NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
573412 |
2rt8   |
11528 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rt8
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 611
_Distance_constraint_stats_list.Viol_count 1417
_Distance_constraint_stats_list.Viol_total 4619.227
_Distance_constraint_stats_list.Viol_max 1.488
_Distance_constraint_stats_list.Viol_rms 0.1101
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0262
_Distance_constraint_stats_list.Viol_average_violations_only 0.1918
_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 7.770 0.261 16 0 "[ . 1 . ]"
1 2 DG 9.430 0.285 4 0 "[ . 1 . ]"
1 3 DC 11.269 0.285 4 0 "[ . 1 . ]"
1 4 DG 21.932 0.730 14 1 "[ . 1 +. ]"
1 5 DT 48.215 0.863 5 17 [****+*-**********]
1 6 DT 84.364 1.091 10 17 [******-**+*******]
1 7 DG 51.383 1.033 4 17 [-**+*************]
1 8 DT 27.441 0.717 10 6 "[ ** *** + . ]"
1 9 DC 14.100 0.405 17 0 "[ . 1 . ]"
1 10 DC 5.853 0.385 12 0 "[ . 1 . ]"
2 1 DG 1.448 0.222 15 0 "[ . 1 . ]"
2 2 DG 1.363 0.222 15 0 "[ . 1 . ]"
2 3 DA 12.681 0.391 8 0 "[ . 1 . ]"
2 4 DC 54.429 1.488 2 17 [*+****-**********]
2 5 DT 70.783 1.488 2 17 [-+***************]
2 6 DT 21.274 0.870 14 1 "[ . 1 +. ]"
2 7 DC 13.546 0.870 14 1 "[ . 1 +. ]"
2 8 DG 10.622 0.228 13 0 "[ . 1 . ]"
2 9 DC 5.591 0.259 1 0 "[ . 1 . ]"
2 10 DG 0.994 0.344 13 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 2 6 DT H2'' 2 7 DC H2' 3.110 2.610 3.610 3.756 3.647 3.826 0.216 1 0 "[ . 1 . ]" 1
2 1 9 DC H3' 1 9 DC H4' 2.720 2.220 3.220 2.725 2.723 2.729 . 0 0 "[ . 1 . ]" 1
3 1 5 DT H3' 1 5 DT H4' 2.790 2.290 3.290 2.722 2.714 2.727 . 0 0 "[ . 1 . ]" 1
4 1 1 DC H41 1 1 DC H5 3.680 3.180 4.180 3.671 3.667 3.675 . 0 0 "[ . 1 . ]" 1
5 1 8 DT H1' 1 9 DC H5 3.800 3.300 4.300 4.098 3.771 4.361 0.061 17 0 "[ . 1 . ]" 1
6 2 10 DG H3' 2 10 DG H5'' 2.870 2.370 3.370 2.510 2.378 2.799 . 0 0 "[ . 1 . ]" 1
7 2 6 DT H4' 2 6 DT H5'' 2.420 . 2.920 2.576 2.303 3.048 0.128 15 0 "[ . 1 . ]" 1
8 1 4 DG H3' 1 4 DG H4' 2.750 2.250 3.250 2.734 2.732 2.736 . 0 0 "[ . 1 . ]" 1
9 2 2 DG H3' 2 2 DG H4' 2.680 2.180 3.180 2.726 2.723 2.730 . 0 0 "[ . 1 . ]" 1
10 1 8 DT H2' 1 9 DC H6 4.080 3.580 4.580 3.816 3.562 3.983 0.018 1 0 "[ . 1 . ]" 1
