0 0 "[ . 1]" 1
283 2 10 DC H2' 2 10 DC H6 4.950 . 5.450 2.615 2.265 2.939 . 0 0 "[ . 1]" 1
284 2 11 DA H2' 2 11 DA H8 6.440 2.090 6.940 2.790 2.170 3.378 . 0 0 "[ . 1]" 1
285 2 12 DC H2' 2 12 DC H6 3.130 2.090 3.630 2.792 2.461 3.031 . 0 0 "[ . 1]" 1
286 1 3 DG H2' 1 3 DG H8 3.230 . 3.730 2.321 2.207 2.411 . 0 0 "[ . 1]" 1
287 1 4 DC H2' 1 4 DC H6 5.560 2.030 6.060 2.577 2.443 2.687 . 0 0 "[ . 1]" 1
288 1 5 DG H2' 1 5 DG H8 6.100 . 6.600 2.294 2.233 2.409 . 0 0 "[ . 1]" 1
289 1 7 DG H2' 1 7 DG H8 3.020 . 3.520 2.686 2.450 2.883 . 0 0 "[ . 1]" 1
290 1 8 DT H2' 1 8 DT H6 6.550 2.010 7.050 3.536 3.205 3.801 . 0 0 "[ . 1]" 1
291 1 8 DT H2' 1 9 DT H6 3.460 2.030 3.960 2.373 2.289 2.542 . 0 0 "[ . 1]" 1
292 1 8 DT H2' 1 9 DT M7 6.080 2.930 6.580 2.671 2.395 2.836 0.535 5 1 "[ + 1]" 1
293 1 9 DT H2' 1 10 DT H6 4.280 2.050 4.780 3.076 2.975 3.136 . 0 0 "[ . 1]" 1
294 1 9 DT H2' 1 10 DT M7 5.190 . 5.690 2.530 2.285 2.646 . 0 0 "[ . 1]" 1
295 1 10 DT H2'' 1 10 DT H6 5.670 . 6.170 4.075 3.790 4.281 . 0 0 "[ . 1]" 1
296 1 10 DT H2'' 1 11 DG H8 3.840 2.380 4.340 2.694 2.337 3.206 0.043 4 0 "[ . 1]" 1
297 1 11 DG H2'' 1 12 DT H6 4.420 2.580 4.920 3.170 2.505 4.117 0.075 6 0 "[ . 1]" 1
298 1 11 DG H2'' 1 11 DG H8 4.390 . 4.890 4.004 3.484 4.421 . 0 0 "[ . 1]" 1
299 1 11 DG H2'' 1 12 DT M7 6.930 3.470 7.430 3.795 2.783 4.897 0.687 7 1 "[ . + 1]" 1
300 2 2 DC H2'' 2 2 DC H6 4.780 . 5.280 4.024 3.794 4.200 . 0 0 "[ . 1]" 1
301 2 3 DA H2'' 2 4 DA H8 5.250 2.420 5.750 2.403 2.314 2.527 0.106 4 0 "[ . 1]" 1
302 2 4 DA H2'' 2 4 DA H8 5.040 2.020 5.540 3.774 3.590 4.221 . 0 0 "[ . 1]" 1
303 2 4 DA H2'' 2 5 DA H8 3.230 . 3.730 2.555 2.372 2.867 . 0 0 "[ . 1]" 1
304 2 5 DA H2'' 2 5 DA H8 4.720 . 5.220 3.463 3.236 3.594 . 0 0 "[ . 1]" 1
305 2 7 DA H2'' 2 7 DA H8 4.310 . 4.810 3.653 3.472 3.781 . 0 0 "[ . 1]" 1
306 2 8 DC H2'' 2 8 DC H6 4.420 . 4.920 4.143 4.059 4.263 . 0 0 "[ . 1]" 1
307 2 8 DC H2'' 2 9 DG H8 4.310 2.170 4.810 3.083 2.798 3.557 . 0 0 "[ . 1]" 1
308 2 9 DG H2'' 2 9 DG H8 5.440 2.320 5.940 3.631 3.539 3.774 . 0 0 "[ . 1]" 1
