NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
369140 |
1b6y   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1b6y
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 148
_Distance_constraint_stats_list.Viol_count 60
_Distance_constraint_stats_list.Viol_total 13.636
_Distance_constraint_stats_list.Viol_max 0.613
_Distance_constraint_stats_list.Viol_rms 0.0741
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0230
_Distance_constraint_stats_list.Viol_average_violations_only 0.1136
_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 0.523 0.218 2 0 "[ ]"
1 2 DG 1.117 0.218 2 0 "[ ]"
1 3 DT 0.437 0.206 2 0 "[ ]"
1 4 DA 0.037 0.029 1 0 "[ ]"
1 5 DC 0.069 0.029 1 0 "[ ]"
1 6 EDC 1.680 0.376 2 0 "[ ]"
1 7 DC 0.395 0.153 1 0 "[ ]"
1 8 DA 0.073 0.041 1 0 "[ ]"
1 9 DT 0.000 0.000 . 0 "[ ]"
1 10 DG 0.413 0.175 2 0 "[ ]"
1 11 DC 0.413 0.175 2 0 "[ ]"
2 1 DG 0.174 0.084 1 0 "[ ]"
2 2 DC 1.480 0.613 1 2 [+-]
2 3 DA 0.233 0.104 1 0 "[ ]"
2 4 DT 0.337 0.164 1 0 "[ ]"
2 5 DG 0.505 0.164 1 0 "[ ]"
2 6 DA 1.488 0.376 2 0 "[ ]"
2 7 DG 0.250 0.131 1 0 "[ ]"
2 8 DT 0.000 0.000 . 0 "[ ]"
2 9 DA 0.074 0.038 1 0 "[ ]"
2 10 DC 0.323 0.129 1 0 "[ ]"
2 11 DG 0.748 0.300 1 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 3.190 2.690 3.690 3.722 3.721 3.723 0.033 2 0 "[ ]" 1
2 1 1 DC H1' 1 2 DG H8 4.200 3.700 4.700 3.839 3.826 3.852 . 0 0 "[ ]" 1
3 1 1 DC H2'' 1 2 DG H8 2.920 2.420 3.420 2.437 2.422 2.453 . 0 0 "[ ]" 1
4 1 1 DC H3' 1 1 DC H6 3.650 3.150 4.150 4.162 4.156 4.168 0.018 2 0 "[ ]" 1
5 1 1 DC H3' 1 2 DG H8 4.200 3.700 4.700 4.917 4.916 4.918 0.218 2 0 "[ ]" 1
6 1 1 DC H5 1 1 DC H6 2.490 . 2.990 2.417 2.415 2.419 . 0 0 "[ ]" 1
7 1 2 DG H1' 1 2 DG H3' 3.940 3.440 4.440 3.733 3.726 3.741 . 0 0 "[ ]" 1
8 1 2 DG H1' 1 2 DG H8 3.850 3.350 4.350 3.887 3.886 3.888 . 0 0 "[ ]" 1
9 1 2 DG H1' 1 3 DT H6 4.000 3.500 4.500 3.537 3.533 3.541 . 0 0 "[ ]" 1
10 1 2 DG H2'' 1 2 DG H8 2.780 2.680 3.780 3.421 3.414 3.429 . 0 0 "[ ]" 1
11 1 2 DG H3' 1 2 DG H8 5.000 4.600 10.000 4.477 4.472 4.482 0.128 1 0 "[ ]" 1
