NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
566437 |
2m27   |
18902 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m27
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 397
_Distance_constraint_stats_list.Viol_count 340
_Distance_constraint_stats_list.Viol_total 679.374
_Distance_constraint_stats_list.Viol_max 1.437
_Distance_constraint_stats_list.Viol_rms 0.1100
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0171
_Distance_constraint_stats_list.Viol_average_violations_only 0.1998
_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 1.991 0.408 2 0 "[ . 1]"
1 2 DG 4.252 0.408 2 0 "[ . 1]"
1 3 DG 1.439 0.116 6 0 "[ . 1]"
1 4 DG 0.598 0.064 6 0 "[ . 1]"
1 5 DG 1.171 0.127 10 0 "[ . 1]"
1 6 DC 0.733 0.102 1 0 "[ . 1]"
1 7 DG 6.058 0.597 2 1 "[ + . 1]"
1 8 DG 1.557 0.141 6 0 "[ . 1]"
1 9 DG 2.299 0.150 6 0 "[ . 1]"
1 10 DC 1.119 0.150 6 0 "[ . 1]"
1 11 DC 31.824 1.437 6 10 [*****+***-]
1 12 DT 33.099 1.437 6 10 [*****+***-]
1 13 DT 6.195 0.597 2 1 "[ + . 1]"
1 14 DG 0.073 0.073 6 0 "[ . 1]"
1 15 DG 0.652 0.092 1 0 "[ . 1]"
1 16 DG 0.105 0.033 3 0 "[ . 1]"
1 17 DC 0.623 0.145 2 0 "[ . 1]"
1 18 DG 0.879 0.145 2 0 "[ . 1]"
1 19 DG 0.262 0.081 10 0 "[ . 1]"
1 20 DG 0.170 0.035 5 0 "[ . 1]"
1 21 DG 15.992 1.079 5 10 [***-+*****]
1 22 DT 16.187 1.079 5 10 [***-+*****]
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' 2.910 2.330 3.490 2.944 2.919 2.960 . 0 0 "[ . 1]" 1
2 1 1 DC H1' 1 1 DC H2'' 2.330 . 2.800 2.257 2.247 2.264 . 0 0 "[ . 1]" 1
3 1 1 DC H1' 1 1 DC H6 3.620 2.900 4.340 3.725 3.698 3.732 . 0 0 "[ . 1]" 1
4 1 1 DC H1' 1 2 DG H8 4.050 3.240 4.860 4.881 4.375 5.268 0.408 2 0 "[ . 1]" 1
5 1 1 DC H2' 1 1 DC H2'' 1.810 . 2.170 1.811 1.807 1.813 . 0 0 "[ . 1]" 1
6 1 1 DC H2' 1 1 DC H3' 2.410 . 2.890 2.241 2.234 2.248 . 0 0 "[ . 1]" 1
7 1 1 DC H2' 1 1 DC H6 2.390 . 2.870 2.576 2.486 2.861 . 0 0 "[ . 1]" 1
8 1 1 DC H2' 1 2 DG H8 3.060 2.070 4.050 3.041 2.535 3.480 . 0 0 "[ . 1]" 1
9 1 1 DC H2'' 1 1 DC H3' 2.550 2.040 3.060 2.839 2.822 2.862 . 0 0 "[ . 1]" 1
10 1 1 DC H2'' 1 1 DC H6 3.850 3.080 4.620 4.040 3.983 4.227 . 0 0 "[ . 1]" 1
11 1 1 DC H2'' 1 2 DG H8 3.050 2.540 3.560 3.210 2.535 3.625 0.065 6 0 "[ . 1]" 1
12 1 1 DC H3' 1 1 DC H6 3.560 2.850 4.270 3.430 3.260 3.719 . 0 0 "[ . 1]" 1
13 1 1 DC H3' 1 2 DG H8 4.990 4.000 5.980 4.689 4.104 5.164 . 0 0 "[ . 1]" 1
14 1 1 DC H5 1 1 DC H6 2.450 . 2.940 2.450 2.449 2.452 . 0 0 "[ . 1]" 1
15 1 1 DC H6 1 2 DG H8 4.820 3.870 5.770 5.163 4.457 5.449 . 0 0 "[ . 1]" 1
16 1 2 DG H1' 1 2 DG H2' 2.700 2.160 3.240 2.933 2.885 2.950 . 0 0 "[ . 1]" 1
17 1 2 DG H1' 1 2 DG H2'' 2.420 . 2.900 2.260 2.235 2.267 . 0 0 "[ . 1]" 1
18 1 2 DG H1' 1 2 DG H3' 4.080 3.260 4.900 4.002 3.975 4.024 . 0 0 "[ . 1]" 1
19 1 2 DG H1' 1 2 DG H8 3.740 2.990 4.490 3.870 3.849 3.884 . 0 0 "[ . 1]" 1
20 1 2 DG H1' 1 3 DG H8 4.380 3.460 5.300 4.109 3.962 4.961 . 0 0 "[ . 1]" 1
21 1 2 DG H2' 1 2 DG H2'' 1.780 . 2.140 1.807 1.805 1.808 . 0 0 "[ . 1]" 1
22 1 2 DG H2' 1 2 DG H3' 2.390 . 2.870 2.232 2.226 2.234 . 0 0 "[ . 1]" 1
23 1 2 DG H2' 1 2 DG H8 2.540 2.030 3.050 2.662 2.449 3.069 0.019 6 0 "[ . 1]" 1
24 1 2 DG H2' 1 3 DG H8 3.090 2.370 3.810 3.654 3.181 3.873 0.063 8 0 "[ . 1]" 1
25 1 2 DG H2'' 1 2 DG H3' 2.790 2.230 3.350 2.821 2.801 2.911 . 0 0 "[ . 1]" 1
26 1 2 DG H2'' 1 2 DG H8 3.940 3.150 4.730 4.165 4.026 4.404 . 0 0 "[ . 1]" 1
27 1 2 DG H2'' 1 3 DG H5' 3.000 2.200 3.800 2.128 2.084 2.160 0.116 6 0 "[ . 1]" 1
28 1 2 DG H2'' 1 3 DG H8 2.420 . 2.900 2.449 2.286 2.953 0.053 6 0 "[ . 1]" 1
29 1 2 DG H3' 1 2 DG H8 2.970 2.380 3.560 3.624 3.398 3.710 0.150 2 0 "[ . 1]" 1
30 1 2 DG H3' 1 3 DG H8 4.470 3.580 5.360 4.800 4.437 5.063 . 0 0 "[ . 1]" 1
31 1 2 DG H8 1 3 DG H5' 6.000 5.000 7.000 6.078 5.922 6.324 . 0 0 "[ . 1]" 1
32 1 2 DG H8 1 3 DG H8 5.020 3.940 6.100 6.141 6.061 6.201 0.101 6 0 "[ . 1]" 1
33 1 2 DG H8 1 18 DG H1 4.210 2.950 5.470 5.231 5.064 5.330 . 0 0 "[ . 1]" 1
34 1 3 DG H1 1 4 DG H1 3.800 2.700 4.900 3.745 3.389 3.942 . 0 0 "[ . 1]" 1
35 1 3 DG H1 1 7 DG H8 4.500 3.150 5.850 4.285 4.101 4.499 . 0 0 "[ . 1]" 1
36 1 3 DG H1 1 18 DG H1 4.610 3.270 5.950 4.723 4.700 4.738 . 0 0 "[ . 1]" 1
