NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
615208 |
5uzi   |
30255 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5uzi
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 253
_Distance_constraint_stats_list.Viol_count 1063
_Distance_constraint_stats_list.Viol_total 1485.546
_Distance_constraint_stats_list.Viol_max 0.298
_Distance_constraint_stats_list.Viol_rms 0.0827
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0587
_Distance_constraint_stats_list.Viol_average_violations_only 0.1398
_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 3.110 0.194 10 0 "[ . 1]"
1 2 DG 9.734 0.233 7 0 "[ . 1]"
1 3 DA 17.941 0.275 6 0 "[ . 1]"
1 4 DT 20.319 0.275 6 0 "[ . 1]"
1 5 DT 15.021 0.278 4 0 "[ . 1]"
1 6 DT 3.694 0.234 10 0 "[ . 1]"
1 7 DT 11.012 0.294 7 0 "[ . 1]"
1 8 DT 12.093 0.254 1 0 "[ . 1]"
1 9 DT 13.657 0.279 9 0 "[ . 1]"
1 10 DG 7.881 0.257 10 0 "[ . 1]"
1 11 DG 12.215 0.237 9 0 "[ . 1]"
1 12 DC 8.437 0.272 4 0 "[ . 1]"
2 1 DG 3.954 0.155 3 0 "[ . 1]"
2 2 DC 7.000 0.225 9 0 "[ . 1]"
2 3 DC 4.145 0.224 1 0 "[ . 1]"
2 4 MA7 2.246 0.141 7 0 "[ . 1]"
2 5 DA 4.411 0.227 10 0 "[ . 1]"
2 6 DA 8.979 0.230 10 0 "[ . 1]"
2 7 DA 7.905 0.275 3 0 "[ . 1]"
2 8 DA 7.898 0.279 3 0 "[ . 1]"
2 9 DA 16.634 0.281 10 0 "[ . 1]"
2 10 DT 16.282 0.298 10 0 "[ . 1]"
2 11 DC 4.956 0.212 10 0 "[ . 1]"
2 12 DG 4.746 0.220 7 0 "[ . 1]"
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' 3.000 2.550 3.450 2.937 2.928 2.947 . 0 0 "[ . 1]" 1
2 1 1 DC H1' 1 1 DC H2'' 2.860 2.430 3.290 2.241 2.236 2.244 0.194 10 0 "[ . 1]" 1
3 1 1 DC H1' 1 1 DC H4' 3.190 2.710 3.670 3.539 3.504 3.570 . 0 0 "[ . 1]" 1
4 1 1 DC H1' 1 1 DC H6 3.310 2.810 3.810 3.748 3.747 3.750 . 0 0 "[ . 1]" 1
5 1 1 DC H1' 1 2 DG H8 4.460 3.790 5.130 3.906 3.856 3.936 . 0 0 "[ . 1]" 1
6 1 1 DC H2' 1 1 DC H5 4.330 3.680 4.980 4.306 4.299 4.313 . 0 0 "[ . 1]" 1
7 1 1 DC H2' 1 1 DC H6 2.480 2.110 2.850 2.237 2.216 2.249 . 0 0 "[ . 1]" 1
8 1 1 DC H2' 1 2 DG H8 2.920 2.480 3.360 2.916 2.755 3.006 . 0 0 "[ . 1]" 1
9 1 1 DC H2'' 1 1 DC H6 3.360 2.690 4.030 3.817 3.801 3.826 . 0 0 "[ . 1]" 1
10 1 1 DC H2'' 1 2 DG H8 2.750 2.340 3.160 2.239 2.219 2.270 0.121 9 0 "[ . 1]" 1
11 1 1 DC H5 1 1 DC H6 2.360 2.010 2.710 2.458 2.457 2.459 . 0 0 "[ . 1]" 1
12 1 1 DC H6 1 2 DG H8 4.070 3.260 4.880 4.881 4.748 4.938 0.058 7 0 "[ . 1]" 1
13 1 2 DG H1' 1 2 DG H2' 3.500 2.980 4.020 2.981 2.975 2.986 0.005 3 0 "[ . 1]" 1
14 1 2 DG H1' 1 2 DG H2'' 2.650 2.250 3.050 2.274 2.270 2.279 . 0 0 "[ . 1]" 1
15 1 2 DG H1' 1 2 DG H4' 4.020 3.420 4.620 3.257 3.210 3.297 0.210 10 0 "[ . 1]" 1
16 1 2 DG H1' 1 2 DG H8 3.680 3.130 4.230 3.915 3.912 3.919 . 0 0 "[ . 1]" 1
17 1 2 DG H1' 1 3 DA H8 3.040 2.580 3.500 3.616 3.582 3.715 0.215 3 0 "[ . 1]" 1
