NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
368687 |
1axo   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1axo
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 239
_Distance_constraint_stats_list.Viol_count 171
_Distance_constraint_stats_list.Viol_total 96.360
_Distance_constraint_stats_list.Viol_max 0.292
_Distance_constraint_stats_list.Viol_rms 0.0380
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0112
_Distance_constraint_stats_list.Viol_average_violations_only 0.0939
_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 0.224 0.083 1 0 "[ . ]"
1 2 DA 1.015 0.184 3 0 "[ . ]"
1 3 DC 0.072 0.034 5 0 "[ . ]"
1 4 DG 0.184 0.184 3 0 "[ . ]"
1 5 DC 0.184 0.184 3 0 "[ . ]"
1 6 DT 0.315 0.097 5 0 "[ . ]"
1 7 DA 1.605 0.161 1 0 "[ . ]"
1 8 DC 2.545 0.247 1 0 "[ . ]"
1 9 DC 2.006 0.247 1 0 "[ . ]"
1 10 DA 0.228 0.109 4 0 "[ . ]"
1 11 DT 0.617 0.170 6 0 "[ . ]"
1 12 DC 1.333 0.216 2 0 "[ . ]"
1 13 DC 2.323 0.285 5 0 "[ . ]"
2 1 DG 0.000 0.000 . 0 "[ . ]"
2 2 DG 0.266 0.074 5 0 "[ . ]"
2 3 DA 1.771 0.197 3 0 "[ . ]"
2 4 DT 1.533 0.183 5 0 "[ . ]"
2 5 DG 0.093 0.052 1 0 "[ . ]"
2 6 DG 0.479 0.096 6 0 "[ . ]"
2 7 DT 1.139 0.292 2 0 "[ . ]"
2 8 DA 1.452 0.292 2 0 "[ . ]"
2 9 DG 1.381 0.130 6 0 "[ . ]"
2 10 DC 1.366 0.147 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 DA H1' 1 1 DA H2' 3.050 2.440 3.660 3.168 3.124 3.185 . 0 0 "[ . ]" 1
2 1 1 DA H1' 1 1 DA H2'' 2.520 2.020 3.020 2.514 2.467 2.542 . 0 0 "[ . ]" 1
3 1 1 DA H1' 1 1 DA H3' 3.880 3.100 4.660 3.858 3.800 3.947 . 0 0 "[ . ]" 1
4 1 1 DA H1' 1 1 DA H4' 3.220 2.580 3.860 3.064 2.968 3.120 . 0 0 "[ . ]" 1
5 1 1 DA H2 1 2 DA H2 5.630 4.500 6.760 5.040 4.534 5.641 . 0 0 "[ . ]" 1
6 1 1 DA H2' 1 1 DA H3' 2.360 . 2.830 2.345 2.279 2.388 . 0 0 "[ . ]" 1
7 1 1 DA H2' 1 1 DA H4' 3.630 2.900 4.360 3.668 3.605 3.765 . 0 0 "[ . ]" 1
8 1 1 DA H2' 1 1 DA H8 4.070 2.070 4.880 4.255 4.128 4.332 . 0 0 "[ . ]" 1
9 1 1 DA H2' 1 2 DA H8 4.080 3.260 4.900 4.515 4.387 4.705 . 0 0 "[ . ]" 1
10 1 1 DA H2'' 1 1 DA H3' 2.580 2.060 3.100 2.610 2.565 2.703 . 0 0 "[ . ]" 1
11 1 1 DA H2'' 1 1 DA H4' 3.150 2.520 3.780 3.813 3.757 3.863 0.083 1 0 "[ . ]" 1
12 1 1 DA H2'' 1 1 DA H8 4.840 3.340 5.810 5.008 4.970 5.037 . 0 0 "[ . ]" 1
13 1 1 DA H2'' 1 2 DA H8 3.540 2.830 4.250 3.743 3.662 3.930 . 0 0 "[ . ]" 1
14 1 2 DA H1' 1 2 DA H2 4.570 3.660 5.480 4.814 4.651 4.881 . 0 0 "[ . ]" 1
15 1 2 DA H1' 1 2 DA H2' 2.520 2.020 3.020 3.045 3.036 3.055 0.035 6 0 "[ . ]" 1