37 1 3 DG H1' 1 3 DG H2' 2.910 2.330 3.490 2.829 2.820 2.852 . 0 0 "[ . 1]" 1
38 1 3 DG H1' 1 3 DG H2'' 2.460 . 2.950 2.242 2.240 2.244 . 0 0 "[ . 1]" 1
39 1 3 DG H1' 1 3 DG H3' 3.950 3.160 4.740 4.069 4.065 4.080 . 0 0 "[ . 1]" 1
40 1 3 DG H1' 1 3 DG H8 3.720 2.980 4.460 3.863 3.859 3.875 . 0 0 "[ . 1]" 1
41 1 3 DG H1' 1 4 DG H8 3.710 2.970 4.450 3.423 3.222 3.518 . 0 0 "[ . 1]" 1
42 1 3 DG H2' 1 3 DG H2'' 1.790 . 2.150 1.807 1.806 1.809 . 0 0 "[ . 1]" 1
43 1 3 DG H2' 1 3 DG H3' 2.120 . 2.540 2.252 2.251 2.255 . 0 0 "[ . 1]" 1
44 1 3 DG H2' 1 3 DG H8 2.050 . 2.460 2.262 2.246 2.284 . 0 0 "[ . 1]" 1
45 1 3 DG H2' 1 4 DG H8 3.050 2.340 3.760 2.540 2.514 2.585 . 0 0 "[ . 1]" 1
46 1 3 DG H2'' 1 3 DG H3' 2.670 2.140 3.200 2.884 2.861 2.892 . 0 0 "[ . 1]" 1
47 1 3 DG H2'' 1 3 DG H4' 3.750 3.000 4.500 3.679 3.650 3.770 . 0 0 "[ . 1]" 1
48 1 3 DG H2'' 1 3 DG H5' 4.510 3.610 5.410 4.316 4.170 4.342 . 0 0 "[ . 1]" 1
49 1 3 DG H2'' 1 3 DG H5'' 4.400 3.520 5.280 5.183 5.086 5.199 . 0 0 "[ . 1]" 1
50 1 3 DG H2'' 1 3 DG H8 3.700 2.960 4.440 3.882 3.874 3.898 . 0 0 "[ . 1]" 1
51 1 3 DG H2'' 1 4 DG H8 2.330 . 2.800 2.305 2.283 2.330 . 0 0 "[ . 1]" 1
52 1 3 DG H3' 1 3 DG H8 3.520 2.820 4.220 2.901 2.836 3.089 . 0 0 "[ . 1]" 1
53 1 3 DG H3' 1 4 DG H8 4.530 3.620 5.440 4.505 4.471 4.543 . 0 0 "[ . 1]" 1
54 1 3 DG H4' 1 3 DG H8 4.450 3.560 5.340 4.519 4.500 4.532 . 0 0 "[ . 1]" 1
55 1 3 DG H5' 1 3 DG H5'' 1.640 . 1.970 1.775 1.774 1.777 . 0 0 "[ . 1]" 1
56 1 3 DG H8 1 4 DG H8 4.620 3.700 5.540 4.503 4.386 4.581 . 0 0 "[ . 1]" 1
57 1 3 DG H8 1 18 DG H1 4.630 3.240 6.020 4.561 4.394 4.763 . 0 0 "[ . 1]" 1
58 1 3 DG H8 1 19 DG H1 5.500 3.850 7.150 5.028 4.443 5.291 . 0 0 "[ . 1]" 1
59 1 4 DG H1 1 5 DG H1 3.910 2.780 5.040 4.183 4.133 4.225 . 0 0 "[ . 1]" 1
60 1 4 DG H1 1 7 DG H8 5.500 3.850 7.150 5.854 5.701 5.976 . 0 0 "[ . 1]" 1
61 1 4 DG H1 1 8 DG H1 4.610 3.270 5.950 4.170 4.155 4.179 . 0 0 "[ . 1]" 1
62 1 4 DG H1 1 8 DG H8 4.640 3.250 6.030 5.704 5.689 5.718 . 0 0 "[ . 1]" 1
63 1 4 DG H1' 1 4 DG H2' 2.930 2.340 3.520 2.924 2.914 2.940 . 0 0 "[ . 1]" 1
64 1 4 DG H1' 1 4 DG H2'' 2.310 . 2.770 2.248 2.245 2.253 . 0 0 "[ . 1]" 1
65 1 4 DG H1' 1 4 DG H3' 3.790 3.030 4.550 3.978 3.969 3.983 . 0 0 "[ . 1]" 1
66 1 4 DG H1' 1 4 DG H8 3.760 3.010 4.510 3.881 3.877 3.883 . 0 0 "[ . 1]" 1
67 1 4 DG H1' 1 5 DG H8 3.650 2.920 4.380 4.406 4.380 4.413 0.033 1 0 "[ . 1]" 1
68 1 4 DG H2' 1 4 DG H2'' 1.770 . 2.120 1.811 1.811 1.812 . 0 0 "[ . 1]" 1
69 1 4 DG H2' 1 4 DG H3' 2.250 . 2.700 2.240 2.239 2.240 . 0 0 "[ . 1]" 1
70 1 4 DG H2' 1 4 DG H8 2.490 . 2.990 2.693 2.574 2.734 . 0 0 "[ . 1]" 1
71 1 4 DG H2' 1 5 DG H8 3.070 2.080 4.060 3.247 3.131 3.476 . 0 0 "[ . 1]" 1
72 1 4 DG H2'' 1 4 DG H3' 2.700 2.160 3.240 2.897 2.886 2.907 . 0 0 "[ . 1]" 1
73 1 4 DG H2'' 1 4 DG H4' 3.610 2.890 4.330 3.454 3.419 3.501 . 0 0 "[ . 1]" 1
74 1 4 DG H2'' 1 4 DG H5' 4.970 3.980 5.960 5.227 5.214 5.242 . 0 0 "[ . 1]" 1
75 1 4 DG H2'' 1 4 DG H5'' 4.690 3.750 5.630 4.874 4.863 4.901 . 0 0 "[ . 1]" 1
76 1 4 DG H2'' 1 4 DG H8 3.870 3.100 4.640 4.197 4.117 4.225 . 0 0 "[ . 1]" 1
77 1 4 DG H2'' 1 5 DG H8 2.510 2.010 3.010 3.044 3.013 3.074 0.064 6 0 "[ . 1]" 1
78 1 4 DG H3' 1 4 DG H8 3.720 2.980 4.460 3.449 3.363 3.538 . 0 0 "[ . 1]" 1
79 1 4 DG H3' 1 5 DG H8 4.740 3.790 5.690 5.165 5.047 5.372 . 0 0 "[ . 1]" 1
80 1 4 DG H5' 1 4 DG H5'' 1.710 . 2.050 1.782 1.782 1.783 . 0 0 "[ . 1]" 1
81 1 4 DG H8 1 19 DG H1 4.530 3.170 5.890 5.130 4.423 5.381 . 0 0 "[ . 1]" 1
82 1 4 DG H8 1 20 DG H1 5.400 3.780 7.020 6.081 5.768 6.329 . 0 0 "[ . 1]" 1
83 1 5 DG H1 1 8 DG H8 5.600 3.920 7.280 6.253 6.141 6.341 . 0 0 "[ . 1]" 1
84 1 5 DG H1 1 9 DG H8 4.640 3.250 6.030 5.271 5.176 5.427 . 0 0 "[ . 1]" 1
85 1 5 DG H1' 1 5 DG H2' 2.830 2.260 3.400 2.937 2.924 2.943 . 0 0 "[ . 1]" 1
86 1 5 DG H1' 1 5 DG H2'' 2.300 . 2.760 2.258 2.255 2.261 . 0 0 "[ . 1]" 1
87 1 5 DG H1' 1 5 DG H3' 3.940 3.150 4.730 4.017 4.012 4.029 . 0 0 "[ . 1]" 1
88 1 5 DG H1' 1 5 DG H8 3.800 3.040 4.560 3.833 3.816 3.839 . 0 0 "[ . 1]" 1
89 1 5 DG H1' 1 6 DC H4' 4.570 3.060 6.080 3.658 3.539 3.747 . 0 0 "[ . 1]" 1