18 1 2 DG H2' 1 2 DG H8 2.160 . 2.480 2.330 2.306 2.356 . 0 0 "[ . 1]" 1
19 1 2 DG H2' 1 3 DA H8 2.240 . 2.800 2.962 2.846 3.006 0.206 9 0 "[ . 1]" 1
20 1 2 DG H2'' 1 2 DG H8 2.910 2.060 3.760 3.898 3.881 3.929 0.169 3 0 "[ . 1]" 1
21 1 2 DG H2'' 1 3 DA H8 2.580 2.190 2.970 2.100 2.079 2.115 0.111 9 0 "[ . 1]" 1
22 1 2 DG H8 1 3 DA H8 3.830 3.260 4.400 4.582 4.548 4.633 0.233 7 0 "[ . 1]" 1
23 1 3 DA H1' 1 3 DA H2' 3.010 2.560 3.460 3.004 3.001 3.006 . 0 0 "[ . 1]" 1
24 1 3 DA H1' 1 3 DA H2'' 2.500 2.120 2.880 2.291 2.289 2.294 . 0 0 "[ . 1]" 1
25 1 3 DA H1' 1 3 DA H4' 3.380 2.870 3.890 3.203 3.181 3.219 . 0 0 "[ . 1]" 1
26 1 3 DA H1' 1 3 DA H8 3.520 2.990 4.050 3.931 3.930 3.931 . 0 0 "[ . 1]" 1
27 1 3 DA H1' 1 4 DT H6 3.100 2.620 3.580 3.785 3.735 3.830 0.250 3 0 "[ . 1]" 1
28 1 3 DA H1' 1 4 DT M7 4.800 4.080 5.520 4.294 4.257 4.328 . 0 0 "[ . 1]" 1
29 1 3 DA H2 2 9 DA H2 3.510 2.460 4.610 4.838 4.798 4.871 0.261 3 0 "[ . 1]" 1
30 1 3 DA H2' 1 3 DA H8 2.240 . 2.580 2.530 2.510 2.550 . 0 0 "[ . 1]" 1
31 1 3 DA H2' 1 4 DT H6 3.050 2.590 3.510 3.621 3.536 3.718 0.208 9 0 "[ . 1]" 1
32 1 3 DA H2' 1 4 DT M7 3.890 3.110 4.470 2.888 2.835 2.948 0.275 6 0 "[ . 1]" 1
33 1 3 DA H2'' 1 3 DA H8 2.970 2.070 3.870 4.008 3.986 4.030 0.160 3 0 "[ . 1]" 1
34 1 3 DA H2'' 1 4 DT H6 2.480 2.110 2.850 2.508 2.470 2.558 . 0 0 "[ . 1]" 1
35 1 3 DA H2'' 1 4 DT M7 3.930 3.340 4.520 3.190 3.174 3.230 0.166 2 0 "[ . 1]" 1
36 1 3 DA H8 1 4 DT H6 4.010 3.010 5.010 5.202 5.161 5.230 0.220 9 0 "[ . 1]" 1
37 1 3 DA H8 1 4 DT M7 3.460 2.940 3.980 3.187 3.139 3.228 . 0 0 "[ . 1]" 1
38 1 4 DT H1' 1 4 DT H2' 3.100 2.640 3.560 3.019 3.016 3.022 . 0 0 "[ . 1]" 1
39 1 4 DT H1' 1 4 DT H2'' 2.470 2.100 2.840 2.324 2.320 2.327 . 0 0 "[ . 1]" 1
40 1 4 DT H1' 1 4 DT H4' 2.850 2.420 3.280 2.961 2.946 2.975 . 0 0 "[ . 1]" 1
41 1 4 DT H1' 1 4 DT H6 3.690 3.140 4.240 3.749 3.749 3.750 . 0 0 "[ . 1]" 1
42 1 4 DT H1' 1 5 DT H6 3.290 2.630 3.950 4.078 4.016 4.110 0.160 4 0 "[ . 1]" 1
43 1 4 DT H1' 1 5 DT M7 4.970 4.220 5.720 4.337 4.291 4.364 . 0 0 "[ . 1]" 1
44 1 4 DT H2' 1 4 DT H6 2.290 . 2.630 2.218 2.204 2.241 . 0 0 "[ . 1]" 1
45 1 4 DT H2' 1 4 DT M7 4.730 4.020 5.440 3.898 3.891 3.909 0.129 2 0 "[ . 1]" 1
46 1 4 DT H2' 1 5 DT H6 2.920 2.480 3.360 3.468 3.439 3.496 0.136 4 0 "[ . 1]" 1
47 1 4 DT H2' 1 5 DT M7 3.590 2.790 4.130 2.655 2.626 2.672 0.164 10 0 "[ . 1]" 1
48 1 4 DT H2'' 1 4 DT H6 2.750 . 3.600 3.718 3.709 3.738 0.138 10 0 "[ . 1]" 1
49 1 4 DT H2'' 1 5 DT H6 2.380 2.020 2.740 2.419 2.371 2.450 . 0 0 "[ . 1]" 1
50 1 4 DT H2'' 1 5 DT M7 3.750 3.190 4.310 3.097 3.057 3.129 0.133 10 0 "[ . 1]" 1
51 1 4 DT H6 1 4 DT M7 3.110 2.490 3.580 2.265 2.254 2.282 0.236 1 0 "[ . 1]" 1