16 1 2 DA H1' 1 2 DA H2'' 2.430 . 2.920 2.354 2.298 2.376 . 0 0 "[ . ]" 1
17 1 2 DA H1' 1 2 DA H4' 2.570 2.060 3.570 2.736 2.655 2.771 . 0 0 "[ . ]" 1
18 1 2 DA H1' 1 2 DA H8 3.920 3.140 4.700 4.011 3.911 4.060 . 0 0 "[ . ]" 1
19 1 2 DA H1' 1 3 DC H6 4.730 3.780 5.680 5.616 5.335 5.702 0.022 5 0 "[ . ]" 1
20 1 2 DA H2' 1 2 DA H8 2.770 2.220 3.320 2.689 2.666 2.718 . 0 0 "[ . ]" 1
21 1 2 DA H2'' 1 2 DA H8 3.060 2.450 3.670 3.278 3.187 3.371 . 0 0 "[ . ]" 1
22 1 2 DA H2'' 1 3 DC H6 4.210 3.370 5.050 4.941 4.594 5.084 0.034 5 0 "[ . ]" 1
23 1 2 DA H3' 1 2 DA H8 4.090 3.270 4.910 5.042 5.011 5.094 0.184 3 0 "[ . ]" 1
24 1 3 DC H1' 1 3 DC H2' 2.900 2.320 3.480 3.138 3.117 3.175 . 0 0 "[ . ]" 1
25 1 3 DC H1' 1 3 DC H2'' 2.580 2.060 3.100 2.541 2.515 2.552 . 0 0 "[ . ]" 1
26 1 3 DC H1' 1 3 DC H4' 3.330 2.660 4.000 3.194 3.099 3.250 . 0 0 "[ . ]" 1
27 1 3 DC H1' 1 3 DC H6 3.680 2.940 4.420 3.681 3.645 3.725 . 0 0 "[ . ]" 1
28 1 3 DC H2' 1 3 DC H6 3.480 . 4.180 3.267 3.232 3.342 . 0 0 "[ . ]" 1
29 1 3 DC H2'' 1 3 DC H6 3.970 3.180 4.760 4.394 4.341 4.426 . 0 0 "[ . ]" 1
30 1 3 DC H5 1 3 DC H6 2.630 2.100 3.160 2.527 2.491 2.581 . 0 0 "[ . ]" 1
31 1 4 DG H1' 1 4 DG H2' 2.750 . 3.300 3.152 3.135 3.169 . 0 0 "[ . ]" 1
32 1 4 DG H1' 1 4 DG H3' 3.720 2.980 4.460 3.822 3.677 3.959 . 0 0 "[ . ]" 1
33 1 4 DG H1' 1 4 DG H4' 3.240 2.590 3.890 3.397 3.285 3.457 . 0 0 "[ . ]" 1
34 1 4 DG H1' 1 4 DG H8 5.000 4.000 6.000 4.410 4.377 4.450 . 0 0 "[ . ]" 1
35 1 4 DG H1' 1 5 DC H1' 4.230 3.380 5.080 4.386 4.075 4.664 . 0 0 "[ . ]" 1
36 1 4 DG H1' 1 5 DC H4' 4.470 3.580 5.360 4.269 4.111 4.412 . 0 0 "[ . ]" 1
37 1 4 DG H1' 1 5 DC H5 4.230 3.380 5.080 4.395 4.254 4.553 . 0 0 "[ . ]" 1
38 1 4 DG H1' 1 5 DC H6 3.070 2.460 3.680 3.188 3.073 3.261 . 0 0 "[ . ]" 1
39 1 4 DG H2' 1 4 DG H3' 2.300 . 2.760 2.220 2.131 2.298 . 0 0 "[ . ]" 1
40 1 4 DG H2' 1 4 DG H4' 3.240 2.590 3.890 3.637 3.583 3.748 . 0 0 "[ . ]" 1
41 1 4 DG H2' 1 4 DG H8 3.270 . 3.920 3.310 3.233 3.376 . 0 0 "[ . ]" 1
42 1 4 DG H2' 1 5 DC H5 3.570 2.860 4.280 3.663 3.583 3.876 . 0 0 "[ . ]" 1
43 1 4 DG H2' 1 5 DC H6 3.150 2.520 3.780 3.662 3.389 3.964 0.184 3 0 "[ . ]" 1
44 1 4 DG H2'' 1 4 DG H3' 2.500 . 3.000 2.643 2.551 2.743 . 0 0 "[ . ]" 1
45 1 4 DG H2'' 1 4 DG H4' 3.550 2.840 4.260 3.950 3.762 4.030 . 0 0 "[ . ]" 1
46 1 4 DG H2'' 1 4 DG H8 4.150 3.320 4.980 4.526 4.399 4.630 . 0 0 "[ . ]" 1
47 1 4 DG H2'' 1 5 DC H5 3.510 2.810 4.210 3.721 3.448 4.027 . 0 0 "[ . ]" 1
48 1 4 DG H2'' 1 5 DC H6 2.790 2.230 3.350 2.568 2.505 2.639 . 0 0 "[ . ]" 1
