NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
368625 |
1ax7   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ax7
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 157
_Distance_constraint_stats_list.Viol_count 216
_Distance_constraint_stats_list.Viol_total 154.283
_Distance_constraint_stats_list.Viol_max 0.728
_Distance_constraint_stats_list.Viol_rms 0.0656
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0273
_Distance_constraint_stats_list.Viol_average_violations_only 0.1190
_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 DA 0.252 0.070 6 0 "[ . ]"
1 2 DA 1.923 0.253 4 0 "[ . ]"
1 3 DC 0.720 0.155 1 0 "[ . ]"
1 4 DG 1.985 0.224 1 0 "[ . ]"
1 5 DC 2.113 0.224 1 0 "[ . ]"
1 6 DT 0.000 0.000 . 0 "[ . ]"
1 7 DA 5.182 0.728 5 1 "[ + ]"
1 8 DC 3.883 0.273 2 0 "[ . ]"
1 9 DC 0.950 0.177 4 0 "[ . ]"
1 10 DA 2.570 0.294 1 0 "[ . ]"
1 11 DT 1.795 0.156 4 0 "[ . ]"
1 12 DC 1.382 0.156 4 0 "[ . ]"
1 13 DC 2.009 0.381 1 0 "[ . ]"
2 1 DG 0.000 0.000 . 0 "[ . ]"
2 2 DG 0.455 0.093 1 0 "[ . ]"
2 3 DA 2.637 0.230 5 0 "[ . ]"
2 4 DT 2.292 0.230 5 0 "[ . ]"
2 5 DG 0.109 0.045 5 0 "[ . ]"
2 6 DG 1.325 0.213 6 0 "[ . ]"
2 7 DT 3.326 0.238 4 0 "[ . ]"
2 8 DA 2.837 0.258 6 0 "[ . ]"
2 9 DG 0.998 0.258 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 DA H1' 1 1 DA H2' 3.070 2.460 3.680 3.114 3.086 3.136 . 0 0 "[ . ]" 1
2 1 1 DA H1' 1 1 DA H2'' 2.630 2.100 3.160 2.682 2.660 2.723 . 0 0 "[ . ]" 1
3 1 1 DA H1' 1 1 DA H3' 3.830 3.060 4.600 4.018 3.896 4.105 . 0 0 "[ . ]" 1
4 1 1 DA H1' 1 1 DA H8 2.930 2.340 3.520 3.127 3.080 3.223 . 0 0 "[ . ]" 1
5 1 1 DA H1' 1 2 DA H8 5.330 4.260 6.400 6.012 5.839 6.088 . 0 0 "[ . ]" 1
6 1 1 DA H2' 1 1 DA H8 3.410 2.730 4.090 3.986 3.587 4.160 0.070 6 0 "[ . ]" 1
7 1 1 DA H2' 1 2 DA H8 3.860 3.090 4.630 4.161 3.695 4.595 . 0 0 "[ . ]" 1
8 1 1 DA H2'' 1 2 DA H8 3.350 2.680 4.020 3.402 3.301 3.487 . 0 0 "[ . ]" 1
9 1 1 DA H3' 1 1 DA H8 4.890 3.910 5.870 5.517 5.152 5.692 . 0 0 "[ . ]" 1
10 1 1 DA H3' 1 2 DA H8 4.040 3.230 4.850 4.350 3.968 4.791 . 0 0 "[ . ]" 1
11 1 2 DA H1' 1 2 DA H2 4.170 3.340 5.000 4.208 4.193 4.233 . 0 0 "[ . ]" 1
12 1 2 DA H1' 1 2 DA H2' 2.790 2.230 3.350 2.896 2.853 2.923 . 0 0 "[ . ]" 1
13 1 2 DA H1' 1 2 DA H2'' 2.490 . 2.990 2.437 2.407 2.474 . 0 0 "[ . ]" 1