90 1 5 DG H2' 1 5 DG H2'' 1.800 . 2.160 1.813 1.813 1.814 . 0 0 "[ . 1]" 1
91 1 5 DG H2' 1 5 DG H3' 2.140 . 2.570 2.254 2.247 2.259 . 0 0 "[ . 1]" 1
92 1 5 DG H2' 1 5 DG H8 2.550 2.040 3.060 3.117 3.086 3.187 0.127 10 0 "[ . 1]" 1
93 1 5 DG H2'' 1 5 DG H3' 2.750 2.200 3.300 2.798 2.792 2.809 . 0 0 "[ . 1]" 1
94 1 5 DG H2'' 1 5 DG H8 3.830 3.060 4.600 4.466 4.450 4.501 . 0 0 "[ . 1]" 1
95 1 5 DG H3' 1 5 DG H8 3.700 3.020 4.380 4.045 3.990 4.081 . 0 0 "[ . 1]" 1
96 1 5 DG H8 1 20 DG H1 4.470 3.130 5.810 5.391 4.966 5.570 . 0 0 "[ . 1]" 1
97 1 6 DC H1' 1 6 DC H2' 2.840 2.270 3.410 2.919 2.898 2.930 . 0 0 "[ . 1]" 1
98 1 6 DC H1' 1 6 DC H2'' 2.350 . 2.820 2.247 2.241 2.252 . 0 0 "[ . 1]" 1
99 1 6 DC H1' 1 6 DC H3' 3.940 3.150 4.730 4.020 4.011 4.038 . 0 0 "[ . 1]" 1
100 1 6 DC H1' 1 6 DC H6 3.670 2.940 4.400 3.738 3.736 3.740 . 0 0 "[ . 1]" 1
101 1 6 DC H2' 1 6 DC H2'' 1.820 . 2.180 1.811 1.809 1.812 . 0 0 "[ . 1]" 1
102 1 6 DC H2' 1 6 DC H3' 2.240 . 2.690 2.242 2.237 2.248 . 0 0 "[ . 1]" 1
103 1 6 DC H2' 1 6 DC H6 2.410 . 2.890 2.356 2.232 2.413 . 0 0 "[ . 1]" 1
104 1 6 DC H2'' 1 6 DC H3' 2.890 2.310 3.470 2.847 2.840 2.865 . 0 0 "[ . 1]" 1
105 1 6 DC H3' 1 6 DC H6 3.300 2.640 3.960 3.144 2.972 3.228 . 0 0 "[ . 1]" 1
106 1 6 DC H3' 1 7 DG H5' 4.980 3.840 6.120 5.565 5.492 5.623 . 0 0 "[ . 1]" 1
107 1 6 DC H4' 1 6 DC H6 4.080 3.260 4.900 4.324 4.297 4.335 . 0 0 "[ . 1]" 1
108 1 6 DC H4' 1 7 DG H3' 5.010 4.000 6.020 3.928 3.898 4.010 0.102 1 0 "[ . 1]" 1
109 1 6 DC H5 1 6 DC H6 2.450 . 2.940 2.449 2.446 2.451 . 0 0 "[ . 1]" 1
110 1 7 DG H1 1 8 DG H1 3.870 2.750 4.990 4.012 3.434 4.203 . 0 0 "[ . 1]" 1
111 1 7 DG H1 1 13 DT H6 5.500 3.850 7.150 4.766 4.582 4.960 . 0 0 "[ . 1]" 1
112 1 7 DG H1 1 13 DT M7 5.310 4.050 6.570 3.842 3.453 4.160 0.597 2 1 "[ + . 1]" 1
113 1 7 DG H1 1 14 DG H1 4.570 3.240 5.900 4.615 4.473 4.668 . 0 0 "[ . 1]" 1
114 1 7 DG H1 1 14 DG H8 4.410 3.090 5.730 4.302 4.207 4.483 . 0 0 "[ . 1]" 1
115 1 7 DG H1' 1 7 DG H2' 2.950 2.360 3.540 2.944 2.935 2.957 . 0 0 "[ . 1]" 1
116 1 7 DG H1' 1 7 DG H2'' 2.390 . 2.870 2.259 2.254 2.265 . 0 0 "[ . 1]" 1
117 1 7 DG H1' 1 7 DG H8 3.560 2.850 4.270 3.858 3.847 3.870 . 0 0 "[ . 1]" 1
118 1 7 DG H1' 1 8 DG H8 3.860 3.090 4.630 4.182 3.750 4.534 . 0 0 "[ . 1]" 1
119 1 7 DG H1' 1 13 DT M7 5.020 4.010 6.030 3.765 3.577 4.065 0.433 4 0 "[ . 1]" 1
120 1 7 DG H2' 1 7 DG H2'' 1.780 . 2.140 1.810 1.808 1.811 . 0 0 "[ . 1]" 1
121 1 7 DG H2' 1 7 DG H3' 2.320 . 2.780 2.242 2.236 2.252 . 0 0 "[ . 1]" 1
122 1 7 DG H2' 1 7 DG H8 2.810 2.250 3.370 2.888 2.763 3.003 . 0 0 "[ . 1]" 1
123 1 7 DG H2' 1 8 DG H8 3.090 2.370 3.810 2.350 2.330 2.388 0.040 4 0 "[ . 1]" 1
124 1 7 DG H2'' 1 7 DG H3' 2.840 2.270 3.410 2.824 2.803 2.838 . 0 0 "[ . 1]" 1
125 1 7 DG H2'' 1 7 DG H4' 3.640 2.910 4.370 3.702 3.653 3.774 . 0 0 "[ . 1]" 1
126 1 7 DG H2'' 1 7 DG H5' 4.500 3.600 5.400 5.216 5.210 5.218 . 0 0 "[ . 1]" 1
127 1 7 DG H2'' 1 7 DG H5'' 5.140 4.110 6.170 4.910 4.901 4.918 . 0 0 "[ . 1]" 1
128 1 7 DG H2'' 1 7 DG H8 4.080 3.260 4.900 4.322 4.241 4.395 . 0 0 "[ . 1]" 1
129 1 7 DG H2'' 1 8 DG H8 2.480 . 2.980 2.574 2.315 2.828 . 0 0 "[ . 1]" 1
130 1 7 DG H3' 1 7 DG H4' 2.880 2.300 3.460 2.874 2.853 2.889 . 0 0 "[ . 1]" 1
131 1 7 DG H3' 1 7 DG H5' 2.910 2.330 3.490 3.527 3.525 3.532 0.042 6 0 "[ . 1]" 1
132 1 7 DG H3' 1 7 DG H5'' 3.330 2.440 4.220 2.528 2.499 2.553 . 0 0 "[ . 1]" 1
133 1 7 DG H3' 1 7 DG H8 3.810 3.050 4.570 3.846 3.694 3.947 . 0 0 "[ . 1]" 1
134 1 7 DG H3' 1 8 DG H8 4.520 3.620 5.420 4.126 3.982 4.312 . 0 0 "[ . 1]" 1
135 1 7 DG H4' 1 7 DG H8 4.310 3.450 5.170 4.570 4.549 4.598 . 0 0 "[ . 1]" 1
136 1 7 DG H5' 1 7 DG H5'' 1.840 . 2.210 1.783 1.782 1.783 . 0 0 "[ . 1]" 1
137 1 7 DG H8 1 13 DT M7 5.470 3.580 6.560 4.793 4.678 4.993 . 0 0 "[ . 1]" 1
138 1 8 DG H1 1 9 DG H1 3.860 2.740 4.980 4.030 3.966 4.107 . 0 0 "[ . 1]" 1
139 1 8 DG H1 1 14 DG H8 5.490 3.840 7.140 6.061 5.568 6.309 . 0 0 "[ . 1]" 1
140 1 8 DG H1 1 15 DG H1 4.820 3.420 6.220 4.388 4.276 4.453 . 0 0 "[ . 1]" 1
141 1 8 DG H1 1 15 DG H8 4.430 3.100 5.760 5.406 5.205 5.476 . 0 0 "[ . 1]" 1
142 1 8 DG H1' 1 8 DG H2' 2.920 2.340 3.500 2.956 2.951 2.960 . 0 0 "[ . 1]" 1