12 1 2 DG H3' 1 3 DT H6 4.320 3.820 4.820 5.018 5.010 5.026 0.206 2 0 "[ ]" 1
13 1 2 DG H8 1 3 DT H6 4.100 3.600 4.600 4.617 4.594 4.641 0.041 2 0 "[ ]" 1
14 1 3 DT H1' 1 3 DT H6 4.150 3.650 4.650 3.824 3.820 3.828 . 0 0 "[ ]" 1
15 1 3 DT H1' 1 4 DA H8 4.100 3.600 4.600 3.716 3.704 3.729 . 0 0 "[ ]" 1
16 1 3 DT H2'' 1 4 DA H8 2.870 2.370 3.370 2.551 2.548 2.554 . 0 0 "[ ]" 1
17 1 3 DT H3' 1 3 DT H6 4.250 3.750 4.750 4.338 4.336 4.340 . 0 0 "[ ]" 1
18 1 3 DT H3' 1 4 DA H8 5.080 4.580 5.580 5.149 5.136 5.162 . 0 0 "[ ]" 1
19 1 4 DA H1' 1 4 DA H2'' 2.450 2.050 2.850 2.415 2.413 2.417 . 0 0 "[ ]" 1
20 1 4 DA H1' 1 4 DA H3' 4.250 3.750 4.750 3.823 3.815 3.831 . 0 0 "[ ]" 1
21 1 4 DA H1' 1 4 DA H8 3.750 3.250 4.250 3.876 3.871 3.882 . 0 0 "[ ]" 1
22 1 4 DA H1' 1 5 DC H5 4.500 4.100 5.100 4.701 4.682 4.720 . 0 0 "[ ]" 1
23 1 4 DA H1' 1 5 DC H6 3.900 3.500 4.300 3.572 3.568 3.576 . 0 0 "[ ]" 1
24 1 4 DA H2'' 1 4 DA H8 2.840 2.740 3.840 3.423 3.409 3.437 . 0 0 "[ ]" 1
25 1 4 DA H2'' 1 5 DC H5 3.840 3.340 4.340 3.442 3.426 3.459 . 0 0 "[ ]" 1
26 1 4 DA H3' 1 4 DA H8 3.830 3.330 4.330 4.326 4.319 4.334 0.004 1 0 "[ ]" 1
27 1 4 DA H3' 1 5 DC H6 5.000 4.500 6.000 5.136 5.127 5.145 . 0 0 "[ ]" 1
28 1 4 DA H8 1 5 DC H5 4.140 3.640 4.640 3.623 3.611 3.636 0.029 1 0 "[ ]" 1
29 1 5 DC H1' 1 5 DC H2'' 2.300 . 2.800 2.340 2.338 2.341 . 0 0 "[ ]" 1
30 1 5 DC H1' 1 5 DC H6 4.000 3.500 4.500 3.795 3.793 3.797 . 0 0 "[ ]" 1
31 1 5 DC H1' 1 6 EDC H5 5.000 4.500 5.450 4.725 4.697 4.752 . 0 0 "[ ]" 1
32 1 5 DC H1' 1 6 EDC H6 4.400 3.900 4.900 3.882 3.876 3.888 0.024 1 0 "[ ]" 1
33 1 5 DC H2'' 1 5 DC H5 5.000 4.500 5.500 5.280 5.278 5.282 . 0 0 "[ ]" 1
34 1 5 DC H3' 1 5 DC H6 4.030 3.530 4.530 4.389 4.385 4.393 . 0 0 "[ ]" 1
35 1 5 DC H5 1 5 DC H6 2.470 . 2.970 2.390 2.389 2.390 . 0 0 "[ ]" 1
36 1 5 DC H5 1 6 EDC H5 5.000 4.600 5.600 4.659 4.654 4.664 . 0 0 "[ ]" 1
37 1 5 DC H6 1 6 EDC H5 4.200 3.700 4.700 4.463 4.453 4.472 . 0 0 "[ ]" 1
38 1 6 EDC H1' 1 6 EDC H2'' 2.340 . 2.840 2.288 2.288 2.289 . 0 0 "[ ]" 1
39 1 6 EDC H1' 1 6 EDC H3' 3.580 3.080 4.080 3.665 3.660 3.671 . 0 0 "[ ]" 1
