NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
368585 |
1ax6   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ax6
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 154
_Distance_constraint_stats_list.Viol_count 206
_Distance_constraint_stats_list.Viol_total 165.986
_Distance_constraint_stats_list.Viol_max 0.764
_Distance_constraint_stats_list.Viol_rms 0.0778
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0299
_Distance_constraint_stats_list.Viol_average_violations_only 0.1343
_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 1.900 0.284 5 0 "[ . ]"
1 2 DT 2.191 0.238 4 0 "[ . ]"
1 3 DC 3.722 0.426 3 0 "[ . ]"
1 4 DG 3.160 0.310 3 0 "[ . ]"
1 5 DG 0.675 0.148 5 0 "[ . ]"
1 6 DC 0.055 0.055 1 0 "[ . ]"
1 7 DG 1.393 0.331 6 0 "[ . ]"
1 8 DC 1.947 0.331 6 0 "[ . ]"
1 9 DC 1.661 0.199 2 0 "[ . ]"
1 10 DA 0.805 0.172 1 0 "[ . ]"
1 11 DT 1.668 0.180 1 0 "[ . ]"
1 12 DC 1.679 0.252 5 0 "[ . ]"
2 1 DG 1.754 0.192 3 0 "[ . ]"
2 2 DA 2.352 0.523 2 1 "[ + . ]"
2 3 DT 5.125 0.764 1 3 "[+- *. ]"
2 4 DG 3.685 0.764 1 2 "[+ -. ]"
2 5 DG 0.000 0.000 . 0 "[ . ]"
2 6 DC 0.507 0.145 4 0 "[ . ]"
2 7 DC 0.107 0.096 5 0 "[ . ]"
2 8 DG 0.469 0.096 5 0 "[ . ]"
2 9 DA 0.371 0.101 4 0 "[ . ]"
2 10 DG 1.475 0.230 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 H2' 2.700 2.160 3.240 3.064 3.055 3.074 . 0 0 "[ . ]" 1
2 1 1 DC H1' 1 1 DC H2'' 2.350 . 2.820 2.332 2.315 2.364 . 0 0 "[ . ]" 1
3 1 1 DC H1' 1 1 DC H3' 3.440 2.750 4.130 3.675 3.587 3.730 . 0 0 "[ . ]" 1
4 1 1 DC H1' 1 1 DC H6 3.290 2.630 3.950 3.615 3.594 3.636 . 0 0 "[ . ]" 1
5 1 1 DC H1' 1 2 DT H6 3.960 3.170 4.750 4.641 4.059 4.804 0.054 2 0 "[ . ]" 1
6 1 1 DC H2'' 1 1 DC H6 2.460 . 2.950 3.165 3.089 3.234 0.284 5 0 "[ . ]" 1
7 1 1 DC H3' 1 1 DC H6 3.350 2.680 4.020 4.083 4.003 4.189 0.169 3 0 "[ . ]" 1
8 1 1 DC H3' 1 2 DT H6 3.340 2.670 4.010 3.893 3.702 4.127 0.117 3 0 "[ . ]" 1
9 1 2 DT H1' 1 2 DT H2' 2.570 2.060 3.080 2.999 2.977 3.013 . 0 0 "[ . ]" 1
10 1 2 DT H1' 1 2 DT H2'' 2.270 . 2.720 2.207 2.149 2.252 . 0 0 "[ . ]" 1
11 1 2 DT H1' 1 2 DT H3' 3.440 2.750 4.130 3.563 3.457 3.600 . 0 0 "[ . ]" 1
12 1 2 DT H1' 1 2 DT H6 3.290 2.630 3.950 3.615 3.521 3.698 . 0 0 "[ . ]" 1