49 1 4 DG H3' 1 5 DC H6 4.780 3.820 5.740 5.145 5.026 5.220 . 0 0 "[ . ]" 1
50 1 5 DC H1' 1 5 DC H2' 2.880 2.300 3.460 3.029 2.987 3.052 . 0 0 "[ . ]" 1
51 1 5 DC H1' 1 5 DC H2'' 2.450 . 2.940 2.349 2.306 2.390 . 0 0 "[ . ]" 1
52 1 5 DC H2' 1 5 DC H3' 2.340 . 2.810 2.195 2.142 2.250 . 0 0 "[ . ]" 1
53 1 5 DC H2' 1 5 DC H4' 3.320 2.660 3.980 3.643 3.548 3.713 . 0 0 "[ . ]" 1
54 1 6 DT H1' 1 6 DT H2' 2.760 2.210 3.310 3.032 3.007 3.045 . 0 0 "[ . ]" 1
55 1 6 DT H1' 1 6 DT H2'' 2.380 . 2.860 2.338 2.289 2.381 . 0 0 "[ . ]" 1
56 1 6 DT H1' 1 6 DT H4' 2.840 2.270 3.410 2.766 2.710 2.853 . 0 0 "[ . ]" 1
57 1 6 DT H1' 1 6 DT M7 5.310 4.250 6.370 5.157 5.127 5.173 . 0 0 "[ . ]" 1
58 1 6 DT H1' 1 7 DA H8 4.760 3.760 4.960 4.876 4.748 4.989 0.029 5 0 "[ . ]" 1
59 1 6 DT H2' 1 6 DT H3' 2.410 . 2.890 2.333 2.255 2.407 . 0 0 "[ . ]" 1
60 1 6 DT H2' 1 6 DT H4' 3.440 2.750 4.130 3.664 3.598 3.724 . 0 0 "[ . ]" 1
61 1 6 DT H2' 1 6 DT H6 2.170 . 2.600 2.068 2.044 2.121 . 0 0 "[ . ]" 1
62 1 6 DT H2' 1 7 DA H8 4.720 3.780 4.920 4.964 4.896 5.017 0.097 5 0 "[ . ]" 1
63 1 6 DT H2'' 1 6 DT H6 2.600 2.080 3.600 2.957 2.751 3.089 . 0 0 "[ . ]" 1
64 1 6 DT H2'' 1 7 DA H8 3.880 . 4.660 3.776 3.707 3.830 . 0 0 "[ . ]" 1
65 1 7 DA H1' 1 7 DA H2' 2.610 2.090 3.130 3.040 3.021 3.060 . 0 0 "[ . ]" 1
66 1 7 DA H1' 1 7 DA H2'' 2.150 . 2.580 2.075 2.058 2.100 . 0 0 "[ . ]" 1
67 1 7 DA H1' 1 7 DA H3' 3.600 2.880 4.320 3.808 3.739 3.887 . 0 0 "[ . ]" 1
68 1 7 DA H1' 1 7 DA H4' 2.900 2.320 3.480 2.773 2.719 2.931 . 0 0 "[ . ]" 1
69 1 7 DA H1' 1 8 DC H5 4.380 3.500 5.260 4.863 4.813 4.958 . 0 0 "[ . ]" 1
70 1 7 DA H1' 1 8 DC H6 3.420 2.740 4.100 4.062 3.975 4.160 0.060 1 0 "[ . ]" 1
71 1 7 DA H1' 2 8 DA H2 4.730 3.780 5.680 4.695 3.816 5.597 . 0 0 "[ . ]" 1
72 1 7 DA H2' 1 7 DA H8 2.570 2.060 3.080 2.551 2.526 2.575 . 0 0 "[ . ]" 1
73 1 7 DA H2' 1 8 DC H5 3.440 2.750 4.130 3.441 3.345 3.723 . 0 0 "[ . ]" 1
74 1 7 DA H2' 1 8 DC H6 2.990 2.390 3.590 3.668 3.629 3.712 0.122 5 0 "[ . ]" 1
75 1 7 DA H2'' 1 7 DA H8 3.100 2.480 3.720 3.838 3.759 3.881 0.161 1 0 "[ . ]" 1
76 1 7 DA H2'' 1 8 DC H5 3.330 2.660 4.000 3.348 3.309 3.459 . 0 0 "[ . ]" 1
77 1 7 DA H2'' 1 8 DC H6 2.650 2.120 3.180 2.446 2.384 2.467 . 0 0 "[ . ]" 1
78 1 7 DA H3' 1 8 DC H5 5.260 4.210 6.310 5.446 5.313 5.767 . 0 0 "[ . ]" 1
79 1 7 DA H3' 1 8 DC H6 4.580 3.660 5.500 4.920 4.797 5.092 . 0 0 "[ . ]" 1
80 1 7 DA H8 1 8 DC H5 4.220 3.380 5.060 4.365 4.133 4.601 . 0 0 "[ . ]" 1
81 1 7 DA H8 1 8 DC H6 5.420 4.340 6.500 5.472 5.133 5.634 . 0 0 "[ . ]" 1