40 1 6 EDC H1' 1 7 DC H5 5.000 4.500 5.500 5.532 5.530 5.533 0.033 1 0 "[ ]" 1
41 1 6 EDC H1' 2 6 DA H2 4.800 4.400 5.800 4.038 4.024 4.051 0.376 2 0 "[ ]" 1
42 1 6 EDC H2'' 2 6 DA H2 4.600 4.200 5.200 4.210 4.199 4.220 0.001 2 0 "[ ]" 1
43 1 6 EDC H3' 1 7 DC H6 4.700 4.200 5.200 5.225 5.211 5.239 0.039 1 0 "[ ]" 1
44 1 6 EDC H7 1 6 EDC H8 2.860 2.360 3.360 2.640 2.638 2.641 . 0 0 "[ ]" 1
45 1 6 EDC H7 2 6 DA H2'' 4.200 3.600 4.800 4.141 4.092 4.190 . 0 0 "[ ]" 1
46 1 6 EDC H7 2 6 DA H8 5.100 4.600 5.600 4.554 4.543 4.566 0.057 2 0 "[ ]" 1
47 1 6 EDC H8 2 6 DA H1' 4.700 4.200 5.200 4.509 4.492 4.526 . 0 0 "[ ]" 1
48 1 6 EDC H8 2 6 DA H2 4.600 4.000 5.200 3.768 3.751 3.785 0.249 1 0 "[ ]" 1
49 1 6 EDC H8 2 6 DA H2'' 4.000 3.600 4.400 3.654 3.642 3.667 . 0 0 "[ ]" 1
50 1 6 EDC H8 2 6 DA H8 5.500 5.000 6.000 5.865 5.847 5.883 . 0 0 "[ ]" 1
51 1 6 EDC H8 2 7 DG H8 5.000 4.750 6.000 4.625 4.619 4.631 0.131 1 0 "[ ]" 1
52 1 7 DC H1' 1 7 DC H2'' 2.510 2.010 3.010 2.398 2.396 2.400 . 0 0 "[ ]" 1
53 1 7 DC H1' 1 7 DC H3' 4.000 3.500 4.500 3.771 3.765 3.778 . 0 0 "[ ]" 1
54 1 7 DC H1' 1 7 DC H6 3.600 3.100 4.100 3.802 3.801 3.803 . 0 0 "[ ]" 1
55 1 7 DC H1' 1 8 DA H8 4.000 3.500 4.500 3.463 3.459 3.468 0.041 1 0 "[ ]" 1
56 1 7 DC H1' 2 6 DA H2 5.000 4.500 6.000 4.489 4.486 4.492 0.014 2 0 "[ ]" 1
57 1 7 DC H2'' 1 8 DA H8 3.040 2.540 3.540 2.907 2.902 2.911 . 0 0 "[ ]" 1
58 1 7 DC H3' 1 7 DC H6 4.240 3.740 4.740 4.267 4.259 4.276 . 0 0 "[ ]" 1
59 1 7 DC H3' 1 8 DA H8 5.000 4.900 10.000 5.673 5.669 5.676 . 0 0 "[ ]" 1
60 1 7 DC H5 1 7 DC H6 2.500 . 3.000 2.414 2.412 2.416 . 0 0 "[ ]" 1
61 1 7 DC H6 1 8 DA H8 4.350 3.750 5.000 4.837 4.833 4.841 . 0 0 "[ ]" 1
62 1 7 DC H6 2 6 DA H2 4.900 4.500 5.500 4.407 4.347 4.468 0.153 1 0 "[ ]" 1
63 1 8 DA H1' 1 9 DT H6 3.480 2.980 3.980 3.163 3.153 3.174 . 0 0 "[ ]" 1
64 1 8 DA H2'' 1 9 DT H6 2.730 2.230 3.230 2.540 2.536 2.543 . 0 0 "[ ]" 1
65 1 8 DA H3' 1 9 DT H6 5.250 4.750 5.750 5.175 5.171 5.179 . 0 0 "[ ]" 1
66 1 8 DA H8 1 9 DT H6 5.100 4.600 6.100 5.034 4.991 5.078 . 0 0 "[ ]" 1
67 1 9 DT H1' 1 9 DT H6 3.750 3.250 4.250 3.732 3.731 3.733 . 0 0 "[ ]" 1
