NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
583538 |
2mkm   |
19784 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mkm
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 298
_Distance_constraint_stats_list.Viol_count 148
_Distance_constraint_stats_list.Viol_total 130.919
_Distance_constraint_stats_list.Viol_max 0.301
_Distance_constraint_stats_list.Viol_rms 0.0245
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0044
_Distance_constraint_stats_list.Viol_average_violations_only 0.0885
_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 3.875 0.202 5 0 "[ . 1]"
1 2 DG 3.151 0.268 9 0 "[ . 1]"
1 3 DT 1.949 0.268 9 0 "[ . 1]"
1 4 DT 3.210 0.301 6 0 "[ . 1]"
1 5 DG 5.298 0.301 6 0 "[ . 1]"
1 6 DG 0.879 0.133 6 0 "[ . 1]"
1 7 DT 0.095 0.039 7 0 "[ . 1]"
1 8 DG 1.730 0.202 5 0 "[ . 1]"
1 9 DT 1.946 0.208 7 0 "[ . 1]"
1 10 DG 1.313 0.206 2 0 "[ . 1]"
1 11 DG 0.582 0.164 3 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 4 DT H1' 1 4 DT H3' 4.490 . 5.490 3.846 3.756 3.880 . 0 0 "[ . 1]" 1
2 1 4 DT H1' 1 4 DT H2' 3.510 . 4.510 2.997 2.984 3.036 . 0 0 "[ . 1]" 1
3 1 4 DT H1' 1 4 DT H2'' 3.970 . 4.970 2.279 2.256 2.317 . 0 0 "[ . 1]" 1
4 1 4 DT H2'' 1 4 DT H3' 3.730 . 4.730 2.746 2.703 2.760 . 0 0 "[ . 1]" 1
5 1 4 DT H2'' 1 4 DT H6 3.210 . 4.210 3.615 3.230 4.127 . 0 0 "[ . 1]" 1
6 1 4 DT H2' 1 4 DT H3' 4.140 . 5.140 2.234 2.205 2.316 . 0 0 "[ . 1]" 1
7 1 4 DT H2' 1 4 DT M7 4.750 . 5.750 3.794 3.627 4.242 . 0 0 "[ . 1]" 1
8 1 4 DT H2' 1 4 DT H6 3.240 . 4.240 2.180 2.028 2.736 . 0 0 "[ . 1]" 1
9 1 4 DT H3' 1 4 DT H4' 3.800 . 4.800 2.730 2.693 2.783 . 0 0 "[ . 1]" 1
10 1 4 DT H3' 1 4 DT H5'' 3.920 . 4.920 2.380 2.209 2.564 . 0 0 "[ . 1]" 1
11 1 4 DT H3' 1 4 DT H5' 4.360 . 5.360 3.558 3.488 3.677 . 0 0 "[ . 1]" 1
12 1 4 DT H5' 1 4 DT H5'' 3.680 . 4.680 1.757 1.741 1.769 . 0 0 "[ . 1]" 1
13 1 4 DT H5' 1 5 DG H8 4.590 . 5.590 5.716 5.640 5.801 0.211 8 0 "[ . 1]" 1
14 1 4 DT H5'' 1 4 DT H6 5.670 . 6.670 4.245 4.085 4.858 . 0 0 "[ . 1]" 1
15 1 4 DT H4' 1 5 DG H8 5.210 . 6.210 4.683 4.213 5.295 . 0 0 "[ . 1]" 1
16 1 8 DG H1' 1 8 DG H2'' 3.590 . 4.590 2.350 2.263 2.438 . 0 0 "[ . 1]" 1
17 1 8 DG H1' 1 8 DG H2' 4.060 . 5.060 3.028 3.002 3.062 . 0 0 "[ . 1]" 1
18 1 8 DG H1' 1 9 DT H6 4.510 . 5.510 2.808 2.481 3.475 . 0 0 "[ . 1]" 1
19 1 8 DG H1' 1 9 DT M7 3.270 . 4.270 2.589 2.140 3.240 . 0 0 "[ . 1]" 1
20 1 8 DG H2' 1 8 DG H5' 5.460 . 6.460 4.069 3.774 4.340 . 0 0 "[ . 1]" 1
21 1 8 DG H2' 1 8 DG H5'' 5.530 . 6.530 4.053 3.844 4.293 . 0 0 "[ . 1]" 1
22 1 8 DG H2' 1 8 DG H4' 4.620 . 5.620 3.805 3.723 3.885 . 0 0 "[ . 1]" 1
23 1 8 DG H2' 1 8 DG H2'' 3.190 . 4.190 1.779 1.755 1.794 . 0 0 "[ . 1]" 1
24 1 8 DG H2' 1 8 DG H8 2.920 . 3.920 2.085 1.985 2.199 . 0 0 "[ . 1]" 1
25 1 8 DG H2' 1 9 DT M7 4.970 . 5.970 4.275 3.355 5.204 . 0 0 "[ . 1]" 1
26 1 8 DG H2'' 1 8 DG H5'' 5.240 . 6.240 4.960 4.885 5.038 . 0 0 "[ . 1]" 1
27 1 8 DG H2'' 1 8 DG H4' 3.810 . 4.810 3.981 3.868 4.087 . 0 0 "[ . 1]" 1
28 1 8 DG H2'' 1 9 DT H6 4.440 . 5.440 4.283 3.429 4.991 . 0 0 "[ . 1]" 1
29 1 8 DG H3' 1 8 DG H8 5.590 . 6.590 4.186 3.647 4.572 . 0 0 "[ . 1]" 1
30 1 1 DG H4' 1 1 DG H5'' 3.480 . 4.480 2.378 2.317 2.400 . 0 0 "[ . 1]" 1
31 1 1 DG H4' 1 1 DG H5' 3.180 . 4.180 2.489 2.450 2.548 . 0 0 "[ . 1]" 1