52 1 4 DT H6 1 5 DT H6 4.010 3.210 4.810 4.976 4.955 5.007 0.197 9 0 "[ . 1]" 1
53 1 4 DT H6 1 5 DT M7 3.440 2.920 3.960 2.862 2.855 2.872 0.065 3 0 "[ . 1]" 1
54 1 5 DT H1' 1 5 DT H2' 2.650 2.250 3.050 3.026 3.022 3.029 . 0 0 "[ . 1]" 1
55 1 5 DT H1' 1 5 DT H2'' 2.300 . 2.650 2.337 2.329 2.347 . 0 0 "[ . 1]" 1
56 1 5 DT H1' 1 5 DT H6 2.850 2.140 3.560 3.738 3.736 3.740 0.180 9 0 "[ . 1]" 1
57 1 5 DT H1' 1 6 DT M7 4.190 3.560 4.820 4.135 4.025 4.223 . 0 0 "[ . 1]" 1
58 1 5 DT H2' 1 5 DT H6 2.070 . 2.380 2.068 2.057 2.082 . 0 0 "[ . 1]" 1
59 1 5 DT H2' 1 5 DT M7 4.440 3.770 5.110 3.829 3.820 3.836 . 0 0 "[ . 1]" 1
60 1 5 DT H2' 1 6 DT M7 3.220 2.740 3.700 2.905 2.737 3.089 0.003 1 0 "[ . 1]" 1
61 1 5 DT H2'' 1 5 DT H6 2.520 . 3.280 3.533 3.501 3.558 0.278 4 0 "[ . 1]" 1
62 1 5 DT H2'' 1 6 DT M7 3.420 2.910 3.930 2.755 2.705 2.801 0.205 3 0 "[ . 1]" 1
63 1 5 DT H6 1 5 DT M7 3.070 2.470 3.530 2.242 2.234 2.250 0.236 1 0 "[ . 1]" 1
64 1 6 DT H1' 1 6 DT H2' 2.650 2.250 3.050 3.013 3.011 3.016 . 0 0 "[ . 1]" 1
65 1 6 DT H1' 1 6 DT H2'' 2.230 . 2.560 2.313 2.310 2.317 . 0 0 "[ . 1]" 1
66 1 6 DT H1' 1 7 DT M7 4.180 3.550 4.810 4.203 4.135 4.272 . 0 0 "[ . 1]" 1
67 1 6 DT H2' 1 7 DT M7 3.200 2.720 3.680 2.740 2.696 2.866 0.024 1 0 "[ . 1]" 1
68 1 6 DT H2'' 1 7 DT M7 3.380 2.870 3.890 2.874 2.827 2.931 0.043 6 0 "[ . 1]" 1
69 1 6 DT H6 1 6 DT M7 3.130 2.500 3.600 2.305 2.266 2.327 0.234 10 0 "[ . 1]" 1
70 1 7 DT H1' 1 7 DT H2' 3.010 2.560 3.460 3.014 3.012 3.017 . 0 0 "[ . 1]" 1
71 1 7 DT H1' 1 7 DT H2'' 2.450 2.080 2.820 2.315 2.312 2.320 . 0 0 "[ . 1]" 1
72 1 7 DT H1' 1 7 DT H4' 3.220 2.740 3.700 3.153 3.132 3.176 . 0 0 "[ . 1]" 1
73 1 7 DT H1' 1 7 DT H6 3.310 2.810 3.810 3.734 3.732 3.736 . 0 0 "[ . 1]" 1
74 1 7 DT H1' 1 8 DT H6 3.260 2.770 3.750 3.875 3.838 3.905 0.155 4 0 "[ . 1]" 1
75 1 7 DT H1' 1 8 DT M7 4.870 4.140 5.600 4.222 4.177 4.259 . 0 0 "[ . 1]" 1
76 1 7 DT H2' 1 7 DT M7 3.070 2.610 3.530 3.814 3.807 3.824 0.294 7 0 "[ . 1]" 1
77 1 7 DT H2' 1 8 DT M7 3.570 3.040 4.100 2.921 2.882 2.966 0.158 9 0 "[ . 1]" 1
78 1 7 DT H2'' 1 7 DT H6 2.420 . 3.270 3.545 3.513 3.561 0.291 1 0 "[ . 1]" 1
79 1 7 DT H2'' 1 8 DT M7 3.740 3.180 4.300 3.076 3.034 3.109 0.146 3 0 "[ . 1]" 1
80 1 7 DT H6 1 7 DT M7 3.130 2.510 3.600 2.335 2.321 2.351 0.189 3 0 "[ . 1]" 1
81 1 8 DT H1' 1 8 DT H2' 3.020 2.570 3.470 3.040 3.038 3.042 . 0 0 "[ . 1]" 1
82 1 8 DT H1' 1 8 DT H2'' 2.530 2.150 2.910 2.362 2.359 2.367 . 0 0 "[ . 1]" 1
83 1 8 DT H1' 1 8 DT H4' 3.130 2.660 3.600 3.023 2.996 3.060 . 0 0 "[ . 1]" 1
84 1 8 DT H1' 1 8 DT H6 3.470 2.950 3.990 3.741 3.738 3.745 . 0 0 "[ . 1]" 1
85 1 8 DT H1' 1 9 DT H6 3.460 2.770 4.150 4.263 4.203 4.314 0.164 9 0 "[ . 1]" 1
86 1 8 DT H1' 1 9 DT M7 5.080 4.320 5.840 4.626 4.578 4.678 . 0 0 "[ . 1]" 1