309 2 12 DC H2'' 2 12 DC H6 5.460 2.280 5.960 4.027 3.841 4.142 . 0 0 "[ . 1]" 1
310 1 3 DG H2'' 1 3 DG H8 6.380 2.090 6.880 3.680 3.571 3.781 . 0 0 "[ . 1]" 1
311 1 4 DC H2'' 1 5 DG H8 3.530 2.410 4.030 2.394 2.278 2.555 0.132 10 0 "[ . 1]" 1
312 1 7 DG H2'' 1 8 DT H6 4.220 . 4.720 2.505 2.412 2.569 . 0 0 "[ . 1]" 1
313 1 7 DG H2'' 1 8 DT M7 5.390 2.320 5.890 3.156 3.055 3.353 . 0 0 "[ . 1]" 1
314 1 8 DT H2'' 1 9 DT M7 8.630 2.870 9.130 4.015 3.530 4.211 . 0 0 "[ . 1]" 1
315 1 9 DT H2'' 1 10 DT H6 5.480 . 5.980 2.213 2.160 2.277 . 0 0 "[ . 1]" 1
316 1 9 DT H2'' 1 9 DT H6 5.930 . 6.430 3.677 3.622 3.777 . 0 0 "[ . 1]" 1
317 1 9 DT H2'' 1 10 DT M7 6.920 3.410 7.420 3.031 2.930 3.172 0.480 1 0 "[ . 1]" 1
318 1 10 DT H3' 1 10 DT H6 6.650 2.230 7.150 3.546 3.134 3.874 . 0 0 "[ . 1]" 1
319 1 8 DT H3' 1 9 DT H6 6.590 . 7.090 3.744 3.520 4.000 . 0 0 "[ . 1]" 1
320 1 9 DT H3' 1 10 DT H6 4.580 . 5.080 4.666 4.541 4.798 . 0 0 "[ . 1]" 1
321 1 9 DT H3' 1 9 DT H6 5.440 2.080 5.940 4.050 3.883 4.191 . 0 0 "[ . 1]" 1
322 2 8 DC H5 2 8 DC H6 2.690 . 3.190 2.430 2.425 2.439 . 0 0 "[ . 1]" 1
323 2 10 DC H5 2 10 DC H6 2.730 . 3.230 2.435 2.427 2.451 . 0 0 "[ . 1]" 1
324 2 12 DC H5 2 12 DC H6 2.820 . 3.320 2.426 2.406 2.443 . 0 0 "[ . 1]" 1
325 1 4 DC H5 1 4 DC H6 3.030 . 3.530 2.432 2.418 2.440 . 0 0 "[ . 1]" 1
326 1 10 DT H6 1 10 DT M7 4.590 2.280 5.090 2.231 2.214 2.273 0.066 5 0 "[ . 1]" 1
327 1 12 DT H6 1 12 DT M7 4.740 2.220 5.240 2.223 2.210 2.243 0.010 5 0 "[ . 1]" 1
328 1 2 DT H6 1 2 DT M7 4.490 2.280 4.990 2.229 2.205 2.247 0.075 9 0 "[ . 1]" 1
329 1 8 DT H6 1 8 DT M7 4.420 2.230 4.920 2.229 2.212 2.245 0.018 6 0 "[ . 1]" 1
330 1 8 DT H6 1 9 DT M7 8.180 2.860 8.680 3.264 3.146 3.389 . 0 0 "[ . 1]" 1
331 1 9 DT H6 1 9 DT M7 4.230 2.170 4.730 2.220 2.214 2.226 . 0 0 "[ . 1]" 1
332 1 1 DG H1' 1 2 DT H5' 3.460 . 3.960 2.995 2.785 3.216 . 0 0 "[ . 1]" 1
333 2 9 DG H1' 2 10 DC H5' 3.490 . 3.990 3.248 3.125 3.458 . 0 0 "[ . 1]" 1
334 1 1 DG H3' 1 1 DG H5'' 4.010 . 4.510 2.586 2.485 2.842 . 0 0 "[ . 1]" 1