32 1 1 DG H2'' 1 1 DG H4' 4.640 . 5.640 4.050 3.964 4.099 . 0 0 "[ . 1]" 1
33 1 1 DG H2' 1 1 DG H4' 4.530 . 5.530 3.820 3.769 3.893 . 0 0 "[ . 1]" 1
34 1 1 DG H3' 1 1 DG H4' 3.430 . 4.430 2.799 2.748 2.870 . 0 0 "[ . 1]" 1
35 1 1 DG H2'' 1 1 DG H5' 5.350 . 6.350 5.159 5.099 5.221 . 0 0 "[ . 1]" 1
36 1 1 DG H3' 1 1 DG H5' 3.620 . 4.620 3.678 3.585 3.751 . 0 0 "[ . 1]" 1
37 1 1 DG H5' 1 2 DG H8 5.560 . 6.560 6.184 5.640 6.595 0.035 10 0 "[ . 1]" 1
38 1 8 DG H4' 1 8 DG H8 5.030 . 6.030 5.250 4.804 5.466 . 0 0 "[ . 1]" 1
39 1 8 DG H4' 1 9 DT H6 4.520 . 5.520 4.629 3.855 5.207 . 0 0 "[ . 1]" 1
40 1 8 DG H5'' 1 8 DG H8 5.100 . 6.100 5.463 4.808 5.913 . 0 0 "[ . 1]" 1
41 1 1 DG H3' 1 1 DG H5'' 4.370 . 5.370 2.655 2.611 2.722 . 0 0 "[ . 1]" 1
42 1 3 DT Q2' 1 3 DT H5'' 5.160 . 5.600 3.854 3.736 3.985 . 0 0 "[ . 1]" 1
43 1 3 DT Q2' 1 3 DT H3' 3.780 . 4.590 2.217 2.137 2.266 . 0 0 "[ . 1]" 1
44 1 3 DT Q2' 1 4 DT H6 4.290 . 5.290 4.761 4.494 4.993 . 0 0 "[ . 1]" 1
45 1 3 DT Q2' 1 3 DT H6 3.870 . 4.870 2.176 2.034 2.370 . 0 0 "[ . 1]" 1
46 1 3 DT H2' 1 3 DT H2'' 3.270 . 4.270 1.788 1.774 1.797 . 0 0 "[ . 1]" 1
47 1 11 DG H1' 1 11 DG H4' 4.460 . 5.460 3.012 2.853 3.189 . 0 0 "[ . 1]" 1
48 1 11 DG H1' 1 11 DG H3' 5.240 . 6.240 3.879 3.831 3.943 . 0 0 "[ . 1]" 1
49 1 11 DG H1' 1 11 DG H2'' 4.600 . 5.600 2.280 2.261 2.305 . 0 0 "[ . 1]" 1
50 1 11 DG H1' 1 11 DG H2' 3.700 . 4.700 2.857 2.804 2.961 . 0 0 "[ . 1]" 1
51 1 11 DG H1' 1 11 DG H8 4.760 . 5.760 3.891 3.823 3.954 . 0 0 "[ . 1]" 1
52 1 11 DG H2' 1 11 DG H5'' 4.020 . 5.020 4.973 4.782 5.035 0.015 2 0 "[ . 1]" 1
53 1 11 DG H2' 1 11 DG H4' 4.480 . 5.480 3.743 3.566 3.866 . 0 0 "[ . 1]" 1
54 1 11 DG H2' 1 11 DG H2'' 3.550 . 4.550 1.785 1.780 1.788 . 0 0 "[ . 1]" 1
55 1 11 DG H2' 1 11 DG H8 4.180 . 5.180 2.669 2.352 3.009 . 0 0 "[ . 1]" 1
56 1 11 DG H2'' 1 11 DG H5'' 4.340 . 5.340 4.591 4.363 4.835 . 0 0 "[ . 1]" 1
57 1 11 DG H2'' 1 11 DG H4' 5.210 . 6.210 2.735 2.422 3.164 . 0 0 "[ . 1]" 1
58 1 11 DG H2'' 1 11 DG H8 3.560 . 4.560 4.085 3.858 4.288 . 0 0 "[ . 1]" 1
59 1 6 DG H1' 1 6 DG H4' 3.620 . 4.620 3.131 3.014 3.231 . 0 0 "[ . 1]" 1
60 1 6 DG H1' 1 6 DG H3' 5.040 . 6.040 3.825 3.663 3.902 . 0 0 "[ . 1]" 1
61 1 6 DG H1' 1 6 DG H2'' 3.460 . 4.460 2.371 2.339 2.472 . 0 0 "[ . 1]" 1
62 1 6 DG H1' 1 6 DG H2' 3.840 . 4.840 3.045 3.035 3.072 . 0 0 "[ . 1]" 1
63 1 6 DG H1' 1 6 DG H8 4.100 . 5.100 3.759 3.525 3.838 . 0 0 "[ . 1]" 1
64 1 6 DG H1' 1 7 DT M7 5.110 . 6.110 3.915 3.429 4.292 . 0 0 "[ . 1]" 1
65 1 10 DG H8 1 11 DG H4' 4.810 . 5.810 4.050 3.672 4.324 . 0 0 "[ . 1]" 1
66 1 11 DG H5' 1 11 DG H8 5.190 . 6.190 4.979 4.623 5.507 . 0 0 "[ . 1]" 1
67 1 10 DG H1' 1 11 DG H5' 4.170 . 5.170 3.013 2.751 3.565 . 0 0 "[ . 1]" 1
68 1 8 DG H5'' 1 10 DG H8 5.150 . 6.150 5.878 4.996 6.234 0.084 5 0 "[ . 1]" 1
69 1 11 DG H5'' 1 11 DG H8 4.100 . 5.100 5.073 4.772 5.264 0.164 3 0 "[ . 1]" 1
70 1 3 DT H4' 1 3 DT H5'' 3.790 . 4.790 2.316 2.195 2.452 . 0 0 "[ . 1]" 1
71 1 3 DT Q2' 1 3 DT H4' 5.190 . 6.190 3.489 3.420 3.550 . 0 0 "[ . 1]" 1
72 1 3 DT H4' 1 3 DT H6 4.800 . 5.800 4.501 4.303 4.661 . 0 0 "[ . 1]" 1
73 1 4 DT H6 1 4 DT M7 3.010 . 4.010 2.234 2.215 2.253 . 0 0 "[ . 1]" 1
74 1 3 DT H6 1 4 DT M7 4.330 . 5.330 5.228 4.936 5.379 0.049 10 0 "[ . 1]" 1