87 1 8 DT H2' 1 8 DT H6 2.160 . 2.480 2.090 2.062 2.113 . 0 0 "[ . 1]" 1
88 1 8 DT H2' 1 9 DT H6 2.840 2.410 3.270 3.447 3.408 3.489 0.219 3 0 "[ . 1]" 1
89 1 8 DT H2' 1 9 DT M7 3.690 3.140 4.240 2.902 2.886 2.920 0.254 1 0 "[ . 1]" 1
90 1 8 DT H2'' 1 8 DT H6 2.690 2.020 3.360 3.515 3.483 3.544 0.184 9 0 "[ . 1]" 1
91 1 8 DT H2'' 1 9 DT H6 2.440 2.070 2.810 2.643 2.628 2.667 . 0 0 "[ . 1]" 1
92 1 8 DT H2'' 1 9 DT M7 4.010 3.410 4.610 3.442 3.399 3.498 0.011 3 0 "[ . 1]" 1
93 1 8 DT H6 1 8 DT M7 3.050 2.440 3.510 2.263 2.248 2.295 0.192 4 0 "[ . 1]" 1
94 1 8 DT H6 1 9 DT H6 3.850 3.270 4.430 4.318 4.288 4.366 . 0 0 "[ . 1]" 1
95 1 9 DT H1' 1 9 DT H2' 3.220 2.740 3.700 3.023 3.018 3.027 . 0 0 "[ . 1]" 1
96 1 9 DT H1' 1 9 DT H2'' 2.540 2.160 2.920 2.334 2.326 2.339 . 0 0 "[ . 1]" 1
97 1 9 DT H1' 1 9 DT H4' 2.820 . 3.660 2.777 2.735 2.818 . 0 0 "[ . 1]" 1
98 1 9 DT H1' 1 9 DT H6 3.730 3.170 4.290 3.725 3.723 3.727 . 0 0 "[ . 1]" 1
99 1 9 DT H1' 1 10 DG H8 3.460 2.770 4.150 4.319 4.249 4.357 0.207 7 0 "[ . 1]" 1
100 1 9 DT H2' 1 9 DT H6 2.460 2.090 2.830 2.143 2.100 2.183 . 0 0 "[ . 1]" 1
101 1 9 DT H2' 1 10 DG H8 3.080 2.620 3.540 3.459 3.285 3.582 0.042 10 0 "[ . 1]" 1
102 1 9 DT H2'' 1 9 DT H6 2.840 2.240 3.440 3.680 3.639 3.719 0.279 9 0 "[ . 1]" 1
103 1 9 DT H2'' 1 10 DG H8 3.080 2.620 3.540 2.565 2.529 2.626 0.091 1 0 "[ . 1]" 1
104 1 9 DT H6 1 9 DT M7 3.110 2.490 3.580 2.262 2.257 2.268 0.233 9 0 "[ . 1]" 1
105 1 9 DT H6 1 10 DG H8 3.770 2.640 4.900 5.037 4.944 5.157 0.257 10 0 "[ . 1]" 1
106 1 10 DG H1' 1 10 DG H2' 2.550 2.170 2.930 2.991 2.986 2.994 0.064 1 0 "[ . 1]" 1
107 1 10 DG H1' 1 10 DG H4' 3.450 2.930 3.970 3.277 3.250 3.325 . 0 0 "[ . 1]" 1
108 1 10 DG H1' 1 10 DG H8 3.570 3.040 4.100 3.890 3.870 3.902 . 0 0 "[ . 1]" 1
109 1 10 DG H1' 1 11 DG H8 2.920 2.340 3.500 3.424 3.367 3.488 . 0 0 "[ . 1]" 1
110 1 10 DG H2' 1 10 DG H8 2.130 . 2.450 2.174 2.106 2.221 . 0 0 "[ . 1]" 1
111 1 10 DG H2' 1 11 DG H8 2.690 2.020 3.360 3.530 3.489 3.568 0.208 10 0 "[ . 1]" 1
112 1 10 DG H8 1 11 DG H8 3.080 2.120 4.040 4.227 4.204 4.240 0.200 4 0 "[ . 1]" 1
113 1 11 DG H1' 1 11 DG H2' 2.880 2.450 3.310 2.989 2.985 2.994 . 0 0 "[ . 1]" 1
114 1 11 DG H1' 1 11 DG H2'' 2.440 . 3.180 2.287 2.284 2.292 . 0 0 "[ . 1]" 1
115 1 11 DG H1' 1 11 DG H4' 3.330 2.830 3.830 2.674 2.659 2.686 0.171 5 0 "[ . 1]" 1
116 1 11 DG H1' 1 11 DG H8 3.630 3.090 4.170 3.910 3.904 3.914 . 0 0 "[ . 1]" 1
117 1 11 DG H1' 1 12 DC H6 3.330 2.830 3.830 3.975 3.942 4.041 0.211 6 0 "[ . 1]" 1
118 1 11 DG H2' 1 11 DG H8 2.290 . 2.860 2.980 2.950 3.033 0.173 9 0 "[ . 1]" 1
119 1 11 DG H2' 1 12 DC H5 3.820 3.250 4.390 3.227 3.155 3.276 0.095 4 0 "[ . 1]" 1