82 1 8 DC H1' 1 8 DC H3' 3.370 2.700 4.040 3.701 3.673 3.726 . 0 0 "[ . ]" 1
83 1 8 DC H1' 1 8 DC H5 4.790 3.790 5.790 5.499 5.459 5.542 . 0 0 "[ . ]" 1
84 1 8 DC H1' 1 8 DC H6 3.810 3.050 4.570 3.832 3.773 3.892 . 0 0 "[ . ]" 1
85 1 8 DC H1' 1 9 DC H6 3.450 2.760 4.140 4.001 3.858 4.097 . 0 0 "[ . ]" 1
86 1 8 DC H2' 1 8 DC H5 3.470 2.780 4.470 4.338 4.309 4.387 . 0 0 "[ . ]" 1
87 1 8 DC H2' 1 8 DC H6 2.330 . 2.800 2.199 2.157 2.227 . 0 0 "[ . ]" 1
88 1 8 DC H2' 1 9 DC H5 3.230 2.580 3.880 3.082 3.002 3.151 . 0 0 "[ . ]" 1
89 1 8 DC H2' 1 9 DC H6 2.640 2.110 4.140 3.513 3.421 3.579 . 0 0 "[ . ]" 1
90 1 8 DC H2'' 1 8 DC H3' 2.650 2.120 3.180 2.609 2.559 2.714 . 0 0 "[ . ]" 1
91 1 8 DC H2'' 1 8 DC H6 2.930 2.340 3.520 3.564 3.502 3.595 0.075 1 0 "[ . ]" 1
92 1 8 DC H3' 1 8 DC H4' 3.020 2.420 3.620 2.868 2.838 2.925 . 0 0 "[ . ]" 1
93 1 8 DC H3' 1 8 DC H6 3.430 2.740 4.120 4.216 4.129 4.267 0.147 5 0 "[ . ]" 1
94 1 8 DC H3' 1 9 DC H5 3.640 2.910 4.640 4.825 4.752 4.887 0.247 1 0 "[ . ]" 1
95 1 8 DC H5 1 8 DC H6 2.490 . 2.990 2.397 2.311 2.437 . 0 0 "[ . ]" 1
96 1 8 DC H5 1 9 DC H5 3.890 3.110 5.390 4.146 4.010 4.283 . 0 0 "[ . ]" 1
97 1 8 DC H6 1 9 DC H5 3.690 2.950 4.430 3.642 3.607 3.720 . 0 0 "[ . ]" 1
98 1 9 DC H1' 1 9 DC H2' 2.900 2.320 3.480 3.035 3.025 3.060 . 0 0 "[ . ]" 1
99 1 9 DC H1' 1 9 DC H2'' 2.410 . 2.890 2.395 2.375 2.415 . 0 0 "[ . ]" 1
100 1 9 DC H1' 1 10 DA H8 4.000 3.200 4.800 4.156 3.942 4.307 . 0 0 "[ . ]" 1
101 1 9 DC H2' 1 9 DC H5 3.490 2.790 4.190 4.340 4.300 4.362 0.172 3 0 "[ . ]" 1
102 1 9 DC H2' 1 10 DA H8 4.350 3.480 5.220 4.995 4.579 5.124 . 0 0 "[ . ]" 1
103 1 9 DC H2'' 1 10 DA H8 3.590 2.090 4.310 3.388 3.312 3.523 . 0 0 "[ . ]" 1
104 1 10 DA H1' 1 10 DA H3' 3.690 2.950 4.430 3.754 3.707 3.770 . 0 0 "[ . ]" 1
105 1 10 DA H1' 1 10 DA H4' 3.070 2.460 3.680 3.021 2.962 3.076 . 0 0 "[ . ]" 1
106 1 10 DA H1' 1 10 DA H8 4.450 3.560 5.340 3.975 3.952 4.012 . 0 0 "[ . ]" 1
107 1 10 DA H1' 1 11 DT H1' 3.940 3.150 4.940 4.056 3.927 4.217 . 0 0 "[ . ]" 1
108 1 10 DA H1' 1 11 DT H6 3.570 2.860 4.280 3.428 3.398 3.461 . 0 0 "[ . ]" 1
109 1 10 DA H1' 1 11 DT M7 4.100 3.280 4.920 3.824 3.698 3.924 . 0 0 "[ . ]" 1
110 1 10 DA H2' 1 10 DA H8 2.580 2.060 3.100 2.528 2.512 2.556 . 0 0 "[ . ]" 1
111 1 10 DA H2'' 1 10 DA H3' 2.470 . 2.960 2.559 2.476 2.589 . 0 0 "[ . ]" 1
112 1 10 DA H2'' 1 10 DA H4' 3.390 2.710 4.070 3.935 3.878 3.994 . 0 0 "[ . ]" 1
113 1 10 DA H2'' 1 10 DA H8 3.130 2.500 3.760 3.497 3.331 3.592 . 0 0 "[ . ]" 1