75 1 7 DT H6 1 8 DG H8 5.690 . 5.700 4.517 4.130 4.976 . 0 0 "[ . 1]" 1
76 1 6 DG H8 1 7 DT H6 4.700 . 5.700 4.237 3.916 4.610 . 0 0 "[ . 1]" 1
77 1 7 DT H5' 1 7 DT H6 5.480 . 6.480 4.482 3.872 4.912 . 0 0 "[ . 1]" 1
78 1 7 DT H4' 1 7 DT H6 5.480 . 6.480 4.841 4.640 5.057 . 0 0 "[ . 1]" 1
79 1 7 DT H5'' 1 7 DT H6 4.950 . 5.950 5.064 4.745 5.517 . 0 0 "[ . 1]" 1
80 1 7 DT H3' 1 7 DT H6 4.130 . 5.130 4.046 3.621 4.553 . 0 0 "[ . 1]" 1
81 1 7 DT H1' 1 7 DT H6 4.560 . 5.560 3.728 3.683 3.765 . 0 0 "[ . 1]" 1
82 1 7 DT H6 1 7 DT M7 3.040 . 4.040 2.264 2.226 2.320 . 0 0 "[ . 1]" 1
83 1 7 DT H2' 1 7 DT H6 3.800 . 4.800 2.147 2.068 2.248 . 0 0 "[ . 1]" 1
84 1 7 DT H2'' 1 7 DT H6 4.040 . 5.040 3.498 3.307 3.644 . 0 0 "[ . 1]" 1
85 1 6 DG H2' 1 7 DT H6 3.970 . 4.970 3.801 3.311 4.333 . 0 0 "[ . 1]" 1
86 1 6 DG H3' 1 7 DT H6 5.770 . 6.770 5.072 4.630 5.315 . 0 0 "[ . 1]" 1
87 1 6 DG H2'' 1 7 DT H6 3.430 . 4.430 2.447 2.250 2.795 . 0 0 "[ . 1]" 1
88 1 6 DG H2' 1 7 DT M7 4.330 . 5.330 2.984 2.588 3.441 . 0 0 "[ . 1]" 1
89 1 6 DG H8 1 7 DT M7 3.530 . 4.530 2.580 2.321 2.790 . 0 0 "[ . 1]" 1
90 1 1 DG H2'' 1 1 DG H3' 3.350 . 4.350 2.717 2.687 2.767 . 0 0 "[ . 1]" 1
91 1 1 DG H2'' 1 2 DG H8 3.580 . 4.580 2.535 2.182 2.960 . 0 0 "[ . 1]" 1
92 1 1 DG H2' 1 1 DG H2'' 3.200 . 4.200 1.775 1.747 1.790 . 0 0 "[ . 1]" 1
93 1 1 DG H1' 1 1 DG H2'' 4.190 . 5.190 2.334 2.279 2.387 . 0 0 "[ . 1]" 1
94 1 6 DG H5' 1 6 DG H8 5.350 . 6.350 5.213 4.670 5.891 . 0 0 "[ . 1]" 1
95 1 6 DG H3' 1 6 DG H8 5.090 . 6.090 4.228 3.942 4.635 . 0 0 "[ . 1]" 1
96 1 6 DG H2' 1 6 DG H8 3.260 . 4.260 2.149 2.017 2.374 . 0 0 "[ . 1]" 1
97 1 5 DG H2'' 1 6 DG H8 3.450 . 4.450 3.183 2.779 3.648 . 0 0 "[ . 1]" 1
98 1 5 DG H8 1 6 DG H8 5.190 . 6.190 5.809 5.158 6.205 0.015 2 0 "[ . 1]" 1
99 1 5 DG H3' 1 6 DG H8 4.760 . 5.760 5.748 5.392 5.893 0.133 6 0 "[ . 1]" 1
100 1 5 DG H2' 1 6 DG H8 4.030 . 5.030 4.534 4.141 5.078 0.048 8 0 "[ . 1]" 1
101 1 7 DT H3' 1 8 DG H8 4.170 . 5.170 4.894 4.464 5.209 0.039 7 0 "[ . 1]" 1
102 1 7 DT H2'' 1 8 DG H8 4.450 . 5.450 2.424 2.067 2.800 . 0 0 "[ . 1]" 1
103 1 8 DG H8 1 9 DT M7 4.930 . 5.930 4.497 3.707 5.638 . 0 0 "[ . 1]" 1
104 1 7 DT H2'' 1 7 DT H4' 4.350 . 5.350 3.904 3.763 4.084 . 0 0 "[ . 1]" 1
105 1 7 DT H2'' 1 7 DT H5'' 4.660 . 5.660 4.957 4.791 5.120 . 0 0 "[ . 1]" 1
106 1 7 DT H2'' 1 7 DT H3' 3.830 . 4.830 2.736 2.691 2.773 . 0 0 "[ . 1]" 1
107 1 7 DT H1' 1 7 DT H2'' 3.890 . 4.890 2.377 2.318 2.421 . 0 0 "[ . 1]" 1
108 1 7 DT H2' 1 7 DT H2'' 3.620 . 4.620 1.785 1.773 1.794 . 0 0 "[ . 1]" 1
109 1 7 DT H2' 1 7 DT H4' 5.100 . 6.100 3.833 3.746 3.906 . 0 0 "[ . 1]" 1
110 1 7 DT H2' 1 7 DT H5'' 5.460 . 6.460 4.149 3.742 4.327 . 0 0 "[ . 1]" 1
111 1 7 DT H2' 1 7 DT H3' 3.910 . 4.910 2.246 2.152 2.423 . 0 0 "[ . 1]" 1
112 1 7 DT H1' 1 7 DT H2' 4.780 . 5.780 3.050 3.041 3.062 . 0 0 "[ . 1]" 1
113 1 7 DT H1' 1 7 DT H5'' 5.270 . 6.270 4.894 4.773 5.017 . 0 0 "[ . 1]" 1
114 1 7 DT H1' 1 7 DT H3' 5.150 . 6.150 3.771 3.569 3.896 . 0 0 "[ . 1]" 1
115 1 9 DT H1' 1 9 DT H6 3.990 . 4.990 3.718 3.667 3.750 . 0 0 "[ . 1]" 1
116 1 9 DT H1' 1 9 DT H4' 5.120 . 6.120 3.241 3.087 3.428 . 0 0 "[ . 1]" 1
117 1 9 DT H1' 1 9 DT H5'' 5.130 . 6.130 4.864 4.752 5.061 . 0 0 "[ . 1]" 1
118 1 9 DT H1' 1 9 DT H3' 4.440 . 5.440 3.830 3.721 3.889 . 0 0 "[ . 1]" 1