13 1 2 DT H1' 1 3 DC H5 3.120 2.500 3.740 3.793 3.611 3.882 0.142 5 0 "[ . ]" 1
14 1 2 DT H1' 1 3 DC H6 3.770 3.020 4.520 3.674 3.547 3.876 . 0 0 "[ . ]" 1
15 1 2 DT H3' 1 2 DT H6 3.360 2.690 4.030 4.212 4.106 4.268 0.238 4 0 "[ . ]" 1
16 1 2 DT H3' 1 3 DC H5 4.100 3.280 4.920 4.722 4.628 4.797 . 0 0 "[ . ]" 1
17 1 2 DT H3' 1 3 DC H6 3.980 3.180 4.780 4.839 4.701 4.934 0.154 6 0 "[ . ]" 1
18 1 3 DC H1' 1 3 DC H2' 3.430 2.740 3.620 3.167 3.132 3.216 . 0 0 "[ . ]" 1
19 1 3 DC H1' 1 3 DC H2'' 2.360 . 2.830 2.431 2.411 2.455 . 0 0 "[ . ]" 1
20 1 3 DC H1' 1 3 DC H3' 3.730 2.980 4.480 3.898 3.852 3.947 . 0 0 "[ . ]" 1
21 1 3 DC H1' 1 3 DC H6 3.270 2.620 3.920 3.754 3.743 3.765 . 0 0 "[ . ]" 1
22 1 3 DC H1' 1 4 DG H8 3.870 3.100 4.640 4.691 4.652 4.757 0.117 4 0 "[ . ]" 1
23 1 3 DC H2' 1 3 DC H6 2.190 . 2.630 1.994 1.966 2.020 . 0 0 "[ . ]" 1
24 1 3 DC H2' 1 4 DG H8 3.770 3.020 4.520 3.520 3.446 3.657 . 0 0 "[ . ]" 1
25 1 3 DC H3' 1 3 DC H5 3.560 2.850 4.270 4.637 4.594 4.696 0.426 3 0 "[ . ]" 1
26 1 3 DC H3' 1 4 DG H8 4.140 3.310 4.970 5.025 4.975 5.076 0.106 5 0 "[ . ]" 1
27 1 4 DG H1' 1 4 DG H2' 2.360 . 2.830 2.948 2.934 2.973 0.143 4 0 "[ . ]" 1
28 1 4 DG H1' 1 4 DG H2'' 2.810 2.250 3.370 2.559 2.533 2.587 . 0 0 "[ . ]" 1
29 1 4 DG H1' 1 4 DG H3' 3.450 2.760 4.140 3.503 3.451 3.558 . 0 0 "[ . ]" 1
30 1 4 DG H1' 1 4 DG H8 4.150 3.320 4.980 3.846 3.809 3.880 . 0 0 "[ . ]" 1
31 1 4 DG H2' 1 4 DG H8 2.840 2.270 3.410 2.438 2.366 2.558 . 0 0 "[ . ]" 1
32 1 4 DG H2'' 1 4 DG H8 2.310 . 2.770 2.687 2.519 2.885 0.115 1 0 "[ . ]" 1
33 1 4 DG H3' 1 4 DG H8 3.570 2.860 4.280 4.563 4.516 4.590 0.310 3 0 "[ . ]" 1
34 1 5 DG H1' 1 5 DG H2' 2.300 . 2.760 2.872 2.836 2.908 0.148 5 0 "[ . ]" 1
35 1 5 DG H1' 1 5 DG H2'' 2.720 2.180 3.260 2.396 2.379 2.422 . 0 0 "[ . ]" 1
36 1 5 DG H1' 1 5 DG H8 3.830 3.060 4.600 3.956 3.907 3.983 . 0 0 "[ . ]" 1
37 1 5 DG H3' 1 5 DG H8 4.030 3.220 4.840 4.160 3.868 4.586 . 0 0 "[ . ]" 1
38 1 5 DG H3' 1 6 DC H6 2.720 2.180 3.260 2.748 2.639 2.829 . 0 0 "[ . ]" 1
39 1 6 DC H1' 1 6 DC H3' 3.350 2.680 4.020 3.674 3.616 3.789 . 0 0 "[ . ]" 1
40 1 6 DC H3' 1 6 DC H6 3.850 3.080 4.620 4.136 3.654 4.675 0.055 1 0 "[ . ]" 1
41 1 7 DG H1' 1 7 DG H2'' 2.300 . 2.760 2.306 2.271 2.331 . 0 0 "[ . ]" 1