114 1 10 DA H2'' 1 11 DT H6 2.590 2.070 3.110 2.441 2.385 2.473 . 0 0 "[ . ]" 1
115 1 10 DA H3' 1 11 DT H6 4.860 3.890 5.830 4.822 4.738 4.958 . 0 0 "[ . ]" 1
116 1 10 DA H8 1 11 DT H6 5.740 4.590 6.890 4.811 4.674 4.998 . 0 0 "[ . ]" 1
117 1 10 DA H8 1 11 DT M7 3.270 2.620 4.270 2.704 2.511 3.010 0.109 4 0 "[ . ]" 1
118 1 11 DT H1' 1 11 DT H2' 2.810 2.250 3.370 3.063 3.037 3.091 . 0 0 "[ . ]" 1
119 1 11 DT H1' 1 11 DT M7 4.770 4.570 5.720 5.016 4.985 5.061 . 0 0 "[ . ]" 1
120 1 11 DT H1' 1 12 DC H6 3.710 2.970 4.450 4.158 3.933 4.449 . 0 0 "[ . ]" 1
121 1 11 DT H2' 1 11 DT H6 2.240 . 2.690 2.116 2.091 2.140 . 0 0 "[ . ]" 1
122 1 11 DT H2' 1 12 DC H5 3.180 2.540 3.820 3.299 3.128 3.431 . 0 0 "[ . ]" 1
123 1 11 DT H2' 1 12 DC H6 2.970 2.380 3.560 3.594 3.450 3.730 0.170 6 0 "[ . ]" 1
124 1 11 DT H6 1 12 DC H5 4.120 3.300 4.940 3.963 3.834 4.093 . 0 0 "[ . ]" 1
125 1 11 DT H6 1 12 DC H6 3.880 3.680 5.080 5.028 4.870 5.144 0.064 4 0 "[ . ]" 1
126 1 12 DC H1' 1 12 DC H2' 2.790 2.230 3.350 3.068 3.041 3.089 . 0 0 "[ . ]" 1
127 1 12 DC H1' 1 12 DC H2'' 2.320 . 2.780 2.319 2.292 2.347 . 0 0 "[ . ]" 1
128 1 12 DC H1' 1 12 DC H4' 3.180 2.540 3.820 2.996 2.951 3.046 . 0 0 "[ . ]" 1
129 1 12 DC H1' 1 12 DC H5 5.420 4.340 6.500 5.472 5.451 5.518 . 0 0 "[ . ]" 1
130 1 12 DC H1' 1 12 DC H6 3.510 2.810 4.210 3.812 3.760 3.845 . 0 0 "[ . ]" 1
131 1 12 DC H1' 1 13 DC H5 3.670 2.940 5.170 4.619 4.431 4.767 . 0 0 "[ . ]" 1
132 1 12 DC H1' 1 13 DC H6 3.840 3.070 4.610 4.110 3.976 4.206 . 0 0 "[ . ]" 1
133 1 12 DC H1' 2 3 DA H2 4.130 3.300 4.960 4.126 4.011 4.329 . 0 0 "[ . ]" 1
134 1 12 DC H2' 1 12 DC H5 3.420 2.740 4.100 4.257 4.196 4.316 0.216 2 0 "[ . ]" 1
135 1 12 DC H2' 1 12 DC H6 2.360 . 2.830 2.107 2.087 2.124 . 0 0 "[ . ]" 1
136 1 12 DC H2' 1 13 DC H5 3.420 2.740 4.100 3.317 3.151 3.435 . 0 0 "[ . ]" 1
137 1 12 DC H2' 1 13 DC H6 2.890 2.310 3.890 3.727 3.636 3.828 . 0 0 "[ . ]" 1
138 1 12 DC H2'' 1 13 DC H5 2.910 2.330 3.910 3.104 3.010 3.214 . 0 0 "[ . ]" 1
139 1 12 DC H5 1 12 DC H6 2.430 . 2.920 2.312 2.293 2.336 . 0 0 "[ . ]" 1
140 1 12 DC H6 1 13 DC H5 3.420 2.740 4.100 3.474 3.405 3.621 . 0 0 "[ . ]" 1
141 1 13 DC H1' 1 13 DC H3' 3.660 2.930 4.390 3.988 3.961 4.017 . 0 0 "[ . ]" 1
142 1 13 DC H1' 1 13 DC H4' 3.180 2.540 3.820 3.003 2.966 3.040 . 0 0 "[ . ]" 1
143 1 13 DC H1' 1 13 DC H5 4.120 3.300 4.940 5.205 5.188 5.225 0.285 5 0 "[ . ]" 1
144 1 13 DC H1' 1 13 DC H6 3.450 2.760 4.140 3.574 3.521 3.632 . 0 0 "[ . ]" 1