120 1 11 DG H2' 1 12 DC H6 3.050 2.590 3.510 2.385 2.353 2.421 0.237 9 0 "[ . 1]" 1
121 1 11 DG H2'' 1 11 DG H8 3.270 2.290 4.250 4.395 4.372 4.431 0.181 9 0 "[ . 1]" 1
122 1 11 DG H2'' 1 12 DC H5 3.880 3.300 4.460 4.257 4.160 4.313 . 0 0 "[ . 1]" 1
123 1 11 DG H2'' 1 12 DC H6 2.580 2.190 2.970 2.393 2.349 2.422 . 0 0 "[ . 1]" 1
124 1 11 DG H8 1 12 DC H5 3.430 2.920 3.940 3.800 3.703 3.887 . 0 0 "[ . 1]" 1
125 1 11 DG H8 1 12 DC H6 3.540 2.480 4.600 4.665 4.619 4.715 0.115 4 0 "[ . 1]" 1
126 1 12 DC H1' 1 12 DC H2' 2.410 2.050 2.770 3.003 2.984 3.042 0.272 4 0 "[ . 1]" 1
127 1 12 DC H1' 1 12 DC H6 3.230 2.750 3.710 3.734 3.720 3.758 0.048 5 0 "[ . 1]" 1
128 1 12 DC H2' 1 12 DC H5 4.260 3.620 4.900 4.634 4.496 4.703 . 0 0 "[ . 1]" 1
129 1 12 DC H2' 1 12 DC H6 2.330 . 2.680 2.716 2.311 2.902 0.222 7 0 "[ . 1]" 1
130 1 12 DC H5 1 12 DC H6 2.470 2.100 2.840 2.459 2.458 2.460 . 0 0 "[ . 1]" 1
131 2 1 DG H1' 2 1 DG H2' 3.110 2.640 3.580 2.990 2.985 3.000 . 0 0 "[ . 1]" 1
132 2 1 DG H1' 2 1 DG H2'' 2.800 2.380 3.220 2.278 2.272 2.290 0.108 6 0 "[ . 1]" 1
133 2 1 DG H1' 2 1 DG H4' 3.140 2.670 3.610 3.357 3.283 3.390 . 0 0 "[ . 1]" 1
134 2 1 DG H1' 2 1 DG H8 3.360 2.860 3.860 3.919 3.915 3.926 0.066 10 0 "[ . 1]" 1
135 2 1 DG H1' 2 2 DC H6 3.140 2.510 3.770 3.251 3.100 3.370 . 0 0 "[ . 1]" 1
136 2 1 DG H2' 2 1 DG H8 2.290 . 2.980 2.340 2.302 2.417 . 0 0 "[ . 1]" 1
137 2 1 DG H2' 2 2 DC H5 4.040 3.430 4.650 3.679 3.649 3.727 . 0 0 "[ . 1]" 1
138 2 1 DG H2' 2 2 DC H6 2.460 . 2.950 3.070 3.051 3.105 0.155 3 0 "[ . 1]" 1
139 2 1 DG H2'' 2 2 DC H5 3.540 3.010 4.070 4.097 4.080 4.124 0.054 4 0 "[ . 1]" 1
140 2 1 DG H2'' 2 2 DC H6 2.820 2.400 3.240 2.312 2.286 2.334 0.114 7 0 "[ . 1]" 1
141 2 1 DG H8 2 2 DC H5 3.590 3.050 4.130 3.415 3.207 3.586 . 0 0 "[ . 1]" 1
142 2 1 DG H8 2 2 DC H6 4.290 3.650 4.930 4.203 4.027 4.350 . 0 0 "[ . 1]" 1
143 2 2 DC H1' 2 2 DC H2' 3.300 2.810 3.790 3.001 2.993 3.010 . 0 0 "[ . 1]" 1
144 2 2 DC H1' 2 2 DC H2'' 2.550 2.170 2.930 2.295 2.285 2.308 . 0 0 "[ . 1]" 1
145 2 2 DC H1' 2 2 DC H4' 3.140 2.670 3.610 2.731 2.689 2.760 . 0 0 "[ . 1]" 1
146 2 2 DC H1' 2 2 DC H6 3.210 2.730 3.690 3.742 3.737 3.746 0.056 6 0 "[ . 1]" 1
147 2 2 DC H1' 2 3 DC H6 3.660 3.110 4.210 3.930 3.898 3.955 . 0 0 "[ . 1]" 1
148 2 2 DC H2' 2 2 DC H5 4.440 3.770 5.110 4.586 4.560 4.622 . 0 0 "[ . 1]" 1
149 2 2 DC H2' 2 2 DC H6 2.210 . 2.540 2.651 2.616 2.691 0.151 9 0 "[ . 1]" 1
150 2 2 DC H2' 2 3 DC H5 3.490 2.970 4.010 3.392 3.255 3.523 . 0 0 "[ . 1]" 1
151 2 2 DC H2' 2 3 DC H6 3.030 2.580 3.480 3.031 2.913 3.162 . 0 0 "[ . 1]" 1
152 2 2 DC H2'' 2 2 DC H6 3.100 2.320 3.880 4.085 4.065 4.105 0.225 9 0 "[ . 1]" 1
153 2 2 DC H2'' 2 3 DC H5 3.290 2.800 3.780 3.877 3.860 3.899 0.119 1 0 "[ . 1]" 1