11 1 1 DC H41 1 2 DG H1 4.300 3.800 4.800 4.512 4.199 4.730 . 0 0 "[ . 1 . ]" 1
12 2 8 DG H3' 2 8 DG H8 4.140 3.640 4.640 4.206 4.079 4.228 . 0 0 "[ . 1 . ]" 1
13 1 4 DG H3' 1 4 DG H5'' 2.940 2.440 3.440 2.597 2.491 2.766 . 0 0 "[ . 1 . ]" 1
14 2 10 DG H2' 2 10 DG H2'' 2.230 . 2.730 1.812 1.810 1.814 . 0 0 "[ . 1 . ]" 1
15 2 8 DG H1' 2 8 DG H4' 3.560 3.060 4.060 3.573 3.563 3.622 . 0 0 "[ . 1 . ]" 1
16 1 8 DT H1' 1 8 DT H3 4.430 3.930 4.930 4.466 4.456 4.481 . 0 0 "[ . 1 . ]" 1
17 2 3 DA H3' 2 3 DA H4' 2.770 2.270 3.270 2.728 2.725 2.739 . 0 0 "[ . 1 . ]" 1
18 2 1 DG H4' 2 1 DG H5' 2.670 2.170 3.170 2.540 2.453 2.623 . 0 0 "[ . 1 . ]" 1
19 1 6 DT H1' 1 6 DT H3' 3.940 3.440 4.440 3.905 3.893 3.913 . 0 0 "[ . 1 . ]" 1
20 1 6 DT Q2' 1 7 DG H5' . 3.450 3.670 2.570 2.417 2.991 1.033 4 16 [***+*****1-******] 1
21 1 9 DC H2'' 1 9 DC H3' 2.860 2.360 3.360 2.675 2.672 2.679 . 0 0 "[ . 1 . ]" 1
22 1 6 DT H3' 1 6 DT H6 3.410 2.910 3.910 3.915 3.862 3.987 0.077 14 0 "[ . 1 . ]" 1
23 1 5 DT H1' 1 6 DT H6 2.880 2.380 3.380 3.525 3.387 3.675 0.295 17 0 "[ . 1 . ]" 1
24 2 1 DG H1' 2 1 DG H4' 3.700 3.200 4.200 3.593 3.560 3.626 . 0 0 "[ . 1 . ]" 1
25 1 9 DC H1' 1 10 DC H5 3.880 3.380 4.380 3.807 3.621 4.316 . 0 0 "[ . 1 . ]" 1
26 1 7 DG H1' 1 7 DG H4' 3.500 3.000 4.000 3.593 3.577 3.616 . 0 0 "[ . 1 . ]" 1
27 2 8 DG H3' 2 8 DG H5'' 2.770 2.270 3.270 2.958 2.863 3.019 . 0 0 "[ . 1 . ]" 1
28 1 4 DG H4' 1 4 DG H5' 2.470 . 2.970 2.450 2.363 2.621 . 0 0 "[ . 1 . ]" 1
29 2 5 DT H5' 2 5 DT H6 3.420 2.920 3.920 3.623 3.569 3.666 . 0 0 "[ . 1 . ]" 1
30 1 7 DG H3' 1 7 DG H5'' 3.020 2.520 3.520 3.247 3.097 3.432 . 0 0 "[ . 1 . ]" 1
31 2 4 DC H2' 2 4 DC H4' 3.890 3.390 4.390 3.828 3.823 3.834 . 0 0 "[ . 1 . ]" 1
32 2 5 DT H2'' 2 6 DT H6 2.120 . 2.620 2.582 2.421 2.739 0.119 11 0 "[ . 1 . ]" 1
33 2 6 DT H1' 2 6 DT H4' 3.660 3.160 4.160 3.567 3.551 3.573 . 0 0 "[ . 1 . ]" 1
34 1 1 DC H5' 1 1 DC H6 3.140 2.640 3.640 2.814 2.619 3.018 0.021 13 0 "[ . 1 . ]" 1
35 2 3 DA H3' 2 3 DA H5'' 2.710 2.210 3.210 2.623 2.545 2.837 . 0 0 "[ . 1 . ]" 1
36 1 4 DG H1 2 6 DT M7 7.010 6.510 7.510 6.149 5.780 6.255 0.730 14 1 "[ . 1 +. ]" 1