145 1 13 DC H3' 1 13 DC H5 4.420 3.540 5.300 5.423 5.361 5.488 0.188 1 0 "[ . ]" 1
146 1 13 DC H3' 1 13 DC H6 2.900 2.320 3.900 3.223 3.175 3.305 . 0 0 "[ . ]" 1
147 1 13 DC H5 1 13 DC H6 2.480 . 2.980 2.291 2.270 2.314 . 0 0 "[ . ]" 1
148 2 1 DG H2'' 2 1 DG H3' 2.670 2.140 3.200 2.678 2.668 2.683 . 0 0 "[ . ]" 1
149 2 2 DG H1' 2 2 DG H2'' 2.350 . 2.820 2.329 2.294 2.363 . 0 0 "[ . ]" 1
150 2 2 DG H1' 2 2 DG H3' 3.640 2.910 4.370 3.607 3.573 3.664 . 0 0 "[ . ]" 1
151 2 2 DG H1' 2 3 DA H8 3.270 2.620 3.920 3.272 3.211 3.362 . 0 0 "[ . ]" 1
152 2 2 DG H2'' 2 2 DG H4' 3.410 2.730 4.090 4.055 3.997 4.096 0.006 1 0 "[ . ]" 1
153 2 2 DG H2'' 2 2 DG H8 2.970 . 3.560 3.601 3.552 3.634 0.074 5 0 "[ . ]" 1
154 2 2 DG H2'' 2 3 DA H8 2.760 2.210 3.310 2.651 2.600 2.744 . 0 0 "[ . ]" 1
155 2 2 DG H3' 2 2 DG H8 4.440 3.550 5.330 4.683 4.540 4.808 . 0 0 "[ . ]" 1
156 2 3 DA H1' 2 3 DA H2 5.420 4.340 6.500 4.486 4.466 4.530 . 0 0 "[ . ]" 1
157 2 3 DA H1' 2 3 DA H2'' 2.070 . 2.480 2.032 1.980 2.064 . 0 0 "[ . ]" 1
158 2 3 DA H1' 2 3 DA H3' 3.680 2.940 4.420 3.846 3.824 3.932 . 0 0 "[ . ]" 1
159 2 3 DA H1' 2 3 DA H8 4.330 3.460 5.200 3.989 3.971 4.008 . 0 0 "[ . ]" 1
160 2 3 DA H1' 2 4 DT H6 3.580 2.860 4.300 3.975 3.763 4.160 . 0 0 "[ . ]" 1
161 2 3 DA H2 2 4 DT H1' 4.690 3.750 5.630 4.459 4.308 4.592 . 0 0 "[ . ]" 1
162 2 3 DA H2' 2 3 DA H4' 3.390 2.710 4.070 3.733 3.710 3.752 . 0 0 "[ . ]" 1
163 2 3 DA H2' 2 4 DT H6 3.100 2.480 3.720 3.841 3.781 3.903 0.183 5 0 "[ . ]" 1
164 2 3 DA H2'' 2 3 DA H8 3.000 2.400 3.600 3.752 3.706 3.797 0.197 3 0 "[ . ]" 1
165 2 3 DA H2'' 2 4 DT H6 2.630 2.100 3.160 2.453 2.418 2.505 . 0 0 "[ . ]" 1
166 2 3 DA H2'' 2 4 DT M7 2.930 2.340 3.520 2.457 2.370 2.612 . 0 0 "[ . ]" 1
167 2 3 DA H3' 2 4 DT H6 4.660 3.730 5.590 4.654 4.465 4.820 . 0 0 "[ . ]" 1
168 2 3 DA H3' 2 4 DT M7 3.730 2.980 4.730 3.773 3.731 3.862 . 0 0 "[ . ]" 1
169 2 3 DA H8 2 4 DT H6 4.730 3.780 5.680 5.634 5.446 5.771 0.091 2 0 "[ . ]" 1
170 2 4 DT H1' 2 4 DT H6 3.740 2.990 4.490 3.843 3.764 3.920 . 0 0 "[ . ]" 1
171 2 4 DT H1' 2 4 DT M7 5.900 5.310 6.490 5.210 5.148 5.295 0.162 2 0 "[ . ]" 1
172 2 4 DT H1' 2 5 DG H8 4.590 3.670 5.510 4.539 4.326 4.808 . 0 0 "[ . ]" 1
173 2 4 DT H2' 2 4 DT H6 2.350 . 2.820 2.260 2.187 2.306 . 0 0 "[ . ]" 1
174 2 4 DT H2' 2 5 DG H8 3.260 2.610 3.910 3.691 3.490 3.885 . 0 0 "[ . ]" 1
175 2 4 DT H2'' 2 4 DT H6 3.010 2.410 3.610 3.609 3.570 3.668 0.058 1 0 "[ . ]" 1
176 2 4 DT H2'' 2 5 DG H8 3.080 2.080 3.700 2.952 2.885 3.063 . 0 0 "[ . ]" 1
