NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
405919 |
1xcy   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1xcy
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 330
_Distance_constraint_stats_list.Viol_count 563
_Distance_constraint_stats_list.Viol_total 142.576
_Distance_constraint_stats_list.Viol_max 0.134
_Distance_constraint_stats_list.Viol_rms 0.0183
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0053
_Distance_constraint_stats_list.Viol_average_violations_only 0.0281
_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 1.136 0.061 4 0 "[ . ]"
1 2 DG 0.002 0.001 3 0 "[ . ]"
1 3 DT 0.007 0.005 3 0 "[ . ]"
1 4 DA 0.754 0.068 4 0 "[ . ]"
1 5 DC 0.081 0.016 3 0 "[ . ]"
1 6 DXD 1.218 0.134 3 0 "[ . ]"
1 7 DC 1.572 0.083 4 0 "[ . ]"
1 8 DA 1.556 0.110 7 0 "[ . ]"
1 9 DT 0.046 0.009 8 0 "[ . ]"
1 10 DG 0.653 0.042 9 0 "[ . ]"
1 11 DC 0.839 0.039 8 0 "[ . ]"
2 1 DG 0.276 0.021 8 0 "[ . ]"
2 2 DC 0.241 0.012 8 0 "[ . ]"
2 3 DA 2.058 0.131 8 0 "[ . ]"
2 4 DT 2.074 0.129 2 0 "[ . ]"
2 5 DG 0.590 0.058 8 0 "[ . ]"
2 6 DA 0.159 0.014 3 0 "[ . ]"
2 7 DG 1.386 0.090 8 0 "[ . ]"
2 8 DT 0.040 0.007 2 0 "[ . ]"
2 9 DA 0.613 0.069 3 0 "[ . ]"
2 10 DC 0.301 0.018 8 0 "[ . ]"
2 11 DG 1.046 0.040 6 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 H1' 1 1 DC H6 3.720 3.120 4.320 3.763 3.758 3.776 . 0 0 "[ . ]" 1
2 1 1 DC H3' 1 1 DC H6 4.060 3.460 4.660 4.492 4.418 4.519 . 0 0 "[ . ]" 1
3 1 1 DC H5' 1 1 DC H6 3.140 2.540 3.740 3.556 3.485 3.662 . 0 0 "[ . ]" 1
4 1 1 DC H2' 1 1 DC H6 2.490 . 3.090 2.244 2.196 2.281 . 0 0 "[ . ]" 1
5 1 1 DC H1' 1 1 DC H2' 3.840 3.240 4.440 3.181 3.179 3.181 0.061 4 0 "[ . ]" 1
6 1 1 DC H1' 1 1 DC H2'' 2.760 2.160 3.360 2.562 2.558 2.566 . 0 0 "[ . ]" 1
7 1 1 DC H1' 1 1 DC H4' 3.310 2.710 3.910 3.297 3.273 3.328 . 0 0 "[ . ]" 1
8 1 1 DC H1' 1 1 DC H3' 4.410 3.810 5.010 3.810 3.804 3.833 0.006 3 0 "[ . ]" 1
9 1 1 DC H1' 1 1 DC H5'' 4.790 4.190 5.390 4.987 4.977 5.000 . 0 0 "[ . ]" 1
10 1 1 DC H1' 1 1 DC H5' 4.500 3.600 5.400 4.685 4.679 4.691 . 0 0 "[ . ]" 1
11 1 1 DC H2' 1 1 DC H3' 3.260 2.660 3.860 2.634 2.633 2.635 0.027 4 0 "[ . ]" 1
12 1 1 DC H2'' 1 1 DC H3' 3.420 2.820 4.020 2.811 2.809 2.812 0.011 3 0 "[ . ]" 1
13 1 1 DC H3' 1 1 DC H5' 4.420 3.820 5.020 3.807 3.806 3.808 0.014 6 0 "[ . ]" 1
14 1 1 DC H3' 1 1 DC H4' 2.700 . 3.600 2.664 2.656 2.670 . 0 0 "[ . ]" 1
15 1 1 DC H2' 1 1 DC H5 5.210 4.310 6.110 4.376 4.321 4.399 . 0 0 "[ . ]" 1
16 1 1 DC H2'' 1 1 DC H5 5.500 4.600 6.400 5.430 5.407 5.458 . 0 0 "[ . ]" 1
17 1 1 DC H1' 1 1 DC H5 6.130 5.530 6.730 5.514 5.513 5.516 0.017 7 0 "[ . ]" 1
18 1 1 DC H2' 1 1 DC H2'' 2.640 . 3.540 1.778 1.775 1.780 . 0 0 "[ . ]" 1
19 1 1 DC H1' 1 2 DG H8 3.880 3.280 4.480 3.673 3.567 3.760 . 0 0 "[ . ]" 1
20 1 2 DG H1' 1 2 DG H8 3.840 3.240 4.440 3.916 3.914 3.924 . 0 0 "[ . ]" 1
21 1 1 DC H3' 1 2 DG H8 5.200 4.600 5.800 5.594 5.487 5.801 0.001 3 0 "[ . ]" 1
22 1 2 DG H4' 1 2 DG H8 5.180 4.580 5.780 4.985 4.948 5.033 . 0 0 "[ . ]" 1
23 1 2 DG H2'' 1 2 DG H8 4.070 3.470 4.670 3.692 3.667 3.727 . 0 0 "[ . ]" 1
24 1 2 DG H2' 1 2 DG H8 2.530 . 3.130 2.410 2.378 2.425 . 0 0 "[ . ]" 1
25 1 1 DC H2'' 1 2 DG H8 2.490 . 3.090 2.840 2.693 3.034 . 0 0 "[ . ]" 1
26 1 1 DC H2' 1 2 DG H8 3.740 3.140 4.340 4.203 3.960 4.340 0.000 3 0 "[ . ]" 1
27 1 2 DG H8 1 3 DT H6 5.040 4.440 5.640 5.306 5.263 5.333 . 0 0 "[ . ]" 1
28 1 1 DC H6 1 2 DG H8 4.970 4.370 5.570 5.162 4.916 5.334 . 0 0 "[ . ]" 1
29 1 1 DC H4' 1 2 DG H8 5.900 5.000 6.800 6.546 6.455 6.671 . 0 0 "[ . ]" 1
30 1 2 DG H1' 1 2 DG H4' 3.440 2.840 4.040 3.137 3.101 3.190 . 0 0 "[ . ]" 1
31 1 2 DG H1' 1 2 DG H3' 4.000 3.400 4.600 3.783 3.781 3.785 . 0 0 "[ . ]" 1
32 1 1 DC H5 1 2 DG H1' 9.050 8.150 9.950 9.113 8.892 9.339 . 0 0 "[ . ]" 1
33 1 2 DG H2' 1 2 DG H4' 3.900 3.000 4.800 3.671 3.664 3.681 . 0 0 "[ . ]" 1