335 2 7 DA H3' 2 8 DC H6 5.350 2.250 5.850 5.017 4.899 5.077 . 0 0 "[ . 1]" 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 40
_Distance_constraint_stats_list.Viol_count 2
_Distance_constraint_stats_list.Viol_total 0.220
_Distance_constraint_stats_list.Viol_max 0.017
_Distance_constraint_stats_list.Viol_rms 0.0009
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0110
_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 DG 0.000 0.000 . 0 "[ . 1]"
1 2 DT 0.000 0.000 . 0 "[ . 1]"
1 3 DG 0.000 0.000 . 0 "[ . 1]"
1 4 DC 0.000 0.000 . 0 "[ . 1]"
1 7 DG 0.000 0.000 . 0 "[ . 1]"
1 8 DT 0.000 0.000 . 0 "[ . 1]"
1 9 DT 0.022 0.017 2 0 "[ . 1]"
1 10 DT 0.000 0.000 . 0 "[ . 1]"
1 11 DG 0.000 0.000 . 0 "[ . 1]"
1 12 DT 0.000 0.000 . 0 "[ . 1]"
2 1 DA 0.000 0.000 . 0 "[ . 1]"
2 2 DC 0.000 0.000 . 0 "[ . 1]"
2 3 DA 0.000 0.000 . 0 "[ . 1]"
2 4 DA 0.022 0.017 2 0 "[ . 1]"
2 5 DA 0.000 0.000 . 0 "[ . 1]"
2 6 DC 0.000 0.000 . 0 "[ . 1]"
2 9 DG 0.000 0.000 . 0 "[ . 1]"
2 10 DC 0.000 0.000 . 0 "[ . 1]"
2 11 DA 0.000 0.000 . 0 "[ . 1]"
2 12 DC 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 DG H1 2 12 DC N3 2.040 . 2.540 1.939 1.906 1.961 . 0 0 "[ . 1]" 2
2 1 1 DG H22 2 12 DC O2 1.950 . 2.450 1.849 1.802 1.893 . 0 0 "[ . 1]" 2
3 1 1 DG N1 2 12 DC N3 3.050 2.850 3.550 2.922 2.884 2.954 . 0 0 "[ . 1]" 2
4 1 1 DG O6 2 12 DC H42 2.000 . 2.500 1.914 1.882 1.972 . 0 0 "[ . 1]" 2
5 1 1 DG O6 2 12 DC N4 3.010 2.810 3.510 2.885 2.843 2.932 . 0 0 "[ . 1]" 2
6 1 2 DT H3 2 11 DA N1 1.910 . 2.410 1.917 1.871 1.971 . 0 0 "[ . 1]" 2
7 1 2 DT N3 2 11 DA N1 2.920 2.720 3.420 2.913 2.868 2.962 . 0 0 "[ . 1]" 2
8 1 2 DT O4 2 11 DA H61 2.040 . 2.540 1.934 1.855 2.055 . 0 0 "[ . 1]" 2
9 1 3 DG H1 2 10 DC N3 2.040 . 2.540 1.930 1.914 1.946 . 0 0 "[ . 1]" 2
10 1 3 DG H22 2 10 DC O2 1.950 . 2.450 1.842 1.795 1.889 . 0 0 "[ . 1]" 2
11 1 3 DG N1 2 10 DC N3 3.050 2.850 3.550 2.926 2.912 2.938 . 0 0 "[ . 1]" 2
12 1 3 DG O6 2 10 DC H42 2.000 . 2.500 1.919 1.888 1.976 . 0 0 "[ . 1]" 2
13 1 3 DG O6 2 10 DC N4 3.010 2.810 3.510 2.909 2.877 2.960 . 0 0 "[ . 1]" 2
