NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
615054 |
5uzf   |
30254 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5uzf
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 250
_Distance_constraint_stats_list.Viol_count 924
_Distance_constraint_stats_list.Viol_total 1123.424
_Distance_constraint_stats_list.Viol_max 0.294
_Distance_constraint_stats_list.Viol_rms 0.0743
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0449
_Distance_constraint_stats_list.Viol_average_violations_only 0.1216
_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 3.296 0.225 2 0 "[ . 1]"
1 2 DG 9.246 0.292 3 0 "[ . 1]"
1 3 DA 12.326 0.292 3 0 "[ . 1]"
1 4 DT 8.917 0.262 3 0 "[ . 1]"
1 5 DT 7.964 0.252 9 0 "[ . 1]"
1 6 DT 8.226 0.252 9 0 "[ . 1]"
1 7 DT 7.450 0.247 9 0 "[ . 1]"
1 8 DT 10.743 0.294 3 0 "[ . 1]"
1 9 DT 8.910 0.265 10 0 "[ . 1]"
1 10 DG 6.220 0.284 3 0 "[ . 1]"
1 11 DG 9.255 0.254 2 0 "[ . 1]"
1 12 DC 5.754 0.196 2 0 "[ . 1]"
2 1 DG 0.205 0.037 5 0 "[ . 1]"
2 2 DC 2.032 0.141 3 0 "[ . 1]"
2 3 DC 5.425 0.275 7 0 "[ . 1]"
2 4 DA 7.392 0.275 7 0 "[ . 1]"
2 5 DA 8.264 0.207 3 0 "[ . 1]"
2 6 DA 6.075 0.222 10 0 "[ . 1]"
2 7 DA 2.914 0.155 3 0 "[ . 1]"
2 8 DA 4.767 0.257 9 0 "[ . 1]"
2 9 DA 13.313 0.281 7 0 "[ . 1]"
2 10 DT 12.640 0.281 7 0 "[ . 1]"
2 11 DC 4.990 0.262 9 0 "[ . 1]"
2 12 DG 0.632 0.059 3 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' 3.400 2.890 3.910 2.923 2.913 2.935 . 0 0 "[ . 1]" 1
2 1 1 DC H1' 1 1 DC H2'' 3.290 2.460 4.120 2.237 2.235 2.240 0.225 2 0 "[ . 1]" 1
3 1 1 DC H1' 1 1 DC H4' 3.480 2.960 4.000 3.590 3.533 3.633 . 0 0 "[ . 1]" 1
4 1 1 DC H1' 1 1 DC H6 3.410 2.900 3.920 3.752 3.750 3.754 . 0 0 "[ . 1]" 1
5 1 1 DC H1' 1 2 DG H8 4.410 3.750 5.070 4.000 3.960 4.040 . 0 0 "[ . 1]" 1
6 1 1 DC H2' 1 1 DC H5 4.550 3.870 5.230 4.311 4.304 4.316 . 0 0 "[ . 1]" 1
7 1 1 DC H2' 1 1 DC H6 2.530 2.150 2.910 2.250 2.242 2.257 . 0 0 "[ . 1]" 1
8 1 1 DC H2' 1 2 DG H8 3.030 2.580 3.480 2.747 2.605 2.886 . 0 0 "[ . 1]" 1
9 1 1 DC H2'' 1 1 DC H6 3.560 3.030 4.090 3.829 3.824 3.835 . 0 0 "[ . 1]" 1
10 1 1 DC H2'' 1 2 DG H8 2.860 2.430 3.290 2.324 2.282 2.379 0.148 3 0 "[ . 1]" 1
11 1 1 DC H5 1 1 DC H6 2.500 2.120 2.880 2.459 2.458 2.460 . 0 0 "[ . 1]" 1
12 1 1 DC H6 1 2 DG H8 4.250 3.610 4.890 4.733 4.600 4.867 . 0 0 "[ . 1]" 1
13 1 2 DG H1' 1 2 DG H2' 3.650 3.100 4.200 2.991 2.987 2.995 0.113 3 0 "[ . 1]" 1
14 1 2 DG H1' 1 2 DG H2'' 2.700 2.290 3.110 2.289 2.284 2.294 0.006 3 0 "[ . 1]" 1
15 1 2 DG H1' 1 2 DG H4' 3.750 3.190 4.310 3.166 3.116 3.229 0.074 7 0 "[ . 1]" 1
16 1 2 DG H1' 1 2 DG H8 3.690 3.140 4.240 3.912 3.908 3.916 . 0 0 "[ . 1]" 1
17 1 2 DG H1' 1 3 DA H8 3.040 2.580 3.500 3.673 3.611 3.721 0.221 2 0 "[ . 1]" 1