34 1 2 DG H1' 1 3 DT H6 3.520 2.920 4.120 3.080 3.003 3.161 . 0 0 "[ . ]" 1
35 1 3 DT H1' 1 3 DT H6 3.980 3.380 4.580 3.756 3.751 3.761 . 0 0 "[ . ]" 1
36 1 2 DG H3' 1 3 DT H6 4.740 4.140 5.340 5.074 4.972 5.137 . 0 0 "[ . ]" 1
37 1 3 DT H4' 1 3 DT H6 4.600 4.000 5.200 4.687 4.631 4.729 . 0 0 "[ . ]" 1
38 1 2 DG H2'' 1 3 DT H6 2.210 . 2.810 2.597 2.473 2.661 . 0 0 "[ . ]" 1
39 1 2 DG H2' 1 3 DT H6 3.860 3.260 4.460 4.222 4.126 4.291 . 0 0 "[ . ]" 1
40 1 3 DT H2'' 1 3 DT H6 3.840 3.240 4.440 3.393 3.343 3.472 . 0 0 "[ . ]" 1
41 1 3 DT H2' 1 3 DT H6 2.060 . 2.660 2.066 2.028 2.115 . 0 0 "[ . ]" 1
42 1 3 DT H1' 1 3 DT H2' 3.430 2.830 4.030 3.034 3.031 3.036 . 0 0 "[ . ]" 1
43 1 3 DT H1' 1 3 DT H2'' 2.230 . 2.830 2.435 2.427 2.444 . 0 0 "[ . ]" 1
44 1 3 DT H1' 1 3 DT H3' 3.900 3.300 4.500 3.697 3.663 3.707 . 0 0 "[ . ]" 1
45 1 4 DA H3' 1 4 DA H8 3.850 3.250 4.450 4.456 4.454 4.458 0.008 3 0 "[ . ]" 1
46 1 3 DT H1' 1 4 DA H8 3.550 2.950 4.150 3.578 3.488 3.660 . 0 0 "[ . ]" 1
47 1 4 DA H4' 1 4 DA H8 5.090 4.490 5.690 5.373 5.309 5.406 . 0 0 "[ . ]" 1
48 1 4 DA H8 1 5 DC H6 4.850 4.250 5.450 4.335 4.246 4.521 0.004 3 0 "[ . ]" 1
49 1 4 DA H5' 1 4 DA H8 5.810 4.910 6.710 4.905 4.902 4.907 0.008 8 0 "[ . ]" 1
50 1 4 DA H1' 1 4 DA H3' 3.150 2.550 3.750 3.673 3.638 3.721 . 0 0 "[ . ]" 1
51 1 4 DA H1' 1 4 DA H4' 3.110 2.510 3.710 3.547 3.467 3.628 . 0 0 "[ . ]" 1
52 1 4 DA H1' 1 4 DA H2'' 1.870 . 2.470 2.093 2.087 2.108 . 0 0 "[ . ]" 1
53 1 4 DA H1' 1 5 DC H6 3.430 2.830 4.030 3.384 3.181 3.735 . 0 0 "[ . ]" 1
54 1 5 DC H1' 1 5 DC H6 3.920 3.320 4.520 3.762 3.756 3.767 . 0 0 "[ . ]" 1
55 1 5 DC H5 1 5 DC H6 3.060 2.460 3.660 2.459 2.457 2.464 0.003 4 0 "[ . ]" 1
56 1 4 DA H3' 1 5 DC H6 4.990 4.390 5.590 5.507 5.447 5.590 . 0 0 "[ . ]" 1
57 1 4 DA H2'' 1 5 DC H6 2.540 . 3.140 2.680 2.607 2.760 . 0 0 "[ . ]" 1
58 1 4 DA H2' 1 5 DC H6 3.950 3.350 4.550 3.524 3.447 3.625 . 0 0 "[ . ]" 1
59 1 5 DC H1' 1 6 DXD H3' 5.190 4.290 6.090 5.878 5.408 6.106 0.016 3 0 "[ . ]" 1
60 1 5 DC H2' 1 5 DC H3' 1.830 . 2.730 2.409 2.330 2.466 . 0 0 "[ . ]" 1
61 1 4 DA H3' 1 5 DC H5 7.580 6.680 8.480 6.675 6.673 6.676 0.007 5 0 "[ . ]" 1
62 1 6 DXD H3' 1 6 DXD H4' 4.330 3.430 5.230 3.297 3.296 3.299 0.134 3 0 "[ . ]" 1
63 1 7 DC H5 1 7 DC H6 2.790 2.190 3.390 2.188 2.186 2.191 0.004 1 0 "[ . ]" 1
64 1 7 DC H1' 1 7 DC H6 4.040 3.440 4.640 3.976 3.940 4.019 . 0 0 "[ . ]" 1
65 1 7 DC H2'' 1 7 DC H6 3.830 3.230 4.430 3.707 3.640 3.765 . 0 0 "[ . ]" 1
66 1 7 DC H2' 1 7 DC H6 2.600 . 3.200 3.036 3.010 3.052 . 0 0 "[ . ]" 1
67 1 7 DC H5' 1 7 DC H6 4.970 4.070 5.870 5.515 5.376 5.681 . 0 0 "[ . ]" 1
68 1 7 DC H5'' 1 7 DC H6 5.810 4.910 6.710 6.186 6.005 6.332 . 0 0 "[ . ]" 1
69 1 7 DC H3' 1 7 DC H6 6.760 5.860 7.660 5.781 5.777 5.785 0.083 4 0 "[ . ]" 1
70 1 7 DC H1' 1 7 DC H2' 3.360 2.760 3.960 3.099 3.094 3.107 . 0 0 "[ . ]" 1
71 1 7 DC H1' 1 7 DC H2'' 2.580 . 3.180 2.600 2.575 2.612 . 0 0 "[ . ]" 1
72 1 7 DC H1' 1 7 DC H3' 5.000 4.100 5.900 4.035 4.030 4.041 0.070 3 0 "[ . ]" 1
73 1 6 DXD H3' 1 7 DC H5 5.140 4.540 5.740 5.313 4.992 5.656 . 0 0 "[ . ]" 1
74 1 7 DC H2' 1 7 DC H5 4.910 4.310 5.510 5.157 5.133 5.181 . 0 0 "[ . ]" 1
75 1 7 DC H2'' 1 7 DC H5 5.820 4.920 6.720 5.720 5.677 5.751 . 0 0 "[ . ]" 1
76 1 7 DC H1' 1 8 DA H8 3.790 3.190 4.390 3.175 3.172 3.178 0.018 4 0 "[ . ]" 1
77 1 8 DA H1' 1 8 DA H8 4.230 3.630 4.830 3.900 3.885 3.918 . 0 0 "[ . ]" 1
78 1 8 DA H3' 1 8 DA H8 4.230 3.630 4.830 4.574 4.528 4.654 . 0 0 "[ . ]" 1
79 1 8 DA H2'' 1 8 DA H8 3.820 3.220 4.420 3.443 3.379 3.532 . 0 0 "[ . ]" 1
80 1 8 DA H2' 1 8 DA H8 2.620 2.020 3.220 2.327 2.273 2.421 . 0 0 "[ . ]" 1
81 1 7 DC H2'' 1 8 DA H8 2.810 2.210 3.410 3.158 3.112 3.236 . 0 0 "[ . ]" 1
82 1 7 DC H2' 1 8 DA H8 3.990 3.390 4.590 4.603 4.597 4.607 0.017 4 0 "[ . ]" 1