37 2 6 DT H3' 2 6 DT H5'' 2.710 2.210 3.210 2.495 2.395 2.954 . 0 0 "[ . 1 . ]" 1
38 2 1 DG H2' 2 1 DG H5'' 3.590 3.090 4.090 3.720 3.554 3.856 . 0 0 "[ . 1 . ]" 1
39 2 5 DT H5'' 2 5 DT M7 6.510 6.010 7.010 5.656 5.530 5.747 0.480 3 0 "[ . 1 . ]" 1
40 1 7 DG H1 1 8 DT H3 3.740 3.240 4.240 3.940 3.472 4.256 0.016 9 0 "[ . 1 . ]" 1
41 1 3 DC H3' 1 3 DC H5'' 2.680 2.180 3.180 2.668 2.610 2.819 . 0 0 "[ . 1 . ]" 1
42 2 5 DT H3' 2 5 DT H4' 3.140 2.640 3.640 2.941 2.913 2.960 . 0 0 "[ . 1 . ]" 1
43 2 4 DC H4' 2 4 DC H5'' 2.110 . 2.610 2.381 2.297 2.909 0.299 8 0 "[ . 1 . ]" 1
44 2 8 DG H2'' 2 9 DC H2' 3.640 3.140 4.140 4.091 4.006 4.238 0.098 12 0 "[ . 1 . ]" 1
45 1 1 DC H4' 1 1 DC H5'' 2.540 2.040 3.040 2.368 2.344 2.387 . 0 0 "[ . 1 . ]" 1
46 2 8 DG H3' 2 8 DG H5' 3.470 2.970 3.970 3.575 3.560 3.607 . 0 0 "[ . 1 . ]" 1
47 2 3 DA H2' 2 4 DC H5 3.760 3.260 4.260 3.310 3.146 3.679 0.114 6 0 "[ . 1 . ]" 1
48 2 4 DC H2' 2 4 DC H5'' 3.500 3.000 4.000 3.861 2.962 4.100 0.100 12 0 "[ . 1 . ]" 1
49 1 4 DG H1' 1 4 DG H3' 3.680 3.180 4.180 3.844 3.832 3.852 . 0 0 "[ . 1 . ]" 1
50 1 5 DT H2' 1 5 DT H3' 2.500 . 3.000 2.288 2.275 2.303 . 0 0 "[ . 1 . ]" 1
51 2 6 DT H3' 2 6 DT H4' 2.580 2.080 3.080 2.723 2.719 2.727 . 0 0 "[ . 1 . ]" 1
52 1 8 DT H3' 1 8 DT H4' 2.960 2.460 3.460 2.730 2.727 2.734 . 0 0 "[ . 1 . ]" 1
53 2 1 DG H1 2 2 DG H1 3.660 3.160 4.160 3.784 3.488 4.160 . 0 0 "[ . 1 . ]" 1
54 1 7 DG H1 2 4 DC H5 4.760 4.260 5.260 5.006 4.981 5.029 . 0 0 "[ . 1 . ]" 1
55 1 7 DG H3' 1 7 DG H4' 2.980 2.480 3.480 2.724 2.722 2.730 . 0 0 "[ . 1 . ]" 1
56 1 7 DG H1' 1 7 DG H3' 3.650 3.150 4.150 3.903 3.891 3.922 . 0 0 "[ . 1 . ]" 1
57 1 3 DC H4' 1 3 DC H6 4.270 3.770 4.770 4.578 4.489 4.658 . 0 0 "[ . 1 . ]" 1
58 2 4 DC H1' 2 5 DT H5'' 3.780 3.280 4.280 4.036 3.956 4.121 . 0 0 "[ . 1 . ]" 1
59 1 5 DT H4' 1 5 DT H5'' 2.050 . 2.550 2.344 2.299 2.374 . 0 0 "[ . 1 . ]" 1
60 1 4 DG H4' 1 4 DG H5'' 2.630 2.130 3.130 2.858 2.367 3.077 . 0 0 "[ . 1 . ]" 1
61 1 5 DT H1' 1 5 DT H4' 3.260 2.760 3.760 3.610 3.591 3.627 . 0 0 "[ . 1 . ]" 1
62 1 8 DT H6 1 9 DC H41 5.410 4.910 5.910 5.869 5.666 5.941 0.031 9 0 "[ . 1 . ]" 1
63 1 7 DG H4' 1 7 DG H5' 2.880 2.380 3.380 2.853 2.777 2.943 . 0 0 "[ . 1 . ]" 1