143 1 8 DG H1' 1 8 DG H2'' 2.280 . 2.740 2.259 2.255 2.264 . 0 0 "[ . 1]" 1
144 1 8 DG H1' 1 8 DG H8 3.880 3.100 4.660 3.885 3.882 3.887 . 0 0 "[ . 1]" 1
145 1 8 DG H1' 1 9 DG H8 3.500 2.800 4.200 4.297 4.273 4.341 0.141 6 0 "[ . 1]" 1
146 1 8 DG H2' 1 8 DG H2'' 1.790 . 2.150 1.813 1.812 1.814 . 0 0 "[ . 1]" 1
147 1 8 DG H2' 1 8 DG H3' 2.000 . 2.400 2.243 2.241 2.247 . 0 0 "[ . 1]" 1
148 1 8 DG H2' 1 8 DG H8 2.290 . 2.750 2.768 2.748 2.791 0.041 5 0 "[ . 1]" 1
149 1 8 DG H2' 1 9 DG H8 3.020 2.320 3.720 3.358 3.275 3.470 . 0 0 "[ . 1]" 1
150 1 8 DG H2'' 1 8 DG H3' 2.700 2.160 3.240 2.864 2.838 2.876 . 0 0 "[ . 1]" 1
151 1 8 DG H2'' 1 8 DG H8 3.870 3.100 4.640 4.251 4.237 4.265 . 0 0 "[ . 1]" 1
152 1 8 DG H2'' 1 9 DG H8 2.410 . 2.890 2.904 2.883 2.943 0.053 6 0 "[ . 1]" 1
153 1 8 DG H3' 1 8 DG H8 3.660 2.930 4.390 3.813 3.747 3.900 . 0 0 "[ . 1]" 1
154 1 8 DG H3' 1 9 DG H8 4.620 3.700 5.540 5.204 5.159 5.283 . 0 0 "[ . 1]" 1
155 1 8 DG H4' 1 8 DG H8 4.570 3.660 5.480 4.795 4.753 4.811 . 0 0 "[ . 1]" 1
156 1 9 DG H1 1 15 DG H8 5.560 3.900 7.220 5.747 5.264 6.031 . 0 0 "[ . 1]" 1
157 1 9 DG H1 1 16 DG H8 4.520 3.210 5.830 5.369 4.953 5.520 . 0 0 "[ . 1]" 1
158 1 9 DG H1' 1 9 DG H2' 2.910 2.330 3.490 2.909 2.828 2.948 . 0 0 "[ . 1]" 1
159 1 9 DG H1' 1 9 DG H2'' 2.310 . 2.770 2.255 2.250 2.258 . 0 0 "[ . 1]" 1
160 1 9 DG H1' 1 9 DG H3' 3.880 3.100 4.660 3.999 3.990 4.013 . 0 0 "[ . 1]" 1
161 1 9 DG H1' 1 9 DG H8 3.700 2.960 4.440 3.831 3.817 3.837 . 0 0 "[ . 1]" 1
162 1 9 DG H2' 1 9 DG H2'' 1.770 . 2.120 1.814 1.813 1.814 . 0 0 "[ . 1]" 1
163 1 9 DG H2' 1 9 DG H3' 2.130 . 2.560 2.251 2.240 2.258 . 0 0 "[ . 1]" 1
164 1 9 DG H2' 1 9 DG H8 2.610 . 3.430 3.250 3.148 3.461 0.031 6 0 "[ . 1]" 1
165 1 9 DG H2' 1 10 DC H5 6.500 5.190 7.810 7.497 7.309 7.831 0.021 6 0 "[ . 1]" 1
166 1 9 DG H2'' 1 9 DG H3' 2.610 2.090 3.130 2.833 2.785 2.930 . 0 0 "[ . 1]" 1
167 1 9 DG H2'' 1 9 DG H8 3.940 3.150 4.730 4.526 4.491 4.592 . 0 0 "[ . 1]" 1
168 1 9 DG H2'' 1 10 DC H5 5.100 4.090 6.110 6.178 6.144 6.233 0.123 10 0 "[ . 1]" 1
169 1 9 DG H3' 1 9 DG H8 3.810 3.050 4.570 3.919 3.362 4.201 . 0 0 "[ . 1]" 1
170 1 9 DG H3' 1 10 DC H6 5.580 4.570 6.590 5.529 5.251 5.990 . 0 0 "[ . 1]" 1
171 1 9 DG H4' 1 10 DC H5' 4.000 2.490 5.510 2.455 2.340 2.515 0.150 6 0 "[ . 1]" 1
172 1 9 DG H4' 1 10 DC H5'' 4.000 2.690 5.310 3.209 2.818 3.950 . 0 0 "[ . 1]" 1
173 1 10 DC H1' 1 10 DC H2' 2.800 2.240 3.360 2.891 2.829 2.916 . 0 0 "[ . 1]" 1
174 1 10 DC H1' 1 10 DC H2'' 2.440 . 2.930 2.249 2.246 2.251 . 0 0 "[ . 1]" 1
175 1 10 DC H1' 1 10 DC H3' 3.960 3.170 4.750 4.016 4.010 4.039 . 0 0 "[ . 1]" 1
176 1 10 DC H1' 1 10 DC H6 3.560 2.850 4.270 3.651 3.650 3.657 . 0 0 "[ . 1]" 1
177 1 10 DC H2' 1 10 DC H2'' 1.820 . 2.180 1.811 1.810 1.812 . 0 0 "[ . 1]" 1
178 1 10 DC H2' 1 10 DC H3' 2.260 . 2.710 2.237 2.236 2.240 . 0 0 "[ . 1]" 1
179 1 10 DC H2' 1 10 DC H6 3.390 2.410 4.370 3.232 3.183 3.324 . 0 0 "[ . 1]" 1
180 1 10 DC H2' 1 11 DC H6 6.000 5.000 7.000 6.133 5.841 6.261 . 0 0 "[ . 1]" 1
181 1 10 DC H2'' 1 10 DC H3' 2.690 2.150 3.230 2.878 2.861 2.918 . 0 0 "[ . 1]" 1
182 1 10 DC H2'' 1 10 DC H6 3.950 3.220 4.680 4.390 4.374 4.399 . 0 0 "[ . 1]" 1
183 1 10 DC H2'' 1 11 DC H5 6.500 5.490 7.510 6.139 5.490 6.333 . 0 0 "[ . 1]" 1
184 1 10 DC H2'' 1 11 DC H6 5.310 4.210 6.410 5.356 4.685 5.683 . 0 0 "[ . 1]" 1
185 1 10 DC H3' 1 10 DC H6 3.340 2.350 4.330 3.527 3.181 3.659 . 0 0 "[ . 1]" 1
186 1 10 DC H3' 1 11 DC H5 4.950 4.010 5.890 4.785 4.003 5.523 0.007 2 0 "[ . 1]" 1
187 1 10 DC H3' 1 11 DC H6 4.500 3.510 5.490 4.978 4.705 5.472 . 0 0 "[ . 1]" 1
188 1 10 DC H4' 1 10 DC H6 4.130 3.360 4.900 4.063 3.906 4.133 . 0 0 "[ . 1]" 1
189 1 10 DC H4' 1 11 DC H5' 5.580 4.580 6.580 5.856 5.594 6.020 . 0 0 "[ . 1]" 1
190 1 10 DC H4' 1 11 DC H5'' 4.980 3.980 5.980 4.819 4.671 5.026 . 0 0 "[ . 1]" 1
191 1 10 DC H5 1 10 DC H6 2.320 . 2.780 2.448 2.444 2.450 . 0 0 "[ . 1]" 1
192 1 11 DC H1' 1 11 DC Q2' . 2.340 2.750 2.172 2.166 2.177 0.174 6 0 "[ . 1]" 1
193 1 11 DC H1' 1 11 DC H6 3.650 2.920 4.380 3.657 3.650 3.706 . 0 0 "[ . 1]" 1
