NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
372957 |
1dl4   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1dl4
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 429
_Distance_constraint_stats_list.Viol_count 168
_Distance_constraint_stats_list.Viol_total 24.199
_Distance_constraint_stats_list.Viol_max 2.207
_Distance_constraint_stats_list.Viol_rms 0.1696
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0564
_Distance_constraint_stats_list.Viol_average_violations_only 0.1440
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 DC 0.830 0.156 1 0 "[ ]"
1 2 DG 1.142 0.156 1 0 "[ ]"
1 3 DG 0.277 0.077 1 0 "[ ]"
1 4 DA 0.339 0.125 1 0 "[ ]"
1 5 DC 0.418 0.100 1 0 "[ ]"
1 6 DA 0.636 0.181 1 0 "[ ]"
1 7 DA 0.615 0.142 1 0 "[ ]"
1 8 DG 0.183 0.110 1 0 "[ ]"
1 9 DA 0.724 0.149 1 0 "[ ]"
1 10 DA 1.006 0.149 1 0 "[ ]"
1 11 DG 0.410 0.078 1 0 "[ ]"
2 1 DC 2.549 0.622 1 1 [+]
2 2 DT 5.954 0.988 1 1 [+]
2 3 DT 5.140 0.988 1 1 [+]
2 4 DC 2.601 0.658 1 1 [+]
2 5 DT 5.419 2.207 1 1 [+]
2 6 DT 1.688 0.556 1 1 [+]
2 7 DG 2.882 0.983 1 1 [+]
2 8 DT 2.884 0.983 1 1 [+]
2 9 DC 0.195 0.065 1 0 "[ ]"
2 10 DC 0.563 0.134 1 0 "[ ]"
2 11 DG 0.711 0.134 1 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 DC H1' 1 1 DC H2' 2.760 2.460 3.060 2.995 2.995 2.995 . 0 0 "[ ]" 1
2 1 1 DC H1' 1 1 DC H2'' 2.200 . 2.500 2.300 2.300 2.300 . 0 0 "[ ]" 1
3 1 1 DC H1' 1 1 DC H3' 3.380 3.000 3.750 3.881 3.881 3.881 0.131 1 0 "[ ]" 1
4 1 1 DC H1' 1 1 DC H4' 2.660 2.360 3.460 3.329 3.329 3.329 . 0 0 "[ ]" 1
5 1 1 DC H1' 1 1 DC H5' 6.290 4.710 7.870 4.734 4.734 4.734 . 0 0 "[ ]" 1
6 1 1 DC H1' 1 1 DC H6 3.530 3.230 3.830 3.731 3.731 3.731 . 0 0 "[ ]" 1
7 1 1 DC H1' 1 2 DG H1' 4.280 3.980 4.580 4.678 4.678 4.678 0.098 1 0 "[ ]" 1
8 1 1 DC H1' 1 2 DG H4' 3.790 2.810 4.770 4.497 4.497 4.497 . 0 0 "[ ]" 1
9 1 1 DC H1' 1 2 DG H5' 3.530 3.220 3.840 3.607 3.607 3.607 . 0 0 "[ ]" 1
10 1 1 DC H1' 1 2 DG H8 3.690 3.130 4.250 3.668 3.668 3.668 . 0 0 "[ ]" 1
11 1 1 DC H2' 1 1 DC H2'' 2.040 . 2.340 1.779 1.779 1.779 . 0 0 "[ ]" 1
12 1 1 DC H2' 1 1 DC H3' 2.290 . 2.590 2.239 2.239 2.239 . 0 0 "[ ]" 1
13 1 1 DC H2' 1 1 DC H4' 3.060 2.760 3.860 3.891 3.891 3.891 0.031 1 0 "[ ]" 1
14 1 1 DC H2' 1 1 DC H5' 3.590 3.290 4.590 4.298 4.298 4.298 . 0 0 "[ ]" 1
15 1 1 DC H2' 1 1 DC H5'' 3.680 3.380 3.980 3.981 3.981 3.981 0.001 1 0 "[ ]" 1
16 1 1 DC H2' 1 1 DC H6 2.350 2.050 2.650 2.063 2.063 2.063 . 0 0 "[ ]" 1
17 1 1 DC H2' 1 2 DG H5'' 5.620 5.320 5.920 5.987 5.987 5.987 0.067 1 0 "[ ]" 1
18 1 1 DC H2' 1 2 DG H8 3.450 3.150 3.750 3.123 3.123 3.123 0.027 1 0 "[ ]" 1
19 1 1 DC H2'' 1 1 DC H3' 2.250 . 2.550 2.680 2.680 2.680 0.130 1 0 "[ ]" 1
20 1 1 DC H2'' 1 1 DC H4' 3.840 3.540 4.140 3.890 3.890 3.890 . 0 0 "[ ]" 1
21 1 1 DC H2'' 1 1 DC H5'' 5.170 4.170 6.170 4.783 4.783 4.783 . 0 0 "[ ]" 1
22 1 1 DC H2'' 1 2 DG H5'' 4.070 3.770 4.370 4.271 4.271 4.271 . 0 0 "[ ]" 1
23 1 1 DC H2'' 1 2 DG H8 2.700 2.400 3.000 2.244 2.244 2.244 0.156 1 0 "[ ]" 1
24 1 1 DC H3' 1 1 DC H5' 3.500 3.200 3.800 3.558 3.558 3.558 . 0 0 "[ ]" 1
25 1 1 DC H3' 1 1 DC H5'' 2.440 2.140 2.740 2.430 2.430 2.430 . 0 0 "[ ]" 1
26 1 1 DC H3' 1 1 DC H6 3.970 3.660 4.280 3.669 3.669 3.669 . 0 0 "[ ]" 1
27 1 1 DC H3' 1 2 DG H8 3.240 2.940 4.540 4.681 4.681 4.681 0.141 1 0 "[ ]" 1
28 1 1 DC H4' 1 1 DC H5' 2.520 . 3.060 2.465 2.465 2.465 . 0 0 "[ ]" 1
29 1 1 DC H4' 1 1 DC H5'' 2.100 . 2.400 2.449 2.449 2.449 0.049 1 0 "[ ]" 1
30 1 1 DC H4' 1 1 DC H6 4.550 4.250 4.850 4.520 4.520 4.520 . 0 0 "[ ]" 1
31 1 1 DC H5' 1 1 DC H6 3.840 3.320 4.360 3.902 3.902 3.902 . 0 0 "[ ]" 1
32 1 1 DC H5'' 1 1 DC H6 3.980 3.410 4.550 4.304 4.304 4.304 . 0 0 "[ ]" 1
33 1 1 DC H6 1 2 DG H8 4.770 4.470 5.070 4.553 4.553 4.553 . 0 0 "[ ]" 1
34 1 2 DG H1' 1 2 DG H2' 2.370 2.070 2.970 3.007 3.007 3.007 0.037 1 0 "[ ]" 1
35 1 2 DG H1' 1 2 DG H2'' 2.310 2.010 2.610 2.328 2.328 2.328 . 0 0 "[ ]" 1
36 1 2 DG H1' 1 2 DG H4' 3.000 2.700 3.300 3.116 3.116 3.116 . 0 0 "[ ]" 1
37 1 2 DG H1' 1 2 DG H5' 4.890 3.430 6.350 4.752 4.752 4.752 . 0 0 "[ ]" 1
38 1 2 DG H1' 1 2 DG H5'' 4.560 3.630 5.490 4.902 4.902 4.902 . 0 0 "[ ]" 1
39 1 2 DG H1' 1 2 DG H8 3.850 3.550 4.150 3.895 3.895 3.895 . 0 0 "[ ]" 1
40 1 2 DG H1' 1 3 DG H5' 2.800 2.500 3.100 3.110 3.110 3.110 0.010 1 0 "[ ]" 1