18 1 2 DG H2' 1 2 DG H8 2.260 . 2.600 2.324 2.291 2.357 . 0 0 "[ . 1]" 1
19 1 2 DG H2' 1 3 DA H8 2.290 . 2.970 3.168 3.066 3.262 0.292 3 0 "[ . 1]" 1
20 1 2 DG H2'' 1 2 DG H8 2.830 . 3.670 3.864 3.833 3.893 0.223 7 0 "[ . 1]" 1
21 1 2 DG H2'' 1 3 DA H8 2.630 2.240 3.020 2.127 2.120 2.145 0.120 9 0 "[ . 1]" 1
22 1 2 DG H8 1 3 DA H8 4.500 3.830 5.170 4.756 4.659 4.851 . 0 0 "[ . 1]" 1
23 1 3 DA H1' 1 3 DA H2' 3.150 2.680 3.620 2.972 2.965 2.978 . 0 0 "[ . 1]" 1
24 1 3 DA H1' 1 3 DA H2'' 2.630 2.240 3.020 2.253 2.247 2.257 . 0 0 "[ . 1]" 1
25 1 3 DA H1' 1 3 DA H4' 3.350 2.850 3.850 3.238 3.186 3.270 . 0 0 "[ . 1]" 1
26 1 3 DA H1' 1 3 DA H8 3.540 3.010 4.070 3.939 3.938 3.940 . 0 0 "[ . 1]" 1
27 1 3 DA H1' 1 4 DT H6 3.160 2.690 3.630 3.709 3.626 3.781 0.151 2 0 "[ . 1]" 1
28 1 3 DA H1' 1 4 DT M7 5.070 4.310 5.830 4.339 4.326 4.358 . 0 0 "[ . 1]" 1
29 1 3 DA H2 2 9 DA H2 3.760 2.580 4.940 5.067 5.052 5.100 0.160 10 0 "[ . 1]" 1
30 1 3 DA H2' 1 3 DA H8 2.310 . 2.660 2.585 2.535 2.659 . 0 0 "[ . 1]" 1
31 1 3 DA H2' 1 4 DT H6 3.160 2.690 3.630 3.056 2.827 3.225 . 0 0 "[ . 1]" 1
32 1 3 DA H2'' 1 3 DA H8 2.990 2.090 3.890 4.106 4.060 4.172 0.282 2 0 "[ . 1]" 1
33 1 3 DA H2'' 1 4 DT H6 2.500 2.130 2.870 2.277 2.244 2.329 . 0 0 "[ . 1]" 1
34 1 3 DA H2'' 1 4 DT M7 4.160 3.540 4.780 3.310 3.278 3.358 0.262 3 0 "[ . 1]" 1
35 1 3 DA H8 1 4 DT H6 4.220 3.590 4.850 4.945 4.875 5.017 0.167 3 0 "[ . 1]" 1
36 1 3 DA H8 1 4 DT M7 3.430 2.920 3.940 3.049 2.921 3.159 . 0 0 "[ . 1]" 1
37 1 4 DT H1' 1 4 DT H2' 3.040 2.580 3.500 2.986 2.977 3.003 . 0 0 "[ . 1]" 1
38 1 4 DT H1' 1 4 DT H2'' 2.650 2.250 3.050 2.279 2.272 2.299 . 0 0 "[ . 1]" 1
39 1 4 DT H1' 1 4 DT H4' 2.860 2.430 3.290 2.796 2.758 2.835 . 0 0 "[ . 1]" 1
40 1 4 DT H1' 1 4 DT H6 3.600 3.060 4.140 3.740 3.731 3.749 . 0 0 "[ . 1]" 1
41 1 4 DT H1' 1 5 DT H6 3.530 2.450 4.610 4.593 4.521 4.634 0.024 10 0 "[ . 1]" 1
42 1 4 DT H1' 1 5 DT M7 5.210 4.430 5.990 4.703 4.637 4.750 . 0 0 "[ . 1]" 1
43 1 4 DT H2' 1 4 DT H6 2.310 . 2.660 2.702 2.570 2.807 0.147 10 0 "[ . 1]" 1
44 1 4 DT H2' 1 5 DT H6 2.970 2.520 3.420 2.916 2.826 3.133 . 0 0 "[ . 1]" 1
45 1 4 DT H2' 1 5 DT M7 3.750 2.650 4.500 2.505 2.462 2.532 0.188 10 0 "[ . 1]" 1
46 1 4 DT H2'' 1 4 DT H6 3.050 2.130 3.970 4.128 4.028 4.200 0.230 10 0 "[ . 1]" 1
47 1 4 DT H2'' 1 5 DT H6 2.330 . 2.680 2.650 2.572 2.686 0.006 9 0 "[ . 1]" 1
48 1 4 DT H2'' 1 5 DT M7 3.970 3.370 4.570 3.532 3.370 3.594 . 0 0 "[ . 1]" 1
49 1 4 DT H6 1 4 DT M7 3.070 2.460 3.680 2.338 2.327 2.346 0.133 3 0 "[ . 1]" 1
50 1 4 DT H6 1 5 DT H6 5.110 4.340 5.880 5.289 5.234 5.362 . 0 0 "[ . 1]" 1
51 1 4 DT H6 1 5 DT M7 3.510 2.980 4.040 3.257 3.216 3.297 . 0 0 "[ . 1]" 1