14 1 2 DA H1' 1 2 DA H4' 3.540 2.830 4.250 3.484 3.385 3.539 . 0 0 "[ . ]" 1
15 1 2 DA H1' 1 2 DA H8 3.650 2.920 4.380 3.594 3.548 3.639 . 0 0 "[ . ]" 1
16 1 2 DA H2' 1 2 DA H8 2.410 . 2.890 2.361 2.328 2.390 . 0 0 "[ . ]" 1
17 1 2 DA H2'' 1 2 DA H8 3.070 2.460 3.680 3.881 3.850 3.933 0.253 4 0 "[ . ]" 1
18 1 2 DA H2'' 1 3 DC H5 3.790 3.030 4.550 4.608 4.529 4.705 0.155 1 0 "[ . ]" 1
19 1 2 DA H3' 1 2 DA H8 3.670 2.940 4.400 3.395 3.288 3.479 . 0 0 "[ . ]" 1
20 1 2 DA H3' 1 3 DC H5 3.230 2.580 3.880 3.915 3.768 3.965 0.085 3 0 "[ . ]" 1
21 1 2 DA H3' 1 3 DC H6 2.960 2.370 3.550 3.228 3.078 3.578 0.028 4 0 "[ . ]" 1
22 1 3 DC H1' 1 3 DC H2' 2.850 2.280 3.420 3.048 3.029 3.064 . 0 0 "[ . ]" 1
23 1 3 DC H1' 1 3 DC H2'' 2.210 . 2.650 2.242 2.211 2.260 . 0 0 "[ . ]" 1
24 1 3 DC H1' 1 3 DC H3' 3.620 2.900 4.340 3.774 3.735 3.847 . 0 0 "[ . ]" 1
25 1 3 DC H3' 1 3 DC H6 4.030 3.220 4.840 4.623 4.484 4.735 . 0 0 "[ . ]" 1
26 1 4 DG H1' 1 4 DG H2'' 2.360 . 2.830 2.123 2.082 2.151 . 0 0 "[ . ]" 1
27 1 4 DG H1' 1 4 DG H3' 3.480 2.780 4.180 3.863 3.722 4.096 . 0 0 "[ . ]" 1
28 1 4 DG H1' 1 5 DC H4' 3.110 2.490 3.730 3.855 3.697 3.953 0.223 5 0 "[ . ]" 1
29 1 4 DG H1' 1 5 DC H5 2.780 2.220 3.340 3.488 3.449 3.564 0.224 1 0 "[ . ]" 1
30 1 4 DG H1' 1 5 DC H6 2.840 . 3.690 2.615 2.534 2.661 . 0 0 "[ . ]" 1
31 1 4 DG H2' 1 5 DC H5 3.480 2.780 4.180 4.204 4.100 4.359 0.179 1 0 "[ . ]" 1
32 1 4 DG H2' 1 5 DC H6 3.960 3.170 4.750 4.645 4.573 4.705 . 0 0 "[ . ]" 1
33 1 4 DG H2'' 1 5 DC H5 2.590 2.070 3.110 2.510 2.460 2.579 . 0 0 "[ . ]" 1
34 1 4 DG H2'' 1 5 DC H6 2.760 2.210 3.310 2.869 2.737 3.083 . 0 0 "[ . ]" 1
35 1 4 DG H3' 1 5 DC H6 4.840 3.870 5.810 5.082 4.454 5.296 . 0 0 "[ . ]" 1
36 1 4 DG H4' 1 5 DC H5 5.260 3.990 6.530 5.909 5.064 6.435 . 0 0 "[ . ]" 1
37 1 5 DC H1' 1 5 DC H2' 2.780 2.220 3.340 3.023 2.798 3.130 . 0 0 "[ . ]" 1
38 1 5 DC H2' 1 5 DC H6 2.620 2.100 3.140 2.689 2.482 3.268 0.128 3 0 "[ . ]" 1
39 1 5 DC H4' 1 5 DC H6 3.390 2.710 4.070 3.690 3.512 3.791 . 0 0 "[ . ]" 1
40 1 6 DT H1' 1 6 DT H2' 2.730 2.180 3.280 3.059 3.043 3.070 . 0 0 "[ . ]" 1
41 1 6 DT H1' 1 6 DT H3' 3.360 2.690 4.030 3.641 3.559 3.762 . 0 0 "[ . ]" 1
42 1 6 DT H1' 1 6 DT H6 3.460 2.770 4.150 3.721 3.650 3.780 . 0 0 "[ . ]" 1