83 1 8 DA H8 1 9 DT H6 4.980 4.380 5.580 5.084 4.919 5.248 . 0 0 "[ . ]" 1
84 1 7 DC H6 1 8 DA H8 5.150 4.550 5.750 4.592 4.547 4.670 0.003 2 0 "[ . ]" 1
85 1 8 DA H1' 1 8 DA H4' 4.160 3.260 5.060 3.233 3.228 3.237 0.032 3 0 "[ . ]" 1
86 1 8 DA H2'' 1 8 DA H4' . 3.640 4.200 3.666 3.663 3.668 . 0 0 "[ . ]" 1
87 1 8 DA H1' 1 9 DT H6 3.220 2.620 3.820 3.166 3.093 3.294 . 0 0 "[ . ]" 1
88 1 9 DT H1' 1 9 DT H6 3.920 3.320 4.520 3.765 3.752 3.777 . 0 0 "[ . ]" 1
89 1 8 DA H3' 1 9 DT H6 4.710 4.110 5.310 4.906 4.818 4.989 . 0 0 "[ . ]" 1
90 1 9 DT H4' 1 9 DT H6 5.080 4.480 5.680 4.788 4.727 4.838 . 0 0 "[ . ]" 1
91 1 8 DA H2'' 1 9 DT H6 2.400 . 3.000 2.608 2.492 2.675 . 0 0 "[ . ]" 1
92 1 8 DA H2' 1 9 DT H6 3.770 3.170 4.370 4.310 4.185 4.372 0.002 3 0 "[ . ]" 1
93 1 9 DT H2'' 1 9 DT H6 3.310 2.710 3.910 3.369 3.315 3.448 . 0 0 "[ . ]" 1
94 1 9 DT H2' 1 9 DT H6 1.900 . 2.500 2.065 2.038 2.102 . 0 0 "[ . ]" 1
95 1 9 DT H1' 1 9 DT H2' 3.340 2.740 3.940 3.045 3.040 3.051 . 0 0 "[ . ]" 1
96 1 9 DT H1' 1 9 DT H2'' 2.620 2.020 3.220 2.484 2.468 2.509 . 0 0 "[ . ]" 1
97 1 9 DT H1' 1 9 DT H3' 3.974 3.374 4.574 3.745 3.741 3.747 . 0 0 "[ . ]" 1
98 1 9 DT H1' 1 10 DG H8 3.830 3.230 4.430 3.237 3.227 3.291 0.003 5 0 "[ . ]" 1
99 1 10 DG H1' 1 10 DG H8 3.960 3.360 4.560 3.934 3.927 3.941 . 0 0 "[ . ]" 1
100 1 10 DG H8 1 11 DC H5 3.310 2.710 3.910 3.870 3.785 3.913 0.003 2 0 "[ . ]" 1
101 1 10 DG H4' 1 10 DG H8 5.220 4.620 5.820 5.110 5.086 5.126 . 0 0 "[ . ]" 1
102 1 10 DG H3' 1 10 DG H8 4.490 3.890 5.090 5.096 5.092 5.098 0.008 5 0 "[ . ]" 1
103 1 10 DG H2'' 1 10 DG H8 3.950 3.350 4.550 3.895 3.880 3.907 . 0 0 "[ . ]" 1
104 1 10 DG H2' 1 10 DG H8 3.200 2.600 3.800 2.585 2.579 2.589 0.021 8 0 "[ . ]" 1
105 1 9 DT H2' 1 10 DG H8 4.240 3.640 4.840 3.982 3.852 4.148 . 0 0 "[ . ]" 1
106 1 10 DG H8 1 11 DC H6 4.640 4.040 5.240 5.247 5.244 5.249 0.009 3 0 "[ . ]" 1
107 1 9 DT H6 1 10 DG H8 5.090 4.490 5.690 4.494 4.481 4.530 0.009 8 0 "[ . ]" 1
108 1 10 DG H1' 1 10 DG H3' 3.720 3.120 4.320 3.622 3.612 3.629 . 0 0 "[ . ]" 1
109 1 10 DG H1' 1 10 DG H4' 3.320 2.720 3.920 3.085 3.036 3.137 . 0 0 "[ . ]" 1
110 1 10 DG H1' 1 10 DG H2' 3.110 2.510 3.710 3.023 3.018 3.029 . 0 0 "[ . ]" 1
111 1 10 DG H1' 1 10 DG H2'' 2.420 . 3.020 2.384 2.376 2.389 . 0 0 "[ . ]" 1
112 1 10 DG H1' 1 10 DG H5' 4.710 3.810 5.610 4.648 4.638 4.658 . 0 0 "[ . ]" 1
113 1 10 DG H2'' 1 10 DG H3' 3.430 2.530 4.330 2.850 2.848 2.853 . 0 0 "[ . ]" 1
114 1 10 DG H1' 1 11 DC H6 2.960 2.360 3.560 2.803 2.741 2.890 . 0 0 "[ . ]" 1
115 1 11 DC H1' 1 11 DC H6 4.230 3.630 4.830 3.793 3.788 3.803 . 0 0 "[ . ]" 1
116 1 11 DC H5 1 11 DC H6 2.460 . 3.060 2.487 2.480 2.496 . 0 0 "[ . ]" 1
117 1 11 DC H3' 1 11 DC H6 4.600 4.000 5.200 4.698 4.677 4.721 . 0 0 "[ . ]" 1
118 1 11 DC H4' 1 11 DC H6 4.560 3.960 5.160 4.633 4.586 4.667 . 0 0 "[ . ]" 1
119 1 10 DG H2'' 1 11 DC H6 2.470 . 3.070 2.194 2.153 2.261 . 0 0 "[ . ]" 1
120 1 10 DG H2' 1 11 DC H6 3.450 2.850 4.050 3.795 3.763 3.842 . 0 0 "[ . ]" 1
121 1 11 DC H1' 1 11 DC H5' 4.300 3.700 4.900 4.704 4.696 4.710 . 0 0 "[ . ]" 1
122 1 11 DC H1' 1 11 DC H3' 4.470 3.870 5.070 3.839 3.838 3.840 0.032 4 0 "[ . ]" 1
123 1 11 DC H3' 1 11 DC H5' 4.446 3.846 5.046 3.863 3.854 3.872 . 0 0 "[ . ]" 1
124 1 11 DC H3' 1 11 DC H4' 3.850 2.950 4.750 2.912 2.911 2.913 0.039 8 0 "[ . ]" 1
125 1 11 DC H3' 1 11 DC H5 8.030 7.130 8.930 7.113 7.111 7.116 0.019 8 0 "[ . ]" 1
126 2 1 DG H8 2 2 DC H5 3.800 3.200 4.400 4.405 4.402 4.409 0.009 8 0 "[ . ]" 1
127 2 1 DG H1' 2 1 DG H8 4.620 4.020 5.220 4.003 3.999 4.005 0.021 8 0 "[ . ]" 1
128 2 1 DG H2'' 2 1 DG H8 4.360 3.760 4.960 4.037 3.930 4.103 . 0 0 "[ . ]" 1
129 2 1 DG H2' 2 1 DG H8 2.870 2.270 3.470 2.697 2.586 2.791 . 0 0 "[ . ]" 1