194 1 11 DC H1' 1 12 DT M7 4.500 3.400 5.600 4.414 4.383 4.561 . 0 0 "[ . 1]" 1
195 1 11 DC H2' 1 11 DC H2'' 1.820 . 2.180 1.811 1.809 1.811 . 0 0 "[ . 1]" 1
196 1 11 DC Q2' 1 11 DC H3' 2.460 2.180 2.950 2.163 2.161 2.164 0.019 2 0 "[ . 1]" 1
197 1 11 DC Q2' 1 11 DC H6 3.370 3.220 3.840 3.138 2.829 3.184 0.391 6 0 "[ . 1]" 1
198 1 11 DC Q2' 1 12 DT Q5' 4.710 3.670 5.750 2.596 2.294 4.410 1.376 1 9 "[+**** ***-]" 1
199 1 11 DC Q2' 1 12 DT H6 4.160 4.000 5.090 3.375 3.243 4.098 0.757 5 9 "[****+ ***-]" 1
200 1 11 DC Q2' 1 12 DT M7 5.100 4.100 5.500 2.999 2.663 3.051 1.437 6 10 [*****+-***] 1
201 1 11 DC H3' 1 11 DC H6 3.800 3.040 4.560 3.531 3.457 3.611 . 0 0 "[ . 1]" 1
202 1 11 DC H3' 1 12 DT Q5' 4.800 3.730 5.870 3.739 3.613 3.991 0.117 2 0 "[ . 1]" 1
203 1 11 DC H3' 1 12 DT H6 5.800 4.960 6.640 5.452 4.885 5.567 0.075 6 0 "[ . 1]" 1
204 1 11 DC H3' 1 12 DT M7 5.200 4.160 6.240 4.961 4.266 5.062 . 0 0 "[ . 1]" 1
205 1 11 DC H4' 1 11 DC H6 4.530 3.620 5.440 3.975 3.937 4.107 . 0 0 "[ . 1]" 1
206 1 11 DC H5 1 11 DC H6 2.440 . 2.930 2.450 2.449 2.451 . 0 0 "[ . 1]" 1
207 1 11 DC H6 1 12 DT M7 5.920 4.720 7.120 5.423 5.215 5.867 . 0 0 "[ . 1]" 1
208 1 12 DT H1' 1 12 DT H2' 2.830 2.260 3.400 2.954 2.942 2.965 . 0 0 "[ . 1]" 1
209 1 12 DT H1' 1 12 DT H2'' 2.350 . 2.820 2.253 2.249 2.259 . 0 0 "[ . 1]" 1
210 1 12 DT H1' 1 12 DT H3' 3.850 3.080 4.620 3.965 3.953 3.980 . 0 0 "[ . 1]" 1
211 1 12 DT H1' 1 12 DT H6 3.650 2.920 4.380 3.741 3.736 3.745 . 0 0 "[ . 1]" 1
212 1 12 DT H1' 1 13 DT H6 5.810 4.570 7.050 6.953 6.812 7.012 . 0 0 "[ . 1]" 1
213 1 12 DT H1' 1 13 DT M7 5.500 4.490 6.510 5.461 5.389 5.505 . 0 0 "[ . 1]" 1
214 1 12 DT H2' 1 12 DT H2'' 1.790 . 2.150 1.811 1.810 1.812 . 0 0 "[ . 1]" 1
215 1 12 DT H2' 1 12 DT H3' 2.280 . 2.740 2.245 2.239 2.254 . 0 0 "[ . 1]" 1
216 1 12 DT H2' 1 12 DT H6 3.360 2.510 4.210 2.389 2.369 2.410 0.141 6 0 "[ . 1]" 1
217 1 12 DT H2' 1 13 DT H3' 4.900 3.830 5.970 5.343 5.113 5.813 . 0 0 "[ . 1]" 1
218 1 12 DT H2' 1 13 DT H6 5.280 4.080 6.480 5.158 4.902 5.672 . 0 0 "[ . 1]" 1
219 1 12 DT H2'' 1 12 DT H3' 2.630 2.100 3.160 2.831 2.808 2.847 . 0 0 "[ . 1]" 1
220 1 12 DT H2'' 1 12 DT H6 3.940 3.190 4.690 3.922 3.904 3.936 . 0 0 "[ . 1]" 1
221 1 12 DT H2'' 1 13 DT H6 4.960 3.860 5.930 4.960 4.884 5.097 . 0 0 "[ . 1]" 1
222 1 12 DT H3' 1 12 DT H6 3.930 3.340 4.520 3.443 3.332 3.583 0.008 2 0 "[ . 1]" 1
223 1 12 DT H3' 1 13 DT H3' 4.750 3.240 6.260 3.365 3.174 3.893 0.066 5 0 "[ . 1]" 1
224 1 12 DT H3' 1 13 DT H5' 4.900 3.890 5.910 4.810 4.742 4.902 . 0 0 "[ . 1]" 1
225 1 12 DT H3' 1 13 DT H5'' 4.600 3.690 5.510 3.690 3.555 4.087 0.135 2 0 "[ . 1]" 1
226 1 12 DT H3' 1 13 DT M7 4.500 3.490 5.510 3.995 3.385 4.447 0.105 5 0 "[ . 1]" 1
227 1 12 DT H4' 1 12 DT H6 4.630 3.720 5.540 4.479 4.440 4.497 . 0 0 "[ . 1]" 1
228 1 12 DT Q5' 1 12 DT H6 3.830 2.920 4.510 2.855 2.750 3.659 0.170 2 0 "[ . 1]" 1
229 1 12 DT H6 1 12 DT M7 2.710 2.170 3.250 2.364 2.361 2.369 . 0 0 "[ . 1]" 1
230 1 13 DT H1' 1 13 DT H2' 2.700 2.160 3.240 2.864 2.846 2.898 . 0 0 "[ . 1]" 1
231 1 13 DT H1' 1 13 DT H2'' 2.250 . 2.700 2.247 2.245 2.249 . 0 0 "[ . 1]" 1
232 1 13 DT H1' 1 13 DT H3' 3.840 3.070 4.610 4.030 3.995 4.052 . 0 0 "[ . 1]" 1
233 1 13 DT H1' 1 13 DT H6 3.530 2.820 4.240 3.730 3.720 3.735 . 0 0 "[ . 1]" 1
234 1 13 DT H1' 1 14 DG H8 3.990 3.030 4.950 4.278 4.026 4.571 . 0 0 "[ . 1]" 1
235 1 13 DT H2' 1 13 DT H2'' 1.810 . 2.170 1.811 1.810 1.811 . 0 0 "[ . 1]" 1
236 1 13 DT H2' 1 13 DT H3' 2.380 . 2.860 2.242 2.239 2.244 . 0 0 "[ . 1]" 1
237 1 13 DT H2' 1 13 DT H6 2.700 . 3.540 2.427 2.333 2.577 . 0 0 "[ . 1]" 1
238 1 13 DT H2' 1 14 DG H8 3.070 2.350 3.790 2.713 2.459 2.889 . 0 0 "[ . 1]" 1
239 1 13 DT H2'' 1 13 DT H3' 2.860 2.290 3.430 2.892 2.869 2.905 . 0 0 "[ . 1]" 1
240 1 13 DT H2'' 1 13 DT H6 3.710 2.970 4.450 3.885 3.815 3.988 . 0 0 "[ . 1]" 1
241 1 13 DT H2'' 1 14 DG H8 2.600 . 3.320 2.493 2.331 2.767 . 0 0 "[ . 1]" 1
242 1 13 DT H3' 1 13 DT H6 3.550 2.640 4.460 2.749 2.605 2.923 0.035 3 0 "[ . 1]" 1
243 1 13 DT H3' 1 14 DG H8 4.430 3.540 5.320 4.236 4.042 4.533 . 0 0 "[ . 1]" 1
244 1 13 DT H6 1 13 DT M7 2.880 2.300 3.460 2.369 2.366 2.370 . 0 0 "[ . 1]" 1