119 1 9 DT H1' 1 9 DT H2'' 3.360 . 4.360 2.352 2.258 2.415 . 0 0 "[ . 1]" 1
120 1 9 DT H1' 1 9 DT H2' 3.750 . 4.750 3.053 3.008 3.084 . 0 0 "[ . 1]" 1
121 1 9 DT H4' 1 9 DT H6 5.500 . 6.500 4.380 4.246 4.570 . 0 0 "[ . 1]" 1
122 1 9 DT H5'' 1 9 DT H6 4.440 . 5.440 3.988 3.898 4.135 . 0 0 "[ . 1]" 1
123 1 9 DT H5' 1 9 DT H6 4.300 . 5.300 4.013 2.927 4.237 . 0 0 "[ . 1]" 1
124 1 9 DT H3' 1 9 DT H6 4.410 . 5.410 4.224 4.033 4.500 . 0 0 "[ . 1]" 1
125 1 9 DT H6 1 9 DT M7 2.950 . 3.950 2.191 2.134 2.221 . 0 0 "[ . 1]" 1
126 1 9 DT H2'' 1 9 DT H6 4.090 . 5.090 3.928 3.685 4.085 . 0 0 "[ . 1]" 1
127 1 9 DT H2' 1 9 DT H6 3.550 . 4.550 2.525 2.243 2.747 . 0 0 "[ . 1]" 1
128 1 9 DT H5'' 1 9 DT M7 4.130 . 5.130 5.221 5.168 5.338 0.208 7 0 "[ . 1]" 1
129 1 10 DG H2' 1 10 DG H8 5.700 . 6.700 3.972 3.547 4.567 . 0 0 "[ . 1]" 1
130 1 10 DG H2'' 1 10 DG H8 5.260 . 6.260 2.959 2.441 3.912 . 0 0 "[ . 1]" 1
131 1 10 DG H1' 1 10 DG H8 3.580 . 4.580 2.548 2.448 2.659 . 0 0 "[ . 1]" 1
132 1 10 DG H1' 1 11 DG H8 4.990 . 5.990 5.218 4.485 6.012 0.022 3 0 "[ . 1]" 1
133 1 10 DG H1' 1 10 DG H4' 4.400 . 5.400 2.826 2.723 2.940 . 0 0 "[ . 1]" 1
134 1 10 DG H1' 1 10 DG H3' 4.870 . 5.870 3.610 3.512 3.749 . 0 0 "[ . 1]" 1
135 1 10 DG H1' 1 10 DG H2' 4.350 . 5.350 3.022 3.013 3.033 . 0 0 "[ . 1]" 1
136 1 10 DG H1' 1 10 DG H2'' 3.920 . 4.920 2.418 2.388 2.458 . 0 0 "[ . 1]" 1
137 1 10 DG H2'' 1 10 DG H5' 4.900 . 5.900 5.233 5.186 5.319 . 0 0 "[ . 1]" 1
138 1 10 DG H2'' 1 10 DG H4' 4.960 . 5.960 3.995 3.902 4.072 . 0 0 "[ . 1]" 1
139 1 9 DT H2'' 1 9 DT H3' 3.450 . 4.450 2.722 2.687 2.745 . 0 0 "[ . 1]" 1
140 1 9 DT H2' 1 9 DT H2'' 3.100 . 4.100 1.798 1.789 1.806 . 0 0 "[ . 1]" 1
141 1 10 DG H2' 1 10 DG H5' 4.360 . 5.360 4.089 3.967 4.332 . 0 0 "[ . 1]" 1
142 1 10 DG H2' 1 10 DG H4' 4.560 . 5.560 3.770 3.728 3.815 . 0 0 "[ . 1]" 1
143 1 10 DG H2' 1 10 DG H3' 4.190 . 5.190 2.384 2.261 2.455 . 0 0 "[ . 1]" 1
144 1 10 DG H2' 1 11 DG H8 4.400 . 5.400 4.526 3.880 5.346 . 0 0 "[ . 1]" 1
145 1 10 DG H4' 1 10 DG H5' 3.000 . 4.000 2.506 2.468 2.564 . 0 0 "[ . 1]" 1
146 1 1 DG H8 1 2 DG H8 5.100 . 6.100 5.432 5.095 5.936 . 0 0 "[ . 1]" 1
147 1 1 DG H1' 1 1 DG H8 2.940 . 3.940 2.450 2.387 2.520 . 0 0 "[ . 1]" 1
148 1 1 DG H8 1 2 DG H1' 4.710 . 5.710 5.551 5.350 5.755 0.045 2 0 "[ . 1]" 1
149 1 1 DG H8 1 2 DG H5'' 4.500 . 5.500 5.578 5.387 5.675 0.175 4 0 "[ . 1]" 1
150 1 1 DG H1' 1 2 DG H8 4.630 . 5.630 4.602 4.027 5.077 . 0 0 "[ . 1]" 1
151 1 1 DG H1' 1 1 DG H3' 4.760 . 5.760 3.843 3.779 3.929 . 0 0 "[ . 1]" 1
152 1 1 DG H1' 1 1 DG H2' 3.710 . 4.710 2.998 2.949 3.031 . 0 0 "[ . 1]" 1
153 1 1 DG H1' 1 2 DG H5'' 3.960 . 4.960 4.415 4.110 4.680 . 0 0 "[ . 1]" 1
154 1 1 DG H1' 1 2 DG H5' 4.490 . 5.490 2.814 2.496 3.103 . 0 0 "[ . 1]" 1
155 1 1 DG H2' 1 1 DG H3' 3.550 . 4.550 2.307 2.180 2.386 . 0 0 "[ . 1]" 1
156 1 1 DG H2' 1 2 DG H8 3.300 . 4.300 2.306 2.104 2.610 . 0 0 "[ . 1]" 1
157 1 1 DG H3' 1 2 DG H8 4.230 . 5.230 3.676 3.325 3.939 . 0 0 "[ . 1]" 1
158 1 5 DG H2' 1 5 DG H4' 3.940 . 4.940 3.789 3.722 3.867 . 0 0 "[ . 1]" 1
159 1 5 DG H2' 1 5 DG H5' 4.430 . 5.430 4.032 3.774 4.511 . 0 0 "[ . 1]" 1
160 1 5 DG H2' 1 5 DG H2'' 3.250 . 4.250 1.786 1.776 1.792 . 0 0 "[ . 1]" 1
161 1 5 DG H1' 1 5 DG H2' 4.040 . 5.040 3.030 3.013 3.044 . 0 0 "[ . 1]" 1