68 1 9 DT H1' 1 10 DG H8 4.400 3.900 4.900 3.987 3.975 4.000 . 0 0 "[ ]" 1
69 1 9 DT H2'' 1 10 DG H8 2.770 2.270 3.270 2.610 2.606 2.613 . 0 0 "[ ]" 1
70 1 9 DT H3' 1 9 DT H6 4.250 3.750 4.750 4.166 4.166 4.166 . 0 0 "[ ]" 1
71 1 9 DT H6 1 10 DG H8 3.900 3.400 4.400 4.310 4.261 4.358 . 0 0 "[ ]" 1
72 1 10 DG H1' 1 10 DG H2'' 2.360 . 2.760 2.371 2.370 2.372 . 0 0 "[ ]" 1
73 1 10 DG H1' 1 10 DG H3' 4.180 3.680 4.680 3.760 3.758 3.762 . 0 0 "[ ]" 1
74 1 10 DG H1' 1 11 DC H5 3.560 3.060 4.060 4.232 4.229 4.235 0.175 2 0 "[ ]" 1
75 1 10 DG H1' 1 11 DC H6 3.240 2.740 3.740 2.871 2.866 2.876 . 0 0 "[ ]" 1
76 1 10 DG H2'' 1 10 DG H8 2.650 2.550 3.650 3.476 3.474 3.478 . 0 0 "[ ]" 1
77 1 10 DG H2'' 1 11 DC H6 2.610 2.110 3.110 2.459 2.456 2.462 . 0 0 "[ ]" 1
78 1 10 DG H3' 1 11 DC H6 5.000 4.500 6.000 5.136 5.129 5.143 . 0 0 "[ ]" 1
79 1 10 DG H8 1 11 DC H5 4.300 3.800 4.800 3.976 3.965 3.987 . 0 0 "[ ]" 1
80 1 10 DG H8 1 11 DC H6 5.000 4.900 10.000 4.866 4.859 4.873 0.041 2 0 "[ ]" 1
81 1 11 DC H1' 1 11 DC H6 3.900 3.400 4.400 3.685 3.685 3.686 . 0 0 "[ ]" 1
82 1 11 DC H3' 1 11 DC H6 3.210 2.710 3.710 2.768 2.766 2.770 . 0 0 "[ ]" 1
83 1 11 DC H5 1 11 DC H6 2.380 . 2.880 2.399 2.398 2.400 . 0 0 "[ ]" 1
84 2 1 DG H1' 2 1 DG H8 3.950 3.450 4.450 3.911 3.905 3.916 . 0 0 "[ ]" 1
85 2 1 DG H1' 2 2 DC H5 4.160 3.660 4.660 4.546 4.522 4.570 . 0 0 "[ ]" 1
86 2 1 DG H1' 2 2 DC H6 3.470 2.970 3.970 3.273 3.254 3.292 . 0 0 "[ ]" 1
87 2 1 DG H2'' 2 1 DG H8 3.000 2.900 4.000 3.701 3.691 3.711 . 0 0 "[ ]" 1
88 2 1 DG H2'' 2 2 DC H5 3.250 2.750 3.750 3.006 2.986 3.026 . 0 0 "[ ]" 1
89 2 1 DG H2'' 2 2 DC H6 2.650 2.150 3.150 2.280 2.274 2.285 . 0 0 "[ ]" 1
90 2 1 DG H3' 2 1 DG H8 5.000 4.600 10.000 4.543 4.516 4.571 0.084 1 0 "[ ]" 1
91 2 1 DG H3' 2 2 DC H6 4.400 3.900 4.900 4.869 4.864 4.873 . 0 0 "[ ]" 1
92 2 1 DG H8 2 2 DC H5 4.900 4.300 5.500 4.269 4.268 4.271 0.032 1 0 "[ ]" 1
93 2 1 DG H8 2 2 DC H6 5.000 4.900 10.000 5.057 5.042 5.072 . 0 0 "[ ]" 1
94 2 2 DC H1' 2 2 DC H6 3.890 3.390 4.390 3.743 3.741 3.745 . 0 0 "[ ]" 1