41 1 2 DG H1' 1 3 DG H8 3.080 2.780 3.780 3.295 3.295 3.295 . 0 0 "[ ]" 1
42 1 2 DG H2' 1 2 DG H3' 2.060 . 2.360 2.279 2.279 2.279 . 0 0 "[ ]" 1
43 1 2 DG H2' 1 2 DG H4' 3.580 3.120 4.040 3.876 3.876 3.876 . 0 0 "[ ]" 1
44 1 2 DG H2' 1 2 DG H8 2.160 . 2.460 2.418 2.418 2.418 . 0 0 "[ ]" 1
45 1 2 DG H2' 1 3 DG H8 3.400 3.100 3.700 3.632 3.632 3.632 . 0 0 "[ ]" 1
46 1 2 DG H2'' 1 2 DG H3' 2.280 . 2.580 2.713 2.713 2.713 0.133 1 0 "[ ]" 1
47 1 2 DG H2'' 1 2 DG H4' 3.900 3.600 4.200 3.877 3.877 3.877 . 0 0 "[ ]" 1
48 1 2 DG H2'' 1 2 DG H8 3.550 3.250 3.850 3.859 3.859 3.859 0.009 1 0 "[ ]" 1
49 1 2 DG H2'' 1 3 DG H8 2.890 2.290 3.190 2.245 2.245 2.245 0.045 1 0 "[ ]" 1
50 1 2 DG H3' 1 2 DG H4' 2.290 . 2.890 2.843 2.843 2.843 . 0 0 "[ ]" 1
51 1 2 DG H3' 1 2 DG H5' 3.510 3.210 3.810 3.533 3.533 3.533 . 0 0 "[ ]" 1
52 1 2 DG H3' 1 2 DG H5'' 2.090 . 2.390 2.240 2.240 2.240 . 0 0 "[ ]" 1
53 1 2 DG H3' 1 2 DG H8 4.230 3.930 4.530 4.275 4.275 4.275 . 0 0 "[ ]" 1
54 1 2 DG H3' 1 3 DG H8 5.720 2.190 9.250 4.932 4.932 4.932 . 0 0 "[ ]" 1
55 1 2 DG H4' 1 2 DG H5' 1.900 . 2.200 2.335 2.335 2.335 0.135 1 0 "[ ]" 1
56 1 2 DG H4' 1 2 DG H8 6.260 4.820 7.700 4.992 4.992 4.992 . 0 0 "[ ]" 1
57 1 2 DG H4' 1 3 DG H8 6.010 5.710 6.310 5.800 5.800 5.800 . 0 0 "[ ]" 1
58 1 2 DG H5' 1 2 DG H8 6.220 4.950 7.490 4.812 4.812 4.812 0.138 1 0 "[ ]" 1
59 1 2 DG H5'' 1 2 DG H8 4.070 3.770 4.770 4.917 4.917 4.917 0.147 1 0 "[ ]" 1
60 1 3 DG H1' 1 3 DG H2' 2.670 2.370 2.970 3.000 3.000 3.000 0.030 1 0 "[ ]" 1
61 1 3 DG H1' 1 3 DG H2'' 2.570 2.270 2.870 2.316 2.316 2.316 . 0 0 "[ ]" 1
62 1 3 DG H1' 1 3 DG H3' 3.850 3.550 4.150 3.895 3.895 3.895 . 0 0 "[ ]" 1
63 1 3 DG H1' 1 3 DG H4' 3.410 3.110 3.710 3.327 3.327 3.327 . 0 0 "[ ]" 1
64 1 3 DG H1' 1 3 DG H8 3.480 3.180 3.780 3.857 3.857 3.857 0.077 1 0 "[ ]" 1
65 1 3 DG H1' 1 4 DA H8 3.420 3.120 3.720 3.578 3.578 3.578 . 0 0 "[ ]" 1
66 1 3 DG H2' 1 3 DG H8 2.400 2.100 2.700 2.319 2.319 2.319 . 0 0 "[ ]" 1
67 1 3 DG H2' 1 4 DA H8 3.660 3.360 3.960 3.325 3.325 3.325 0.035 1 0 "[ ]" 1
68 1 3 DG H2'' 1 3 DG H8 3.830 3.530 4.130 3.830 3.830 3.830 . 0 0 "[ ]" 1
69 1 3 DG H2'' 1 4 DA H8 2.230 . 2.530 2.048 2.048 2.048 . 0 0 "[ ]" 1
70 1 3 DG H3' 1 3 DG H8 3.810 3.320 4.300 4.089 4.089 4.089 . 0 0 "[ ]" 1
71 1 3 DG H3' 1 4 DA H8 4.910 4.610 5.210 4.606 4.606 4.606 0.004 1 0 "[ ]" 1
72 1 3 DG H4' 1 3 DG H8 4.730 3.450 6.010 4.799 4.799 4.799 . 0 0 "[ ]" 1
73 1 3 DG H5'' 1 3 DG H8 4.280 3.980 4.580 4.634 4.634 4.634 0.054 1 0 "[ ]" 1
74 1 3 DG H8 1 4 DA H8 4.660 4.330 4.990 5.011 5.011 5.011 0.021 1 0 "[ ]" 1
75 1 4 DA H1' 1 4 DA H2' 2.920 2.620 3.220 3.001 3.001 3.001 . 0 0 "[ ]" 1
76 1 4 DA H1' 1 4 DA H2'' 2.490 2.190 2.790 2.310 2.310 2.310 . 0 0 "[ ]" 1
77 1 4 DA H1' 1 4 DA H3' 3.090 2.790 3.890 3.898 3.898 3.898 0.008 1 0 "[ ]" 1
78 1 4 DA H1' 1 4 DA H4' 3.100 2.800 3.400 3.315 3.315 3.315 . 0 0 "[ ]" 1
79 1 4 DA H1' 1 4 DA H8 3.420 3.120 3.720 3.845 3.845 3.845 0.125 1 0 "[ ]" 1
80 1 4 DA H1' 1 5 DC H5 4.750 3.490 6.010 4.262 4.262 4.262 . 0 0 "[ ]" 1
81 1 4 DA H1' 1 5 DC H5'' 4.130 3.830 4.430 4.482 4.482 4.482 0.052 1 0 "[ ]" 1
82 1 4 DA H1' 1 5 DC H6 3.150 2.850 3.450 3.313 3.313 3.313 . 0 0 "[ ]" 1
83 1 4 DA H2' 1 4 DA H3' 2.290 . 2.590 2.286 2.286 2.286 . 0 0 "[ ]" 1
84 1 4 DA H2' 1 4 DA H4' 3.230 2.560 3.900 3.890 3.890 3.890 . 0 0 "[ ]" 1
85 1 4 DA H2' 1 4 DA H8 2.490 . 2.790 2.173 2.173 2.173 . 0 0 "[ ]" 1
86 1 4 DA H2' 1 5 DC H5 3.030 2.730 3.330 2.754 2.754 2.754 . 0 0 "[ ]" 1
87 1 4 DA H2'' 1 4 DA H4' 2.870 2.570 3.870 3.918 3.918 3.918 0.048 1 0 "[ ]" 1
88 1 4 DA H2'' 1 4 DA H8 3.470 3.170 3.770 3.697 3.697 3.697 . 0 0 "[ ]" 1
89 1 4 DA H2'' 1 5 DC H5 3.040 2.740 3.340 2.987 2.987 2.987 . 0 0 "[ ]" 1
90 1 4 DA H3' 1 4 DA H8 3.900 3.600 4.200 4.002 4.002 4.002 . 0 0 "[ ]" 1
91 1 4 DA H3' 1 5 DC H6 4.390 4.090 4.690 4.580 4.580 4.580 . 0 0 "[ ]" 1
92 1 4 DA H4' 1 4 DA H8 4.580 4.140 5.020 4.862 4.862 4.862 . 0 0 "[ ]" 1
93 1 4 DA H5'' 1 4 DA H8 4.330 4.030 4.630 4.675 4.675 4.675 0.045 1 0 "[ ]" 1
94 1 4 DA H8 1 5 DC H5 3.170 2.870 3.470 3.288 3.288 3.288 . 0 0 "[ ]" 1
95 1 4 DA H8 1 5 DC H6 4.330 3.840 4.820 4.687 4.687 4.687 . 0 0 "[ ]" 1
96 1 5 DC H1' 1 5 DC H2' 2.670 2.370 2.970 2.975 2.975 2.975 0.005 1 0 "[ ]" 1
97 1 5 DC H1' 1 5 DC H2'' 3.060 2.360 3.360 2.290 2.290 2.290 0.070 1 0 "[ ]" 1