162 1 5 DG H2' 1 5 DG H8 4.940 . 5.940 4.628 4.311 4.762 . 0 0 "[ . 1]" 1
163 1 5 DG H5' 1 5 DG H8 5.120 . 6.120 5.894 4.359 6.341 0.221 3 0 "[ . 1]" 1
164 1 5 DG H1' 1 5 DG H8 2.790 . 3.790 2.800 2.607 3.179 . 0 0 "[ . 1]" 1
165 1 5 DG H8 1 6 DG H4' 4.520 . 5.520 5.187 4.381 5.502 . 0 0 "[ . 1]" 1
166 1 5 DG H1' 1 5 DG H5' 4.120 . 5.120 4.979 4.716 5.117 . 0 0 "[ . 1]" 1
167 1 5 DG H1' 1 5 DG H3' 4.570 . 5.570 3.857 3.780 3.962 . 0 0 "[ . 1]" 1
168 1 5 DG H1' 1 5 DG H2'' 3.480 . 4.480 2.354 2.298 2.384 . 0 0 "[ . 1]" 1
169 1 5 DG H2'' 1 5 DG H4' 4.440 . 5.440 3.989 3.919 4.148 . 0 0 "[ . 1]" 1
170 1 5 DG H2'' 1 5 DG H5' 4.680 . 5.680 5.019 4.811 5.323 . 0 0 "[ . 1]" 1
171 1 2 DG H5'' 1 2 DG H8 5.200 . 6.200 5.667 5.471 5.851 . 0 0 "[ . 1]" 1
172 1 2 DG H2' 1 2 DG H8 3.120 . 4.120 2.151 2.058 2.252 . 0 0 "[ . 1]" 1
173 1 2 DG H1' 1 2 DG H8 4.340 . 5.340 3.814 3.720 3.867 . 0 0 "[ . 1]" 1
174 1 5 DG H4' 1 5 DG H5'' 2.850 . 3.850 2.947 2.397 3.039 . 0 0 "[ . 1]" 1
175 1 5 DG H4' 1 5 DG H5' 3.230 . 4.230 2.356 2.159 2.518 . 0 0 "[ . 1]" 1
176 1 3 DT H5'' 1 3 DT H6 4.110 . 5.110 4.290 4.048 4.759 . 0 0 "[ . 1]" 1
177 1 3 DT H3' 1 3 DT H6 4.650 . 5.650 4.023 3.820 4.230 . 0 0 "[ . 1]" 1
178 1 3 DT H6 1 3 DT M7 3.330 . 4.330 2.239 2.191 2.276 . 0 0 "[ . 1]" 1
179 1 3 DT H1' 1 3 DT H6 5.440 . 6.440 3.756 3.724 3.798 . 0 0 "[ . 1]" 1
180 1 2 DG H2' 1 3 DT H6 4.770 . 5.770 5.865 5.336 6.038 0.268 9 0 "[ . 1]" 1
181 1 2 DG H3' 1 3 DT H6 5.720 . 6.720 6.214 5.672 6.515 . 0 0 "[ . 1]" 1
182 1 2 DG H2'' 1 3 DT H6 4.100 . 5.100 4.580 4.323 4.811 . 0 0 "[ . 1]" 1
183 1 2 DG H1' 1 3 DT H6 5.180 . 6.180 3.096 2.319 3.475 . 0 0 "[ . 1]" 1
184 1 6 DG H2' 1 6 DG H4' 4.590 . 5.590 3.861 3.776 3.906 . 0 0 "[ . 1]" 1
185 1 6 DG H2' 1 6 DG H2'' 3.060 . 4.060 1.791 1.786 1.798 . 0 0 "[ . 1]" 1
186 1 6 DG H2'' 1 6 DG H5' 5.620 . 6.620 5.265 5.169 5.333 . 0 0 "[ . 1]" 1
187 1 6 DG H2'' 1 6 DG H4' 4.630 . 5.630 3.938 3.868 4.123 . 0 0 "[ . 1]" 1
188 1 6 DG H4' 1 6 DG H5' 2.790 . 3.790 2.407 2.311 2.443 . 0 0 "[ . 1]" 1
189 1 2 DG H1' 1 2 DG H4' 3.840 . 4.840 3.290 3.090 3.522 . 0 0 "[ . 1]" 1
190 1 2 DG H1' 1 2 DG H3' 4.470 . 5.470 3.802 3.752 3.844 . 0 0 "[ . 1]" 1
191 1 2 DG H1' 1 2 DG H2'' 3.580 . 4.580 2.406 2.318 2.449 . 0 0 "[ . 1]" 1
192 1 2 DG H1' 1 2 DG H2' 4.020 . 5.020 3.035 3.016 3.055 . 0 0 "[ . 1]" 1
193 1 2 DG H2' 1 2 DG H5' 5.030 . 6.030 3.776 3.499 3.963 . 0 0 "[ . 1]" 1
194 1 2 DG H2' 1 2 DG H4' 4.560 . 5.560 3.822 3.750 3.860 . 0 0 "[ . 1]" 1
195 1 2 DG H2' 1 2 DG H2'' 3.110 . 4.110 1.771 1.758 1.791 . 0 0 "[ . 1]" 1
196 1 2 DG H2'' 1 2 DG H4' 4.530 . 5.530 4.077 3.982 4.155 . 0 0 "[ . 1]" 1
197 1 2 DG H4' 1 2 DG H5'' 3.120 . 4.120 2.237 2.178 2.348 . 0 0 "[ . 1]" 1
198 1 2 DG H4' 1 2 DG H5' 3.000 . 4.000 2.652 2.587 2.727 . 0 0 "[ . 1]" 1
199 1 3 DT H5'' 1 3 DT M7 5.620 . 6.620 5.508 5.120 6.079 . 0 0 "[ . 1]" 1
200 1 3 DT H3' 1 3 DT H5'' 3.620 . 4.620 2.818 2.678 3.033 . 0 0 "[ . 1]" 1
201 1 9 DT H2' 1 9 DT H5' 5.270 . 6.270 4.336 3.928 4.519 . 0 0 "[ . 1]" 1
202 1 9 DT H3' 1 9 DT H4' 3.950 . 4.950 2.817 2.759 2.851 . 0 0 "[ . 1]" 1
203 1 9 DT H3' 1 9 DT H5'' 4.160 . 5.160 2.282 2.177 2.791 . 0 0 "[ . 1]" 1
204 1 9 DT H3' 1 9 DT H5' 3.480 . 4.480 3.549 3.490 3.682 . 0 0 "[ . 1]" 1