154 2 2 DC H2'' 2 3 DC H6 2.530 2.150 2.910 2.304 2.281 2.332 . 0 0 "[ . 1]" 1
155 2 2 DC H5 2 2 DC H6 2.470 2.100 2.840 2.458 2.457 2.459 . 0 0 "[ . 1]" 1
156 2 3 DC H1' 2 3 DC H2' 3.160 2.690 3.630 3.041 3.035 3.046 . 0 0 "[ . 1]" 1
157 2 3 DC H1' 2 3 DC H2'' 2.520 2.140 2.900 2.365 2.352 2.378 . 0 0 "[ . 1]" 1
158 2 3 DC H1' 2 3 DC H4' 3.390 2.880 3.900 3.011 3.003 3.027 . 0 0 "[ . 1]" 1
159 2 3 DC H1' 2 3 DC H6 3.960 3.370 4.550 3.751 3.751 3.752 . 0 0 "[ . 1]" 1
160 2 3 DC H1' 2 4 MA7 H2 4.910 4.170 5.650 4.699 4.649 4.742 . 0 0 "[ . 1]" 1
161 2 3 DC H2' 2 3 DC H5 3.900 3.320 4.480 4.492 4.476 4.503 0.023 1 0 "[ . 1]" 1
162 2 3 DC H2' 2 3 DC H6 2.260 . 2.600 2.296 2.265 2.323 . 0 0 "[ . 1]" 1
163 2 3 DC H2' 2 4 MA7 H2 3.040 2.580 3.500 3.054 2.966 3.166 . 0 0 "[ . 1]" 1
164 2 3 DC H2'' 2 3 DC H6 2.820 2.110 3.530 3.730 3.703 3.754 0.224 1 0 "[ . 1]" 1
165 2 3 DC H2'' 2 4 MA7 H2 2.950 2.510 3.390 2.749 2.677 2.791 . 0 0 "[ . 1]" 1
166 2 3 DC H5 2 3 DC H6 2.530 2.150 2.910 2.458 2.457 2.459 . 0 0 "[ . 1]" 1
167 2 3 DC H5 2 4 MA7 H2 5.660 4.810 6.510 5.394 5.320 5.475 . 0 0 "[ . 1]" 1
168 2 3 DC H6 2 4 MA7 H2 3.710 3.150 4.270 4.374 4.313 4.411 0.141 7 0 "[ . 1]" 1
169 2 4 MA7 H1' 2 4 MA7 H2' . 2.600 3.470 2.968 2.965 2.971 . 0 0 "[ . 1]" 1
170 2 4 MA7 H1' 2 4 MA7 H4' 3.090 2.630 3.550 2.627 2.607 2.659 0.023 9 0 "[ . 1]" 1
171 2 4 MA7 H1' 2 4 MA7 H8 2.470 2.100 2.840 2.596 2.593 2.599 . 0 0 "[ . 1]" 1
172 2 4 MA7 H1' 2 5 DA H8 6.010 5.110 6.910 5.235 5.153 5.420 . 0 0 "[ . 1]" 1
173 2 4 MA7 H8 2 5 DA H2 4.240 3.600 4.880 4.992 4.968 5.013 0.133 9 0 "[ . 1]" 1
174 2 5 DA H1' 2 5 DA H2' 2.790 2.370 3.210 2.954 2.947 2.961 . 0 0 "[ . 1]" 1
175 2 5 DA H1' 2 5 DA H8 4.190 3.560 4.820 3.887 3.869 3.895 . 0 0 "[ . 1]" 1
176 2 5 DA H1' 2 6 DA H8 3.280 2.790 3.770 2.940 2.793 3.050 . 0 0 "[ . 1]" 1
177 2 5 DA H2 2 6 DA H2 3.300 2.800 3.800 3.859 3.801 3.892 0.092 1 0 "[ . 1]" 1
178 2 5 DA H2' 2 5 DA H8 2.920 2.340 3.360 2.174 2.113 2.203 0.227 10 0 "[ . 1]" 1
179 2 5 DA H2' 2 6 DA H8 2.840 2.410 3.270 3.161 3.125 3.207 . 0 0 "[ . 1]" 1
180 2 5 DA H8 2 6 DA H8 3.510 2.810 4.210 4.315 4.268 4.370 0.160 4 0 "[ . 1]" 1
181 2 6 DA H1' 2 6 DA H2' 3.720 3.160 4.280 2.983 2.965 2.997 0.195 10 0 "[ . 1]" 1
182 2 6 DA H1' 2 6 DA H2'' 3.060 2.460 3.520 2.270 2.253 2.285 0.207 10 0 "[ . 1]" 1
183 2 6 DA H1' 2 6 DA H8 4.800 4.080 5.520 3.922 3.914 3.930 0.166 3 0 "[ . 1]" 1
184 2 6 DA H1' 2 7 DA H8 3.250 2.760 3.740 3.938 3.890 3.970 0.230 10 0 "[ . 1]" 1
185 2 6 DA H2' 2 6 DA H8 2.580 2.190 2.970 2.887 2.765 2.990 0.020 3 0 "[ . 1]" 1
186 2 6 DA H2' 2 7 DA H8 2.590 2.200 2.980 2.723 2.420 3.016 0.036 4 0 "[ . 1]" 1
187 2 7 DA H1' 2 7 DA H2' 3.120 2.650 3.590 2.993 2.990 2.996 . 0 0 "[ . 1]" 1