64 1 2 DG H21 2 8 DG H22 4.130 3.630 4.630 3.657 3.524 3.959 0.106 14 0 "[ . 1 . ]" 1
65 1 3 DC H2' 1 3 DC H2'' 1.860 . 2.360 1.809 1.807 1.811 . 0 0 "[ . 1 . ]" 1
66 1 4 DG H2'' 1 5 DT H6 2.520 2.020 2.910 2.528 2.336 2.796 . 0 0 "[ . 1 . ]" 1
67 2 6 DT H2'' 2 6 DT H3' 2.500 . 3.000 2.672 2.670 2.683 . 0 0 "[ . 1 . ]" 1
68 2 3 DA H1' 2 3 DA H3' 4.220 3.720 4.720 3.875 3.863 3.888 . 0 0 "[ . 1 . ]" 1
69 1 2 DG H2' 1 2 DG H8 2.320 . 2.820 2.095 1.945 2.186 0.025 9 0 "[ . 1 . ]" 1
70 1 7 DG H5' 1 7 DG H8 3.170 2.670 3.670 3.105 2.856 3.362 . 0 0 "[ . 1 . ]" 1
71 1 1 DC H5'' 1 1 DC H6 4.490 3.990 4.990 3.891 3.833 3.938 0.157 3 0 "[ . 1 . ]" 1
72 1 2 DG H1' 1 2 DG H2' 2.700 2.200 3.200 3.012 3.010 3.017 . 0 0 "[ . 1 . ]" 1
73 1 2 DG H2'' 1 3 DC H6 2.620 2.210 3.120 2.339 2.191 2.653 0.019 6 0 "[ . 1 . ]" 1
74 2 2 DG H1' 2 2 DG H4' 3.260 2.760 3.760 3.570 3.558 3.601 . 0 0 "[ . 1 . ]" 1
75 1 8 DT H3 1 9 DC H42 4.630 4.130 5.130 4.389 4.253 4.512 . 0 0 "[ . 1 . ]" 1
76 1 8 DT H3 1 9 DC H5 4.560 4.060 5.060 5.129 4.977 5.239 0.179 6 0 "[ . 1 . ]" 1
77 2 6 DT H1' 2 7 DC H2' 4.050 3.550 4.550 4.611 4.177 4.695 0.145 5 0 "[ . 1 . ]" 1
78 2 4 DC H2' 2 4 DC H5 4.420 3.920 4.920 4.200 4.164 4.233 . 0 0 "[ . 1 . ]" 1
79 1 2 DG H1' 1 3 DC H2' 3.510 3.010 4.010 4.197 3.917 4.295 0.285 4 0 "[ . 1 . ]" 1
80 1 2 DG H3' 1 2 DG H8 3.790 3.290 4.290 4.178 4.077 4.224 . 0 0 "[ . 1 . ]" 1
81 2 5 DT H1' 2 6 DT M7 5.320 4.320 6.320 4.581 4.524 4.657 . 0 0 "[ . 1 . ]" 1
82 1 3 DC H1' 1 3 DC H4' 3.210 2.710 3.710 3.586 3.547 3.603 . 0 0 "[ . 1 . ]" 1
83 2 5 DT H4' 2 5 DT H5'' 2.780 2.280 3.280 2.360 2.323 2.383 . 0 0 "[ . 1 . ]" 1
84 2 6 DT H6 2 7 DC H5 3.530 3.030 4.030 3.870 3.173 4.054 0.024 5 0 "[ . 1 . ]" 1
85 2 7 DC H2'' 2 8 DG H5' 3.480 2.980 3.980 3.233 3.032 3.369 . 0 0 "[ . 1 . ]" 1
86 1 8 DT H2' 1 9 DC H5 3.100 2.600 3.600 2.961 2.695 3.357 . 0 0 "[ . 1 . ]" 1
87 2 4 DC H3' 2 4 DC H4' 3.160 2.660 3.660 2.725 2.723 2.729 . 0 0 "[ . 1 . ]" 1
88 2 9 DC H2'' 2 9 DC H5 5.150 4.650 5.650 5.544 5.513 5.624 . 0 0 "[ . 1 . ]" 1
89 1 9 DC H42 1 9 DC H5 2.900 2.400 3.400 2.429 2.424 2.432 . 0 0 "[ . 1 . ]" 1
90 1 1 DC H1' 1 1 DC H5' 3.960 3.460 4.460 4.496 4.451 4.522 0.062 12 0 "[ . 1 . ]" 1