42 1 7 DG H1' 1 7 DG H3' 3.340 2.670 4.010 3.625 3.568 3.655 . 0 0 "[ . ]" 1
43 1 7 DG H1' 1 7 DG H4' 3.290 2.630 3.950 3.308 3.256 3.402 . 0 0 "[ . ]" 1
44 1 7 DG H1' 1 8 DC H5 2.660 2.130 3.190 2.838 2.730 2.992 . 0 0 "[ . ]" 1
45 1 7 DG H1' 1 8 DC H6 2.870 2.300 3.440 2.758 2.659 2.803 . 0 0 "[ . ]" 1
46 1 7 DG H2' 1 8 DC H5 2.980 2.380 3.580 3.812 3.763 3.911 0.331 6 0 "[ . ]" 1
47 1 7 DG H2'' 1 8 DC H5 2.480 . 2.980 2.318 2.286 2.343 . 0 0 "[ . ]" 1
48 1 8 DC H1' 1 8 DC H2' 2.670 2.140 3.200 3.040 3.001 3.062 . 0 0 "[ . ]" 1
49 1 8 DC H1' 1 8 DC H2'' 2.330 . 2.800 2.291 2.244 2.317 . 0 0 "[ . ]" 1
50 1 8 DC H1' 1 8 DC H4' 2.930 2.340 3.520 3.152 2.978 3.226 . 0 0 "[ . ]" 1
51 1 8 DC H2' 1 8 DC H6 2.630 2.100 3.160 2.409 2.337 2.450 . 0 0 "[ . ]" 1
52 1 8 DC H3' 1 8 DC H6 3.320 2.660 3.980 4.049 3.922 4.108 0.128 3 0 "[ . ]" 1
53 1 8 DC H3' 1 9 DC H6 3.350 2.680 4.020 3.834 3.525 4.067 0.047 4 0 "[ . ]" 1
54 1 8 DC H4' 1 8 DC H6 4.070 3.260 4.880 4.185 4.043 4.452 . 0 0 "[ . ]" 1
55 1 9 DC H1' 1 9 DC H2' 2.900 2.320 3.480 3.084 3.048 3.116 . 0 0 "[ . ]" 1
56 1 9 DC H1' 1 9 DC H2'' 2.340 . 2.810 2.348 2.314 2.396 . 0 0 "[ . ]" 1
57 1 9 DC H1' 1 9 DC H3' 3.630 2.900 4.360 3.766 3.750 3.790 . 0 0 "[ . ]" 1
58 1 9 DC H1' 1 9 DC H6 3.550 2.840 4.260 3.683 3.662 3.700 . 0 0 "[ . ]" 1
59 1 9 DC H1' 1 10 DA H8 3.580 2.860 4.300 3.894 3.764 3.993 . 0 0 "[ . ]" 1
60 1 9 DC H2' 1 10 DA H8 3.410 2.730 4.090 3.770 3.578 3.949 . 0 0 "[ . ]" 1
61 1 9 DC H2'' 1 9 DC H6 2.810 2.250 3.370 3.467 3.446 3.495 0.125 1 0 "[ . ]" 1
62 1 9 DC H2'' 1 10 DA H8 3.080 2.460 3.700 2.889 2.794 2.972 . 0 0 "[ . ]" 1
63 1 9 DC H3' 1 9 DC H6 3.180 2.540 3.820 3.986 3.916 4.019 0.199 2 0 "[ . ]" 1
64 1 10 DA H1' 1 10 DA H2 4.830 3.860 5.800 4.590 4.513 4.724 . 0 0 "[ . ]" 1
65 1 10 DA H1' 1 10 DA H3' 3.310 2.650 3.970 3.759 3.693 3.801 . 0 0 "[ . ]" 1
66 1 10 DA H1' 1 11 DT H6 3.320 2.660 3.980 3.886 3.757 4.121 0.141 5 0 "[ . ]" 1
67 1 10 DA H2 1 11 DT H1' 3.990 3.190 4.790 3.899 3.781 4.050 . 0 0 "[ . ]" 1
68 1 10 DA H2' 1 11 DT H6 2.930 2.340 3.520 3.097 3.010 3.391 . 0 0 "[ . ]" 1
69 1 10 DA H2'' 1 11 DT H6 2.550 2.040 3.060 2.364 2.265 2.402 . 0 0 "[ . ]" 1
70 1 10 DA H3' 1 10 DA H8 3.550 2.840 4.260 4.015 3.877 4.263 0.003 5 0 "[ . ]" 1