95 2 2 DC H1' 2 3 DA H8 4.070 3.570 4.570 3.469 3.466 3.473 0.104 1 0 "[ ]" 1
96 2 2 DC Q2' 2 2 DC H5 3.930 3.430 4.430 3.928 3.927 3.930 . 0 0 "[ ]" 1
97 2 2 DC Q2' 2 2 DC H6 3.060 2.560 3.560 1.951 1.947 1.955 0.613 1 2 [+-] 1
98 2 2 DC Q2' 2 3 DA H8 2.930 2.430 3.430 2.623 2.621 2.625 . 0 0 "[ ]" 1
99 2 2 DC H3' 2 2 DC H6 3.830 3.330 4.330 4.234 4.230 4.238 . 0 0 "[ ]" 1
100 2 2 DC H3' 2 3 DA H8 5.000 4.900 10.000 5.184 5.174 5.195 . 0 0 "[ ]" 1
101 2 2 DC H5 2 2 DC H6 2.400 . 2.900 2.323 2.320 2.325 . 0 0 "[ ]" 1
102 2 2 DC H6 2 3 DA H8 5.000 4.500 6.000 5.203 5.149 5.257 . 0 0 "[ ]" 1
103 2 3 DA H1' 2 4 DT H6 3.560 3.060 4.060 3.236 3.231 3.240 . 0 0 "[ ]" 1
104 2 3 DA H2'' 2 4 DT H6 2.640 2.140 3.140 2.400 2.397 2.404 . 0 0 "[ ]" 1
105 2 3 DA H3' 2 4 DT H6 4.750 4.250 5.500 5.090 5.082 5.098 . 0 0 "[ ]" 1
106 2 3 DA H8 2 4 DT H6 5.000 4.900 10.000 4.884 4.869 4.900 0.031 1 0 "[ ]" 1
107 2 4 DT H1' 2 4 DT H2'' 2.390 . 2.890 2.403 2.400 2.406 . 0 0 "[ ]" 1
108 2 4 DT H1' 2 4 DT H6 3.950 3.450 4.450 3.754 3.754 3.755 . 0 0 "[ ]" 1
109 2 4 DT H2'' 2 4 DT H6 3.320 2.820 3.820 3.572 3.565 3.580 . 0 0 "[ ]" 1
110 2 4 DT H2'' 2 5 DG H8 3.200 2.700 3.700 2.775 2.774 2.775 . 0 0 "[ ]" 1
111 2 4 DT H3' 2 4 DT H6 4.430 3.930 4.930 4.254 4.247 4.261 . 0 0 "[ ]" 1
112 2 4 DT H3' 2 5 DG H8 4.700 4.200 5.200 5.353 5.342 5.364 0.164 1 0 "[ ]" 1
113 2 4 DT H6 2 5 DG H8 4.400 3.900 4.900 4.161 4.153 4.169 . 0 0 "[ ]" 1
114 2 5 DG H1' 2 5 DG H3' 4.000 3.350 4.650 3.702 3.699 3.705 . 0 0 "[ ]" 1
115 2 5 DG H1' 2 6 DA H8 3.500 3.000 4.000 3.411 3.375 3.448 . 0 0 "[ ]" 1
116 2 5 DG H3' 2 5 DG H8 4.000 3.500 4.500 4.600 4.599 4.601 0.101 1 0 "[ ]" 1
117 2 6 DA H1' 2 7 DG H8 4.890 4.390 5.390 5.183 5.159 5.206 . 0 0 "[ ]" 1
118 2 7 DG H1' 2 7 DG H2'' 2.420 . 2.920 2.279 2.275 2.283 . 0 0 "[ ]" 1
119 2 7 DG H1' 2 7 DG H3' 3.620 3.120 4.120 3.805 3.803 3.807 . 0 0 "[ ]" 1
120 2 7 DG H1' 2 7 DG H8 4.180 3.680 4.680 3.968 3.965 3.971 . 0 0 "[ ]" 1
121 2 7 DG H1' 2 8 DT H6 3.650 3.150 4.150 3.437 3.431 3.443 . 0 0 "[ ]" 1
122 2 7 DG H2'' 2 7 DG H8 3.270 2.770 3.770 3.663 3.657 3.669 . 0 0 "[ ]" 1