205 1 9 DT H2' 1 9 DT H3' 3.210 . 4.210 2.355 2.308 2.418 . 0 0 "[ . 1]" 1
206 1 1 DG H1' 1 1 DG H4' 4.600 . 5.600 3.362 3.260 3.453 . 0 0 "[ . 1]" 1
207 1 3 DT H3' 1 4 DT M7 4.140 . 5.140 3.680 2.115 4.158 . 0 0 "[ . 1]" 1
208 1 8 DG H1' 1 8 DG H8 4.290 . 5.290 3.749 3.624 3.855 . 0 0 "[ . 1]" 1
209 1 9 DT H4' 1 10 DG H4' 5.070 . 6.070 4.244 4.007 4.515 . 0 0 "[ . 1]" 1
210 1 5 DG H8 1 6 DG H22 5.500 . 6.500 4.242 3.519 5.125 . 0 0 "[ . 1]" 1
211 1 3 DT H5'' 1 4 DT M7 5.270 . 6.270 3.335 1.921 3.817 . 0 0 "[ . 1]" 1
212 1 3 DT H3' 1 3 DT M7 5.030 . 6.030 5.541 5.297 5.827 . 0 0 "[ . 1]" 1
213 1 4 DT H3' 1 4 DT M7 5.370 . 6.370 5.415 5.228 5.732 . 0 0 "[ . 1]" 1
214 1 1 DG H2' 1 2 DG H5' 4.900 . 5.900 4.337 4.043 4.809 . 0 0 "[ . 1]" 1
215 1 1 DG H2' 1 2 DG H5'' 4.670 . 5.670 5.617 5.437 5.831 0.161 10 0 "[ . 1]" 1
216 1 2 DG H1' 1 3 DT H4' 3.930 . 4.930 4.922 4.771 5.121 0.191 7 0 "[ . 1]" 1
217 1 1 DG H21 1 5 DG H2' 6.500 . 7.500 5.792 5.422 6.426 . 0 0 "[ . 1]" 1
218 1 3 DT Q2' 1 11 DG H21 6.500 . 7.500 7.249 7.148 7.316 . 0 0 "[ . 1]" 1
219 1 5 DG H1 1 5 DG H2'' 6.500 . 7.500 6.568 6.012 6.952 . 0 0 "[ . 1]" 1
220 1 3 DT Q2' 1 11 DG H1 6.500 . 7.500 6.301 6.060 6.506 . 0 0 "[ . 1]" 1
221 1 4 DT H2' 1 4 DT H3 6.500 . 7.500 5.703 5.359 5.977 . 0 0 "[ . 1]" 1
222 1 1 DG H2' 1 5 DG Q2 6.500 . 7.500 3.783 3.442 3.995 . 0 0 "[ . 1]" 1
223 1 1 DG H2' 1 5 DG H1 6.500 . 7.500 5.717 5.485 6.019 . 0 0 "[ . 1]" 1
224 1 1 DG H2' 1 1 DG H21 6.500 . 7.500 5.261 4.998 5.363 . 0 0 "[ . 1]" 1
225 1 1 DG H1 1 1 DG H2' 6.500 . 7.500 5.636 5.424 5.739 . 0 0 "[ . 1]" 1
226 1 1 DG H2'' 1 5 DG Q2 6.500 . 7.500 4.863 4.493 5.181 . 0 0 "[ . 1]" 1
227 1 1 DG H2'' 1 5 DG H1 6.500 . 7.500 6.754 6.477 7.002 . 0 0 "[ . 1]" 1
228 1 1 DG H2'' 1 1 DG H21 6.500 . 7.500 6.941 6.680 7.048 . 0 0 "[ . 1]" 1
229 1 1 DG H5'' 1 8 DG H1 6.500 . 7.500 7.287 6.933 7.576 0.076 2 0 "[ . 1]" 1
230 1 6 DG H1 1 6 DG H1' 6.500 . 7.500 5.838 5.794 5.875 . 0 0 "[ . 1]" 1
231 1 6 DG H1 1 6 DG H8 6.500 . 7.500 6.406 6.389 6.419 . 0 0 "[ . 1]" 1
232 1 6 DG H1 1 7 DT H1' 6.500 . 7.500 5.376 4.871 6.171 . 0 0 "[ . 1]" 1
233 1 6 DG H1 1 11 DG H21 6.500 . 7.500 3.318 3.039 3.518 . 0 0 "[ . 1]" 1
234 1 6 DG H1 1 11 DG H1 6.500 . 7.500 3.562 3.112 3.848 . 0 0 "[ . 1]" 1
235 1 5 DG H1 1 6 DG H1 6.500 . 7.500 4.950 4.417 5.422 . 0 0 "[ . 1]" 1
236 1 1 DG H1 1 6 DG H1 6.500 . 7.500 3.793 3.693 3.905 . 0 0 "[ . 1]" 1
237 1 6 DG H1 1 7 DT H3 6.500 . 7.500 3.537 2.876 4.503 . 0 0 "[ . 1]" 1
238 1 4 DT H4' 1 11 DG H21 6.500 . 7.500 5.552 5.092 6.110 . 0 0 "[ . 1]" 1
239 1 4 DT H5'' 1 11 DG H21 6.500 . 7.500 4.547 4.225 5.362 . 0 0 "[ . 1]" 1
240 1 4 DT H5' 1 11 DG H21 6.500 . 7.500 5.271 4.858 5.583 . 0 0 "[ . 1]" 1
241 1 6 DG H1' 1 11 DG H21 6.500 . 7.500 7.190 6.442 7.537 0.037 2 0 "[ . 1]" 1
242 1 5 DG H8 1 11 DG H21 6.500 . 7.500 4.070 3.953 4.115 . 0 0 "[ . 1]" 1
243 1 4 DT H4' 1 11 DG H1 6.500 . 7.500 6.874 6.464 7.207 . 0 0 "[ . 1]" 1
244 1 4 DT H5'' 1 11 DG H1 6.500 . 7.500 5.208 4.829 5.906 . 0 0 "[ . 1]" 1
245 1 4 DT H5' 1 11 DG H1 6.500 . 7.500 5.930 5.286 6.373 . 0 0 "[ . 1]" 1
246 1 1 DG H3' 1 5 DG Q2 6.500 . 7.500 4.997 4.603 5.212 . 0 0 "[ . 1]" 1
247 1 1 DG H5'' 1 5 DG Q2 6.500 . 7.500 5.863 5.511 6.388 . 0 0 "[ . 1]" 1