130 2 1 DG H8 2 2 DC H6 5.860 5.260 6.460 5.531 5.334 5.780 . 0 0 "[ . ]" 1
131 2 1 DG H1' 2 1 DG H4' 3.040 2.440 3.640 3.237 3.128 3.314 . 0 0 "[ . ]" 1
132 2 1 DG H1' 2 2 DC H5 4.600 3.700 5.500 4.440 4.152 4.651 . 0 0 "[ . ]" 1
133 2 1 DG H1' 2 2 DC H6 4.060 3.460 4.660 3.452 3.448 3.455 0.012 8 0 "[ . ]" 1
134 2 2 DC H1' 2 2 DC H6 3.940 3.340 4.540 3.756 3.751 3.759 . 0 0 "[ . ]" 1
135 2 2 DC H5 2 2 DC H6 2.840 2.240 3.440 2.438 2.434 2.450 . 0 0 "[ . ]" 1
136 2 1 DG H2'' 2 2 DC H6 2.600 . 3.200 2.257 2.162 2.388 . 0 0 "[ . ]" 1
137 2 2 DC H2'' 2 2 DC H6 3.550 2.950 4.150 3.458 3.406 3.503 . 0 0 "[ . ]" 1
138 2 1 DG H2' 2 2 DC H6 4.230 3.630 4.830 3.907 3.749 3.982 . 0 0 "[ . ]" 1
139 2 2 DC H2' 2 2 DC H6 2.380 . 2.980 2.076 2.038 2.109 . 0 0 "[ . ]" 1
140 2 2 DC H1' 2 2 DC H2' 3.650 3.050 4.250 3.061 3.053 3.067 . 0 0 "[ . ]" 1
141 2 2 DC H1' 2 2 DC H2'' 3.160 2.560 3.760 2.549 2.548 2.550 0.012 8 0 "[ . ]" 1
142 2 2 DC H2' 2 2 DC H3' 2.810 . 3.710 2.424 2.411 2.439 . 0 0 "[ . ]" 1
143 2 2 DC H1' 2 3 DA H8 3.460 2.860 4.060 3.595 3.367 3.726 . 0 0 "[ . ]" 1
144 2 3 DA H1' 2 3 DA H8 3.980 3.380 4.580 3.886 3.869 3.907 . 0 0 "[ . ]" 1
145 2 3 DA H3' 2 3 DA H8 4.550 3.950 5.150 4.565 4.524 4.603 . 0 0 "[ . ]" 1
146 2 3 DA H4' 2 3 DA H8 5.560 4.960 6.160 4.956 4.954 4.961 0.006 4 0 "[ . ]" 1
147 2 3 DA H2'' 2 3 DA H8 3.750 3.150 4.350 3.585 3.535 3.642 . 0 0 "[ . ]" 1
148 2 3 DA H2' 2 3 DA H8 2.090 . 2.690 2.336 2.297 2.385 . 0 0 "[ . ]" 1
149 2 2 DC H2'' 2 3 DA H8 2.690 2.090 3.290 3.069 2.733 3.231 . 0 0 "[ . ]" 1
150 2 2 DC H2' 2 3 DA H8 3.670 3.070 4.270 4.223 3.950 4.276 0.006 2 0 "[ . ]" 1
151 2 3 DA H8 2 4 DT H6 5.200 4.600 5.800 5.292 5.062 5.460 . 0 0 "[ . ]" 1
152 2 2 DC H6 2 3 DA H8 5.080 4.480 5.680 4.648 4.478 4.827 0.002 5 0 "[ . ]" 1
153 2 3 DA H1' 2 3 DA H3' 4.180 3.580 4.780 4.197 4.188 4.206 . 0 0 "[ . ]" 1
154 2 3 DA H1' 2 3 DA H4' 3.620 3.020 4.220 2.996 2.993 3.003 0.027 2 0 "[ . ]" 1
155 2 3 DA H3' 2 3 DA H4' 2.700 2.100 3.300 2.487 2.470 2.503 . 0 0 "[ . ]" 1
156 2 3 DA H1' 2 4 DT H6 3.980 3.380 4.580 3.762 3.633 3.916 . 0 0 "[ . ]" 1
157 2 4 DT H1' 2 4 DT H6 4.020 3.420 4.620 3.725 3.700 3.741 . 0 0 "[ . ]" 1
158 2 3 DA H3' 2 4 DT H6 5.220 4.620 5.820 4.954 4.889 5.001 . 0 0 "[ . ]" 1
159 2 3 DA H2' 2 4 DT H6 4.230 3.630 4.830 4.258 4.105 4.351 . 0 0 "[ . ]" 1
160 2 3 DA H2'' 2 4 DT H6 2.670 2.070 3.270 2.831 2.702 2.939 . 0 0 "[ . ]" 1
161 2 4 DT H2'' 2 4 DT H6 3.130 2.530 3.730 3.330 3.298 3.379 . 0 0 "[ . ]" 1
162 2 4 DT H2' 2 4 DT H6 1.230 . 1.830 1.852 1.849 1.857 0.027 6 0 "[ . ]" 1
163 2 4 DT H3' 2 4 DT H6 5.230 4.330 6.130 4.732 4.652 4.786 . 0 0 "[ . ]" 1
164 2 4 DT H1' 2 4 DT H2' 3.820 3.220 4.420 3.152 3.149 3.153 0.071 6 0 "[ . ]" 1
165 2 4 DT H1' 2 4 DT H2'' 3.280 2.680 3.880 2.671 2.670 2.673 0.010 2 0 "[ . ]" 1
166 2 4 DT H2' 2 4 DT H3' 3.920 3.320 4.520 3.193 3.191 3.195 0.129 2 0 "[ . ]" 1
167 2 4 DT H1' 2 5 DG H8 3.980 3.380 4.580 3.714 3.711 3.717 . 0 0 "[ . ]" 1
168 2 5 DG H1' 2 5 DG H8 3.900 3.300 4.500 3.980 3.975 3.984 . 0 0 "[ . ]" 1
169 2 5 DG H2' 2 5 DG H8 1.850 . 2.450 2.196 2.194 2.198 . 0 0 "[ . ]" 1
170 2 4 DT H6 2 5 DG H8 5.270 4.670 5.870 4.740 4.661 4.935 0.009 5 0 "[ . ]" 1
171 2 4 DT H2' 2 5 DG H8 4.420 3.820 5.020 3.868 3.814 4.055 0.006 2 0 "[ . ]" 1
172 2 5 DG H3' 2 5 DG H8 5.980 5.080 6.880 5.023 5.022 5.025 0.058 8 0 "[ . ]" 1
173 2 5 DG H1' 2 5 DG H2' 3.480 2.880 4.080 2.944 2.939 2.949 . 0 0 "[ . ]" 1
174 2 5 DG H1' 2 5 DG H2'' 2.420 . 3.020 2.442 2.435 2.446 . 0 0 "[ . ]" 1
175 2 5 DG H1' 2 6 DA H8 3.110 2.510 3.710 3.126 2.991 3.318 . 0 0 "[ . ]" 1
176 2 6 DA H1' 2 6 DA H8 3.970 3.370 4.570 3.946 3.933 3.959 . 0 0 "[ . ]" 1
177 2 6 DA H2'' 2 6 DA H8 4.070 3.470 4.670 3.573 3.509 3.667 . 0 0 "[ . ]" 1
178 2 6 DA H1' 2 6 DA H2' 3.370 2.770 3.970 3.061 3.054 3.064 . 0 0 "[ . ]" 1