98 1 5 DC H1' 1 5 DC H6 3.730 3.420 4.040 3.725 3.725 3.725 . 0 0 "[ ]" 1
99 1 5 DC H2' 1 5 DC H5 3.870 3.410 4.330 4.235 4.235 4.235 . 0 0 "[ ]" 1
100 1 5 DC H2' 1 5 DC H5'' 4.110 3.810 4.410 4.317 4.317 4.317 . 0 0 "[ ]" 1
101 1 5 DC H2' 1 5 DC H6 2.340 . 2.640 2.230 2.230 2.230 . 0 0 "[ ]" 1
102 1 5 DC H2'' 1 5 DC H3' 2.580 2.280 2.880 2.803 2.803 2.803 . 0 0 "[ ]" 1
103 1 5 DC H2'' 1 5 DC H5 5.350 5.050 5.650 5.685 5.685 5.685 0.035 1 0 "[ ]" 1
104 1 5 DC H2'' 1 5 DC H5'' 4.690 4.390 4.990 4.928 4.928 4.928 . 0 0 "[ ]" 1
105 1 5 DC H2'' 1 5 DC H6 3.430 3.130 3.730 3.778 3.778 3.778 0.048 1 0 "[ ]" 1
106 1 5 DC H3' 1 5 DC H5'' 2.490 2.190 2.790 2.550 2.550 2.550 . 0 0 "[ ]" 1
107 1 5 DC H3' 1 5 DC H6 3.810 3.510 4.110 3.492 3.492 3.492 0.018 1 0 "[ ]" 1
108 1 5 DC H4' 1 5 DC H5' 2.090 . 2.390 2.482 2.482 2.482 0.092 1 0 "[ ]" 1
109 1 5 DC H4' 1 5 DC H6 4.250 3.850 4.650 4.478 4.478 4.478 . 0 0 "[ ]" 1
110 1 5 DC H5' 1 5 DC H6 3.470 3.170 3.770 3.870 3.870 3.870 0.100 1 0 "[ ]" 1
111 1 5 DC H5'' 1 5 DC H6 4.310 4.010 4.610 4.389 4.389 4.389 . 0 0 "[ ]" 1
112 1 6 DA H1' 1 6 DA H2' 2.670 2.370 2.970 2.824 2.824 2.824 . 0 0 "[ ]" 1
113 1 6 DA H1' 1 6 DA H2'' 2.380 2.080 2.680 2.288 2.288 2.288 . 0 0 "[ ]" 1
114 1 6 DA H1' 1 6 DA H3' 3.860 3.560 4.160 4.082 4.082 4.082 . 0 0 "[ ]" 1
115 1 6 DA H1' 1 6 DA H4' 3.680 3.240 4.120 3.888 3.888 3.888 . 0 0 "[ ]" 1
116 1 6 DA H1' 1 6 DA H8 3.120 2.820 3.420 3.470 3.470 3.470 0.050 1 0 "[ ]" 1
117 1 6 DA H1' 1 7 DA H4' 4.140 3.590 4.690 4.711 4.711 4.711 0.021 1 0 "[ ]" 1
118 1 6 DA H1' 1 7 DA H5' 3.800 3.490 4.120 3.682 3.682 3.682 . 0 0 "[ ]" 1
119 1 6 DA H1' 1 7 DA H5'' 4.830 4.520 5.140 5.029 5.029 5.029 . 0 0 "[ ]" 1
120 1 6 DA H1' 1 7 DA H8 4.240 3.940 4.540 3.837 3.837 3.837 0.103 1 0 "[ ]" 1
121 1 6 DA H2' 1 6 DA H4' 3.990 3.690 4.290 4.052 4.052 4.052 . 0 0 "[ ]" 1
122 1 6 DA H2' 1 6 DA H5' 4.030 3.730 4.330 4.511 4.511 4.511 0.181 1 0 "[ ]" 1
123 1 6 DA H2' 1 6 DA H5'' 3.980 3.680 4.280 4.235 4.235 4.235 . 0 0 "[ ]" 1
124 1 6 DA H2' 1 6 DA H8 2.820 2.020 3.120 1.887 1.887 1.887 0.133 1 0 "[ ]" 1
125 1 6 DA H2' 1 7 DA H8 3.440 3.140 3.740 3.176 3.176 3.176 . 0 0 "[ ]" 1
126 1 6 DA H2'' 1 6 DA H3' 2.800 2.500 3.100 2.871 2.871 2.871 . 0 0 "[ ]" 1
127 1 6 DA H2'' 1 6 DA H8 2.630 2.330 3.330 3.419 3.419 3.419 0.089 1 0 "[ ]" 1
128 1 6 DA H2'' 1 7 DA H8 2.200 . 2.500 2.098 2.098 2.098 . 0 0 "[ ]" 1
129 1 6 DA H3' 1 6 DA H4' 2.610 2.310 2.910 2.808 2.808 2.808 . 0 0 "[ ]" 1
130 1 6 DA H3' 1 6 DA H5' 3.570 3.270 3.870 3.508 3.508 3.508 . 0 0 "[ ]" 1
131 1 6 DA H3' 1 6 DA H8 3.100 2.800 3.700 3.657 3.657 3.657 . 0 0 "[ ]" 1
132 1 6 DA H3' 1 7 DA H8 4.240 3.940 4.540 4.516 4.516 4.516 . 0 0 "[ ]" 1
133 1 6 DA H4' 1 6 DA H5' 2.390 2.090 2.690 2.516 2.516 2.516 . 0 0 "[ ]" 1
134 1 6 DA H4' 1 6 DA H8 5.820 4.730 6.900 5.393 5.393 5.393 . 0 0 "[ ]" 1
135 1 6 DA H8 1 7 DA H8 4.080 3.780 4.380 4.440 4.440 4.440 0.060 1 0 "[ ]" 1
136 1 7 DA H1' 1 7 DA H2' 2.920 2.620 3.220 2.980 2.980 2.980 . 0 0 "[ ]" 1
137 1 7 DA H1' 1 7 DA H2'' 2.480 2.180 2.780 2.285 2.285 2.285 . 0 0 "[ ]" 1
138 1 7 DA H1' 1 7 DA H4' 3.260 2.960 3.560 3.140 3.140 3.140 . 0 0 "[ ]" 1
139 1 7 DA H1' 1 7 DA H8 3.710 3.410 4.010 3.889 3.889 3.889 . 0 0 "[ ]" 1
140 1 7 DA H1' 1 8 DG H1' 5.040 4.740 5.340 4.845 4.845 4.845 . 0 0 "[ ]" 1
141 1 7 DA H1' 1 8 DG H8 3.850 3.550 4.150 3.516 3.516 3.516 0.034 1 0 "[ ]" 1
142 1 7 DA H2' 1 7 DA H8 2.540 2.240 2.840 2.233 2.233 2.233 0.007 1 0 "[ ]" 1
143 1 7 DA H2' 1 8 DG H8 3.680 3.380 3.980 3.345 3.345 3.345 0.035 1 0 "[ ]" 1
144 1 7 DA H2'' 1 7 DA H8 3.960 3.660 4.260 3.787 3.787 3.787 . 0 0 "[ ]" 1
145 1 7 DA H2'' 1 8 DG H8 2.380 2.080 2.680 2.095 2.095 2.095 . 0 0 "[ ]" 1
146 1 7 DA H3' 1 7 DA H8 4.300 3.980 4.620 3.876 3.876 3.876 0.104 1 0 "[ ]" 1
147 1 7 DA H3' 1 8 DG H8 4.050 3.750 4.650 4.760 4.760 4.760 0.110 1 0 "[ ]" 1
148 1 7 DA H4' 1 7 DA H8 4.590 4.290 4.890 5.032 5.032 5.032 0.142 1 0 "[ ]" 1
149 1 7 DA H8 1 8 DG H8 5.050 4.690 5.410 4.961 4.961 4.961 . 0 0 "[ ]" 1
150 1 8 DG H1' 1 8 DG H2' 2.810 2.510 3.110 3.005 3.005 3.005 . 0 0 "[ ]" 1
151 1 8 DG H1' 1 8 DG H2'' 2.540 2.240 2.840 2.314 2.314 2.314 . 0 0 "[ ]" 1
152 1 8 DG H1' 1 8 DG H4' 3.080 2.780 3.380 3.280 3.280 3.280 . 0 0 "[ ]" 1
153 1 8 DG H1' 1 8 DG H5' 4.760 4.430 5.100 4.730 4.730 4.730 . 0 0 "[ ]" 1