248 1 4 DT H4' 1 5 DG H1 6.500 . 7.500 5.068 4.827 5.287 . 0 0 "[ . 1]" 1
249 1 4 DT H5' 1 5 DG H1 6.500 . 7.500 3.173 2.947 3.397 . 0 0 "[ . 1]" 1
250 1 1 DG H3' 1 5 DG H1 6.500 . 7.500 7.626 7.520 7.686 0.186 4 0 "[ . 1]" 1
251 1 2 DG H8 1 5 DG H1 6.500 . 7.500 4.813 4.709 4.934 . 0 0 "[ . 1]" 1
252 1 4 DT H1' 1 5 DG H1 6.500 . 7.500 7.598 6.693 7.801 0.301 6 0 "[ . 1]" 1
253 1 4 DT H6 1 5 DG H1 6.500 . 7.500 6.307 5.177 6.657 . 0 0 "[ . 1]" 1
254 1 1 DG H22 1 5 DG H1 6.500 . 7.500 4.955 4.359 5.564 . 0 0 "[ . 1]" 1
255 1 5 DG H1 1 11 DG H1 6.500 . 7.500 4.120 3.930 4.197 . 0 0 "[ . 1]" 1
256 1 5 DG H1 1 5 DG Q2 6.500 . 7.500 2.178 2.144 2.240 . 0 0 "[ . 1]" 1
257 1 1 DG H21 1 5 DG H1 6.500 . 7.500 4.335 3.761 4.888 . 0 0 "[ . 1]" 1
258 1 1 DG H1 1 5 DG H1 6.500 . 7.500 4.134 3.783 4.849 . 0 0 "[ . 1]" 1
259 1 1 DG H21 1 1 DG H5' 6.500 . 7.500 5.563 5.198 5.953 . 0 0 "[ . 1]" 1
260 1 1 DG H21 1 1 DG H4' 6.500 . 7.500 7.421 7.301 7.553 0.053 8 0 "[ . 1]" 1
261 1 1 DG H21 1 1 DG H3' 6.500 . 7.500 6.679 6.083 6.982 . 0 0 "[ . 1]" 1
262 1 1 DG H21 1 6 DG H8 6.500 . 7.500 4.098 3.966 4.203 . 0 0 "[ . 1]" 1
263 1 1 DG H21 1 7 DT M7 6.500 . 7.500 3.546 2.909 4.414 . 0 0 "[ . 1]" 1
264 1 1 DG H21 1 5 DG Q2 6.500 . 7.500 3.655 3.267 3.856 . 0 0 "[ . 1]" 1
265 1 1 DG H21 1 1 DG H5'' 6.500 . 7.500 6.285 6.156 6.400 . 0 0 "[ . 1]" 1
266 1 1 DG H1 1 1 DG H5' 6.500 . 7.500 6.469 6.259 6.738 . 0 0 "[ . 1]" 1
267 1 1 DG H1 1 6 DG H8 6.500 . 7.500 6.183 5.879 6.333 . 0 0 "[ . 1]" 1
268 1 1 DG H1 1 7 DT M7 6.500 . 7.500 4.949 4.073 5.888 . 0 0 "[ . 1]" 1
269 1 1 DG H1 1 5 DG Q2 6.500 . 7.500 4.431 4.024 4.687 . 0 0 "[ . 1]" 1
270 1 1 DG H1 1 7 DT H3 6.500 . 7.500 3.488 2.984 4.227 . 0 0 "[ . 1]" 1
271 1 1 DG H1 1 8 DG H1 6.500 . 7.500 5.069 3.722 6.461 . 0 0 "[ . 1]" 1
272 1 1 DG H1 1 1 DG H5'' 6.500 . 7.500 7.487 7.353 7.535 0.035 5 0 "[ . 1]" 1
273 1 7 DT M7 1 10 DG Q2 6.500 . 7.500 6.405 5.686 7.472 . 0 0 "[ . 1]" 1
274 1 9 DT H1' 1 10 DG Q2 6.500 . 7.500 2.899 1.991 3.817 . 0 0 "[ . 1]" 1
275 1 8 DG H4' 1 10 DG H1 6.500 . 7.500 5.507 4.566 7.515 0.015 6 0 "[ . 1]" 1
276 1 9 DT M7 1 10 DG H1 6.500 . 7.500 6.267 5.049 7.418 . 0 0 "[ . 1]" 1
277 1 7 DT M7 1 10 DG H1 6.500 . 7.500 6.217 5.469 7.138 . 0 0 "[ . 1]" 1
278 1 9 DT H6 1 10 DG H1 6.500 . 7.500 6.231 5.025 7.029 . 0 0 "[ . 1]" 1
279 1 9 DT H2'' 1 10 DG H1 6.500 . 7.500 7.514 6.888 7.706 0.206 2 0 "[ . 1]" 1
280 1 9 DT H1' 1 10 DG H1 6.500 . 7.500 5.322 4.717 5.728 . 0 0 "[ . 1]" 1
281 1 10 DG H1 1 10 DG H2'' 6.500 . 7.500 7.157 6.727 7.508 0.008 3 0 "[ . 1]" 1
282 1 8 DG H1 1 10 DG H1 6.500 . 7.500 5.722 4.629 7.118 . 0 0 "[ . 1]" 1
283 1 7 DT H1' 1 7 DT H3 6.500 . 7.500 4.469 4.420 4.519 . 0 0 "[ . 1]" 1
284 1 7 DT H3 1 7 DT M7 6.500 . 7.500 4.147 4.138 4.165 . 0 0 "[ . 1]" 1
285 1 7 DT H2'' 1 7 DT H3 6.500 . 7.500 5.715 5.384 5.885 . 0 0 "[ . 1]" 1
286 1 7 DT H3 1 7 DT H6 6.500 . 7.500 4.783 4.760 4.814 . 0 0 "[ . 1]" 1
287 1 7 DT H3 1 8 DG H1 6.500 . 7.500 4.386 3.430 5.033 . 0 0 "[ . 1]" 1
288 1 1 DG H5' 1 8 DG H1 6.500 . 7.500 5.660 5.409 5.859 . 0 0 "[ . 1]" 1
289 1 1 DG H4' 1 8 DG H1 6.500 . 7.500 7.592 7.498 7.702 0.202 5 0 "[ . 1]" 1
290 1 6 DG H8 1 8 DG H1 6.500 . 7.500 7.490 7.047 7.582 0.082 1 0 "[ . 1]" 1