52 1 5 DT H1' 1 5 DT H2' 2.790 2.370 3.210 3.020 3.018 3.022 . 0 0 "[ . 1]" 1
53 1 5 DT H1' 1 5 DT H2'' 2.420 2.060 2.780 2.324 2.320 2.329 . 0 0 "[ . 1]" 1
54 1 5 DT H1' 1 5 DT H4' 3.200 2.720 3.680 3.121 3.090 3.155 . 0 0 "[ . 1]" 1
55 1 5 DT H1' 1 5 DT H6 3.260 2.770 3.750 3.742 3.740 3.744 . 0 0 "[ . 1]" 1
56 1 5 DT H2' 1 5 DT H6 2.200 . 2.530 2.081 2.070 2.091 . 0 0 "[ . 1]" 1
57 1 5 DT H2' 1 6 DT M7 3.560 3.030 4.090 2.949 2.904 3.013 0.126 2 0 "[ . 1]" 1
58 1 5 DT H2'' 1 5 DT H6 2.610 . 3.390 3.573 3.550 3.595 0.205 3 0 "[ . 1]" 1
59 1 5 DT H2'' 1 6 DT M7 3.630 3.090 4.170 2.917 2.838 3.046 0.252 9 0 "[ . 1]" 1
60 1 5 DT H6 1 5 DT M7 3.050 2.440 3.660 2.231 2.226 2.241 0.214 10 0 "[ . 1]" 1
61 1 6 DT H1' 1 6 DT H4' 3.200 2.720 3.680 3.196 3.101 3.273 . 0 0 "[ . 1]" 1
62 1 6 DT H1' 1 6 DT H6 2.820 . 3.660 3.732 3.722 3.740 0.080 1 0 "[ . 1]" 1
63 1 6 DT H1' 1 7 DT M7 4.530 3.880 5.210 4.134 4.039 4.298 . 0 0 "[ . 1]" 1
64 1 6 DT H2' 1 7 DT M7 3.500 2.970 4.030 2.883 2.834 2.919 0.136 2 0 "[ . 1]" 1
65 1 6 DT H2'' 1 7 DT M7 3.810 3.050 4.380 2.871 2.803 2.995 0.247 9 0 "[ . 1]" 1
66 1 6 DT H6 1 6 DT M7 3.120 2.490 3.750 2.259 2.253 2.267 0.237 1 0 "[ . 1]" 1
67 1 7 DT H1' 1 7 DT H2' 3.030 2.580 3.480 3.029 3.026 3.032 . 0 0 "[ . 1]" 1
68 1 7 DT H1' 1 7 DT H2'' 2.610 2.220 3.000 2.342 2.338 2.347 . 0 0 "[ . 1]" 1
69 1 7 DT H1' 1 7 DT H4' 3.250 2.760 3.740 3.146 3.101 3.191 . 0 0 "[ . 1]" 1
70 1 7 DT H1' 1 7 DT H6 3.380 2.870 3.890 3.739 3.736 3.742 . 0 0 "[ . 1]" 1
71 1 7 DT H1' 1 8 DT H6 3.230 2.750 3.710 3.763 3.699 3.824 0.114 8 0 "[ . 1]" 1
72 1 7 DT H1' 1 8 DT M7 4.990 4.240 5.740 4.202 4.139 4.270 0.101 2 0 "[ . 1]" 1
73 1 7 DT H2' 1 8 DT M7 3.670 3.120 4.220 2.953 2.924 2.969 0.196 3 0 "[ . 1]" 1
74 1 7 DT H2'' 1 8 DT M7 3.700 3.140 4.260 3.166 3.069 3.283 0.071 2 0 "[ . 1]" 1
75 1 7 DT H6 1 7 DT M7 3.090 2.470 3.710 2.269 2.261 2.277 0.209 3 0 "[ . 1]" 1
76 1 8 DT H1' 1 8 DT H2' 3.270 2.780 3.760 3.015 3.006 3.019 . 0 0 "[ . 1]" 1
77 1 8 DT H1' 1 8 DT H2'' 2.550 2.170 2.930 2.316 2.302 2.323 . 0 0 "[ . 1]" 1
78 1 8 DT H1' 1 8 DT H4' 3.180 2.700 3.660 2.880 2.791 2.959 . 0 0 "[ . 1]" 1
79 1 8 DT H1' 1 8 DT H6 3.540 3.010 4.070 3.753 3.751 3.755 . 0 0 "[ . 1]" 1
80 1 8 DT H1' 1 9 DT H6 3.550 2.840 4.270 4.378 4.238 4.535 0.265 10 0 "[ . 1]" 1
81 1 8 DT H1' 1 9 DT M7 5.360 4.560 6.160 4.687 4.567 4.864 . 0 0 "[ . 1]" 1
82 1 8 DT H2' 1 8 DT H6 2.150 . 2.470 2.279 2.207 2.406 . 0 0 "[ . 1]" 1
83 1 8 DT H2' 1 9 DT H6 3.140 2.670 3.610 3.753 3.678 3.830 0.220 2 0 "[ . 1]" 1
84 1 8 DT H2' 1 9 DT M7 3.980 3.380 4.580 3.176 3.141 3.221 0.239 1 0 "[ . 1]" 1
85 1 8 DT H2'' 1 9 DT H6 2.550 2.170 2.930 2.837 2.767 2.935 0.005 10 0 "[ . 1]" 1