43 1 6 DT H1' 1 7 DA H8 3.630 2.900 4.360 3.827 3.589 3.979 . 0 0 "[ . ]" 1
44 1 7 DA H1' 1 7 DA H2' 2.680 2.140 3.220 3.093 2.888 3.170 . 0 0 "[ . ]" 1
45 1 7 DA H1' 1 7 DA H2'' 2.390 . 2.870 2.289 2.254 2.326 . 0 0 "[ . ]" 1
46 1 7 DA H1' 1 7 DA H3' 3.320 2.660 3.980 3.720 3.611 3.801 . 0 0 "[ . ]" 1
47 1 7 DA H1' 1 7 DA H8 3.750 3.000 4.500 3.891 3.781 3.948 . 0 0 "[ . ]" 1
48 1 7 DA H1' 1 8 DC H5 4.100 3.280 4.920 4.454 4.223 4.920 0.000 5 0 "[ . ]" 1
49 1 7 DA H1' 1 8 DC H6 3.220 2.580 3.860 3.553 3.224 3.922 0.062 2 0 "[ . ]" 1
50 1 7 DA H2' 1 7 DA H8 3.330 2.660 4.000 2.822 2.775 2.854 . 0 0 "[ . ]" 1
51 1 7 DA H2' 1 8 DC H6 3.020 2.420 3.620 3.610 2.901 3.849 0.229 4 0 "[ . ]" 1
52 1 7 DA H2'' 1 7 DA H8 2.890 2.310 3.470 3.782 3.666 4.198 0.728 5 1 "[ + ]" 1
53 1 7 DA H2'' 1 8 DC H6 2.620 2.100 3.140 2.434 2.362 2.602 . 0 0 "[ . ]" 1
54 1 7 DA H3' 1 7 DA H8 3.500 3.460 4.200 4.363 4.170 4.472 0.272 1 0 "[ . ]" 1
55 1 7 DA H3' 1 8 DC H6 3.990 3.190 4.790 5.037 5.015 5.063 0.273 2 0 "[ . ]" 1
56 1 7 DA H4' 1 7 DA H8 4.970 3.980 5.960 5.049 4.951 5.174 . 0 0 "[ . ]" 1
57 1 7 DA H8 1 8 DC H5 3.720 2.980 4.460 3.955 3.800 4.053 . 0 0 "[ . ]" 1
58 1 7 DA H8 1 8 DC H6 4.430 3.680 5.320 5.181 4.558 5.367 0.047 2 0 "[ . ]" 1
59 1 8 DC H1' 1 8 DC H3' 3.450 3.030 4.140 3.915 3.874 3.965 . 0 0 "[ . ]" 1
60 1 8 DC H1' 1 8 DC H6 3.550 2.840 4.260 3.698 3.627 3.756 . 0 0 "[ . ]" 1
61 1 8 DC H1' 1 9 DC H6 3.670 2.940 4.400 4.147 3.796 4.406 0.006 6 0 "[ . ]" 1
62 1 8 DC H2' 1 8 DC H6 2.340 . 2.810 2.204 2.193 2.216 . 0 0 "[ . ]" 1
63 1 8 DC H2'' 1 8 DC H6 2.990 2.390 3.590 3.694 3.642 3.747 0.157 4 0 "[ . ]" 1
64 1 8 DC H3' 1 8 DC H6 3.430 2.740 4.120 4.152 4.007 4.240 0.120 2 0 "[ . ]" 1
65 1 8 DC H3' 1 9 DC H6 3.870 3.100 4.640 4.732 4.591 4.817 0.177 4 0 "[ . ]" 1
66 1 8 DC H4' 1 8 DC H6 3.730 2.980 4.480 4.245 4.074 4.410 . 0 0 "[ . ]" 1
67 1 8 DC H5 1 9 DC H5 3.740 2.990 4.490 3.878 3.747 3.999 . 0 0 "[ . ]" 1
68 1 8 DC H6 1 9 DC H5 3.600 2.880 4.320 3.822 3.703 3.975 . 0 0 "[ . ]" 1
69 1 9 DC H1' 1 9 DC H2' 2.880 2.300 3.460 3.117 3.106 3.129 . 0 0 "[ . ]" 1
70 1 9 DC H1' 1 9 DC H3' 4.110 3.290 4.930 3.704 3.672 3.733 . 0 0 "[ . ]" 1
71 1 9 DC H1' 1 10 DA H8 3.450 2.760 4.140 3.646 3.541 3.895 . 0 0 "[ . ]" 1
72 1 9 DC H3' 1 10 DA H8 4.190 3.350 5.030 5.061 5.004 5.092 0.062 1 0 "[ . ]" 1