154 1 8 DG H1' 1 8 DG H5'' 4.590 3.990 5.190 5.023 5.023 5.023 . 0 0 "[ ]" 1
155 1 8 DG H1' 1 8 DG H8 3.770 3.470 4.070 3.891 3.891 3.891 . 0 0 "[ ]" 1
156 1 8 DG H1' 1 9 DA H8 3.380 3.080 3.680 3.431 3.431 3.431 . 0 0 "[ ]" 1
157 1 8 DG H2' 1 8 DG H8 2.560 2.260 2.860 2.288 2.288 2.288 . 0 0 "[ ]" 1
158 1 8 DG H2' 1 9 DA H8 3.610 3.310 3.910 3.308 3.308 3.308 0.002 1 0 "[ ]" 1
159 1 8 DG H2'' 1 8 DG H8 3.680 3.380 3.980 3.791 3.791 3.791 . 0 0 "[ ]" 1
160 1 8 DG H2'' 1 9 DA H8 2.340 2.040 2.640 2.037 2.037 2.037 0.003 1 0 "[ ]" 1
161 1 8 DG H3' 1 8 DG H8 3.830 3.530 4.130 4.116 4.116 4.116 . 0 0 "[ ]" 1
162 1 8 DG H4' 1 8 DG H8 4.670 4.320 5.020 4.924 4.924 4.924 . 0 0 "[ ]" 1
163 1 8 DG H8 1 9 DA H8 4.640 4.280 5.000 4.830 4.830 4.830 . 0 0 "[ ]" 1
164 1 9 DA H1' 1 9 DA H2' 2.580 2.280 2.880 2.984 2.984 2.984 0.104 1 0 "[ ]" 1
165 1 9 DA H1' 1 9 DA H2'' 2.510 2.210 2.810 2.300 2.300 2.300 . 0 0 "[ ]" 1
166 1 9 DA H1' 1 9 DA H3' 3.700 3.280 4.120 3.859 3.859 3.859 . 0 0 "[ ]" 1
167 1 9 DA H1' 1 9 DA H4' 2.920 2.620 3.220 3.283 3.283 3.283 0.063 1 0 "[ ]" 1
168 1 9 DA H1' 1 9 DA H8 3.160 2.860 3.760 3.848 3.848 3.848 0.088 1 0 "[ ]" 1
169 1 9 DA H1' 1 10 DA H8 3.100 2.800 3.400 3.475 3.475 3.475 0.075 1 0 "[ ]" 1
170 1 9 DA H2' 1 9 DA H8 2.400 2.100 2.700 2.262 2.262 2.262 . 0 0 "[ ]" 1
171 1 9 DA H2' 1 10 DA H8 3.520 3.220 3.820 3.733 3.733 3.733 . 0 0 "[ ]" 1
172 1 9 DA H2'' 1 9 DA H8 3.520 3.220 3.820 3.755 3.755 3.755 . 0 0 "[ ]" 1
173 1 9 DA H2'' 1 10 DA H8 2.790 2.190 3.090 2.048 2.048 2.048 0.142 1 0 "[ ]" 1
174 1 9 DA H3' 1 9 DA H8 3.810 3.510 4.110 4.111 4.111 4.111 0.001 1 0 "[ ]" 1
175 1 9 DA H3' 1 10 DA H8 3.900 3.600 4.200 4.349 4.349 4.349 0.149 1 0 "[ ]" 1
176 1 9 DA H4' 1 9 DA H8 4.440 4.090 4.790 4.856 4.856 4.856 0.066 1 0 "[ ]" 1
177 1 9 DA H5' 1 9 DA H8 5.000 4.030 5.980 4.254 4.254 4.254 . 0 0 "[ ]" 1
178 1 9 DA H5'' 1 9 DA H8 4.380 4.080 4.680 4.710 4.710 4.710 0.030 1 0 "[ ]" 1
179 1 10 DA H1' 1 10 DA H2'' 2.150 . 2.450 2.329 2.329 2.329 . 0 0 "[ ]" 1
180 1 10 DA H1' 1 10 DA H4' 2.690 2.390 3.490 3.424 3.424 3.424 . 0 0 "[ ]" 1
181 1 10 DA H1' 1 10 DA H8 2.970 2.670 3.770 3.837 3.837 3.837 0.067 1 0 "[ ]" 1
182 1 10 DA H1' 1 11 DG H8 2.690 2.390 3.690 3.016 3.016 3.016 . 0 0 "[ ]" 1
183 1 10 DA H2' 1 10 DA H3' 1.980 . 2.280 2.279 2.279 2.279 . 0 0 "[ ]" 1
184 1 10 DA H2' 1 10 DA H4' 3.810 3.460 4.160 3.863 3.863 3.863 . 0 0 "[ ]" 1
185 1 10 DA H2' 1 10 DA H8 2.420 2.120 2.720 2.180 2.180 2.180 . 0 0 "[ ]" 1
186 1 10 DA H2' 1 11 DG H8 3.770 3.470 4.070 3.413 3.413 3.413 0.057 1 0 "[ ]" 1
187 1 10 DA H2'' 1 10 DA H3' 2.240 . 2.540 2.673 2.673 2.673 0.133 1 0 "[ ]" 1
188 1 10 DA H2'' 1 10 DA H4' 3.890 3.590 4.190 3.976 3.976 3.976 . 0 0 "[ ]" 1
189 1 10 DA H2'' 1 10 DA H8 2.830 2.530 3.630 3.716 3.716 3.716 0.086 1 0 "[ ]" 1
190 1 10 DA H2'' 1 11 DG H8 2.930 2.030 3.230 1.952 1.952 1.952 0.078 1 0 "[ ]" 1
191 1 10 DA H3' 1 10 DA H8 3.830 3.520 4.140 3.980 3.980 3.980 . 0 0 "[ ]" 1
192 1 10 DA H3' 1 11 DG H8 4.220 3.920 4.520 4.587 4.587 4.587 0.067 1 0 "[ ]" 1
193 1 10 DA H4' 1 10 DA H8 4.540 2.700 6.380 4.710 4.710 4.710 . 0 0 "[ ]" 1
194 1 10 DA H5' 1 10 DA H8 4.120 3.590 4.650 3.962 3.962 3.962 . 0 0 "[ ]" 1
195 1 10 DA H5'' 1 10 DA H8 3.900 3.600 4.200 4.301 4.301 4.301 0.101 1 0 "[ ]" 1
196 1 10 DA H8 1 11 DG H8 4.280 3.980 4.880 4.930 4.930 4.930 0.050 1 0 "[ ]" 1
197 1 11 DG H1' 1 11 DG H2' 2.660 2.360 2.960 3.002 3.002 3.002 0.042 1 0 "[ ]" 1
198 1 11 DG H1' 1 11 DG H2'' 2.130 . 2.430 2.318 2.318 2.318 . 0 0 "[ ]" 1
199 1 11 DG H1' 1 11 DG H3' 3.930 3.630 4.230 3.899 3.899 3.899 . 0 0 "[ ]" 1
200 1 11 DG H1' 1 11 DG H4' 3.030 2.730 3.330 3.334 3.334 3.334 0.004 1 0 "[ ]" 1
201 1 11 DG H1' 1 11 DG H8 3.740 3.440 4.040 3.860 3.860 3.860 . 0 0 "[ ]" 1
202 1 11 DG H2' 1 11 DG H3' 2.360 2.060 2.660 2.298 2.298 2.298 . 0 0 "[ ]" 1
203 1 11 DG H2' 1 11 DG H8 2.360 2.060 2.660 2.398 2.398 2.398 . 0 0 "[ ]" 1
204 1 11 DG H2'' 1 11 DG H3' 2.520 2.220 2.820 2.723 2.723 2.723 . 0 0 "[ ]" 1
205 1 11 DG H2'' 1 11 DG H8 3.550 3.250 3.850 3.901 3.901 3.901 0.051 1 0 "[ ]" 1
206 1 11 DG H3' 1 11 DG H4' 2.300 . 2.800 2.800 2.800 2.800 0.000 1 0 "[ ]" 1
207 1 11 DG H3' 1 11 DG H8 3.810 3.510 4.110 4.116 4.116 4.116 0.006 1 0 "[ ]" 1