71 1 10 DA H3' 1 11 DT H6 3.890 3.110 4.670 4.753 4.504 4.842 0.172 1 0 "[ . ]" 1
72 1 10 DA H8 1 11 DT H6 4.630 3.700 5.560 4.693 4.544 5.149 . 0 0 "[ . ]" 1
73 1 11 DT H1' 1 11 DT H2' 2.520 2.020 3.020 2.943 2.918 2.994 . 0 0 "[ . ]" 1
74 1 11 DT H1' 1 11 DT H3' 3.290 2.630 3.950 3.686 3.644 3.792 . 0 0 "[ . ]" 1
75 1 11 DT H1' 1 11 DT H6 3.480 2.780 4.180 3.675 3.632 3.716 . 0 0 "[ . ]" 1
76 1 11 DT H2' 1 11 DT H6 2.260 . 2.710 2.180 2.156 2.216 . 0 0 "[ . ]" 1
77 1 11 DT H2' 1 12 DC H6 2.910 2.330 3.490 3.358 3.152 3.525 0.035 1 0 "[ . ]" 1
78 1 11 DT H2'' 1 11 DT H6 2.940 2.350 3.530 3.608 3.589 3.626 0.096 5 0 "[ . ]" 1
79 1 11 DT H2'' 1 12 DC H6 2.710 2.170 3.250 2.379 2.320 2.415 . 0 0 "[ . ]" 1
80 1 11 DT H3' 1 11 DT H6 3.090 2.470 3.710 3.620 3.454 3.762 0.052 5 0 "[ . ]" 1
81 1 11 DT H3' 1 12 DC H6 3.610 2.890 4.330 4.326 4.189 4.510 0.180 1 0 "[ . ]" 1
82 1 12 DC H1' 1 12 DC H3' 3.670 2.940 4.400 3.916 3.892 3.939 . 0 0 "[ . ]" 1
83 1 12 DC H3' 1 12 DC H6 2.890 2.310 3.470 3.699 3.661 3.722 0.252 5 0 "[ . ]" 1
84 2 1 DG H1' 2 1 DG H2' 2.980 2.380 3.580 3.082 3.062 3.102 . 0 0 "[ . ]" 1
85 2 1 DG H1' 2 1 DG H2'' 2.310 . 2.770 2.324 2.288 2.348 . 0 0 "[ . ]" 1
86 2 1 DG H1' 2 1 DG H3' 3.550 2.840 4.260 3.628 3.576 3.702 . 0 0 "[ . ]" 1
87 2 1 DG H1' 2 1 DG H8 3.420 2.740 4.100 3.834 3.810 3.858 . 0 0 "[ . ]" 1
88 2 1 DG H1' 2 2 DA H8 3.210 2.570 3.850 3.414 3.289 3.538 . 0 0 "[ . ]" 1
89 2 1 DG H2' 2 1 DG H8 2.550 2.040 3.060 2.348 2.332 2.365 . 0 0 "[ . ]" 1
90 2 1 DG H2' 2 2 DA H8 3.340 2.670 4.010 4.091 3.969 4.202 0.192 3 0 "[ . ]" 1
91 2 1 DG H2'' 2 1 DG H8 2.680 2.140 3.220 3.220 3.056 3.299 0.079 4 0 "[ . ]" 1
92 2 1 DG H3' 2 1 DG H8 3.810 3.050 4.570 4.736 4.704 4.760 0.190 5 0 "[ . ]" 1
93 2 2 DA H1' 2 2 DA H2 3.900 3.120 4.680 4.263 4.164 4.332 . 0 0 "[ . ]" 1
94 2 2 DA H1' 2 2 DA H3' 3.370 2.700 4.040 3.767 3.727 3.824 . 0 0 "[ . ]" 1
95 2 2 DA H1' 2 3 DT H6 3.200 2.560 3.840 3.669 3.549 3.776 . 0 0 "[ . ]" 1
96 2 2 DA H2 2 3 DT H1' 4.200 3.360 5.040 4.227 3.924 4.473 . 0 0 "[ . ]" 1
97 2 2 DA Q2' 2 3 DT H6 2.970 2.380 3.070 2.506 2.250 3.265 0.195 2 0 "[ . ]" 1
98 2 2 DA H3' 2 2 DA H8 3.700 2.960 4.440 4.497 4.477 4.546 0.106 2 0 "[ . ]" 1