73 1 9 DC H6 1 10 DA H8 4.470 3.580 5.360 5.146 4.882 5.490 0.130 4 0 "[ . ]" 1
74 1 10 DA H1' 1 10 DA H3' 3.350 2.680 4.020 3.631 3.598 3.692 . 0 0 "[ . ]" 1
75 1 10 DA H1' 1 10 DA H8 3.700 2.960 4.440 3.865 3.837 3.888 . 0 0 "[ . ]" 1
76 1 10 DA H1' 1 11 DT H6 3.310 2.650 3.970 3.355 3.255 3.475 . 0 0 "[ . ]" 1
77 1 10 DA H2' 1 10 DA H8 3.180 2.540 3.820 2.718 2.686 2.744 . 0 0 "[ . ]" 1
78 1 10 DA H2'' 1 10 DA H8 2.950 2.360 3.540 3.460 3.373 3.558 0.018 6 0 "[ . ]" 1
79 1 10 DA H2'' 1 11 DT H6 2.570 2.060 3.080 2.451 2.357 2.492 . 0 0 "[ . ]" 1
80 1 10 DA H3' 1 10 DA H8 3.600 2.880 4.320 4.588 4.555 4.614 0.294 1 0 "[ . ]" 1
81 1 10 DA H3' 1 11 DT H6 3.910 3.130 4.690 4.764 4.746 4.787 0.097 1 0 "[ . ]" 1
82 1 10 DA H4' 1 10 DA H8 4.510 3.610 5.410 5.127 5.026 5.204 . 0 0 "[ . ]" 1
83 1 10 DA H8 1 11 DT H6 4.310 3.450 5.170 5.151 5.069 5.275 0.105 4 0 "[ . ]" 1
84 1 11 DT H1' 1 11 DT H2' 2.740 2.190 3.290 3.004 2.928 3.040 . 0 0 "[ . ]" 1
85 1 11 DT H1' 1 11 DT H3' 3.270 2.620 3.920 3.708 3.641 3.757 . 0 0 "[ . ]" 1
86 1 11 DT H1' 1 11 DT H6 3.470 2.780 4.160 3.691 3.662 3.720 . 0 0 "[ . ]" 1
87 1 11 DT H1' 1 12 DC H6 3.300 2.640 3.960 4.027 3.928 4.094 0.134 1 0 "[ . ]" 1
88 1 11 DT H2' 1 12 DC H6 2.920 2.340 3.500 3.255 3.165 3.389 . 0 0 "[ . ]" 1
89 1 11 DT H3' 1 11 DT H6 3.070 2.460 3.680 3.655 3.526 3.786 0.106 5 0 "[ . ]" 1
90 1 11 DT H4' 1 11 DT H6 3.800 3.040 4.560 4.554 4.493 4.607 0.047 4 0 "[ . ]" 1
91 1 11 DT H6 1 12 DC H6 3.990 3.190 4.790 4.826 4.563 4.946 0.156 4 0 "[ . ]" 1
92 1 12 DC H1' 1 12 DC H3' 3.440 2.750 4.130 3.663 3.628 3.712 . 0 0 "[ . ]" 1
93 1 12 DC H1' 1 12 DC H6 3.440 2.750 4.130 3.715 3.655 3.748 . 0 0 "[ . ]" 1
94 1 12 DC H2' 1 12 DC H6 2.310 . 2.770 2.112 2.065 2.168 . 0 0 "[ . ]" 1
95 1 12 DC H3' 1 13 DC H6 3.620 2.900 4.340 4.416 4.373 4.447 0.107 4 0 "[ . ]" 1
96 1 13 DC H1' 1 13 DC H6 3.310 2.650 3.970 3.719 3.692 3.751 . 0 0 "[ . ]" 1
97 1 13 DC H3' 1 13 DC H6 2.860 2.290 3.430 3.688 3.578 3.811 0.381 1 0 "[ . ]" 1
98 2 1 DG H2' 2 1 DG H8 2.570 2.060 3.080 2.602 2.451 2.739 . 0 0 "[ . ]" 1
99 2 2 DG H1' 2 2 DG H2'' 2.370 . 2.840 2.310 2.288 2.345 . 0 0 "[ . ]" 1
100 2 2 DG H1' 2 2 DG H3' 3.200 2.560 3.840 3.572 3.546 3.602 . 0 0 "[ . ]" 1