177 2 4 DT H3' 2 4 DT H6 4.440 3.550 5.330 4.314 3.990 4.544 . 0 0 "[ . ]" 1
178 2 4 DT H6 2 5 DG H8 4.050 3.240 5.050 4.292 4.036 4.455 . 0 0 "[ . ]" 1
179 2 5 DG H1' 2 5 DG H3' 3.880 3.100 4.660 3.605 3.578 3.651 . 0 0 "[ . ]" 1
180 2 5 DG H1' 2 5 DG H8 4.260 3.410 5.110 3.986 3.937 4.009 . 0 0 "[ . ]" 1
181 2 5 DG H1' 2 6 DG H8 2.960 2.370 3.960 2.978 2.934 3.014 . 0 0 "[ . ]" 1
182 2 5 DG H3' 2 5 DG H8 4.360 3.490 5.230 5.219 5.171 5.282 0.052 1 0 "[ . ]" 1
183 2 6 DG H1' 2 6 DG H2'' 2.250 . 2.700 2.165 2.149 2.192 . 0 0 "[ . ]" 1
184 2 6 DG H1' 2 6 DG H3' 4.480 3.580 5.380 3.547 3.515 3.572 0.065 6 0 "[ . ]" 1
185 2 6 DG H1' 2 6 DG H4' 3.060 2.450 3.670 3.101 3.069 3.159 . 0 0 "[ . ]" 1
186 2 6 DG H1' 2 6 DG H8 3.580 2.860 4.300 3.865 3.813 3.916 . 0 0 "[ . ]" 1
187 2 6 DG H1' 2 7 DT M7 3.980 3.180 5.480 3.574 3.084 3.883 0.096 6 0 "[ . ]" 1
188 2 6 DG H2' 2 7 DT M7 2.790 2.230 3.350 2.427 2.216 2.573 0.014 2 0 "[ . ]" 1
189 2 6 DG H2'' 2 6 DG H3' 2.530 2.020 3.040 2.618 2.576 2.652 . 0 0 "[ . ]" 1
190 2 6 DG H2'' 2 7 DT M7 2.660 2.130 3.660 2.402 2.130 2.721 . 0 0 "[ . ]" 1
191 2 6 DG H3' 2 6 DG H8 4.070 3.260 4.880 4.742 4.686 4.863 . 0 0 "[ . ]" 1
192 2 6 DG H8 2 7 DT H6 4.080 3.260 5.080 5.094 4.995 5.173 0.093 6 0 "[ . ]" 1
193 2 6 DG H8 2 7 DT M7 3.170 2.540 4.170 2.854 2.680 3.064 . 0 0 "[ . ]" 1
194 2 7 DT H1' 2 7 DT H2' 2.920 2.340 3.500 3.086 3.059 3.111 . 0 0 "[ . ]" 1
195 2 7 DT H1' 2 7 DT H2'' 2.430 . 2.920 2.429 2.402 2.451 . 0 0 "[ . ]" 1
196 2 7 DT H1' 2 7 DT H6 3.820 3.060 4.580 3.839 3.807 3.873 . 0 0 "[ . ]" 1
197 2 7 DT H1' 2 8 DA H8 4.490 3.590 5.390 3.727 3.442 4.224 0.148 4 0 "[ . ]" 1
198 2 7 DT H2' 2 7 DT H6 2.350 . 2.820 2.271 2.244 2.296 . 0 0 "[ . ]" 1
199 2 7 DT H2' 2 8 DA H8 3.770 3.020 4.520 4.558 4.385 4.812 0.292 2 0 "[ . ]" 1
200 2 7 DT H2'' 2 7 DT H6 2.940 2.350 3.940 3.503 3.348 3.632 . 0 0 "[ . ]" 1
201 2 7 DT H2'' 2 8 DA H8 3.260 2.260 3.910 3.115 3.043 3.169 . 0 0 "[ . ]" 1
202 2 7 DT H6 2 8 DA H8 5.360 4.820 5.900 5.128 4.714 5.742 0.106 4 0 "[ . ]" 1
203 2 8 DA H1' 2 8 DA H2' 2.620 2.100 3.140 3.029 3.010 3.047 . 0 0 "[ . ]" 1
204 2 8 DA H1' 2 8 DA H2'' 2.410 . 2.890 2.321 2.259 2.362 . 0 0 "[ . ]" 1
205 2 8 DA H1' 2 8 DA H3' 4.010 3.210 4.810 3.696 3.576 3.775 . 0 0 "[ . ]" 1
206 2 8 DA H1' 2 8 DA H4' 3.150 2.520 3.780 3.096 3.034 3.186 . 0 0 "[ . ]" 1
207 2 8 DA H1' 2 8 DA H8 4.110 3.290 4.930 3.989 3.959 4.034 . 0 0 "[ . ]" 1
208 2 8 DA H1' 2 9 DG H8 3.710 2.970 4.450 4.091 3.785 4.536 0.086 5 0 "[ . ]" 1