188 2 7 DA H1' 2 7 DA H2'' 2.560 2.180 2.940 2.278 2.274 2.282 . 0 0 "[ . 1]" 1
189 2 7 DA H1' 2 7 DA H4' 3.060 2.600 3.520 3.235 3.217 3.262 . 0 0 "[ . 1]" 1
190 2 7 DA H1' 2 7 DA H8 3.720 3.160 4.280 3.933 3.932 3.934 . 0 0 "[ . 1]" 1
191 2 7 DA H1' 2 8 DA H8 3.390 2.880 3.900 3.759 3.722 3.791 . 0 0 "[ . 1]" 1
192 2 7 DA H2 2 8 DA H2 2.750 . 3.730 3.901 3.888 3.932 0.202 10 0 "[ . 1]" 1
193 2 7 DA H2' 2 7 DA H8 2.390 2.030 2.750 2.556 2.527 2.608 . 0 0 "[ . 1]" 1
194 2 7 DA H2' 2 8 DA H8 2.760 2.350 3.170 3.343 3.308 3.362 0.192 3 0 "[ . 1]" 1
195 2 7 DA H2'' 2 7 DA H8 2.820 . 3.810 4.049 4.023 4.085 0.275 3 0 "[ . 1]" 1
196 2 7 DA H2'' 2 8 DA H8 2.570 2.180 2.960 2.190 2.160 2.213 0.020 3 0 "[ . 1]" 1
197 2 8 DA H1' 2 8 DA H2' 3.140 2.670 3.610 2.983 2.979 2.985 . 0 0 "[ . 1]" 1
198 2 8 DA H1' 2 8 DA H2'' 2.520 2.140 2.900 2.270 2.265 2.273 . 0 0 "[ . 1]" 1
199 2 8 DA H1' 2 8 DA H4' 3.240 2.750 3.730 3.289 3.253 3.330 . 0 0 "[ . 1]" 1
200 2 8 DA H1' 2 8 DA H8 4.060 3.450 4.670 3.925 3.922 3.927 . 0 0 "[ . 1]" 1
201 2 8 DA H1' 2 9 DA H8 3.130 2.660 3.600 3.679 3.569 3.783 0.183 9 0 "[ . 1]" 1
202 2 8 DA H2 2 9 DA H2 3.350 2.850 3.850 4.019 4.000 4.070 0.220 10 0 "[ . 1]" 1
203 2 8 DA H2' 2 8 DA H8 2.420 2.060 2.780 2.397 2.368 2.421 . 0 0 "[ . 1]" 1
204 2 8 DA H2' 2 9 DA H8 2.610 2.090 3.130 3.320 3.256 3.409 0.279 3 0 "[ . 1]" 1
205 2 8 DA H2'' 2 8 DA H8 3.040 2.120 3.960 3.933 3.900 3.957 . 0 0 "[ . 1]" 1
206 2 8 DA H2'' 2 9 DA H8 2.330 . 2.680 2.213 2.186 2.252 . 0 0 "[ . 1]" 1
207 2 9 DA H1' 2 9 DA H2' 2.950 2.510 3.390 2.988 2.985 2.994 . 0 0 "[ . 1]" 1
208 2 9 DA H1' 2 9 DA H2'' 2.510 2.130 2.890 2.278 2.273 2.283 . 0 0 "[ . 1]" 1
209 2 9 DA H1' 2 9 DA H4' 3.370 2.860 3.880 3.282 3.244 3.315 . 0 0 "[ . 1]" 1
210 2 9 DA H1' 2 9 DA H8 3.520 2.990 4.050 3.924 3.923 3.926 . 0 0 "[ . 1]" 1
211 2 9 DA H1' 2 10 DT H6 3.230 2.750 3.710 3.815 3.672 3.868 0.158 8 0 "[ . 1]" 1
212 2 9 DA H1' 2 10 DT M7 4.760 4.050 5.470 4.342 4.264 4.418 . 0 0 "[ . 1]" 1
213 2 9 DA H2' 2 9 DA H8 2.350 . 2.700 2.375 2.362 2.393 . 0 0 "[ . 1]" 1
214 2 9 DA H2' 2 10 DT H6 2.750 2.340 3.300 3.442 3.372 3.499 0.199 6 0 "[ . 1]" 1
215 2 9 DA H2' 2 10 DT M7 3.840 3.070 4.420 2.851 2.789 2.906 0.281 10 0 "[ . 1]" 1
216 2 9 DA H2'' 2 9 DA H8 2.740 . 3.700 3.909 3.892 3.933 0.233 9 0 "[ . 1]" 1
217 2 9 DA H2'' 2 10 DT H6 2.450 2.080 2.820 2.479 2.439 2.498 . 0 0 "[ . 1]" 1
218 2 9 DA H2'' 2 10 DT M7 4.010 3.410 4.610 3.277 3.204 3.364 0.206 10 0 "[ . 1]" 1
219 2 9 DA H8 2 10 DT H6 4.170 3.540 4.800 4.926 4.869 4.996 0.196 10 0 "[ . 1]" 1
220 2 9 DA H8 2 10 DT M7 3.500 2.980 4.020 2.925 2.880 2.976 0.100 1 0 "[ . 1]" 1
221 2 10 DT H1' 2 10 DT H2' 3.080 2.620 3.540 2.992 2.960 3.014 . 0 0 "[ . 1]" 1