99 2 2 DA H3' 2 3 DT H6 4.110 3.290 4.930 5.000 4.746 5.337 0.407 2 0 "[ . ]" 1
100 2 2 DA H4' 2 2 DA H8 5.080 4.060 6.100 5.096 5.005 5.252 . 0 0 "[ . ]" 1
101 2 2 DA H8 2 3 DT H6 4.560 3.650 5.470 5.007 4.561 5.993 0.523 2 1 "[ + . ]" 1
102 2 3 DT H1' 2 3 DT H2' 2.960 2.370 3.550 3.084 3.034 3.159 . 0 0 "[ . ]" 1
103 2 3 DT H1' 2 3 DT H3' 3.450 2.760 4.140 3.652 3.493 3.763 . 0 0 "[ . ]" 1
104 2 3 DT H1' 2 3 DT H6 3.430 2.740 4.120 3.669 3.410 3.778 . 0 0 "[ . ]" 1
105 2 3 DT H1' 2 4 DG H8 3.810 3.050 4.570 4.203 3.595 4.520 . 0 0 "[ . ]" 1
106 2 3 DT H2' 2 3 DT H6 2.260 . 2.710 2.159 1.455 2.512 0.355 2 0 "[ . ]" 1
107 2 3 DT H2' 2 4 DG H8 3.360 2.690 4.030 3.964 3.420 4.794 0.764 1 2 "[+ -. ]" 1
108 2 3 DT H2'' 2 3 DT H6 3.010 2.410 3.610 3.122 2.395 3.709 0.099 5 0 "[ . ]" 1
109 2 3 DT H3' 2 3 DT H6 3.240 2.590 3.890 3.977 3.593 4.248 0.358 1 0 "[ . ]" 1
110 2 3 DT H3' 2 4 DG H8 3.860 3.090 4.630 4.751 4.656 4.806 0.176 3 0 "[ . ]" 1
111 2 3 DT H6 2 4 DG H8 4.090 3.270 4.910 4.724 4.316 4.977 0.067 5 0 "[ . ]" 1
112 2 4 DG H1' 2 4 DG H2' 2.720 2.180 3.260 3.045 3.025 3.052 . 0 0 "[ . ]" 1
113 2 4 DG H1' 2 4 DG H2'' 2.380 . 2.860 2.370 2.320 2.416 . 0 0 "[ . ]" 1
114 2 4 DG H1' 2 4 DG H3' 3.220 2.580 3.860 3.605 3.547 3.678 . 0 0 "[ . ]" 1
115 2 4 DG H1' 2 4 DG H8 3.520 2.820 4.220 3.831 3.809 3.883 . 0 0 "[ . ]" 1
116 2 4 DG H2' 2 4 DG H8 2.380 . 2.860 2.254 2.231 2.276 . 0 0 "[ . ]" 1
117 2 4 DG H2'' 2 4 DG H8 2.830 2.260 3.400 3.210 3.095 3.379 . 0 0 "[ . ]" 1
118 2 4 DG H3' 2 4 DG H8 3.600 2.880 4.320 4.545 4.487 4.576 0.256 4 0 "[ . ]" 1
119 2 5 DG H1' 2 5 DG H3' 3.220 2.580 3.860 3.666 3.605 3.788 . 0 0 "[ . ]" 1
120 2 5 DG H1' 2 5 DG H4' 2.860 2.290 3.430 3.114 2.863 3.374 . 0 0 "[ . ]" 1
121 2 5 DG H1' 2 5 DG H8 3.430 2.740 4.120 3.647 3.595 3.702 . 0 0 "[ . ]" 1
122 2 5 DG H3' 2 5 DG H8 3.650 2.920 4.380 3.336 3.188 3.569 . 0 0 "[ . ]" 1
123 2 5 DG H3' 2 6 DC H6 3.500 2.800 4.200 3.489 3.334 3.703 . 0 0 "[ . ]" 1
124 2 6 DC H1' 2 6 DC H3' 3.380 2.700 4.060 3.616 3.543 3.723 . 0 0 "[ . ]" 1
125 2 6 DC H3' 2 6 DC H6 3.540 2.830 4.250 4.260 3.805 4.395 0.145 4 0 "[ . ]" 1
126 2 7 DC H1' 2 7 DC H2' 2.860 2.290 3.430 3.092 3.068 3.103 . 0 0 "[ . ]" 1
127 2 7 DC H1' 2 7 DC H2'' 2.380 . 2.860 2.425 2.394 2.466 . 0 0 "[ . ]" 1