179 2 6 DA H1' 2 6 DA H2'' 3.210 2.610 3.810 2.597 2.596 2.598 0.014 3 0 "[ . ]" 1
180 2 6 DA H1' 2 6 DA H4' 3.480 2.880 4.080 3.244 3.128 3.324 . 0 0 "[ . ]" 1
181 2 6 DA H1' 2 7 DG H8 3.480 2.880 4.080 3.499 3.398 3.785 . 0 0 "[ . ]" 1
182 2 7 DG H1' 2 7 DG H8 4.590 3.990 5.190 3.957 3.954 3.960 0.036 3 0 "[ . ]" 1
183 2 7 DG H3' 2 7 DG H8 4.150 3.550 4.750 4.476 4.471 4.481 . 0 0 "[ . ]" 1
184 2 7 DG H4' 2 7 DG H8 5.350 4.750 5.950 4.851 4.799 4.927 . 0 0 "[ . ]" 1
185 2 7 DG H2' 2 7 DG H8 2.240 . 2.840 1.941 1.904 1.962 . 0 0 "[ . ]" 1
186 2 7 DG H2'' 2 7 DG H8 4.010 3.410 4.610 3.512 3.458 3.540 . 0 0 "[ . ]" 1
187 2 7 DG H8 2 8 DT H6 5.390 4.790 5.990 5.371 5.280 5.455 . 0 0 "[ . ]" 1
188 2 6 DA H2' 2 7 DG H8 4.080 3.480 4.680 3.860 3.686 4.098 . 0 0 "[ . ]" 1
189 2 7 DG H1' 2 7 DG H4' 3.870 3.270 4.470 3.258 3.254 3.266 0.016 4 0 "[ . ]" 1
190 2 7 DG H1' 2 7 DG H3' 4.170 3.570 4.770 3.885 3.877 3.904 . 0 0 "[ . ]" 1
191 2 7 DG H1' 2 7 DG H2' 3.580 2.980 4.180 3.010 3.003 3.023 . 0 0 "[ . ]" 1
192 2 7 DG H1' 2 7 DG H2'' 2.910 2.310 3.510 2.608 2.607 2.609 . 0 0 "[ . ]" 1
193 2 7 DG H1' 2 7 DG H5' 4.850 3.950 5.750 4.741 4.723 4.756 . 0 0 "[ . ]" 1
194 2 7 DG H3' 2 7 DG H4' 3.820 3.220 4.420 3.131 3.130 3.132 0.090 8 0 "[ . ]" 1
195 2 7 DG H1' 2 8 DT H6 3.290 2.690 3.890 2.966 2.885 3.057 . 0 0 "[ . ]" 1
196 2 8 DT H1' 2 8 DT H6 3.570 2.970 4.170 3.744 3.739 3.751 . 0 0 "[ . ]" 1
197 2 8 DT H4' 2 8 DT H6 4.770 4.170 5.370 4.748 4.678 4.808 . 0 0 "[ . ]" 1
198 2 7 DG H2'' 2 8 DT H6 3.270 2.670 3.870 2.749 2.674 2.826 . 0 0 "[ . ]" 1
199 2 7 DG H2' 2 8 DT H6 4.500 3.900 5.100 4.122 4.059 4.196 . 0 0 "[ . ]" 1
200 2 8 DT H2'' 2 8 DT H6 3.100 2.500 3.700 3.281 3.223 3.375 . 0 0 "[ . ]" 1
201 2 8 DT H2' 2 8 DT H6 2.160 . 2.760 1.996 1.968 2.036 . 0 0 "[ . ]" 1
202 2 8 DT H1' 2 8 DT H2'' 2.790 2.190 3.390 2.458 2.430 2.473 . 0 0 "[ . ]" 1
203 2 8 DT H1' 2 8 DT H4' 3.240 2.640 3.840 3.379 3.303 3.437 . 0 0 "[ . ]" 1
204 2 8 DT H1' 2 9 DA H8 3.480 2.880 4.080 3.189 3.004 3.337 . 0 0 "[ . ]" 1
205 2 9 DA H8 2 10 DC H5 3.630 3.030 4.230 3.660 3.561 3.802 . 0 0 "[ . ]" 1
206 2 9 DA H8 2 10 DC H6 5.410 4.810 6.010 5.004 4.919 5.074 . 0 0 "[ . ]" 1
207 2 8 DT H6 2 9 DA H8 4.770 4.170 5.370 4.785 4.460 5.275 . 0 0 "[ . ]" 1
208 2 9 DA H1' 2 10 DC H5 3.860 3.260 4.460 3.886 3.748 4.114 . 0 0 "[ . ]" 1
209 2 9 DA H1' 2 10 DC H6 2.810 2.210 3.410 2.889 2.725 3.118 . 0 0 "[ . ]" 1
210 2 10 DC H1' 2 10 DC H6 3.680 3.080 4.280 3.692 3.685 3.696 . 0 0 "[ . ]" 1
211 2 10 DC H5 2 10 DC H6 2.510 . 3.110 2.473 2.469 2.477 . 0 0 "[ . ]" 1
212 2 9 DA H3' 2 10 DC H6 5.660 5.060 6.260 5.117 5.062 5.206 . 0 0 "[ . ]" 1
213 2 10 DC H2' 2 10 DC H6 1.670 . 2.270 1.881 1.879 1.883 . 0 0 "[ . ]" 1
214 2 10 DC H2'' 2 10 DC H6 2.800 2.200 3.400 3.168 3.134 3.187 . 0 0 "[ . ]" 1
215 2 9 DA H2' 2 10 DC H6 3.900 3.300 4.500 3.615 3.456 3.788 . 0 0 "[ . ]" 1
216 2 9 DA H2'' 2 10 DC H6 2.260 . 2.860 2.356 2.279 2.471 . 0 0 "[ . ]" 1
217 2 10 DC H3' 2 10 DC H6 3.230 2.330 4.130 4.145 4.143 4.148 0.018 8 0 "[ . ]" 1
218 2 10 DC H1' 2 10 DC H2' 3.270 2.670 3.870 3.041 3.038 3.043 . 0 0 "[ . ]" 1
219 2 10 DC H1' 2 10 DC H3' 3.980 3.080 4.880 3.679 3.667 3.684 . 0 0 "[ . ]" 1
220 2 10 DC H2' 2 10 DC H3' 1.430 . 2.330 2.329 2.321 2.332 0.002 5 0 "[ . ]" 1
221 2 10 DC H2'' 2 10 DC H3' 2.241 . 3.141 2.610 2.588 2.629 . 0 0 "[ . ]" 1
222 2 10 DC H3' 2 10 DC H5' 4.580 3.680 5.480 3.676 3.675 3.676 0.005 4 0 "[ . ]" 1
223 2 10 DC H3' 2 10 DC H4' 3.680 2.780 4.580 2.777 2.775 2.779 0.005 5 0 "[ . ]" 1
224 1 6 DXD H4' 2 10 DC H5 9.470 8.570 10.370 9.780 9.304 10.265 . 0 0 "[ . ]" 1
225 2 10 DC H1' 2 11 DG H8 3.930 3.330 4.530 3.332 3.327 3.360 0.003 2 0 "[ . ]" 1
226 2 11 DG H1' 2 11 DG H8 4.440 3.840 5.040 4.037 4.021 4.044 . 0 0 "[ . ]" 1