14 1 4 DC H42 2 9 DG O6 2.000 . 2.500 1.898 1.879 1.919 . 0 0 "[ . 1]" 2
15 1 4 DC N3 2 9 DG H1 2.040 . 2.540 1.932 1.909 1.948 . 0 0 "[ . 1]" 2
16 1 4 DC N3 2 9 DG N1 3.050 2.850 3.550 2.928 2.905 2.946 . 0 0 "[ . 1]" 2
17 1 4 DC N4 2 9 DG O6 3.010 2.810 3.510 2.880 2.861 2.896 . 0 0 "[ . 1]" 2
18 1 4 DC O2 2 9 DG H22 1.950 . 2.450 1.851 1.821 1.890 . 0 0 "[ . 1]" 2
19 1 7 DG H1 2 6 DC N3 2.040 . 2.540 1.919 1.888 1.948 . 0 0 "[ . 1]" 2
20 1 7 DG H22 2 6 DC O2 1.950 . 2.450 1.869 1.855 1.881 . 0 0 "[ . 1]" 2
21 1 7 DG N1 2 6 DC N3 3.050 2.850 3.550 2.892 2.869 2.918 . 0 0 "[ . 1]" 2
22 1 7 DG O6 2 6 DC H42 2.000 . 2.500 1.902 1.847 1.948 . 0 0 "[ . 1]" 2
23 1 7 DG O6 2 6 DC N4 3.010 2.810 3.510 2.890 2.838 2.931 . 0 0 "[ . 1]" 2
24 1 8 DT H3 2 5 DA N1 1.910 . 2.410 1.923 1.893 1.950 . 0 0 "[ . 1]" 2
25 1 8 DT N3 2 5 DA N1 2.920 2.720 3.420 2.912 2.886 2.940 . 0 0 "[ . 1]" 2
26 1 8 DT O4 2 5 DA H61 2.040 . 2.540 1.964 1.872 2.066 . 0 0 "[ . 1]" 2
27 1 9 DT H3 2 4 DA N1 1.910 . 2.410 1.939 1.909 1.997 . 0 0 "[ . 1]" 2
28 1 9 DT N3 2 4 DA N1 2.920 2.720 3.420 2.931 2.894 2.989 . 0 0 "[ . 1]" 2
29 1 9 DT O4 2 4 DA H61 2.040 . 2.540 1.869 1.823 1.910 0.017 2 0 "[ . 1]" 2
30 1 10 DT H3 2 3 DA N1 1.910 . 2.410 1.902 1.860 1.943 . 0 0 "[ . 1]" 2
31 1 10 DT N3 2 3 DA N1 2.920 2.720 3.420 2.893 2.849 2.933 . 0 0 "[ . 1]" 2
32 1 10 DT O4 2 3 DA H61 2.040 . 2.540 2.012 1.947 2.112 . 0 0 "[ . 1]" 2
33 1 11 DG H1 2 2 DC N3 2.040 . 2.540 1.899 1.874 1.930 . 0 0 "[ . 1]" 2
34 1 11 DG H22 2 2 DC O2 1.950 . 2.450 1.806 1.780 1.832 . 0 0 "[ . 1]" 2
35 1 11 DG N1 2 2 DC N3 3.050 2.850 3.550 2.889 2.866 2.923 . 0 0 "[ . 1]" 2
36 1 11 DG O6 2 2 DC H42 2.000 . 2.500 1.928 1.858 1.981 . 0 0 "[ . 1]" 2
37 1 11 DG O6 2 2 DC N4 3.010 2.810 3.510 2.920 2.846 2.976 . 0 0 "[ . 1]" 2
38 1 12 DT H3 2 1 DA N1 1.910 . 2.410 1.964 1.906 2.036 . 0 0 "[ . 1]" 2
39 1 12 DT N3 2 1 DA N1 2.920 2.720 3.420 2.955 2.900 3.027 . 0 0 "[ . 1]" 2
40 1 12 DT O4 2 1 DA H61 2.040 . 2.540 1.902 1.862 2.000 . 0 0 "[ . 1]" 2
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