86 1 8 DT H2'' 1 9 DT M7 4.220 3.590 4.850 3.548 3.436 3.719 0.154 2 0 "[ . 1]" 1
87 1 8 DT H6 1 8 DT M7 3.330 2.580 3.990 2.304 2.286 2.321 0.294 3 0 "[ . 1]" 1
88 1 8 DT H6 1 9 DT H6 5.160 4.390 5.930 5.233 5.085 5.405 . 0 0 "[ . 1]" 1
89 1 8 DT H6 1 9 DT M7 3.460 2.940 3.980 3.416 3.239 3.685 . 0 0 "[ . 1]" 1
90 1 9 DT H1' 1 9 DT H2' 3.500 2.980 4.020 3.009 2.960 3.028 0.020 8 0 "[ . 1]" 1
91 1 9 DT H1' 1 9 DT H2'' 2.660 2.260 3.060 2.314 2.259 2.341 0.001 10 0 "[ . 1]" 1
92 1 9 DT H1' 1 9 DT H4' 3.040 2.580 3.500 2.902 2.759 2.963 . 0 0 "[ . 1]" 1
93 1 9 DT H1' 1 9 DT H6 3.710 3.150 4.270 3.742 3.734 3.754 . 0 0 "[ . 1]" 1
94 1 9 DT H1' 1 10 DG H8 3.890 3.310 4.470 4.002 3.615 4.587 0.117 10 0 "[ . 1]" 1
95 1 9 DT H2' 1 9 DT H6 2.270 . 2.610 2.121 2.016 2.451 . 0 0 "[ . 1]" 1
96 1 9 DT H2' 1 10 DG H8 3.050 2.590 3.510 3.379 2.550 3.648 0.138 2 0 "[ . 1]" 1
97 1 9 DT H2'' 1 9 DT H6 3.060 2.140 3.980 3.619 3.486 3.967 . 0 0 "[ . 1]" 1
98 1 9 DT H2'' 1 10 DG H8 2.850 2.420 3.280 2.548 2.399 2.796 0.021 6 0 "[ . 1]" 1
99 1 9 DT H6 1 9 DT M7 3.070 2.460 3.680 2.240 2.225 2.256 0.235 9 0 "[ . 1]" 1
100 1 9 DT H6 1 10 DG H8 4.050 3.440 4.660 4.617 4.398 4.920 0.260 9 0 "[ . 1]" 1
101 1 10 DG H1' 1 10 DG H2' 2.720 2.310 3.130 2.972 2.944 2.996 . 0 0 "[ . 1]" 1
102 1 10 DG H1' 1 10 DG H4' 3.750 3.000 4.310 3.042 2.734 3.494 0.266 1 0 "[ . 1]" 1
103 1 10 DG H1' 1 10 DG H8 3.600 3.060 4.140 3.895 3.850 3.923 . 0 0 "[ . 1]" 1
104 1 10 DG H1' 1 11 DG H8 3.010 . 4.060 3.819 3.091 4.314 0.254 2 0 "[ . 1]" 1
105 1 10 DG H2' 1 10 DG H8 2.210 . 2.760 2.640 2.073 3.044 0.284 3 0 "[ . 1]" 1
106 1 10 DG H2' 1 11 DG H8 2.670 . 3.470 2.859 2.202 3.717 0.247 6 0 "[ . 1]" 1
107 1 10 DG H8 1 11 DG H8 4.450 3.780 5.120 4.456 4.264 4.625 . 0 0 "[ . 1]" 1
108 1 11 DG H1' 1 11 DG H2' 2.940 2.500 3.380 2.967 2.958 2.978 . 0 0 "[ . 1]" 1
109 1 11 DG H1' 1 11 DG H2'' 2.570 2.180 2.960 2.270 2.262 2.279 . 0 0 "[ . 1]" 1
110 1 11 DG H1' 1 11 DG H4' 3.430 2.920 3.940 2.779 2.720 2.830 0.200 9 0 "[ . 1]" 1
111 1 11 DG H1' 1 11 DG H8 3.540 3.010 4.070 3.909 3.901 3.915 . 0 0 "[ . 1]" 1
112 1 11 DG H1' 1 12 DC H6 3.200 2.390 4.010 4.127 3.926 4.206 0.196 2 0 "[ . 1]" 1
113 1 11 DG H2' 1 11 DG H8 2.260 . 2.940 2.995 2.946 3.035 0.095 10 0 "[ . 1]" 1
114 1 11 DG H2' 1 12 DC H5 3.980 3.180 4.780 3.098 3.007 3.223 0.173 2 0 "[ . 1]" 1
115 1 11 DG H2' 1 12 DC H6 3.200 2.400 4.000 2.304 2.250 2.326 0.150 5 0 "[ . 1]" 1
116 1 11 DG H2'' 1 11 DG H8 2.950 . 4.200 4.411 4.382 4.433 0.233 10 0 "[ . 1]" 1
117 1 11 DG H2'' 1 12 DC H5 3.930 3.340 4.520 4.280 4.234 4.409 . 0 0 "[ . 1]" 1
118 1 11 DG H2'' 1 12 DC H6 2.740 2.330 3.150 2.479 2.420 2.510 . 0 0 "[ . 1]" 1