291 1 7 DT M7 1 8 DG H1 5.880 . 6.880 4.026 3.260 5.278 . 0 0 "[ . 1]" 1
292 1 7 DT H6 1 8 DG H1 6.500 . 7.500 6.689 6.157 7.340 . 0 0 "[ . 1]" 1
293 1 1 DG H22 1 8 DG H1 6.500 . 7.500 5.517 5.077 5.933 . 0 0 "[ . 1]" 1
294 1 1 DG H21 1 8 DG H1 6.500 . 7.500 5.317 4.681 5.977 . 0 0 "[ . 1]" 1
295 1 8 DG H1 1 10 DG Q2 6.500 . 7.500 5.377 4.721 7.471 . 0 0 "[ . 1]" 1
296 1 4 DT H1' 1 4 DT H3 6.500 . 7.500 4.424 4.318 4.498 . 0 0 "[ . 1]" 1
297 1 1 DG H5' 1 5 DG Q2 6.500 . 7.500 6.069 5.571 6.798 . 0 0 "[ . 1]" 1
298 1 5 DG H8 1 11 DG H1 6.500 . 7.500 6.182 6.029 6.277 . 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 25
_Distance_constraint_stats_list.Viol_count 169
_Distance_constraint_stats_list.Viol_total 241.256
_Distance_constraint_stats_list.Viol_max 0.390
_Distance_constraint_stats_list.Viol_rms 0.1056
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0965
_Distance_constraint_stats_list.Viol_average_violations_only 0.1428
_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 6.375 0.318 8 0 "[ . 1]"
1 2 DG 8.917 0.390 8 0 "[ . 1]"
1 5 DG 11.366 0.390 8 0 "[ . 1]"
1 6 DG 12.005 0.323 10 0 "[ . 1]"
1 10 DG 6.218 0.323 10 0 "[ . 1]"
1 11 DG 3.371 0.186 2 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 O6 1 10 DG H1 5.000 4.000 10.000 4.120 3.876 4.548 0.124 10 0 "[ . 1]" 2
2 1 1 DG O6 1 10 DG H21 5.000 4.000 10.000 5.433 5.204 5.762 . 0 0 "[ . 1]" 2
3 1 2 DG H1 1 11 DG O6 5.000 4.000 10.000 3.956 3.898 4.022 0.102 10 0 "[ . 1]" 2
4 1 1 DG H1 1 6 DG O6 1.800 . 1.900 1.856 1.775 2.001 0.101 5 0 "[ . 1]" 2
5 1 1 DG H21 1 6 DG N7 2.000 . 2.100 2.252 2.217 2.306 0.206 6 0 "[ . 1]" 2
6 1 2 DG O6 1 5 DG H1 1.800 . 1.900 2.003 1.965 2.053 0.153 10 0 "[ . 1]" 2
7 1 2 DG N7 1 5 DG H21 2.000 . 2.100 1.931 1.869 2.020 0.031 10 0 "[ . 1]" 2
8 1 6 DG H1 1 10 DG O6 1.800 . 1.900 1.888 1.770 2.036 0.136 8 0 "[ . 1]" 2
9 1 5 DG O6 1 11 DG H1 1.800 . 1.900 1.991 1.919 2.086 0.186 2 0 "[ . 1]" 2
10 1 5 DG N7 1 11 DG H21 2.000 . 2.100 2.217 2.153 2.271 0.171 9 0 "[ . 1]" 2
11 1 1 DG H1 1 6 DG C6 3.100 3.000 3.200 2.965 2.892 3.032 0.108 8 0 "[ . 1]" 2
12 1 1 DG N1 1 6 DG O6 3.100 3.000 3.200 2.721 2.682 2.757 0.318 8 0 "[ . 1]" 2
13 1 2 DG C6 1 5 DG H1 3.100 3.000 3.200 2.661 2.610 2.749 0.390 8 0 "[ . 1]" 2
14 1 2 DG O6 1 5 DG N1 3.100 3.000 3.200 2.857 2.809 2.913 0.191 2 0 "[ . 1]" 2
15 1 6 DG H1 1 10 DG C6 3.100 3.000 3.200 2.940 2.740 3.127 0.260 3 0 "[ . 1]" 2
16 1 6 DG N1 1 10 DG O6 3.100 3.000 3.200 2.723 2.677 2.787 0.323 10 0 "[ . 1]" 2
17 1 5 DG C6 1 11 DG H1 3.100 3.000 3.200 3.149 3.074 3.211 0.011 2 0 "[ . 1]" 2
18 1 5 DG O6 1 11 DG N1 3.100 3.000 3.200 2.921 2.866 2.977 0.134 10 0 "[ . 1]" 2
19 1 1 DG N1 1 6 DG C6 4.000 3.900 4.100 3.848 3.729 3.916 0.171 8 0 "[ . 1]" 2
20 1 2 DG C6 1 5 DG N1 4.000 3.900 4.100 3.647 3.580 3.727 0.320 5 0 "[ . 1]" 2
21 1 6 DG N1 1 10 DG C6 4.000 3.900 4.100 3.709 3.611 3.813 0.289 3 0 "[ . 1]" 2
22 1 5 DG C6 1 11 DG N1 4.000 3.900 4.100 4.032 3.933 4.100 . 0 0 "[ . 1]" 2
23 1 1 DG N2 1 6 DG N7 2.900 2.800 3.000 3.063 2.981 3.113 0.113 8 0 "[ . 1]" 2
24 1 2 DG N7 1 5 DG N2 2.900 2.800 3.000 2.908 2.853 2.989 . 0 0 "[ . 1]" 2
25 1 5 DG N7 1 11 DG N2 2.900 2.800 3.000 2.897 2.838 2.972 . 0 0 "[ . 1]" 2
stop_
save_
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