101 2 2 DG H1' 2 3 DA H8 3.090 2.470 3.710 3.152 3.065 3.228 . 0 0 "[ . ]" 1
102 2 2 DG H2'' 2 2 DG H8 3.000 2.400 3.600 3.599 3.544 3.653 0.053 3 0 "[ . ]" 1
103 2 2 DG H2'' 2 3 DA H8 2.740 2.190 3.290 2.698 2.629 2.754 . 0 0 "[ . ]" 1
104 2 2 DG H3' 2 2 DG H8 3.900 3.120 4.680 4.744 4.708 4.773 0.093 1 0 "[ . ]" 1
105 2 2 DG H4' 2 2 DG H8 4.900 3.920 5.880 5.027 4.940 5.182 . 0 0 "[ . ]" 1
106 2 2 DG H8 2 3 DA H8 4.950 3.960 5.940 5.297 5.195 5.440 . 0 0 "[ . ]" 1
107 2 3 DA H1' 2 3 DA H3' 3.370 2.700 4.040 3.774 3.738 3.822 . 0 0 "[ . ]" 1
108 2 3 DA H1' 2 3 DA H8 3.810 3.050 4.570 3.953 3.919 3.999 . 0 0 "[ . ]" 1
109 2 3 DA H1' 2 4 DT H6 3.370 2.700 4.040 3.775 3.664 3.944 . 0 0 "[ . ]" 1
110 2 3 DA H2' 2 4 DT H6 2.880 2.300 3.460 3.521 3.430 3.690 0.230 5 0 "[ . ]" 1
111 2 3 DA H2'' 2 3 DA H8 3.020 2.420 3.620 3.758 3.715 3.782 0.162 1 0 "[ . ]" 1
112 2 3 DA H2'' 2 4 DT H6 2.600 2.080 3.120 2.436 2.420 2.459 . 0 0 "[ . ]" 1
113 2 3 DA H3' 2 3 DA H8 3.570 2.860 4.280 4.348 4.331 4.375 0.095 5 0 "[ . ]" 1
114 2 3 DA H3' 2 4 DT H6 4.020 3.220 4.820 4.987 4.914 5.043 0.223 1 0 "[ . ]" 1
115 2 3 DA H4' 2 3 DA H8 4.890 3.910 5.870 4.797 4.711 4.868 . 0 0 "[ . ]" 1
116 2 3 DA H8 2 4 DT H6 4.730 3.780 5.680 4.690 4.478 5.097 . 0 0 "[ . ]" 1
117 2 4 DT H1' 2 4 DT H2' 2.780 2.220 3.340 3.043 2.995 3.073 . 0 0 "[ . ]" 1
118 2 4 DT H1' 2 4 DT H3' 3.340 2.670 4.010 3.657 3.615 3.719 . 0 0 "[ . ]" 1
119 2 4 DT H1' 2 4 DT H6 3.480 2.780 4.180 3.743 3.621 3.855 . 0 0 "[ . ]" 1
120 2 4 DT H1' 2 5 DG H8 3.840 3.070 4.610 4.158 3.937 4.377 . 0 0 "[ . ]" 1
121 2 4 DT H2' 2 4 DT H6 2.260 . 2.710 2.158 2.057 2.215 . 0 0 "[ . ]" 1
122 2 4 DT H2'' 2 4 DT H6 2.920 2.340 3.500 3.516 3.425 3.568 0.068 4 0 "[ . ]" 1
123 2 4 DT H3' 2 4 DT H6 3.340 2.670 4.010 4.118 4.004 4.226 0.216 5 0 "[ . ]" 1
124 2 4 DT H6 2 5 DG H8 4.390 3.510 5.270 4.567 4.405 4.769 . 0 0 "[ . ]" 1
125 2 5 DG H1' 2 5 DG H3' 3.390 2.710 4.070 3.583 3.511 3.718 . 0 0 "[ . ]" 1
126 2 5 DG H3' 2 6 DG H8 4.260 3.410 5.110 4.968 4.677 5.148 0.038 3 0 "[ . ]" 1
127 2 5 DG H4' 2 5 DG H8 4.310 3.450 5.170 5.132 5.005 5.215 0.045 5 0 "[ . ]" 1
128 2 6 DG H1' 2 6 DG H2'' 2.310 . 2.770 2.236 2.215 2.261 . 0 0 "[ . ]" 1
129 2 6 DG H1' 2 6 DG H8 3.710 2.970 4.450 3.919 3.839 3.972 . 0 0 "[ . ]" 1