119 1 11 DG H8 1 12 DC H5 3.370 2.860 3.880 3.840 3.752 3.917 0.037 3 0 "[ . 1]" 1
120 1 11 DG H8 1 12 DC H6 4.290 3.650 4.930 4.746 4.626 4.840 . 0 0 "[ . 1]" 1
121 1 12 DC H1' 1 12 DC H2' 2.510 2.130 2.890 3.024 2.973 3.038 0.148 10 0 "[ . 1]" 1
122 1 12 DC H1' 1 12 DC H4' 3.030 2.580 3.480 2.951 2.725 3.033 . 0 0 "[ . 1]" 1
123 1 12 DC H1' 1 12 DC H6 3.170 2.700 3.640 3.756 3.718 3.767 0.127 3 0 "[ . 1]" 1
124 1 12 DC H2' 1 12 DC H5 4.440 3.770 5.110 4.526 4.456 4.755 . 0 0 "[ . 1]" 1
125 1 12 DC H5 1 12 DC H6 2.350 . 2.700 2.460 2.460 2.462 . 0 0 "[ . 1]" 1
126 2 1 DG H1' 2 1 DG H2' 3.270 2.780 3.760 2.976 2.960 2.985 . 0 0 "[ . 1]" 1
127 2 1 DG H1' 2 1 DG H2'' 2.470 2.100 2.840 2.264 2.251 2.272 . 0 0 "[ . 1]" 1
128 2 1 DG H1' 2 1 DG H4' 3.800 3.230 4.370 3.431 3.400 3.495 . 0 0 "[ . 1]" 1
129 2 1 DG H1' 2 1 DG H8 3.520 2.990 4.050 3.923 3.920 3.927 . 0 0 "[ . 1]" 1
130 2 1 DG H1' 2 2 DC H6 3.350 2.850 3.850 3.486 3.443 3.518 . 0 0 "[ . 1]" 1
131 2 1 DG H2' 2 1 DG H8 2.340 . 3.040 2.372 2.350 2.422 . 0 0 "[ . 1]" 1
132 2 1 DG H2' 2 2 DC H5 4.090 3.480 4.700 3.754 3.575 3.817 . 0 0 "[ . 1]" 1
133 2 1 DG H2' 2 2 DC H6 2.680 2.140 3.220 3.222 3.116 3.257 0.037 5 0 "[ . 1]" 1
134 2 1 DG H2'' 2 1 DG H8 3.460 2.420 4.500 3.927 3.912 3.965 . 0 0 "[ . 1]" 1
135 2 1 DG H2'' 2 2 DC H5 3.610 3.070 4.150 4.106 4.030 4.161 0.011 8 0 "[ . 1]" 1
136 2 1 DG H2'' 2 2 DC H6 2.800 2.380 3.220 2.408 2.350 2.440 0.030 2 0 "[ . 1]" 1
137 2 1 DG H8 2 2 DC H5 3.690 3.140 4.240 3.938 3.882 4.038 . 0 0 "[ . 1]" 1
138 2 1 DG H8 2 2 DC H6 4.690 3.990 5.390 4.603 4.531 4.662 . 0 0 "[ . 1]" 1
139 2 2 DC H1' 2 2 DC H2' 3.150 2.680 3.620 3.007 3.002 3.011 . 0 0 "[ . 1]" 1
140 2 2 DC H1' 2 2 DC H2'' 2.660 2.260 3.060 2.303 2.297 2.309 . 0 0 "[ . 1]" 1
141 2 2 DC H1' 2 2 DC H4' 3.340 2.840 3.840 2.737 2.699 2.765 0.141 3 0 "[ . 1]" 1
142 2 2 DC H1' 2 2 DC H6 3.650 3.100 4.200 3.754 3.751 3.757 . 0 0 "[ . 1]" 1
143 2 2 DC H1' 2 3 DC H6 3.780 3.210 4.350 4.352 4.296 4.403 0.053 8 0 "[ . 1]" 1
144 2 2 DC H2' 2 2 DC H5 4.470 3.800 5.140 4.550 4.528 4.575 . 0 0 "[ . 1]" 1
145 2 2 DC H2' 2 2 DC H6 2.280 . 2.620 2.562 2.529 2.602 . 0 0 "[ . 1]" 1
146 2 2 DC H2' 2 3 DC H5 3.630 3.090 4.170 3.703 3.536 3.856 . 0 0 "[ . 1]" 1
147 2 2 DC H2' 2 3 DC H6 3.080 2.620 3.540 3.130 2.971 3.301 . 0 0 "[ . 1]" 1
148 2 2 DC H2'' 2 2 DC H6 3.130 2.190 4.070 4.021 3.994 4.049 . 0 0 "[ . 1]" 1
149 2 2 DC H2'' 2 3 DC H5 3.710 3.150 4.270 4.329 4.279 4.393 0.123 3 0 "[ . 1]" 1
150 2 2 DC H2'' 2 3 DC H6 2.700 2.300 3.100 2.705 2.640 2.740 . 0 0 "[ . 1]" 1
151 2 2 DC H5 2 2 DC H6 2.440 2.070 2.810 2.459 2.457 2.460 . 0 0 "[ . 1]" 1