128 2 7 DC H1' 2 7 DC H3' 3.760 3.010 4.510 3.796 3.754 3.858 . 0 0 "[ . ]" 1
129 2 7 DC H1' 2 7 DC H6 3.550 2.840 4.260 3.776 3.761 3.797 . 0 0 "[ . ]" 1
130 2 7 DC H1' 2 8 DG H8 3.850 3.080 4.620 4.168 3.690 4.716 0.096 5 0 "[ . ]" 1
131 2 7 DC H3' 2 8 DG H8 4.740 3.790 5.690 5.437 5.082 5.701 0.011 2 0 "[ . ]" 1
132 2 7 DC H6 2 8 DG H8 4.120 3.300 4.940 4.444 3.886 4.882 . 0 0 "[ . ]" 1
133 2 8 DG H1' 2 8 DG H3' 3.300 2.640 3.960 3.613 3.541 3.682 . 0 0 "[ . ]" 1
134 2 8 DG H1' 2 8 DG H8 3.500 2.800 4.200 3.774 3.694 3.849 . 0 0 "[ . ]" 1
135 2 8 DG H1' 2 9 DA H8 3.220 2.580 3.860 3.377 3.172 3.638 . 0 0 "[ . ]" 1
136 2 8 DG H3' 2 8 DG H8 3.900 3.120 4.680 4.740 4.716 4.773 0.093 3 0 "[ . ]" 1
137 2 8 DG H3' 2 9 DA H8 5.000 4.000 6.000 4.928 4.589 5.268 . 0 0 "[ . ]" 1
138 2 9 DA H1' 2 9 DA H2 4.540 3.630 5.450 4.588 4.495 4.645 . 0 0 "[ . ]" 1
139 2 9 DA H1' 2 9 DA H2' 2.570 2.060 3.080 3.012 2.983 3.033 . 0 0 "[ . ]" 1
140 2 9 DA H1' 2 9 DA H2'' 2.280 . 2.740 2.258 2.237 2.281 . 0 0 "[ . ]" 1
141 2 9 DA H1' 2 9 DA H3' 3.280 2.620 3.940 3.640 3.560 3.679 . 0 0 "[ . ]" 1
142 2 9 DA H1' 2 9 DA H4' 2.870 2.300 3.440 3.106 2.926 3.215 . 0 0 "[ . ]" 1
143 2 9 DA H1' 2 9 DA H8 3.700 2.960 4.440 3.909 3.875 3.934 . 0 0 "[ . ]" 1
144 2 9 DA H1' 2 10 DG H8 3.520 2.820 4.220 4.124 3.912 4.319 0.099 2 0 "[ . ]" 1
145 2 9 DA H2' 2 9 DA H8 2.240 . 2.690 2.240 2.222 2.250 . 0 0 "[ . ]" 1
146 2 9 DA H2' 2 10 DG H8 3.060 2.450 3.670 3.615 3.340 3.771 0.101 4 0 "[ . ]" 1
147 2 9 DA H2'' 2 9 DA H8 3.000 2.400 3.600 3.559 3.383 3.625 0.025 3 0 "[ . ]" 1
148 2 9 DA H2'' 2 10 DG H8 2.710 2.170 3.250 2.541 2.464 2.578 . 0 0 "[ . ]" 1
149 2 9 DA H3' 2 9 DA H8 3.780 3.020 4.540 4.541 4.516 4.577 0.037 1 0 "[ . ]" 1
150 2 9 DA H3' 2 10 DG H8 4.310 3.450 5.170 5.032 4.899 5.180 0.010 6 0 "[ . ]" 1
151 2 9 DA H8 2 10 DG H8 3.930 3.140 4.720 4.462 4.192 4.725 0.005 4 0 "[ . ]" 1
152 2 10 DG H1' 2 10 DG H3' 3.400 2.720 4.080 3.672 3.626 3.701 . 0 0 "[ . ]" 1
153 2 10 DG H1' 2 10 DG H8 3.330 2.660 4.000 3.712 3.655 3.762 . 0 0 "[ . ]" 1
154 2 10 DG H3' 2 10 DG H8 3.580 2.860 4.300 4.502 4.478 4.530 0.230 6 0 "[ . ]" 1
stop_
save_
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