208 1 11 DG H4' 1 11 DG H8 4.380 4.080 4.680 4.734 4.734 4.734 0.054 1 0 "[ ]" 1
209 2 1 DC H1' 2 1 DC H2' 2.950 2.650 3.250 3.006 3.006 3.006 . 0 0 "[ ]" 1
210 2 1 DC H1' 2 1 DC H2'' 2.190 . 2.490 2.321 2.321 2.321 . 0 0 "[ ]" 1
211 2 1 DC H1' 2 1 DC H3' 3.190 2.890 3.890 3.918 3.918 3.918 0.028 1 0 "[ ]" 1
212 2 1 DC H1' 2 1 DC H4' 3.420 3.120 3.720 3.409 3.409 3.409 . 0 0 "[ ]" 1
213 2 1 DC H1' 2 1 DC H5'' 5.190 4.890 5.490 4.993 4.993 4.993 . 0 0 "[ ]" 1
214 2 1 DC H1' 2 1 DC H6 3.680 3.380 3.980 3.704 3.704 3.704 . 0 0 "[ ]" 1
215 2 1 DC H1' 2 2 DT H1' 4.420 4.120 4.720 4.739 4.739 4.739 0.019 1 0 "[ ]" 1
216 2 1 DC H1' 2 2 DT H4' 3.700 3.290 4.110 4.015 4.015 4.015 . 0 0 "[ ]" 1
217 2 1 DC H1' 2 2 DT H6 2.760 2.460 3.660 2.927 2.927 2.927 . 0 0 "[ ]" 1
218 2 1 DC H1' 2 2 DT M7 4.260 3.860 5.060 3.679 3.679 3.679 0.181 1 0 "[ ]" 1
219 2 1 DC H2' 2 1 DC H2'' 1.960 . 2.260 1.786 1.786 1.786 . 0 0 "[ ]" 1
220 2 1 DC H2' 2 1 DC H3' 2.290 . 2.590 2.295 2.295 2.295 . 0 0 "[ ]" 1
221 2 1 DC H2' 2 1 DC H5 3.200 2.760 4.040 4.102 4.102 4.102 0.062 1 0 "[ ]" 1
222 2 1 DC H2' 2 1 DC H6 2.880 . 3.180 1.994 1.994 1.994 . 0 0 "[ ]" 1
223 2 1 DC H2' 2 2 DT H6 3.410 3.110 3.710 3.237 3.237 3.237 . 0 0 "[ ]" 1
224 2 1 DC H2' 2 2 DT M7 3.030 2.430 3.330 2.196 2.196 2.196 0.234 1 0 "[ ]" 1
225 2 1 DC H2'' 2 1 DC H3' 2.810 2.510 3.110 2.718 2.718 2.718 . 0 0 "[ ]" 1
226 2 1 DC H2'' 2 1 DC H6 3.560 3.260 3.860 3.571 3.571 3.571 . 0 0 "[ ]" 1
227 2 1 DC H2'' 2 2 DT H6 2.580 2.080 2.880 2.036 2.036 2.036 0.044 1 0 "[ ]" 1
228 2 1 DC H2'' 2 2 DT M7 3.810 2.090 5.530 2.469 2.469 2.469 . 0 0 "[ ]" 1
229 2 1 DC H3' 2 1 DC H5 4.110 2.080 6.140 6.047 6.047 6.047 . 0 0 "[ ]" 1
230 2 1 DC H3' 2 1 DC H5' 3.460 3.160 3.760 3.531 3.531 3.531 . 0 0 "[ ]" 1
231 2 1 DC H3' 2 1 DC H5'' 2.380 2.080 2.680 2.235 2.235 2.235 . 0 0 "[ ]" 1
232 2 1 DC H3' 2 1 DC H6 3.990 3.690 4.290 3.661 3.661 3.661 0.029 1 0 "[ ]" 1
233 2 1 DC H3' 2 2 DT H6 4.510 4.210 4.810 4.737 4.737 4.737 . 0 0 "[ ]" 1
234 2 1 DC H4' 2 1 DC H5' 2.560 2.260 2.860 2.394 2.394 2.394 . 0 0 "[ ]" 1
235 2 1 DC H4' 2 1 DC H5'' 1.700 . 2.500 2.543 2.543 2.543 0.043 1 0 "[ ]" 1
236 2 1 DC H4' 2 1 DC H6 4.280 3.720 4.840 4.425 4.425 4.425 . 0 0 "[ ]" 1
237 2 1 DC H5 2 2 DT M7 3.970 3.670 4.270 3.048 3.048 3.048 0.622 1 1 [+] 1
238 2 1 DC H5' 2 1 DC H6 3.650 3.350 3.950 3.868 3.868 3.868 . 0 0 "[ ]" 1
239 2 1 DC H5' 2 2 DT M7 7.070 6.120 8.020 5.680 5.680 5.680 0.440 1 0 "[ ]" 1
240 2 1 DC H5'' 2 1 DC H6 3.350 2.970 3.730 3.936 3.936 3.936 0.206 1 0 "[ ]" 1
241 2 1 DC H5'' 2 2 DT M7 5.980 5.310 6.650 5.241 5.241 5.241 0.069 1 0 "[ ]" 1
242 2 1 DC H6 2 2 DT H6 4.150 3.850 4.450 4.547 4.547 4.547 0.097 1 0 "[ ]" 1
243 2 1 DC H6 2 2 DT M7 3.460 3.160 3.760 2.686 2.686 2.686 0.474 1 0 "[ ]" 1
244 2 2 DT H1' 2 2 DT H2' 2.950 2.650 3.250 3.005 3.005 3.005 . 0 0 "[ ]" 1
245 2 2 DT H1' 2 2 DT H2'' 2.260 . 2.560 2.318 2.318 2.318 . 0 0 "[ ]" 1
246 2 2 DT H1' 2 2 DT H3' 3.960 3.660 4.260 3.885 3.885 3.885 . 0 0 "[ ]" 1
247 2 2 DT H1' 2 2 DT H4' 3.160 2.860 3.460 3.251 3.251 3.251 . 0 0 "[ ]" 1
248 2 2 DT H1' 2 2 DT H6 2.940 2.640 3.640 3.718 3.718 3.718 0.078 1 0 "[ ]" 1
249 2 2 DT H1' 2 2 DT M7 5.350 4.370 6.330 5.151 5.151 5.151 . 0 0 "[ ]" 1
250 2 2 DT H1' 2 3 DT H6 3.750 3.450 4.050 3.696 3.696 3.696 . 0 0 "[ ]" 1
251 2 2 DT H1' 2 3 DT M7 4.220 3.850 4.990 3.981 3.981 3.981 . 0 0 "[ ]" 1
252 2 2 DT H2' 2 2 DT H2'' 2.080 . 2.380 1.789 1.789 1.789 . 0 0 "[ ]" 1
253 2 2 DT H2' 2 2 DT H3' 2.460 2.160 2.760 2.294 2.294 2.294 . 0 0 "[ ]" 1
254 2 2 DT H2' 2 2 DT H6 2.270 . 2.570 2.270 2.270 2.270 . 0 0 "[ ]" 1
255 2 2 DT H2' 2 3 DT H6 3.560 3.260 3.860 3.357 3.357 3.357 . 0 0 "[ ]" 1
256 2 2 DT H2' 2 3 DT M7 3.150 2.550 3.450 2.222 2.222 2.222 0.328 1 0 "[ ]" 1
257 2 2 DT H2'' 2 2 DT H3' 2.480 2.180 2.780 2.741 2.741 2.741 . 0 0 "[ ]" 1
258 2 2 DT H2'' 2 2 DT H6 3.580 3.280 3.880 3.774 3.774 3.774 . 0 0 "[ ]" 1
259 2 2 DT H2'' 2 3 DT H6 2.260 . 2.560 2.154 2.154 2.154 . 0 0 "[ ]" 1
260 2 2 DT H2'' 2 3 DT M7 3.330 3.030 3.930 2.667 2.667 2.667 0.363 1 0 "[ ]" 1
261 2 2 DT H3' 2 2 DT H6 3.780 3.480 4.080 3.886 3.886 3.886 . 0 0 "[ ]" 1
262 2 2 DT H3' 2 3 DT M7 5.210 4.910 5.510 3.922 3.922 3.922 0.988 1 1 [+] 1
263 2 2 DT H4' 2 2 DT H6 4.440 4.080 5.100 4.511 4.511 4.511 . 0 0 "[ ]" 1