209 2 8 DA H2' 2 8 DA H8 2.430 . 2.920 2.427 2.398 2.465 . 0 0 "[ . ]" 1
210 2 8 DA H2' 2 9 DG H8 3.210 2.570 3.850 3.928 3.890 3.965 0.115 1 0 "[ . ]" 1
211 2 8 DA H2'' 2 8 DA H8 2.890 2.310 3.890 3.753 3.688 3.803 . 0 0 "[ . ]" 1
212 2 8 DA H2'' 2 9 DG H8 3.170 2.170 3.800 2.917 2.870 2.959 . 0 0 "[ . ]" 1
213 2 8 DA H3' 2 8 DA H8 4.230 3.380 5.080 4.697 4.526 4.889 . 0 0 "[ . ]" 1
214 2 8 DA H3' 2 9 DG H8 5.130 4.100 5.640 5.534 5.210 5.677 0.037 2 0 "[ . ]" 1
215 2 8 DA H8 2 9 DG H8 5.180 4.660 5.700 4.803 4.692 5.030 . 0 0 "[ . ]" 1
216 2 9 DG H1' 2 9 DG H3' 3.210 2.570 3.850 3.737 3.600 3.834 . 0 0 "[ . ]" 1
217 2 9 DG H1' 2 9 DG H4' 2.980 2.380 3.980 2.800 2.745 2.877 . 0 0 "[ . ]" 1
218 2 9 DG H1' 2 9 DG H8 4.020 3.220 4.820 3.995 3.974 4.008 . 0 0 "[ . ]" 1
219 2 9 DG H1' 2 10 DC H5 3.720 2.980 5.020 4.845 4.302 5.148 0.128 3 0 "[ . ]" 1
220 2 9 DG H1' 2 10 DC H6 3.930 3.140 4.720 4.241 3.704 4.568 . 0 0 "[ . ]" 1
221 2 9 DG H3' 2 9 DG H8 3.900 3.120 4.680 4.195 3.815 4.810 0.130 6 0 "[ . ]" 1
222 2 9 DG H3' 2 10 DC H6 4.350 3.480 5.220 5.132 5.024 5.261 0.041 5 0 "[ . ]" 1
223 2 9 DG H8 2 10 DC H5 4.520 3.620 5.420 4.318 4.277 4.386 . 0 0 "[ . ]" 1
224 2 9 DG H8 2 10 DC H6 5.120 4.610 5.630 5.679 5.644 5.722 0.092 2 0 "[ . ]" 1
225 2 10 DC H1' 2 10 DC H2' 2.720 2.180 3.260 2.891 2.871 2.928 . 0 0 "[ . ]" 1
226 2 10 DC H1' 2 10 DC H2'' 2.270 . 2.720 2.227 2.213 2.253 . 0 0 "[ . ]" 1
227 2 10 DC H1' 2 10 DC H4' 2.830 2.260 3.830 2.966 2.938 2.992 . 0 0 "[ . ]" 1
228 2 10 DC H1' 2 10 DC H6 3.550 2.840 4.260 3.665 3.650 3.687 . 0 0 "[ . ]" 1
229 2 10 DC H2' 2 10 DC H3' 2.560 2.050 3.070 2.435 2.407 2.470 . 0 0 "[ . ]" 1
230 2 10 DC H2' 2 10 DC H4' 3.700 2.960 4.440 3.939 3.876 3.969 . 0 0 "[ . ]" 1
231 2 10 DC H2' 2 10 DC H5 3.860 3.090 4.630 4.261 4.126 4.349 . 0 0 "[ . ]" 1
232 2 10 DC H2' 2 10 DC H6 2.410 . 2.890 2.386 2.375 2.395 . 0 0 "[ . ]" 1
233 2 10 DC H2'' 2 10 DC H3' 2.970 2.380 3.970 3.088 3.073 3.115 . 0 0 "[ . ]" 1
234 2 10 DC H2'' 2 10 DC H4' 3.120 2.500 3.740 3.050 3.018 3.074 . 0 0 "[ . ]" 1
235 2 10 DC H2'' 2 10 DC H5 5.090 4.580 6.110 5.916 5.824 5.972 . 0 0 "[ . ]" 1
236 2 10 DC H2'' 2 10 DC H6 3.080 2.460 3.700 3.828 3.813 3.847 0.147 4 0 "[ . ]" 1
237 2 10 DC H3' 2 10 DC H4' 2.920 2.340 3.500 3.007 2.990 3.022 . 0 0 "[ . ]" 1
238 2 10 DC H3' 2 10 DC H6 2.560 2.050 3.070 2.405 2.398 2.418 . 0 0 "[ . ]" 1
239 2 10 DC H5 2 10 DC H6 2.460 . 2.950 2.451 2.411 2.472 . 0 0 "[ . ]" 1
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