227 2 11 DG H3' 2 11 DG H8 6.160 5.560 6.760 5.527 5.524 5.531 0.036 4 0 "[ . ]" 1
228 2 11 DG H4' 2 11 DG H8 5.800 5.200 6.400 5.422 5.381 5.478 . 0 0 "[ . ]" 1
229 2 10 DC H2' 2 11 DG H8 4.160 3.560 4.760 4.372 4.280 4.446 . 0 0 "[ . ]" 1
230 2 10 DC H2'' 2 11 DG H8 3.700 3.100 4.300 3.091 3.089 3.094 0.011 8 0 "[ . ]" 1
231 2 11 DG H2' 2 11 DG H8 3.420 2.820 4.020 3.020 2.992 3.057 . 0 0 "[ . ]" 1
232 2 11 DG H2'' 2 11 DG H8 3.890 3.290 4.490 4.078 4.019 4.129 . 0 0 "[ . ]" 1
233 2 10 DC H6 2 11 DG H8 4.710 4.110 5.310 4.563 4.343 4.750 . 0 0 "[ . ]" 1
234 2 11 DG H1' 2 11 DG H3' 4.530 3.930 5.130 3.891 3.890 3.892 0.040 6 0 "[ . ]" 1
235 2 11 DG H1' 2 11 DG H4' 4.100 3.500 4.700 3.481 3.478 3.484 0.022 8 0 "[ . ]" 1
236 2 11 DG H1' 2 11 DG H2' 3.219 2.619 3.819 3.109 3.108 3.110 . 0 0 "[ . ]" 1
237 2 11 DG H1' 2 11 DG H2'' 3.260 2.660 3.860 2.646 2.645 2.647 0.015 5 0 "[ . ]" 1
238 2 11 DG H2' 2 11 DG H3' 2.950 2.350 3.550 2.630 2.621 2.634 . 0 0 "[ . ]" 1
239 2 11 DG H2'' 2 11 DG H3' 3.380 2.780 3.980 2.779 2.778 2.781 0.002 3 0 "[ . ]" 1
240 2 11 DG H3' 2 11 DG H4' 2.550 . 3.150 2.654 2.649 2.659 . 0 0 "[ . ]" 1
241 1 1 DC H5 1 1 DC H6 2.320 . 2.920 2.467 2.462 2.471 . 0 0 "[ . ]" 1
242 2 6 DA H4' 2 6 DA H8 4.980 4.380 5.580 5.002 4.965 5.067 . 0 0 "[ . ]" 1
243 1 2 DG H1' 1 2 DG H2'' 2.990 . 4.490 2.517 2.505 2.532 . 0 0 "[ . ]" 1
244 2 1 DG H1' 2 1 DG H2'' 2.990 . 4.490 2.486 2.464 2.508 . 0 0 "[ . ]" 1
245 1 2 DG H1' 1 2 DG H2' 3.760 2.260 5.260 3.052 3.046 3.057 . 0 0 "[ . ]" 1
246 2 1 DG H1' 2 1 DG H2' 3.760 2.260 5.260 3.040 3.034 3.044 . 0 0 "[ . ]" 1
247 1 3 DT H6 1 3 DT M7 3.320 . 4.300 2.375 2.363 2.386 . 0 0 "[ . ]" 1
248 1 4 DA H1' 1 4 DA H8 3.590 2.090 5.090 3.821 3.797 3.855 . 0 0 "[ . ]" 1
249 2 9 DA H1' 2 9 DA H8 3.590 2.090 5.090 3.855 3.836 3.882 . 0 0 "[ . ]" 1
250 1 4 DA H2'' 1 4 DA H8 3.190 . 4.690 3.567 3.515 3.670 . 0 0 "[ . ]" 1
251 2 9 DA H2'' 2 9 DA H8 3.190 . 4.690 3.734 3.685 3.811 . 0 0 "[ . ]" 1
252 1 4 DA H2' 1 4 DA H8 1.710 . 3.210 2.090 2.056 2.179 . 0 0 "[ . ]" 1
253 2 9 DA H2' 2 9 DA H8 1.710 . 3.210 2.239 2.205 2.329 . 0 0 "[ . ]" 1
254 1 3 DT H2'' 1 4 DA H8 4.330 2.830 5.830 2.903 2.825 3.034 0.005 3 0 "[ . ]" 1
255 2 8 DT H2'' 2 9 DA H8 4.330 2.830 5.830 2.830 2.823 2.872 0.007 2 0 "[ . ]" 1
256 1 3 DT H2' 1 4 DA H8 4.330 2.830 5.830 4.278 4.168 4.454 . 0 0 "[ . ]" 1
257 2 8 DT H2' 2 9 DA H8 4.330 2.830 5.830 4.275 4.105 4.464 . 0 0 "[ . ]" 1
258 1 4 DA H1' 1 4 DA H2' 2.460 2.260 2.660 2.726 2.722 2.728 0.068 4 0 "[ . ]" 1
259 2 9 DA H1' 2 9 DA H2' 2.460 2.260 2.660 2.724 2.714 2.729 0.069 3 0 "[ . ]" 1
260 1 5 DC H2'' 1 5 DC H6 2.040 . 3.540 3.296 3.199 3.408 . 0 0 "[ . ]" 1
261 1 5 DC H2' 1 5 DC H6 2.040 . 3.540 2.112 2.026 2.205 . 0 0 "[ . ]" 1
262 1 5 DC H1' 1 5 DC H2'' 2.370 . 3.870 2.490 2.476 2.499 . 0 0 "[ . ]" 1
263 1 5 DC H1' 1 5 DC H2' 2.370 . 3.870 3.027 3.020 3.036 . 0 0 "[ . ]" 1
264 1 6 DXD H3' 1 7 DC H6 4.740 3.240 6.240 4.410 4.200 4.587 . 0 0 "[ . ]" 1
265 1 7 DC H4' 1 7 DC H6 4.740 3.240 6.240 5.949 5.905 5.996 . 0 0 "[ . ]" 1
266 1 8 DA H8 1 9 DT M7 3.050 . 4.550 2.547 2.431 2.710 . 0 0 "[ . ]" 1
267 2 3 DA H8 2 4 DT M7 3.050 . 4.550 2.792 2.699 2.860 . 0 0 "[ . ]" 1
268 1 8 DA H1' 1 8 DA H2'' 2.870 2.670 3.070 2.662 2.661 2.664 0.009 7 0 "[ . ]" 1
269 1 8 DA H1' 1 8 DA H2' 3.670 3.470 3.870 3.361 3.360 3.362 0.110 7 0 "[ . ]" 1
270 2 3 DA H1' 2 3 DA H2' 3.670 3.470 3.870 3.401 3.400 3.402 0.070 4 0 "[ . ]" 1
271 2 3 DA H1' 2 3 DA H2'' 3.670 3.470 3.870 3.340 3.339 3.341 0.131 8 0 "[ . ]" 1
272 2 3 DA H2' 2 4 DT M7 2.670 . 4.100 2.490 2.429 2.537 . 0 0 "[ . ]" 1
273 1 9 DT H6 1 9 DT M7 3.110 . 4.300 2.377 2.363 2.387 . 0 0 "[ . ]" 1
274 1 11 DC H2'' 1 11 DC H6 2.450 . 3.950 3.719 3.678 3.795 . 0 0 "[ . ]" 1