264 2 2 DT H4' 2 3 DT H6 4.980 4.680 5.980 6.011 6.011 6.011 0.031 1 0 "[ ]" 1
265 2 2 DT H4' 2 3 DT M7 6.710 6.410 7.010 5.502 5.502 5.502 0.908 1 1 [+] 1
266 2 2 DT H5' 2 2 DT H6 3.470 3.170 3.770 3.783 3.783 3.783 0.013 1 0 "[ ]" 1
267 2 2 DT H5'' 2 2 DT H6 4.080 3.780 4.380 4.461 4.461 4.461 0.081 1 0 "[ ]" 1
268 2 2 DT H6 2 2 DT M7 2.930 2.630 3.230 2.287 2.287 2.287 0.343 1 0 "[ ]" 1
269 2 2 DT H6 2 3 DT H6 5.150 4.670 5.630 5.082 5.082 5.082 . 0 0 "[ ]" 1
270 2 2 DT H6 2 3 DT M7 3.960 3.660 4.260 3.020 3.020 3.020 0.640 1 1 [+] 1
271 2 3 DT H1' 2 3 DT H2' 2.680 2.380 2.980 2.996 2.996 2.996 0.016 1 0 "[ ]" 1
272 2 3 DT H1' 2 3 DT H2'' 1.960 . 2.260 2.304 2.304 2.304 0.044 1 0 "[ ]" 1
273 2 3 DT H1' 2 3 DT H3' 3.000 2.510 3.890 3.861 3.861 3.861 . 0 0 "[ ]" 1
274 2 3 DT H1' 2 3 DT H6 2.900 2.600 3.600 3.714 3.714 3.714 0.114 1 0 "[ ]" 1
275 2 3 DT H1' 2 3 DT M7 6.110 5.810 6.410 5.150 5.150 5.150 0.660 1 1 [+] 1
276 2 3 DT H1' 2 4 DC H1' 5.180 4.880 5.480 5.174 5.174 5.174 . 0 0 "[ ]" 1
277 2 3 DT H1' 2 4 DC H5 3.960 3.560 4.350 4.381 4.381 4.381 0.031 1 0 "[ ]" 1
278 2 3 DT H1' 2 4 DC H6 3.750 3.450 4.050 3.587 3.587 3.587 . 0 0 "[ ]" 1
279 2 3 DT H2' 2 3 DT H6 2.670 . 2.970 2.004 2.004 2.004 . 0 0 "[ ]" 1
280 2 3 DT H2' 2 4 DC H5 4.180 3.560 4.800 3.402 3.402 3.402 0.158 1 0 "[ ]" 1
281 2 3 DT H2' 2 4 DC H6 2.920 2.620 3.620 3.651 3.651 3.651 0.031 1 0 "[ ]" 1
282 2 3 DT H2'' 2 3 DT H6 3.590 3.290 3.890 3.537 3.537 3.537 . 0 0 "[ ]" 1
283 2 3 DT H2'' 2 4 DC H5 3.540 3.240 3.840 3.233 3.233 3.233 0.007 1 0 "[ ]" 1
284 2 3 DT H2'' 2 4 DC H6 2.280 . 2.580 2.260 2.260 2.260 . 0 0 "[ ]" 1
285 2 3 DT H3' 2 3 DT H6 3.620 3.320 3.920 3.799 3.799 3.799 . 0 0 "[ ]" 1
286 2 3 DT H3' 2 4 DC H6 3.330 2.800 4.760 4.873 4.873 4.873 0.113 1 0 "[ ]" 1
287 2 3 DT H4' 2 3 DT H6 3.920 . 5.870 4.686 4.686 4.686 . 0 0 "[ ]" 1
288 2 3 DT H6 2 3 DT M7 2.850 2.550 3.150 2.291 2.291 2.291 0.259 1 0 "[ ]" 1
289 2 3 DT M7 2 4 DC H5 5.330 4.510 6.150 4.061 4.061 4.061 0.449 1 0 "[ ]" 1
290 2 4 DC H1' 2 4 DC H2' 2.940 2.640 3.240 3.011 3.011 3.011 . 0 0 "[ ]" 1
291 2 4 DC H1' 2 4 DC H2'' 2.620 2.320 2.920 2.312 2.312 2.312 0.008 1 0 "[ ]" 1
292 2 4 DC H1' 2 4 DC H3' 3.240 2.920 3.860 3.884 3.884 3.884 0.024 1 0 "[ ]" 1
293 2 4 DC H1' 2 4 DC H4' 3.250 2.920 3.580 3.230 3.230 3.230 . 0 0 "[ ]" 1
294 2 4 DC H1' 2 4 DC H5 7.260 5.580 8.940 5.460 5.460 5.460 0.120 1 0 "[ ]" 1
295 2 4 DC H1' 2 4 DC H6 3.260 2.960 3.860 3.762 3.762 3.762 . 0 0 "[ ]" 1
296 2 4 DC H1' 2 5 DT H6 3.220 2.920 3.720 3.769 3.769 3.769 0.049 1 0 "[ ]" 1
297 2 4 DC H1' 2 5 DT M7 4.650 4.350 4.950 3.692 3.692 3.692 0.658 1 1 [+] 1
298 2 4 DC H2' 2 4 DC H2'' 2.580 . 2.880 1.794 1.794 1.794 0.086 1 0 "[ ]" 1
299 2 4 DC H2' 2 4 DC H3' 2.890 2.290 3.190 2.283 2.283 2.283 0.007 1 0 "[ ]" 1
300 2 4 DC H2' 2 4 DC H4' 3.200 2.900 3.900 3.905 3.905 3.905 0.005 1 0 "[ ]" 1
301 2 4 DC H2' 2 4 DC H6 2.350 2.050 2.650 2.035 2.035 2.035 0.015 1 0 "[ ]" 1
302 2 4 DC H2' 2 5 DT H6 3.320 3.020 3.620 3.665 3.665 3.665 0.045 1 0 "[ ]" 1
303 2 4 DC H2'' 2 4 DC H3' 2.940 2.640 3.240 2.743 2.743 2.743 . 0 0 "[ ]" 1
304 2 4 DC H2'' 2 4 DC H6 3.110 2.810 3.810 3.588 3.588 3.588 . 0 0 "[ ]" 1
305 2 4 DC H2'' 2 5 DT H6 2.180 . 2.480 2.211 2.211 2.211 . 0 0 "[ ]" 1
306 2 4 DC H3' 2 4 DC H5' 3.510 3.210 3.810 3.547 3.547 3.547 . 0 0 "[ ]" 1
307 2 4 DC H3' 2 4 DC H6 4.070 3.770 4.370 3.801 3.801 3.801 . 0 0 "[ ]" 1
308 2 4 DC H3' 2 5 DT H6 4.590 4.220 4.960 4.714 4.714 4.714 . 0 0 "[ ]" 1
309 2 4 DC H5 2 5 DT M7 4.060 3.760 4.360 3.523 3.523 3.523 0.237 1 0 "[ ]" 1
310 2 4 DC H6 2 5 DT M7 3.760 3.460 4.060 2.903 2.903 2.903 0.557 1 1 [+] 1
311 2 5 DT H1' 2 5 DT Q2' . 2.210 2.810 2.207 2.207 2.207 0.003 1 0 "[ ]" 1
312 2 5 DT H1' 2 5 DT H3' 3.630 3.330 3.930 3.951 3.951 3.951 0.021 1 0 "[ ]" 1
313 2 5 DT H1' 2 5 DT H6 3.760 3.460 4.060 3.743 3.743 3.743 . 0 0 "[ ]" 1
314 2 5 DT Q2' 2 5 DT H3' 2.610 2.310 2.910 2.203 2.203 2.203 0.107 1 0 "[ ]" 1
315 2 5 DT Q2' 2 5 DT M7 6.150 5.850 6.450 3.643 3.643 3.643 2.207 1 1 [+] 1
316 2 5 DT H3' 2 5 DT H5' 3.510 3.210 3.810 3.541 3.541 3.541 . 0 0 "[ ]" 1
317 2 5 DT H3' 2 5 DT H6 4.090 3.790 4.390 3.543 3.543 3.543 0.247 1 0 "[ ]" 1
318 2 5 DT H3' 2 6 DT H6 5.960 5.660 6.260 5.104 5.104 5.104 0.556 1 1 [+] 1
319 2 5 DT H4' 2 5 DT H6 4.810 4.510 5.110 4.714 4.714 4.714 . 0 0 "[ ]" 1