152 2 2 DC H6 2 3 DC H5 3.810 3.240 4.380 4.315 4.110 4.462 0.082 10 0 "[ . 1]" 1
153 2 3 DC H1' 2 3 DC H2'' 3.320 2.490 4.150 2.275 2.263 2.295 0.227 6 0 "[ . 1]" 1
154 2 3 DC H1' 2 3 DC H4' 3.260 2.770 3.750 2.791 2.752 2.822 0.018 3 0 "[ . 1]" 1
155 2 3 DC H1' 2 3 DC H6 3.660 3.110 4.210 3.761 3.760 3.761 . 0 0 "[ . 1]" 1
156 2 3 DC H1' 2 4 DA H8 3.900 3.310 4.490 4.338 4.183 4.564 0.074 10 0 "[ . 1]" 1
157 2 3 DC H2' 2 3 DC H5 4.080 3.470 4.690 4.444 4.431 4.461 . 0 0 "[ . 1]" 1
158 2 3 DC H2' 2 3 DC H6 2.290 . 2.630 2.422 2.389 2.445 . 0 0 "[ . 1]" 1
159 2 3 DC H2' 2 4 DA H8 3.440 2.920 3.960 2.973 2.853 3.129 0.067 6 0 "[ . 1]" 1
160 2 3 DC H2'' 2 3 DC H6 3.020 2.120 3.920 3.939 3.903 3.960 0.040 8 0 "[ . 1]" 1
161 2 3 DC H2'' 2 4 DA H8 3.200 2.720 3.680 2.516 2.445 2.572 0.275 7 0 "[ . 1]" 1
162 2 3 DC H5 2 3 DC H6 2.800 2.380 3.220 2.459 2.458 2.460 . 0 0 "[ . 1]" 1
163 2 3 DC H6 2 4 DA H8 4.860 4.130 5.590 4.976 4.735 5.295 . 0 0 "[ . 1]" 1
164 2 4 DA H1' 2 4 DA H2' 3.160 2.690 3.630 2.979 2.961 2.997 . 0 0 "[ . 1]" 1
165 2 4 DA H1' 2 4 DA H2'' 2.730 2.320 3.140 2.262 2.247 2.280 0.073 9 0 "[ . 1]" 1
166 2 4 DA H1' 2 4 DA H8 3.900 3.310 4.490 3.934 3.922 3.939 . 0 0 "[ . 1]" 1
167 2 4 DA H1' 2 5 DA H8 3.200 2.720 3.680 3.667 3.609 3.715 0.035 9 0 "[ . 1]" 1
168 2 4 DA H2 2 5 DA H2 3.230 2.750 3.710 3.779 3.691 3.854 0.144 3 0 "[ . 1]" 1
169 2 4 DA H2' 2 4 DA H8 2.330 . 2.680 2.501 2.364 2.572 . 0 0 "[ . 1]" 1
170 2 4 DA H2' 2 5 DA H8 3.290 2.800 3.780 2.908 2.758 3.057 0.042 6 0 "[ . 1]" 1
171 2 4 DA H2'' 2 4 DA H8 2.970 2.070 3.870 4.033 3.933 4.089 0.219 2 0 "[ . 1]" 1
172 2 4 DA H2'' 2 5 DA H8 2.740 2.330 3.150 2.273 2.238 2.334 0.092 2 0 "[ . 1]" 1
173 2 4 DA H8 2 5 DA H8 3.850 3.270 4.430 4.575 4.497 4.637 0.207 3 0 "[ . 1]" 1
174 2 5 DA H1' 2 5 DA H2' 3.310 2.810 3.810 2.986 2.981 2.994 . 0 0 "[ . 1]" 1
175 2 5 DA H1' 2 5 DA H2'' 2.720 2.310 3.130 2.271 2.265 2.280 0.045 9 0 "[ . 1]" 1
176 2 5 DA H1' 2 5 DA H4' 3.540 3.010 4.070 2.927 2.896 2.955 0.114 10 0 "[ . 1]" 1
177 2 5 DA H1' 2 5 DA H8 3.270 2.780 3.760 3.938 3.937 3.939 0.179 2 0 "[ . 1]" 1
178 2 5 DA H1' 2 6 DA H8 3.270 2.780 3.760 3.817 3.799 3.851 0.091 10 0 "[ . 1]" 1
179 2 5 DA H2' 2 5 DA H8 2.320 . 2.670 2.737 2.734 2.743 0.073 5 0 "[ . 1]" 1
180 2 5 DA H2' 2 6 DA H8 3.160 2.690 3.630 2.612 2.531 2.760 0.159 9 0 "[ . 1]" 1
181 2 5 DA H2'' 2 5 DA H8 3.230 2.270 4.190 4.213 4.201 4.218 0.028 9 0 "[ . 1]" 1
182 2 6 DA H1' 2 6 DA H2' 3.660 3.110 4.210 2.998 2.985 3.020 0.125 9 0 "[ . 1]" 1
183 2 6 DA H1' 2 6 DA H2'' 2.650 2.250 3.050 2.285 2.268 2.316 . 0 0 "[ . 1]" 1
184 2 6 DA H1' 2 6 DA H4' 3.650 3.100 4.200 3.014 2.997 3.035 0.103 10 0 "[ . 1]" 1