275 1 11 DC H2' 1 11 DC H6 2.450 . 3.950 2.382 2.344 2.449 . 0 0 "[ . ]" 1
276 1 11 DC H1' 1 11 DC H2'' 3.040 . 4.540 2.513 2.510 2.518 . 0 0 "[ . ]" 1
277 1 11 DC H1' 1 11 DC H2' 3.040 . 4.540 3.070 3.069 3.073 . 0 0 "[ . ]" 1
278 1 11 DC H2'' 1 11 DC H5 4.740 3.240 6.240 5.615 5.593 5.656 . 0 0 "[ . ]" 1
279 1 11 DC H2' 1 11 DC H5 4.740 3.240 6.240 4.666 4.656 4.689 . 0 0 "[ . ]" 1
280 1 11 DC H2'' 1 11 DC H3' 3.010 . 4.510 2.687 2.682 2.690 . 0 0 "[ . ]" 1
281 1 11 DC H2' 1 11 DC H3' 3.010 . 4.510 2.514 2.507 2.517 . 0 0 "[ . ]" 1
282 2 4 DT H6 2 4 DT M7 2.970 . 4.300 2.362 2.336 2.384 . 0 0 "[ . ]" 1
283 2 5 DG H2' 2 6 DA H8 2.920 . 4.420 4.409 4.284 4.430 0.010 4 0 "[ . ]" 1
284 2 6 DA H2' 2 6 DA H8 2.920 . 4.420 2.294 2.205 2.388 . 0 0 "[ . ]" 1
285 2 7 DG H8 2 8 DT M7 3.100 . 4.600 2.925 2.893 2.979 . 0 0 "[ . ]" 1
286 2 7 DG H1' 2 8 DT M7 4.000 2.500 5.500 3.087 3.012 3.163 . 0 0 "[ . ]" 1
287 2 7 DG H2' 2 8 DT M7 2.600 . 4.100 2.297 2.226 2.380 . 0 0 "[ . ]" 1
288 2 7 DG H2'' 2 8 DT M7 2.200 . 3.700 2.028 1.994 2.070 . 0 0 "[ . ]" 1
289 2 7 DG H3' 2 8 DT M7 5.000 3.500 6.500 4.300 4.270 4.332 . 0 0 "[ . ]" 1
290 2 8 DT H6 2 8 DT M7 2.800 . 4.300 2.349 2.339 2.356 . 0 0 "[ . ]" 1
291 1 2 DG H8 1 3 DT M7 3.060 . 4.560 2.862 2.814 2.883 . 0 0 "[ . ]" 1
292 2 3 DA H1' 2 4 DT M7 4.000 2.500 5.500 3.554 3.413 3.724 . 0 0 "[ . ]" 1
293 1 8 DA H1' 1 9 DT M7 4.000 2.500 5.500 3.244 3.182 3.404 . 0 0 "[ . ]" 1
294 1 8 DA H2'' 1 9 DT M7 2.200 . 3.700 1.941 1.938 1.948 . 0 0 "[ . ]" 1
295 2 3 DA H2'' 2 4 DT M7 2.200 . 3.700 2.002 1.963 2.057 . 0 0 "[ . ]" 1
296 1 2 DG H1' 1 3 DT M7 4.000 2.500 5.500 3.198 3.178 3.285 . 0 0 "[ . ]" 1
297 1 2 DG H3' 1 3 DT M7 5.000 3.500 6.500 4.243 4.202 4.282 . 0 0 "[ . ]" 1
298 1 2 DG H2'' 1 3 DT M7 2.200 . 3.700 2.024 1.997 2.053 . 0 0 "[ . ]" 1
299 1 2 DG H2' 1 3 DT M7 2.600 . 4.100 2.533 2.461 2.580 . 0 0 "[ . ]" 1
300 1 8 DA H2' 1 9 DT M7 2.600 . 4.100 2.505 2.424 2.557 . 0 0 "[ . ]" 1
301 1 4 DA H2' 1 5 DC H5 3.720 2.220 5.220 4.096 4.085 4.107 . 0 0 "[ . ]" 1
302 2 9 DA H2' 2 10 DC H5 3.720 2.220 5.220 3.209 3.117 3.414 . 0 0 "[ . ]" 1
303 1 4 DA H2'' 1 5 DC H5 3.720 2.220 5.220 4.248 4.212 4.318 . 0 0 "[ . ]" 1
304 2 9 DA H2'' 2 10 DC H5 3.720 2.220 5.220 3.152 3.013 3.313 . 0 0 "[ . ]" 1
305 2 5 DG H1' 2 5 DG H5' 5.600 4.100 7.100 4.696 4.685 4.710 . 0 0 "[ . ]" 1
306 2 5 DG H1' 2 5 DG H5'' 5.600 4.100 7.100 4.916 4.900 4.937 . 0 0 "[ . ]" 1
307 1 3 DT H2' 1 3 DT M7 4.400 2.600 6.200 3.951 3.925 3.978 . 0 0 "[ . ]" 1
308 2 8 DT H2' 2 8 DT M7 4.400 3.200 5.900 3.890 3.876 3.895 . 0 0 "[ . ]" 1
309 1 10 DG H2' 1 10 DG H4' 5.850 4.050 7.650 4.010 4.008 4.011 0.042 9 0 "[ . ]" 1
310 2 7 DG H2' 2 7 DG H4' 5.850 4.050 7.650 4.029 4.026 4.031 0.024 5 0 "[ . ]" 1
311 1 2 DG H2'' 1 2 DG H4' 4.880 3.380 6.380 4.079 4.063 4.094 . 0 0 "[ . ]" 1
312 2 1 DG H2'' 2 1 DG H4' 4.880 3.380 6.380 4.136 4.108 4.147 . 0 0 "[ . ]" 1
313 1 4 DA H2' 1 4 DA H4' 5.280 3.780 6.780 4.285 4.284 4.287 . 0 0 "[ . ]" 1
314 2 9 DA H2' 2 9 DA H4' 5.280 3.780 6.780 4.282 4.280 4.287 . 0 0 "[ . ]" 1
315 1 4 DA H2'' 1 4 DA H4' 5.280 3.780 6.780 4.350 4.348 4.352 . 0 0 "[ . ]" 1
316 2 9 DA H2'' 2 9 DA H4' 5.280 3.780 6.780 4.355 4.354 4.357 . 0 0 "[ . ]" 1
317 1 5 DC H2'' 1 5 DC H5 5.570 3.770 7.370 5.222 5.141 5.288 . 0 0 "[ . ]" 1
318 1 5 DC H2' 1 5 DC H5 5.570 3.770 7.370 4.482 4.429 4.550 . 0 0 "[ . ]" 1
319 1 3 DT H2' 1 3 DT H3' 1.600 . 3.100 2.430 2.421 2.448 . 0 0 "[ . ]" 1
320 2 8 DT H2' 2 8 DT H3' 1.600 . 3.100 2.415 2.394 2.432 . 0 0 "[ . ]" 1
321 1 10 DG H2' 1 10 DG H3' 3.800 2.300 5.300 2.858 2.855 2.860 . 0 0 "[ . ]" 1
322 2 7 DG H2' 2 7 DG H3' 3.800 2.300 5.300 2.811 2.807 2.815 . 0 0 "[ . ]" 1
323 1 4 DA H1' 1 4 DA H5'' 4.680 3.180 6.180 4.993 4.966 5.020 . 0 0 "[ . ]" 1
324 2 9 DA H1' 2 9 DA H5'' 4.680 3.180 6.180 4.990 4.942 5.046 . 0 0 "[ . ]" 1