130 2 6 DG H1' 2 7 DT H6 3.280 2.620 3.940 3.591 3.247 4.017 0.077 4 0 "[ . ]" 1
131 2 6 DG H3' 2 7 DT H6 3.680 2.940 4.420 4.568 4.501 4.633 0.213 6 0 "[ . ]" 1
132 2 6 DG H4' 2 6 DG H8 4.360 3.490 5.230 4.817 4.710 4.934 . 0 0 "[ . ]" 1
133 2 6 DG H8 2 7 DT H6 4.490 3.590 5.390 5.189 4.570 5.568 0.178 1 0 "[ . ]" 1
134 2 7 DT H1' 2 7 DT H2' 2.800 2.240 3.360 3.078 3.028 3.125 . 0 0 "[ . ]" 1
135 2 7 DT H1' 2 7 DT H3' 3.640 2.910 4.370 3.780 3.714 3.828 . 0 0 "[ . ]" 1
136 2 7 DT H1' 2 7 DT H6 3.360 2.690 4.030 3.755 3.672 3.842 . 0 0 "[ . ]" 1
137 2 7 DT H1' 2 8 DA H8 3.920 3.140 4.700 4.445 3.967 4.765 0.065 2 0 "[ . ]" 1
138 2 7 DT H2' 2 8 DA H8 3.490 2.790 4.190 4.060 3.757 4.385 0.195 5 0 "[ . ]" 1
139 2 7 DT H2'' 2 8 DA H8 3.200 2.560 3.840 2.978 2.942 3.042 . 0 0 "[ . ]" 1
140 2 7 DT H3' 2 7 DT H6 3.340 2.670 4.010 4.124 4.026 4.185 0.175 1 0 "[ . ]" 1
141 2 7 DT H3' 2 8 DA H8 4.330 3.460 5.200 5.370 5.307 5.438 0.238 4 0 "[ . ]" 1
142 2 7 DT H6 2 8 DA H8 5.110 4.090 6.130 5.198 4.756 5.679 . 0 0 "[ . ]" 1
143 2 8 DA H1' 2 8 DA H2' 2.570 2.060 3.080 3.031 2.987 3.068 . 0 0 "[ . ]" 1
144 2 8 DA H1' 2 8 DA H2'' 2.420 . 2.900 2.302 2.225 2.337 . 0 0 "[ . ]" 1
145 2 8 DA H1' 2 8 DA H3' 3.410 2.730 4.090 3.762 3.649 3.855 . 0 0 "[ . ]" 1
146 2 8 DA H1' 2 8 DA H8 3.790 3.030 4.550 3.984 3.944 4.022 . 0 0 "[ . ]" 1
147 2 8 DA H1' 2 9 DG H8 3.570 2.860 4.280 3.943 3.664 4.233 . 0 0 "[ . ]" 1
148 2 8 DA H2' 2 8 DA H8 2.410 . 2.890 2.421 2.388 2.440 . 0 0 "[ . ]" 1
149 2 8 DA H2' 2 9 DG H8 3.330 2.660 4.000 4.122 4.028 4.258 0.258 6 0 "[ . ]" 1
150 2 8 DA H2'' 2 8 DA H8 3.090 2.470 3.710 3.721 3.635 3.825 0.115 4 0 "[ . ]" 1
151 2 8 DA H2'' 2 9 DG H8 3.060 2.450 3.670 2.873 2.817 2.897 . 0 0 "[ . ]" 1
152 2 8 DA H3' 2 8 DA H8 3.830 3.060 4.600 4.587 4.315 4.744 0.144 6 0 "[ . ]" 1
153 2 8 DA H3' 2 9 DG H8 4.610 3.690 5.530 5.519 5.430 5.629 0.099 3 0 "[ . ]" 1
154 2 8 DA H4' 2 8 DA H8 4.960 3.970 5.950 5.292 5.201 5.442 . 0 0 "[ . ]" 1
155 2 8 DA H8 2 9 DG H8 4.530 3.620 5.440 5.036 4.769 5.551 0.111 4 0 "[ . ]" 1
156 2 9 DG H1' 2 9 DG H3' 3.410 2.730 4.090 3.664 3.589 3.781 . 0 0 "[ . ]" 1
157 2 9 DG H1' 2 9 DG H8 3.600 2.880 4.320 3.969 3.935 4.002 . 0 0 "[ . ]" 1
stop_
save_
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