123 2 7 DG H2'' 2 8 DT H6 2.750 2.250 3.250 2.372 2.368 2.377 . 0 0 "[ ]" 1
124 2 7 DG H8 2 8 DT H6 5.300 4.700 5.900 5.298 5.297 5.298 . 0 0 "[ ]" 1
125 2 8 DT H1' 2 9 DA H8 4.000 3.500 4.500 3.573 3.565 3.580 . 0 0 "[ ]" 1
126 2 8 DT H2'' 2 8 DT H6 3.070 2.570 3.570 3.403 3.401 3.404 . 0 0 "[ ]" 1
127 2 8 DT H2'' 2 9 DA H8 2.840 2.340 3.340 2.578 2.566 2.591 . 0 0 "[ ]" 1
128 2 8 DT H3 2 9 DA H8 5.250 4.750 6.000 4.913 4.804 5.022 . 0 0 "[ ]" 1
129 2 9 DA H1' 2 9 DA H8 3.900 3.500 4.300 3.844 3.841 3.847 . 0 0 "[ ]" 1
130 2 9 DA H1' 2 10 DC H5 5.250 4.750 6.000 5.000 4.955 5.045 . 0 0 "[ ]" 1
131 2 9 DA H1' 2 10 DC H6 3.800 3.400 4.200 3.581 3.543 3.619 . 0 0 "[ ]" 1
132 2 9 DA H2'' 2 9 DA H8 2.890 2.790 3.890 3.334 3.327 3.341 . 0 0 "[ ]" 1
133 2 9 DA H2'' 2 10 DC H5 3.910 3.410 4.410 3.755 3.726 3.785 . 0 0 "[ ]" 1
134 2 9 DA H2'' 2 10 DC H6 2.840 2.340 3.340 2.502 2.491 2.513 . 0 0 "[ ]" 1
135 2 9 DA H3' 2 9 DA H8 4.120 3.620 4.620 4.307 4.300 4.315 . 0 0 "[ ]" 1
136 2 9 DA H3' 2 10 DC H6 5.000 4.500 6.000 5.189 5.181 5.197 . 0 0 "[ ]" 1
137 2 9 DA H8 2 10 DC H5 4.260 3.760 4.760 3.723 3.722 3.724 0.038 1 0 "[ ]" 1
138 2 10 DC H1' 2 10 DC H2'' 2.460 . 2.960 2.429 2.429 2.430 . 0 0 "[ ]" 1
139 2 10 DC H1' 2 11 DG H8 4.200 3.700 4.700 4.257 4.236 4.279 . 0 0 "[ ]" 1
140 2 10 DC H2'' 2 10 DC H5 4.500 4.000 5.250 5.375 5.371 5.379 0.129 1 0 "[ ]" 1
141 2 10 DC H2'' 2 10 DC H6 3.130 2.630 3.630 3.482 3.465 3.500 . 0 0 "[ ]" 1
142 2 10 DC H2'' 2 11 DG H8 3.200 2.700 3.700 2.820 2.807 2.834 . 0 0 "[ ]" 1
143 2 10 DC H3' 2 10 DC H6 4.250 3.750 4.750 4.587 4.567 4.608 . 0 0 "[ ]" 1
144 2 10 DC H3' 2 11 DG H8 5.000 4.900 10.000 5.555 5.543 5.567 . 0 0 "[ ]" 1
145 2 10 DC H5 2 10 DC H6 2.480 . 2.980 2.438 2.437 2.439 . 0 0 "[ ]" 1
146 2 10 DC H6 2 11 DG H8 4.850 4.350 5.350 4.547 4.522 4.572 . 0 0 "[ ]" 1
147 2 11 DG H1' 2 11 DG H8 4.150 3.650 4.650 3.576 3.573 3.578 0.077 1 0 "[ ]" 1
148 2 11 DG H3' 2 11 DG H8 3.850 3.450 4.250 4.550 4.550 4.550 0.300 1 0 "[ ]" 1
stop_
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