245 1 13 DT H6 1 14 DG H8 5.090 4.070 6.110 5.059 4.683 5.349 . 0 0 "[ . 1]" 1
246 1 14 DG H1 1 15 DG H1 3.810 2.710 4.910 4.156 3.845 4.440 . 0 0 "[ . 1]" 1
247 1 14 DG H1 1 18 DG H1 4.510 3.200 5.820 4.057 4.032 4.089 . 0 0 "[ . 1]" 1
248 1 14 DG H1 1 18 DG H8 4.270 3.020 5.520 5.296 5.154 5.342 . 0 0 "[ . 1]" 1
249 1 14 DG H1' 1 14 DG H2' 2.750 2.200 3.300 2.911 2.896 2.969 . 0 0 "[ . 1]" 1
250 1 14 DG H1' 1 14 DG H2'' 2.240 . 2.690 2.248 2.244 2.278 . 0 0 "[ . 1]" 1
251 1 14 DG H1' 1 14 DG H3' 3.820 3.060 4.580 3.989 3.969 3.999 . 0 0 "[ . 1]" 1
252 1 14 DG H1' 1 14 DG H8 3.830 3.060 4.600 3.887 3.883 3.891 . 0 0 "[ . 1]" 1
253 1 14 DG H1' 1 15 DG H8 3.460 2.770 4.150 3.725 2.697 3.997 0.073 6 0 "[ . 1]" 1
254 1 14 DG H2' 1 14 DG H2'' 1.890 . 2.270 1.811 1.808 1.812 . 0 0 "[ . 1]" 1
255 1 14 DG H2' 1 14 DG H3' 2.130 . 2.560 2.238 2.236 2.248 . 0 0 "[ . 1]" 1
256 1 14 DG H2' 1 14 DG H8 2.400 . 2.880 2.621 2.348 2.730 . 0 0 "[ . 1]" 1
257 1 14 DG H2' 1 15 DG H8 3.010 2.310 3.710 2.816 2.605 3.302 . 0 0 "[ . 1]" 1
258 1 14 DG H2'' 1 14 DG H3' 2.720 2.180 3.260 2.886 2.795 2.900 . 0 0 "[ . 1]" 1
259 1 14 DG H2'' 1 14 DG H4' 3.620 2.900 4.340 3.497 3.439 3.809 . 0 0 "[ . 1]" 1
260 1 14 DG H2'' 1 14 DG H5' 4.570 3.660 5.480 5.206 5.196 5.228 . 0 0 "[ . 1]" 1
261 1 14 DG H2'' 1 14 DG H5'' 4.300 3.440 5.160 4.867 4.859 4.883 . 0 0 "[ . 1]" 1
262 1 14 DG H2'' 1 14 DG H8 3.880 3.100 4.660 4.144 3.934 4.218 . 0 0 "[ . 1]" 1
263 1 14 DG H2'' 1 15 DG H8 2.620 . 3.300 2.457 2.275 2.562 . 0 0 "[ . 1]" 1
264 1 14 DG H3' 1 14 DG H8 3.630 2.900 4.360 3.364 3.268 3.792 . 0 0 "[ . 1]" 1
265 1 14 DG H3' 1 15 DG H8 4.670 3.740 5.600 4.702 4.505 4.997 . 0 0 "[ . 1]" 1
266 1 14 DG H4' 1 14 DG H8 4.950 3.960 5.940 4.695 4.615 4.803 . 0 0 "[ . 1]" 1
267 1 14 DG H5' 1 14 DG H5'' 1.790 . 2.150 1.783 1.782 1.784 . 0 0 "[ . 1]" 1
268 1 14 DG H8 1 15 DG H8 4.540 3.630 5.450 4.999 4.701 5.223 . 0 0 "[ . 1]" 1
269 1 15 DG H1 1 19 DG H8 4.550 3.200 5.900 5.619 5.593 5.635 . 0 0 "[ . 1]" 1
270 1 15 DG H1' 1 15 DG H2' 2.790 2.230 3.350 2.914 2.904 2.932 . 0 0 "[ . 1]" 1
271 1 15 DG H1' 1 15 DG H2'' 2.270 . 2.720 2.248 2.246 2.251 . 0 0 "[ . 1]" 1
272 1 15 DG H1' 1 15 DG H3' 3.880 3.100 4.660 3.971 3.960 3.976 . 0 0 "[ . 1]" 1
273 1 15 DG H1' 1 15 DG H8 3.880 3.100 4.660 3.872 3.864 3.888 . 0 0 "[ . 1]" 1
274 1 15 DG H1' 1 16 DG H8 3.600 2.820 4.380 3.776 3.738 3.831 . 0 0 "[ . 1]" 1
275 1 15 DG H2' 1 15 DG H2'' 1.800 . 2.160 1.812 1.811 1.813 . 0 0 "[ . 1]" 1
276 1 15 DG H2' 1 15 DG H3' 2.340 . 2.810 2.240 2.237 2.242 . 0 0 "[ . 1]" 1
277 1 15 DG H2' 1 15 DG H8 2.370 . 2.840 2.883 2.693 2.932 0.092 1 0 "[ . 1]" 1
278 1 15 DG H2' 1 16 DG H8 3.020 2.260 3.780 2.588 2.441 2.728 . 0 0 "[ . 1]" 1
279 1 15 DG H2'' 1 15 DG H3' 2.750 2.200 3.300 2.905 2.888 2.917 . 0 0 "[ . 1]" 1
280 1 15 DG H2'' 1 15 DG H4' 3.590 2.870 4.310 3.383 3.332 3.454 . 0 0 "[ . 1]" 1
281 1 15 DG H2'' 1 15 DG H5' 5.130 4.100 6.160 5.190 5.170 5.221 . 0 0 "[ . 1]" 1
282 1 15 DG H2'' 1 15 DG H5'' 4.740 3.790 5.690 4.872 4.858 4.884 . 0 0 "[ . 1]" 1
283 1 15 DG H2'' 1 15 DG H8 3.960 3.170 4.750 4.317 4.199 4.348 . 0 0 "[ . 1]" 1
284 1 15 DG H2'' 1 16 DG H8 2.610 . 3.310 2.253 2.235 2.273 . 0 0 "[ . 1]" 1
285 1 15 DG H3' 1 15 DG H8 3.640 2.910 4.370 3.463 3.348 3.655 . 0 0 "[ . 1]" 1
286 1 15 DG H3' 1 16 DG H8 4.650 3.720 5.580 4.443 4.310 4.573 . 0 0 "[ . 1]" 1
287 1 15 DG H5' 1 15 DG H5'' 1.840 . 2.210 1.783 1.782 1.783 . 0 0 "[ . 1]" 1
288 1 16 DG H1 1 19 DG H8 4.880 3.430 6.330 5.618 5.446 5.963 . 0 0 "[ . 1]" 1
289 1 16 DG H1 1 20 DG H1 4.390 3.120 5.660 4.333 4.244 4.404 . 0 0 "[ . 1]" 1
290 1 16 DG H1 1 20 DG H8 4.330 3.070 5.590 5.093 4.926 5.427 . 0 0 "[ . 1]" 1
291 1 16 DG H1' 1 16 DG H2' 2.980 2.380 3.580 2.959 2.952 2.966 . 0 0 "[ . 1]" 1
292 1 16 DG H1' 1 16 DG H2'' 2.330 . 2.800 2.267 2.263 2.271 . 0 0 "[ . 1]" 1
293 1 16 DG H1' 1 16 DG H3' 3.900 3.120 4.680 3.973 3.964 3.981 . 0 0 "[ . 1]" 1
294 1 16 DG H1' 1 16 DG H8 3.830 3.060 4.600 3.866 3.857 3.879 . 0 0 "[ . 1]" 1
295 1 16 DG H2' 1 16 DG H2'' 1.810 . 2.170 1.813 1.812 1.814 . 0 0 "[ . 1]" 1