185 2 6 DA H1' 2 6 DA H8 3.730 3.170 4.290 3.935 3.933 3.939 . 0 0 "[ . 1]" 1
186 2 6 DA H1' 2 7 DA H8 3.340 2.840 3.840 3.928 3.857 3.971 0.131 10 0 "[ . 1]" 1
187 2 6 DA H2' 2 6 DA H8 2.280 . 2.620 2.783 2.672 2.842 0.222 10 0 "[ . 1]" 1
188 2 6 DA H2'' 2 7 DA H8 2.560 2.180 2.940 2.168 2.148 2.216 0.032 8 0 "[ . 1]" 1
189 2 7 DA H1' 2 7 DA H2' 3.150 2.680 3.620 2.994 2.993 2.996 . 0 0 "[ . 1]" 1
190 2 7 DA H1' 2 7 DA H2'' 2.640 2.240 3.040 2.279 2.277 2.281 . 0 0 "[ . 1]" 1
191 2 7 DA H1' 2 7 DA H4' 3.450 2.930 3.970 3.264 3.248 3.299 . 0 0 "[ . 1]" 1
192 2 7 DA H1' 2 7 DA H8 3.610 3.070 4.150 3.933 3.930 3.936 . 0 0 "[ . 1]" 1
193 2 7 DA H1' 2 8 DA H8 3.250 2.760 3.740 3.677 3.478 3.770 0.030 10 0 "[ . 1]" 1
194 2 7 DA H2' 2 7 DA H8 2.340 . 2.690 2.466 2.427 2.502 . 0 0 "[ . 1]" 1
195 2 7 DA H2' 2 8 DA H8 2.750 2.340 3.160 3.282 3.236 3.315 0.155 3 0 "[ . 1]" 1
196 2 7 DA H2'' 2 7 DA H8 3.010 2.110 3.910 3.969 3.930 4.004 0.094 9 0 "[ . 1]" 1
197 2 7 DA H2'' 2 8 DA H8 2.450 2.080 2.820 2.200 2.125 2.254 . 0 0 "[ . 1]" 1
198 2 8 DA H1' 2 8 DA H2' 3.220 2.740 3.700 3.002 2.991 3.011 . 0 0 "[ . 1]" 1
199 2 8 DA H1' 2 8 DA H2'' 2.650 2.250 3.050 2.295 2.280 2.307 . 0 0 "[ . 1]" 1
200 2 8 DA H1' 2 8 DA H4' 3.300 2.810 3.790 3.209 3.166 3.247 . 0 0 "[ . 1]" 1
201 2 8 DA H1' 2 8 DA H8 3.740 3.180 4.300 3.934 3.932 3.936 . 0 0 "[ . 1]" 1
202 2 8 DA H1' 2 9 DA H8 3.160 2.690 3.630 3.663 3.501 3.754 0.124 10 0 "[ . 1]" 1
203 2 8 DA H2 2 9 DA H2 3.300 2.800 3.800 3.900 3.857 3.955 0.155 9 0 "[ . 1]" 1
204 2 8 DA H2' 2 8 DA H8 2.380 2.020 2.740 2.448 2.420 2.487 . 0 0 "[ . 1]" 1
205 2 8 DA H2'' 2 8 DA H8 2.820 . 3.740 3.935 3.890 3.997 0.257 9 0 "[ . 1]" 1
206 2 8 DA H2'' 2 9 DA H8 2.430 2.070 2.790 2.224 2.145 2.296 . 0 0 "[ . 1]" 1
207 2 9 DA H1' 2 9 DA H2' 3.290 2.800 3.780 2.976 2.973 2.977 . 0 0 "[ . 1]" 1
208 2 9 DA H1' 2 9 DA H2'' 2.650 2.250 3.050 2.264 2.261 2.266 . 0 0 "[ . 1]" 1
209 2 9 DA H1' 2 9 DA H4' 3.160 2.690 3.630 3.331 3.274 3.393 . 0 0 "[ . 1]" 1
210 2 9 DA H1' 2 9 DA H8 3.590 3.050 4.130 3.932 3.929 3.934 . 0 0 "[ . 1]" 1
211 2 9 DA H1' 2 10 DT H6 3.350 2.850 3.850 3.823 3.711 3.966 0.116 3 0 "[ . 1]" 1
212 2 9 DA H1' 2 10 DT M7 5.310 4.510 6.110 4.370 4.305 4.454 0.205 9 0 "[ . 1]" 1
213 2 9 DA H2' 2 9 DA H8 2.370 2.010 2.730 2.423 2.397 2.449 . 0 0 "[ . 1]" 1
214 2 9 DA H2' 2 10 DT H6 2.810 2.390 3.230 3.320 3.278 3.350 0.120 7 0 "[ . 1]" 1
215 2 9 DA H2' 2 10 DT M7 4.040 3.030 4.850 2.803 2.779 2.827 0.251 8 0 "[ . 1]" 1
216 2 9 DA H2'' 2 9 DA H8 2.890 2.030 3.750 3.972 3.951 3.991 0.241 10 0 "[ . 1]" 1
217 2 9 DA H2'' 2 10 DT H6 2.480 2.110 2.850 2.444 2.407 2.508 . 0 0 "[ . 1]" 1
218 2 9 DA H2'' 2 10 DT M7 4.250 3.550 4.890 3.329 3.269 3.406 0.281 7 0 "[ . 1]" 1