320 2 5 DT H4' 2 5 DT M7 7.120 6.820 7.420 6.182 6.182 6.182 0.638 1 1 [+] 1
321 2 5 DT H6 2 5 DT M7 2.630 2.330 2.930 2.236 2.236 2.236 0.094 1 0 "[ ]" 1
322 2 6 DT H1' 2 6 DT H2' 2.750 2.450 3.050 2.887 2.887 2.887 . 0 0 "[ ]" 1
323 2 6 DT H1' 2 6 DT H2'' 2.630 2.330 2.930 2.226 2.226 2.226 0.104 1 0 "[ ]" 1
324 2 6 DT H1' 2 6 DT H3' 3.930 3.630 4.230 3.965 3.965 3.965 . 0 0 "[ ]" 1
325 2 6 DT H1' 2 6 DT H4' 2.950 2.640 3.260 3.191 3.191 3.191 . 0 0 "[ ]" 1
326 2 6 DT H1' 2 6 DT H6 3.600 3.300 3.900 3.616 3.616 3.616 . 0 0 "[ ]" 1
327 2 6 DT H1' 2 7 DG H1' 5.020 4.720 5.320 5.333 5.333 5.333 0.013 1 0 "[ ]" 1
328 2 6 DT H1' 2 7 DG H8 4.570 4.270 5.070 5.294 5.294 5.294 0.224 1 0 "[ ]" 1
329 2 6 DT H2' 2 6 DT H4' 3.830 3.480 4.180 3.949 3.949 3.949 . 0 0 "[ ]" 1
330 2 6 DT H2' 2 6 DT H5' 4.730 4.430 5.430 5.088 5.088 5.088 . 0 0 "[ ]" 1
331 2 6 DT H2' 2 6 DT H6 3.120 2.820 3.420 2.822 2.822 2.822 . 0 0 "[ ]" 1
332 2 6 DT H2' 2 7 DG H8 3.040 2.740 3.340 2.785 2.785 2.785 . 0 0 "[ ]" 1
333 2 6 DT H2'' 2 6 DT H5' 4.420 4.120 5.020 5.176 5.176 5.176 0.156 1 0 "[ ]" 1
334 2 6 DT H2'' 2 6 DT H5'' 4.560 4.260 4.860 4.770 4.770 4.770 . 0 0 "[ ]" 1
335 2 6 DT H2'' 2 6 DT H6 3.380 3.080 3.880 4.077 4.077 4.077 0.197 1 0 "[ ]" 1
336 2 6 DT H2'' 2 7 DG H8 4.790 4.490 5.090 4.226 4.226 4.226 0.264 1 0 "[ ]" 1
337 2 6 DT H3' 2 6 DT H6 3.460 3.160 3.760 3.032 3.032 3.032 0.128 1 0 "[ ]" 1
338 2 6 DT H3' 2 7 DG H8 4.140 3.840 4.440 4.366 4.366 4.366 . 0 0 "[ ]" 1
339 2 6 DT H4' 2 6 DT H6 4.130 3.830 4.430 4.227 4.227 4.227 . 0 0 "[ ]" 1
340 2 6 DT H5'' 2 6 DT H6 4.010 3.710 4.310 4.201 4.201 4.201 . 0 0 "[ ]" 1
341 2 6 DT H6 2 7 DG H8 4.650 4.310 4.990 4.265 4.265 4.265 0.045 1 0 "[ ]" 1
342 2 7 DG H1' 2 7 DG Q2' . 2.450 2.690 2.235 2.235 2.235 0.215 1 0 "[ ]" 1
343 2 7 DG H1' 2 7 DG H4' 3.020 2.720 3.320 2.884 2.884 2.884 . 0 0 "[ ]" 1
344 2 7 DG H1' 2 7 DG H5'' 4.420 3.820 5.020 4.568 4.568 4.568 . 0 0 "[ ]" 1
345 2 7 DG H1' 2 7 DG H8 3.780 3.480 4.080 3.905 3.905 3.905 . 0 0 "[ ]" 1
346 2 7 DG H1' 2 8 DT H1' 4.700 4.400 5.000 5.015 5.015 5.015 0.015 1 0 "[ ]" 1
347 2 7 DG H1' 2 8 DT H6 3.330 3.030 3.630 3.468 3.468 3.468 . 0 0 "[ ]" 1
348 2 7 DG H1' 2 8 DT M7 4.560 4.260 4.860 3.937 3.937 3.937 0.323 1 0 "[ ]" 1
349 2 7 DG Q2' 2 7 DG H3' . . 2.280 2.151 2.151 2.151 . 0 0 "[ ]" 1
350 2 7 DG Q2' 2 8 DT M7 3.920 3.550 4.140 2.567 2.567 2.567 0.983 1 1 [+] 1
351 2 7 DG H4' 2 7 DG H8 6.340 4.150 8.530 5.094 5.094 5.094 . 0 0 "[ ]" 1
352 2 7 DG H5'' 2 7 DG H8 4.340 4.040 4.640 3.969 3.969 3.969 0.071 1 0 "[ ]" 1
353 2 7 DG H8 2 8 DT H6 4.250 3.180 5.320 5.339 5.339 5.339 0.019 1 0 "[ ]" 1
354 2 7 DG H8 2 8 DT M7 4.420 4.120 4.720 3.411 3.411 3.411 0.709 1 1 [+] 1
355 2 8 DT H1' 2 8 DT H2' 2.680 2.360 3.000 3.005 3.005 3.005 0.005 1 0 "[ ]" 1
356 2 8 DT H1' 2 8 DT H3' 3.810 3.510 4.110 3.881 3.881 3.881 . 0 0 "[ ]" 1
357 2 8 DT H1' 2 8 DT H4' 2.920 2.620 3.220 3.246 3.246 3.246 0.026 1 0 "[ ]" 1
358 2 8 DT H1' 2 8 DT H6 3.680 3.380 3.980 3.715 3.715 3.715 . 0 0 "[ ]" 1
359 2 8 DT H1' 2 8 DT M7 5.160 4.860 6.060 5.144 5.144 5.144 . 0 0 "[ ]" 1
360 2 8 DT H1' 2 9 DC H1' 4.900 4.420 5.380 4.882 4.882 4.882 . 0 0 "[ ]" 1
361 2 8 DT H1' 2 9 DC H5 3.920 3.180 4.660 4.358 4.358 4.358 . 0 0 "[ ]" 1
362 2 8 DT H1' 2 9 DC H6 3.630 3.330 3.930 3.343 3.343 3.343 . 0 0 "[ ]" 1
363 2 8 DT H2' 2 8 DT H2'' 1.890 . 2.190 1.786 1.786 1.786 . 0 0 "[ ]" 1
364 2 8 DT H2' 2 8 DT H3' 2.290 . 2.590 2.287 2.287 2.287 . 0 0 "[ ]" 1
365 2 8 DT H2' 2 8 DT H6 2.680 . 2.980 2.115 2.115 2.115 . 0 0 "[ ]" 1
366 2 8 DT H2' 2 9 DC H5 3.310 3.010 3.610 3.042 3.042 3.042 . 0 0 "[ ]" 1
367 2 8 DT H2'' 2 8 DT H3' 2.410 2.110 2.710 2.729 2.729 2.729 0.019 1 0 "[ ]" 1
368 2 8 DT H2'' 2 8 DT H6 3.610 3.310 3.910 3.645 3.645 3.645 . 0 0 "[ ]" 1
369 2 8 DT H2'' 2 9 DC H5 2.930 2.630 3.230 3.045 3.045 3.045 . 0 0 "[ ]" 1
370 2 8 DT H2'' 2 9 DC H6 2.410 2.110 2.710 2.068 2.068 2.068 0.042 1 0 "[ ]" 1
371 2 8 DT H3' 2 8 DT H6 3.880 3.580 4.180 3.816 3.816 3.816 . 0 0 "[ ]" 1
372 2 8 DT H4' 2 8 DT H6 3.740 3.440 4.640 4.570 4.570 4.570 . 0 0 "[ ]" 1
373 2 8 DT H5' 2 8 DT H6 3.510 3.160 3.860 3.923 3.923 3.923 0.063 1 0 "[ ]" 1
374 2 8 DT H5'' 2 8 DT H6 4.890 4.550 5.230 4.525 4.525 4.525 0.025 1 0 "[ ]" 1
375 2 8 DT H6 2 8 DT M7 3.230 2.930 3.530 2.276 2.276 2.276 0.654 1 1 [+] 1