296 1 16 DG H2' 1 16 DG H3' 2.220 . 2.660 2.248 2.243 2.251 . 0 0 "[ . 1]" 1
297 1 16 DG H2' 1 16 DG H8 2.410 . 2.890 2.871 2.791 2.923 0.033 3 0 "[ . 1]" 1
298 1 16 DG H2'' 1 16 DG H3' 2.730 2.180 3.280 2.822 2.812 2.832 . 0 0 "[ . 1]" 1
299 1 16 DG H2'' 1 16 DG H8 3.810 3.050 4.570 4.315 4.265 4.348 . 0 0 "[ . 1]" 1
300 1 16 DG H3' 1 16 DG H8 3.580 2.860 4.300 3.955 3.907 4.023 . 0 0 "[ . 1]" 1
301 1 16 DG H4' 1 17 DC H6 5.350 3.840 6.860 5.179 4.695 5.606 . 0 0 "[ . 1]" 1
302 1 17 DC H1' 1 17 DC H2' 2.750 2.200 3.300 2.890 2.835 2.926 . 0 0 "[ . 1]" 1
303 1 17 DC H1' 1 17 DC H2'' 2.110 . 2.530 2.249 2.246 2.253 . 0 0 "[ . 1]" 1
304 1 17 DC H1' 1 17 DC H3' 3.830 3.060 4.600 4.010 4.004 4.017 . 0 0 "[ . 1]" 1
305 1 17 DC H1' 1 17 DC H6 3.510 2.810 4.210 3.726 3.698 3.734 . 0 0 "[ . 1]" 1
306 1 17 DC H2' 1 17 DC H2'' 1.760 . 2.110 1.811 1.810 1.812 . 0 0 "[ . 1]" 1
307 1 17 DC H2' 1 17 DC H3' 2.100 . 2.520 2.240 2.237 2.247 . 0 0 "[ . 1]" 1
308 1 17 DC H2' 1 17 DC H6 2.500 . 3.000 2.552 2.347 2.903 . 0 0 "[ . 1]" 1
309 1 17 DC H2'' 1 17 DC H3' 2.820 2.260 3.380 2.885 2.854 2.919 . 0 0 "[ . 1]" 1
310 1 17 DC H2'' 1 17 DC H6 3.780 3.020 4.540 3.987 3.811 4.235 . 0 0 "[ . 1]" 1
311 1 17 DC H3' 1 17 DC H6 3.120 2.500 3.740 2.977 2.494 3.497 0.006 6 0 "[ . 1]" 1
312 1 17 DC H3' 1 18 DG H5' 4.950 3.840 6.060 5.287 5.019 5.522 . 0 0 "[ . 1]" 1
313 1 17 DC H4' 1 17 DC H6 3.940 3.150 4.730 4.246 4.210 4.291 . 0 0 "[ . 1]" 1
314 1 17 DC H4' 1 18 DG H3' 5.000 3.990 6.010 3.972 3.845 4.237 0.145 2 0 "[ . 1]" 1
315 1 17 DC H5 1 17 DC H6 2.460 . 2.950 2.450 2.449 2.450 . 0 0 "[ . 1]" 1
316 1 18 DG H1 1 19 DG H1 3.660 2.600 4.720 3.886 3.784 4.023 . 0 0 "[ . 1]" 1
317 1 18 DG H1' 1 18 DG H2' 2.830 2.260 3.400 2.917 2.903 2.945 . 0 0 "[ . 1]" 1
318 1 18 DG H1' 1 18 DG H2'' 2.270 . 2.720 2.252 2.248 2.259 . 0 0 "[ . 1]" 1
319 1 18 DG H1' 1 18 DG H3' 3.990 3.190 4.790 3.996 3.987 4.004 . 0 0 "[ . 1]" 1
320 1 18 DG H1' 1 18 DG H8 3.640 2.910 4.370 3.846 3.840 3.854 . 0 0 "[ . 1]" 1
321 1 18 DG H1' 1 19 DG H8 3.930 3.140 4.720 4.499 4.059 4.801 0.081 10 0 "[ . 1]" 1
322 1 18 DG H2' 1 18 DG H2'' 1.810 . 2.170 1.812 1.811 1.813 . 0 0 "[ . 1]" 1
323 1 18 DG H2' 1 18 DG H3' 2.410 . 2.890 2.240 2.235 2.257 . 0 0 "[ . 1]" 1
324 1 18 DG H2' 1 18 DG H8 2.640 2.170 3.110 3.103 3.071 3.135 0.025 6 0 "[ . 1]" 1
325 1 18 DG H2' 1 19 DG H8 3.080 2.360 3.800 2.507 2.356 2.709 0.004 8 0 "[ . 1]" 1
326 1 18 DG H2'' 1 18 DG H3' 2.730 2.180 3.280 2.869 2.802 2.901 . 0 0 "[ . 1]" 1
327 1 18 DG H2'' 1 18 DG H8 3.950 3.160 4.740 4.451 4.430 4.463 . 0 0 "[ . 1]" 1
328 1 18 DG H2'' 1 19 DG H8 2.660 . 3.370 2.683 2.326 3.071 . 0 0 "[ . 1]" 1
329 1 18 DG H3' 1 18 DG H8 3.910 3.130 4.690 3.728 3.576 4.070 . 0 0 "[ . 1]" 1
330 1 18 DG H3' 1 19 DG H8 4.540 3.630 5.450 4.047 3.875 4.305 . 0 0 "[ . 1]" 1
331 1 18 DG H4' 1 18 DG H8 4.180 3.340 5.020 4.525 4.450 4.564 . 0 0 "[ . 1]" 1
332 1 19 DG H1 1 20 DG H1 3.730 2.650 4.810 4.010 3.951 4.052 . 0 0 "[ . 1]" 1
333 1 19 DG H1' 1 19 DG H2' 2.830 2.260 3.400 2.922 2.914 2.932 . 0 0 "[ . 1]" 1
334 1 19 DG H1' 1 19 DG H3' 3.890 3.110 4.670 3.987 3.971 4.020 . 0 0 "[ . 1]" 1
335 1 19 DG H1' 1 19 DG H8 3.790 3.030 4.550 3.881 3.867 3.892 . 0 0 "[ . 1]" 1
336 1 19 DG H1' 1 20 DG H8 3.720 2.980 4.460 3.897 3.812 3.952 . 0 0 "[ . 1]" 1
337 1 19 DG H2' 1 19 DG H2'' 1.780 . 2.140 1.812 1.812 1.813 . 0 0 "[ . 1]" 1
338 1 19 DG H2' 1 19 DG H3' 2.040 . 2.450 2.237 2.236 2.239 . 0 0 "[ . 1]" 1
339 1 19 DG H2' 1 19 DG H8 2.470 . 2.960 2.824 2.679 2.992 0.032 9 0 "[ . 1]" 1
340 1 19 DG H2' 1 20 DG H8 3.040 2.330 3.750 2.476 2.345 2.626 . 0 0 "[ . 1]" 1
341 1 19 DG H2'' 1 19 DG H3' 2.840 2.270 3.410 2.879 2.848 2.890 . 0 0 "[ . 1]" 1
342 1 19 DG H2'' 1 20 DG H8 2.500 . 3.000 2.335 2.324 2.348 . 0 0 "[ . 1]" 1
343 1 19 DG H3' 1 19 DG H8 3.570 2.860 4.280 3.556 3.491 3.627 . 0 0 "[ . 1]" 1
344 1 19 DG H3' 1 20 DG H8 4.450 3.560 5.340 4.315 4.181 4.454 . 0 0 "[ . 1]" 1
345 1 19 DG H4' 1 19 DG H8 4.600 3.680 5.520 4.667 4.547 4.765 . 0 0 "[ . 1]" 1
346 1 19 DG H8 1 20 DG H8 4.780 3.820 5.740 4.956 4.701 5.073 . 0 0 "[ . 1]" 1
347 1 20 DG H1 1 21 DG H8 5.470 3.870 7.070 6.582 6.531 6.607 . 0 0 "[ . 1]" 1