325 1 8 DA H2' 1 8 DA H3' 3.190 . 4.690 2.294 2.289 2.308 . 0 0 "[ . ]" 1
326 2 3 DA H2' 2 3 DA H3' 3.190 . 4.690 2.319 2.307 2.334 . 0 0 "[ . ]" 1
327 1 8 DA H2'' 1 8 DA H3' 3.330 . 4.830 2.536 2.526 2.545 . 0 0 "[ . ]" 1
328 2 3 DA H2'' 2 3 DA H3' 3.330 . 4.830 2.423 2.422 2.423 . 0 0 "[ . ]" 1
329 1 1 DC H2'' 1 1 DC H6 4.150 3.000 5.650 3.620 3.599 3.654 . 0 0 "[ . ]" 1
330 2 5 DG H2'' 2 5 DG H8 4.150 3.000 5.650 3.588 3.586 3.590 . 0 0 "[ . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 1
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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
2 3 DA 0.000 0.000 . 0 "[ . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 2 3 DA H2'' 2 3 DA H4' 2.700 . 4.200 3.672 3.670 3.677 . 0 0 "[ . ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 26
_Distance_constraint_stats_list.Viol_count 42
_Distance_constraint_stats_list.Viol_total 0.444
_Distance_constraint_stats_list.Viol_max 0.003
_Distance_constraint_stats_list.Viol_rms 0.0006
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0012
_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 0.002 0.001 4 0 "[ . ]"
1 2 DG 0.000 0.000 . 0 "[ . ]"
1 3 DT 0.001 0.001 8 0 "[ . ]"
1 4 DA 0.015 0.003 8 0 "[ . ]"
1 5 DC 0.000 0.000 3 0 "[ . ]"
1 7 DC 0.011 0.002 9 0 "[ . ]"
1 8 DA 0.011 0.003 5 0 "[ . ]"
1 9 DT 0.006 0.002 5 0 "[ . ]"
1 10 DG 0.003 0.001 6 0 "[ . ]"
1 11 DC 0.000 0.000 . 0 "[ . ]"
2 1 DG 0.000 0.000 . 0 "[ . ]"
2 2 DC 0.003 0.001 6 0 "[ . ]"
2 3 DA 0.006 0.002 5 0 "[ . ]"
2 4 DT 0.011 0.003 5 0 "[ . ]"
2 5 DG 0.011 0.002 9 0 "[ . ]"
2 7 DG 0.000 0.000 3 0 "[ . ]"
2 8 DT 0.015 0.003 8 0 "[ . ]"
2 9 DA 0.001 0.001 8 0 "[ . ]"
2 10 DC 0.000 0.000 . 0 "[ . ]"
2 11 DG 0.002 0.001 4 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 11 DG H1 1.940 . 2.040 1.983 1.968 1.997 . 0 0 "[ . ]" 3
2 1 1 DC H41 2 11 DG O6 1.900 . 2.000 1.802 1.799 1.819 0.001 4 0 "[ . ]" 3
3 1 1 DC O2 2 11 DG H21 1.840 . 1.940 1.900 1.855 1.933 . 0 0 "[ . ]" 3
4 1 2 DG H1 2 10 DC N3 1.940 . 2.240 1.984 1.971 1.995 . 0 0 "[ . ]" 3
5 1 2 DG O6 2 10 DC H41 1.900 . 2.300 1.881 1.817 1.901 . 0 0 "[ . ]" 3
6 1 2 DG H21 2 10 DC O2 1.840 . 2.140 1.876 1.845 1.975 . 0 0 "[ . ]" 3
7 1 3 DT H3 2 9 DA N1 1.810 . 1.910 1.885 1.858 1.911 0.001 8 0 "[ . ]" 3
8 1 3 DT O4 2 9 DA H61 1.840 . 1.940 1.853 1.826 1.924 . 0 0 "[ . ]" 3
9 1 4 DA N1 2 8 DT H3 1.810 . 1.910 1.912 1.910 1.913 0.003 8 0 "[ . ]" 3
10 1 4 DA H61 2 8 DT O4 1.840 . 1.940 1.828 1.746 1.934 . 0 0 "[ . ]" 3
11 1 5 DC N3 2 7 DG H1 1.940 . 2.040 1.948 1.922 1.972 . 0 0 "[ . ]" 3
12 1 5 DC O2 2 7 DG H21 1.840 . 1.940 1.792 1.740 1.843 0.000 3 0 "[ . ]" 3
13 1 5 DC H41 2 7 DG O6 1.900 . 2.000 1.871 1.804 1.957 . 0 0 "[ . ]" 3
14 1 7 DC N3 2 5 DG H1 1.940 . 2.040 1.932 1.918 1.946 . 0 0 "[ . ]" 3
15 1 7 DC H41 2 5 DG O6 1.900 . 2.000 1.815 1.798 1.900 0.002 9 0 "[ . ]" 3
16 1 7 DC O2 2 5 DG H21 1.840 . 1.940 1.909 1.828 1.942 0.002 6 0 "[ . ]" 3
17 1 8 DA N1 2 4 DT H3 1.810 . 1.910 1.909 1.887 1.913 0.003 5 0 "[ . ]" 3
18 1 8 DA H61 2 4 DT O4 1.840 . 1.940 1.800 1.740 1.851 . 0 0 "[ . ]" 3
19 1 9 DT H3 2 3 DA N1 1.810 . 1.910 1.911 1.910 1.912 0.002 5 0 "[ . ]" 3
20 1 9 DT O4 2 3 DA H61 1.840 . 1.940 1.864 1.786 1.939 . 0 0 "[ . ]" 3
21 1 10 DG H1 2 2 DC N3 1.940 . 2.240 1.988 1.963 2.016 . 0 0 "[ . ]" 3
22 1 10 DG O6 2 2 DC H41 1.900 . 2.300 1.808 1.799 1.839 0.001 6 0 "[ . ]" 3
23 1 10 DG H21 2 2 DC O2 1.840 . 2.140 2.046 1.929 2.141 0.001 5 0 "[ . ]" 3
24 1 11 DC N3 2 1 DG H1 1.940 . 2.040 1.979 1.969 2.010 . 0 0 "[ . ]" 3
25 1 11 DC H41 2 1 DG O6 1.900 . 2.000 1.884 1.860 1.965 . 0 0 "[ . ]" 3
26 1 11 DC O2 2 1 DG H21 1.840 . 1.940 1.840 1.812 1.862 . 0 0 "[ . ]" 3
stop_
save_
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