376 2 8 DT H6 2 9 DC H5 4.250 3.830 4.670 3.874 3.874 3.874 . 0 0 "[ ]" 1
377 2 8 DT M7 2 9 DC H5 4.660 4.100 5.220 4.113 4.113 4.113 . 0 0 "[ ]" 1
378 2 9 DC H1' 2 9 DC H2' 2.660 2.360 2.960 2.999 2.999 2.999 0.039 1 0 "[ ]" 1
379 2 9 DC H1' 2 9 DC H2'' 2.270 . 2.570 2.311 2.311 2.311 . 0 0 "[ ]" 1
380 2 9 DC H1' 2 9 DC H3' 3.100 2.750 3.850 3.885 3.885 3.885 0.035 1 0 "[ ]" 1
381 2 9 DC H1' 2 9 DC H6 3.590 3.290 3.890 3.723 3.723 3.723 . 0 0 "[ ]" 1
382 2 9 DC H1' 2 10 DC H5 4.470 4.170 4.770 4.157 4.157 4.157 0.013 1 0 "[ ]" 1
383 2 9 DC H1' 2 10 DC H6 3.650 3.350 3.950 3.366 3.366 3.366 . 0 0 "[ ]" 1
384 2 9 DC H2' 2 9 DC H2'' 2.050 . 2.350 1.788 1.788 1.788 . 0 0 "[ ]" 1
385 2 9 DC H2' 2 9 DC H3' 2.270 . 2.570 2.292 2.292 2.292 . 0 0 "[ ]" 1
386 2 9 DC H2' 2 9 DC H4' 3.850 3.550 4.150 3.893 3.893 3.893 . 0 0 "[ ]" 1
387 2 9 DC H2' 2 9 DC H5 3.740 3.350 4.130 4.195 4.195 4.195 0.065 1 0 "[ ]" 1
388 2 9 DC H2' 2 9 DC H5'' 4.290 3.990 4.590 4.013 4.013 4.013 . 0 0 "[ ]" 1
389 2 9 DC H2' 2 10 DC H5 3.170 2.870 3.470 3.069 3.069 3.069 . 0 0 "[ ]" 1
390 2 9 DC H2' 2 10 DC H6 3.460 3.160 3.760 3.502 3.502 3.502 . 0 0 "[ ]" 1
391 2 9 DC H2'' 2 9 DC H3' 2.470 2.170 2.770 2.733 2.733 2.733 . 0 0 "[ ]" 1
392 2 9 DC H2'' 2 9 DC H5 5.000 4.430 5.570 5.521 5.521 5.521 . 0 0 "[ ]" 1
393 2 9 DC H2'' 2 10 DC H5 3.150 2.850 3.450 3.022 3.022 3.022 . 0 0 "[ ]" 1
394 2 9 DC H2'' 2 10 DC H6 2.680 . 2.980 2.108 2.108 2.108 . 0 0 "[ ]" 1
395 2 9 DC H3' 2 9 DC H6 3.910 3.610 4.210 3.780 3.780 3.780 . 0 0 "[ ]" 1
396 2 9 DC H4' 2 9 DC H6 4.390 4.090 4.690 4.570 4.570 4.570 . 0 0 "[ ]" 1
397 2 10 DC H1' 2 10 DC H2' 2.650 2.350 2.950 2.997 2.997 2.997 0.047 1 0 "[ ]" 1
398 2 10 DC H1' 2 10 DC H2'' 2.290 . 2.590 2.310 2.310 2.310 . 0 0 "[ ]" 1
399 2 10 DC H1' 2 10 DC H3' 3.040 2.740 3.740 3.863 3.863 3.863 0.123 1 0 "[ ]" 1
400 2 10 DC H1' 2 10 DC H4' 3.630 3.330 3.930 3.293 3.293 3.293 0.037 1 0 "[ ]" 1
401 2 10 DC H1' 2 10 DC H6 3.670 3.370 3.970 3.716 3.716 3.716 . 0 0 "[ ]" 1
402 2 10 DC H1' 2 11 DG H1' 5.200 3.520 6.880 5.304 5.304 5.304 . 0 0 "[ ]" 1
403 2 10 DC H1' 2 11 DG H8 3.250 2.950 3.550 2.916 2.916 2.916 0.034 1 0 "[ ]" 1
404 2 10 DC H2' 2 10 DC H2'' 2.060 . 2.360 1.782 1.782 1.782 . 0 0 "[ ]" 1
405 2 10 DC H2' 2 10 DC H3' 2.430 2.130 2.730 2.276 2.276 2.276 . 0 0 "[ ]" 1
406 2 10 DC H2' 2 10 DC H4' 3.950 3.650 4.250 3.887 3.887 3.887 . 0 0 "[ ]" 1
407 2 10 DC H2' 2 10 DC H5 3.350 2.320 4.380 4.203 4.203 4.203 . 0 0 "[ ]" 1
408 2 10 DC H2' 2 10 DC H5'' 3.760 3.460 4.060 3.999 3.999 3.999 . 0 0 "[ ]" 1
409 2 10 DC H2' 2 10 DC H6 2.290 . 2.590 2.030 2.030 2.030 . 0 0 "[ ]" 1
410 2 10 DC H2' 2 11 DG H8 3.180 2.880 3.480 3.376 3.376 3.376 . 0 0 "[ ]" 1
411 2 10 DC H2'' 2 10 DC H3' 2.500 2.200 2.800 2.702 2.702 2.702 . 0 0 "[ ]" 1
412 2 10 DC H2'' 2 10 DC H4' 3.830 3.530 4.130 3.927 3.927 3.927 . 0 0 "[ ]" 1
413 2 10 DC H2'' 2 10 DC H6 3.560 3.260 3.860 3.571 3.571 3.571 . 0 0 "[ ]" 1
414 2 10 DC H2'' 2 11 DG H8 2.670 2.070 2.970 1.936 1.936 1.936 0.134 1 0 "[ ]" 1
415 2 10 DC H3' 2 11 DG H8 3.820 3.070 4.560 4.621 4.621 4.621 0.061 1 0 "[ ]" 1
416 2 10 DC H6 2 11 DG H8 4.340 4.040 4.640 4.752 4.752 4.752 0.112 1 0 "[ ]" 1
417 2 11 DG H1' 2 11 DG H2' 2.250 . 2.950 2.998 2.998 2.998 0.048 1 0 "[ ]" 1
418 2 11 DG H1' 2 11 DG H2'' 2.090 . 2.390 2.317 2.317 2.317 . 0 0 "[ ]" 1
419 2 11 DG H1' 2 11 DG H3' 3.050 2.690 3.910 3.899 3.899 3.899 . 0 0 "[ ]" 1
420 2 11 DG H1' 2 11 DG H8 3.030 2.730 3.730 3.844 3.844 3.844 0.114 1 0 "[ ]" 1
421 2 11 DG H2' 2 11 DG H2'' 1.960 . 2.260 1.787 1.787 1.787 . 0 0 "[ ]" 1
422 2 11 DG H2' 2 11 DG H3' 2.360 2.060 2.660 2.299 2.299 2.299 . 0 0 "[ ]" 1
423 2 11 DG H2' 2 11 DG H8 2.210 . 2.510 2.346 2.346 2.346 . 0 0 "[ ]" 1
424 2 11 DG H2'' 2 11 DG H3' 2.370 2.070 2.670 2.715 2.715 2.715 0.045 1 0 "[ ]" 1
425 2 11 DG H2'' 2 11 DG H8 3.540 3.240 3.840 3.861 3.861 3.861 0.021 1 0 "[ ]" 1
426 2 11 DG H3' 2 11 DG H8 3.930 3.630 4.230 4.077 4.077 4.077 . 0 0 "[ ]" 1
427 2 11 DG H4' 2 11 DG H8 4.770 4.470 5.070 4.715 4.715 4.715 . 0 0 "[ ]" 1
428 2 11 DG H5' 2 11 DG H8 3.350 3.050 3.650 3.764 3.764 3.764 0.114 1 0 "[ ]" 1
429 2 11 DG H5'' 2 11 DG H8 4.220 3.920 4.520 4.547 4.547 4.547 0.027 1 0 "[ ]" 1
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