348 1 20 DG H1' 1 20 DG H2' 2.920 2.340 3.500 2.943 2.939 2.950 . 0 0 "[ . 1]" 1
349 1 20 DG H1' 1 20 DG H2'' 2.360 . 2.830 2.257 2.255 2.261 . 0 0 "[ . 1]" 1
350 1 20 DG H1' 1 20 DG H3' 3.750 3.000 4.500 3.977 3.967 3.984 . 0 0 "[ . 1]" 1
351 1 20 DG H1' 1 20 DG H8 3.750 3.000 4.500 3.878 3.874 3.883 . 0 0 "[ . 1]" 1
352 1 20 DG H1' 1 21 DG H2' 5.090 3.990 6.190 6.189 6.108 6.225 0.035 5 0 "[ . 1]" 1
353 1 20 DG H1' 1 21 DG H8 3.850 2.880 4.820 4.234 3.982 4.683 . 0 0 "[ . 1]" 1
354 1 20 DG H2' 1 20 DG H2'' 1.790 . 2.150 1.812 1.811 1.812 . 0 0 "[ . 1]" 1
355 1 20 DG H2' 1 20 DG H3' 2.290 . 2.750 2.238 2.237 2.239 . 0 0 "[ . 1]" 1
356 1 20 DG H2' 1 20 DG H8 2.430 . 2.920 2.808 2.734 2.869 . 0 0 "[ . 1]" 1
357 1 20 DG H2' 1 21 DG H8 3.050 2.200 3.900 2.591 2.349 3.155 . 0 0 "[ . 1]" 1
358 1 20 DG H2'' 1 20 DG H3' 2.700 2.160 3.240 2.856 2.853 2.861 . 0 0 "[ . 1]" 1
359 1 20 DG H2'' 1 20 DG H8 3.830 3.060 4.600 4.278 4.230 4.318 . 0 0 "[ . 1]" 1
360 1 20 DG H2'' 1 21 DG H8 2.550 . 3.260 2.528 2.346 2.996 . 0 0 "[ . 1]" 1
361 1 20 DG H3' 1 20 DG H8 3.830 3.060 4.600 3.731 3.678 3.772 . 0 0 "[ . 1]" 1
362 1 20 DG H3' 1 21 DG H8 4.950 3.960 5.940 4.322 4.106 4.854 . 0 0 "[ . 1]" 1
363 1 20 DG H8 1 21 DG H8 5.390 4.430 6.350 5.011 4.677 5.535 . 0 0 "[ . 1]" 1
364 1 21 DG H1' 1 21 DG H2' 2.850 2.280 3.420 2.952 2.935 2.971 . 0 0 "[ . 1]" 1
365 1 21 DG H1' 1 21 DG H2'' 2.370 . 2.840 2.262 2.252 2.273 . 0 0 "[ . 1]" 1
366 1 21 DG H1' 1 21 DG H3' 3.860 3.090 4.630 3.966 3.945 3.976 . 0 0 "[ . 1]" 1
367 1 21 DG H1' 1 21 DG H8 3.740 2.990 4.490 3.875 3.862 3.889 . 0 0 "[ . 1]" 1
368 1 21 DG H1' 1 22 DT H6 3.710 2.730 4.690 3.991 3.554 4.520 . 0 0 "[ . 1]" 1
369 1 21 DG H1' 1 22 DT M7 5.110 4.010 6.210 4.442 4.228 4.683 . 0 0 "[ . 1]" 1
370 1 21 DG H2' 1 21 DG H2'' 1.810 . 2.170 1.810 1.808 1.812 . 0 0 "[ . 1]" 1
371 1 21 DG H2' 1 21 DG H3' 2.360 . 2.830 2.236 2.231 2.244 . 0 0 "[ . 1]" 1
372 1 21 DG H2' 1 21 DG H8 2.530 2.100 2.960 2.773 2.491 2.959 . 0 0 "[ . 1]" 1
373 1 21 DG H2' 1 22 DT H6 3.560 2.690 4.430 3.010 2.870 3.453 . 0 0 "[ . 1]" 1
374 1 21 DG H2'' 1 21 DG H3' 2.700 2.160 3.240 2.841 2.820 2.870 . 0 0 "[ . 1]" 1
375 1 21 DG H2'' 1 21 DG H8 3.570 2.700 4.440 4.245 4.044 4.370 . 0 0 "[ . 1]" 1
376 1 21 DG H2'' 1 22 DT H6 2.850 2.060 3.640 2.565 2.347 2.773 . 0 0 "[ . 1]" 1
377 1 21 DG H3' 1 21 DG H8 3.870 3.100 4.640 3.802 3.740 3.855 . 0 0 "[ . 1]" 1
378 1 21 DG H3' 1 22 DT H6 5.650 4.520 6.780 4.772 4.546 5.302 . 0 0 "[ . 1]" 1
379 1 21 DG H3' 1 22 DT M7 5.910 4.810 7.010 3.975 3.731 4.622 1.079 5 9 "[* **+****-]" 1
380 1 21 DG H8 1 22 DT H6 5.500 4.540 6.460 5.215 4.962 5.505 . 0 0 "[ . 1]" 1
381 1 21 DG H8 1 22 DT M7 5.290 4.190 6.390 3.443 3.245 3.660 0.945 3 10 [**+-******] 1
382 1 22 DT H1' 1 22 DT H2' 2.780 2.220 3.340 2.922 2.905 2.937 . 0 0 "[ . 1]" 1
383 1 22 DT H1' 1 22 DT H2'' 2.480 . 2.980 2.252 2.247 2.258 . 0 0 "[ . 1]" 1
384 1 22 DT H1' 1 22 DT H3' 4.010 3.210 4.810 3.981 3.974 3.987 . 0 0 "[ . 1]" 1
385 1 22 DT H1' 1 22 DT H6 3.580 2.860 4.300 3.685 3.652 3.721 . 0 0 "[ . 1]" 1
386 1 22 DT H2' 1 22 DT H2'' 1.830 . 2.200 1.812 1.811 1.812 . 0 0 "[ . 1]" 1
387 1 22 DT H2' 1 22 DT H3' 2.360 . 2.830 2.240 2.237 2.244 . 0 0 "[ . 1]" 1
388 1 22 DT H2' 1 22 DT H6 3.500 2.950 4.050 3.005 2.860 3.174 0.090 5 0 "[ . 1]" 1
389 1 22 DT H2'' 1 22 DT H3' 2.800 2.240 3.360 2.887 2.862 2.916 . 0 0 "[ . 1]" 1
390 1 22 DT H2'' 1 22 DT H6 3.950 3.160 4.740 4.290 4.194 4.389 . 0 0 "[ . 1]" 1
391 1 22 DT H3' 1 22 DT H6 3.580 2.860 4.300 3.458 3.147 3.724 . 0 0 "[ . 1]" 1
392 1 22 DT H4' 1 22 DT H5' 2.380 . 2.860 2.427 2.423 2.448 . 0 0 "[ . 1]" 1
393 1 22 DT H4' 1 22 DT H6 4.240 3.390 5.090 4.274 4.239 4.313 . 0 0 "[ . 1]" 1
394 1 22 DT H5' 1 22 DT H5'' 1.720 . 2.060 1.776 1.775 1.776 . 0 0 "[ . 1]" 1
395 1 22 DT H5' 1 22 DT H6 3.740 2.870 4.610 4.322 4.299 4.343 . 0 0 "[ . 1]" 1
396 1 22 DT H5'' 1 22 DT H6 3.500 2.700 4.300 2.708 2.680 2.740 0.020 2 0 "[ . 1]" 1
397 1 22 DT H6 1 22 DT M7 2.800 2.240 3.360 2.374 2.374 2.375 . 0 0 "[ . 1]" 1
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