219 2 9 DA H8 2 10 DT H6 4.200 3.570 4.830 4.950 4.919 4.991 0.161 7 0 "[ . 1]" 1
220 2 9 DA H8 2 10 DT M7 3.490 2.970 4.010 2.998 2.952 3.067 0.018 3 0 "[ . 1]" 1
221 2 10 DT H1' 2 10 DT H2' 3.310 2.810 3.810 3.027 3.019 3.032 . 0 0 "[ . 1]" 1
222 2 10 DT H1' 2 10 DT H2'' 2.580 2.190 2.970 2.339 2.322 2.349 . 0 0 "[ . 1]" 1
223 2 10 DT H1' 2 10 DT H4' 3.140 2.670 3.610 3.013 2.923 3.077 . 0 0 "[ . 1]" 1
224 2 10 DT H1' 2 10 DT H6 3.640 3.090 4.190 3.749 3.748 3.752 . 0 0 "[ . 1]" 1
225 2 10 DT H1' 2 11 DC H6 4.220 3.590 4.850 3.670 3.472 4.023 0.118 9 0 "[ . 1]" 1
226 2 10 DT H2' 2 10 DT H6 2.280 . 2.720 2.170 2.146 2.209 . 0 0 "[ . 1]" 1
227 2 10 DT H2' 2 11 DC H5 3.510 2.910 4.110 3.289 3.157 3.362 . 0 0 "[ . 1]" 1
228 2 10 DT H2'' 2 10 DT H6 3.150 2.210 4.090 3.632 3.592 3.704 . 0 0 "[ . 1]" 1
229 2 10 DT H2'' 2 11 DC H5 3.610 3.070 4.150 2.918 2.808 3.089 0.262 9 0 "[ . 1]" 1
230 2 10 DT H2'' 2 11 DC H6 2.610 2.220 3.000 2.282 2.242 2.312 . 0 0 "[ . 1]" 1
231 2 10 DT H6 2 10 DT M7 3.090 2.470 3.710 2.263 2.249 2.272 0.221 3 0 "[ . 1]" 1
232 2 10 DT H6 2 11 DC H5 3.640 3.090 4.190 3.976 3.931 4.018 . 0 0 "[ . 1]" 1
233 2 10 DT H6 2 11 DC H6 5.170 4.390 5.950 5.306 5.265 5.351 . 0 0 "[ . 1]" 1
234 2 10 DT M7 2 11 DC H5 4.950 4.210 5.690 4.174 4.114 4.250 0.096 1 0 "[ . 1]" 1
235 2 11 DC H1' 2 11 DC H2' 3.650 3.100 4.200 2.994 2.990 2.996 0.110 3 0 "[ . 1]" 1
236 2 11 DC H1' 2 11 DC H2'' 2.480 2.110 2.850 2.285 2.279 2.288 . 0 0 "[ . 1]" 1
237 2 11 DC H1' 2 11 DC H4' 3.310 2.810 3.810 3.360 3.323 3.402 . 0 0 "[ . 1]" 1
238 2 11 DC H1' 2 11 DC H6 3.840 3.260 4.420 3.747 3.743 3.750 . 0 0 "[ . 1]" 1
239 2 11 DC H1' 2 12 DG H8 3.760 3.200 4.320 3.935 3.857 4.032 . 0 0 "[ . 1]" 1
240 2 11 DC H2' 2 11 DC H5 4.000 3.400 4.600 4.304 4.279 4.318 . 0 0 "[ . 1]" 1
241 2 11 DC H2' 2 11 DC H6 2.300 . 2.640 2.100 2.062 2.125 . 0 0 "[ . 1]" 1
242 2 11 DC H2' 2 12 DG H8 3.120 2.650 3.590 3.432 3.327 3.546 . 0 0 "[ . 1]" 1
243 2 11 DC H2'' 2 11 DC H5 4.580 3.660 5.500 5.631 5.616 5.650 0.150 9 0 "[ . 1]" 1
244 2 11 DC H2'' 2 11 DC H6 3.160 2.690 3.630 3.661 3.632 3.684 0.054 9 0 "[ . 1]" 1
245 2 11 DC H2'' 2 12 DG H8 2.640 2.240 3.040 2.329 2.273 2.407 . 0 0 "[ . 1]" 1
246 2 11 DC H5 2 11 DC H6 2.370 2.010 2.730 2.459 2.458 2.460 . 0 0 "[ . 1]" 1
247 2 11 DC H6 2 12 DG H8 4.720 4.010 5.430 4.982 4.871 5.112 . 0 0 "[ . 1]" 1
248 2 12 DG H1' 2 12 DG H2' 2.640 2.240 3.040 3.030 3.022 3.035 . 0 0 "[ . 1]" 1
249 2 12 DG H1' 2 12 DG H2'' 2.810 2.390 3.230 2.347 2.331 2.359 0.059 3 0 "[ . 1]" 1
250 2 12 DG H1' 2 12 DG H8 3.350 2.850 3.850 3.870 3.864 3.879 0.029 3 0 "[ . 1]" 1
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