222 2 10 DT H1' 2 10 DT H2'' 2.430 2.070 2.790 2.289 2.258 2.314 . 0 0 "[ . 1]" 1
223 2 10 DT H1' 2 10 DT H4' 3.130 2.660 3.600 2.878 2.696 3.050 . 0 0 "[ . 1]" 1
224 2 10 DT H1' 2 10 DT H6 3.750 3.190 4.310 3.746 3.740 3.749 . 0 0 "[ . 1]" 1
225 2 10 DT H1' 2 10 DT M7 5.470 4.650 6.290 5.172 5.168 5.174 . 0 0 "[ . 1]" 1
226 2 10 DT H1' 2 11 DC H6 4.320 3.670 4.970 4.179 3.605 4.683 0.065 10 0 "[ . 1]" 1
227 2 10 DT H2' 2 10 DT H6 2.260 . 2.600 2.355 2.133 2.672 0.072 3 0 "[ . 1]" 1
228 2 10 DT H2' 2 10 DT M7 4.870 4.140 5.600 3.961 3.842 4.139 0.298 10 0 "[ . 1]" 1
229 2 10 DT H2' 2 11 DC H5 3.320 2.820 3.820 2.946 2.709 3.097 0.111 3 0 "[ . 1]" 1
230 2 10 DT H2' 2 11 DC H6 2.960 2.520 3.400 3.189 2.688 3.612 0.212 10 0 "[ . 1]" 1
231 2 10 DT H2'' 2 10 DT H6 3.110 2.330 3.890 3.849 3.643 4.114 0.224 3 0 "[ . 1]" 1
232 2 10 DT H2'' 2 11 DC H5 3.510 2.980 4.040 3.444 2.929 3.952 0.051 10 0 "[ . 1]" 1
233 2 10 DT H2'' 2 11 DC H6 2.630 2.240 3.020 2.389 2.147 2.704 0.093 10 0 "[ . 1]" 1
234 2 10 DT H6 2 10 DT M7 3.100 2.480 3.720 2.248 2.239 2.270 0.241 1 0 "[ . 1]" 1
235 2 10 DT H6 2 11 DC H5 3.680 3.130 4.230 3.879 3.801 3.961 . 0 0 "[ . 1]" 1
236 2 10 DT H6 2 11 DC H6 3.950 2.960 4.940 5.129 5.116 5.145 0.205 10 0 "[ . 1]" 1
237 2 10 DT M7 2 11 DC H5 4.710 4.000 5.420 3.948 3.869 4.044 0.131 3 0 "[ . 1]" 1
238 2 11 DC H1' 2 11 DC H2' 3.250 2.640 3.860 2.995 2.993 3.001 . 0 0 "[ . 1]" 1
239 2 11 DC H1' 2 11 DC H2'' 2.470 2.100 2.840 2.286 2.283 2.292 . 0 0 "[ . 1]" 1
240 2 11 DC H1' 2 11 DC H4' 3.110 2.640 3.580 3.324 3.292 3.388 . 0 0 "[ . 1]" 1
241 2 11 DC H1' 2 11 DC H6 3.990 3.390 4.590 3.735 3.734 3.739 . 0 0 "[ . 1]" 1
242 2 11 DC H1' 2 12 DG H8 3.380 2.870 3.890 3.901 3.864 3.924 0.034 1 0 "[ . 1]" 1
243 2 11 DC H2' 2 11 DC H5 3.630 3.090 4.170 4.270 4.262 4.283 0.113 10 0 "[ . 1]" 1
244 2 11 DC H2' 2 11 DC H6 2.240 . 2.920 2.033 2.014 2.063 . 0 0 "[ . 1]" 1
245 2 11 DC H2' 2 12 DG H8 3.080 2.620 3.540 3.448 3.409 3.476 . 0 0 "[ . 1]" 1
246 2 11 DC H2'' 2 11 DC H6 3.050 2.440 3.660 3.594 3.570 3.627 . 0 0 "[ . 1]" 1
247 2 11 DC H2'' 2 12 DG H8 2.580 2.190 2.970 2.267 2.246 2.288 . 0 0 "[ . 1]" 1
248 2 11 DC H5 2 11 DC H6 2.350 . 2.700 2.458 2.457 2.459 . 0 0 "[ . 1]" 1
249 2 11 DC H6 2 12 DG H8 3.930 2.950 4.910 4.940 4.898 4.970 0.060 9 0 "[ . 1]" 1
250 2 12 DG H1' 2 12 DG H2' 2.530 2.150 2.910 3.028 3.024 3.032 0.122 10 0 "[ . 1]" 1
251 2 12 DG H1' 2 12 DG H2'' 3.000 2.550 3.450 2.337 2.330 2.347 0.220 7 0 "[ . 1]" 1
252 2 12 DG H1' 2 12 DG H8 3.290 2.800 3.780 3.876 3.871 3.881 0.101 4 0 "[ . 1]" 1
253 2 12 DG H2' 2 12 DG H8 2.550 2.170 2.930 2.167 2.163 2.174 0.007 3 0 "[ . 1]" 1
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