91 1 3 DC H2'' 1 4 DG H3' 4.290 3.790 4.790 4.836 4.751 4.940 0.150 17 0 "[ . 1 . ]" 1
92 1 5 DT H6 1 6 DT M7 4.030 3.530 4.530 2.824 2.667 3.000 0.863 5 17 [****+********-***] 1
93 2 3 DA H2'' 2 4 DC H2' 2.950 2.450 3.450 3.684 3.523 3.808 0.358 17 0 "[ . 1 . ]" 1
94 2 6 DT H3' 2 6 DT H6 3.850 3.350 4.350 3.931 3.905 4.023 . 0 0 "[ . 1 . ]" 1
95 2 4 DC H1' 2 4 DC H4' 3.120 2.620 3.620 3.563 3.545 3.582 . 0 0 "[ . 1 . ]" 1
96 1 9 DC H1' 1 9 DC H3' 3.420 2.920 3.920 3.892 3.876 3.912 . 0 0 "[ . 1 . ]" 1
97 1 2 DG H4' 1 3 DC H6 5.450 4.950 5.950 5.653 5.493 6.079 0.129 15 0 "[ . 1 . ]" 1
98 1 6 DT Q2' 1 6 DT M7 5.210 4.710 5.710 3.740 3.619 3.879 1.091 10 17 [*********+******-] 1
99 1 3 DC H41 1 3 DC H6 5.140 4.140 6.140 5.375 5.369 5.378 . 0 0 "[ . 1 . ]" 1
100 1 5 DT H2'' 1 5 DT H3' 2.240 . 3.150 2.669 2.664 2.674 . 0 0 "[ . 1 . ]" 1
101 2 1 DG H22 2 2 DG H22 3.620 2.620 4.620 4.386 4.191 4.822 0.202 11 0 "[ . 1 . ]" 1
102 1 5 DT H3' 1 6 DT H6 4.090 3.090 5.090 4.945 4.719 5.129 0.039 14 0 "[ . 1 . ]" 1
103 2 4 DC H5'' 2 4 DC H6 3.600 2.600 4.600 4.168 2.457 4.409 0.143 8 0 "[ . 1 . ]" 1
104 1 6 DT H1' 1 6 DT Q2' 3.490 2.490 4.490 2.236 2.234 2.239 0.256 2 0 "[ . 1 . ]" 1
105 2 3 DA H2'' 2 4 DC H3' 4.220 3.220 5.220 4.996 4.638 5.223 0.003 17 0 "[ . 1 . ]" 1
106 2 9 DC H2'' 2 10 DG H8 2.800 . 3.800 2.293 2.136 2.394 . 0 0 "[ . 1 . ]" 1
107 1 3 DC H1' 1 3 DC H5 4.860 3.860 5.860 5.448 5.441 5.455 . 0 0 "[ . 1 . ]" 1
108 2 5 DT H1' 2 5 DT H3' 4.560 3.560 5.560 3.989 3.980 3.995 . 0 0 "[ . 1 . ]" 1
109 2 1 DG H2' 2 1 DG H5' 2.910 . 3.910 3.776 3.642 3.906 . 0 0 "[ . 1 . ]" 1
110 1 6 DT H5' 1 6 DT H6 2.690 . 3.690 3.320 2.943 3.572 . 0 0 "[ . 1 . ]" 1
111 2 9 DC H1' 2 10 DG H8 3.520 2.520 4.520 3.219 2.723 3.550 . 0 0 "[ . 1 . ]" 1
112 2 9 DC H3' 2 9 DC H4' 2.140 . 3.140 2.726 2.723 2.732 . 0 0 "[ . 1 . ]" 1
113 1 3 DC H3' 1 3 DC H4' . 2.430 3.140 2.724 2.721 2.729 . 0 0 "[ . 1 . ]" 1
114 2 2 DG H21 2 3 DA H62 5.570 4.570 6.570 6.297 5.972 6.544 . 0 0 "[ . 1 . ]" 1
115 1 5 DT H1' 1 5 DT H2' 2.380 . 3.380 3.013 3.011 3.015 . 0 0 "[ . 1 . ]" 1
116 1 7 DG H3' 1 8 DT H6 5.600 4.600 6.600 5.491 5.067 5.650 . 0 0 "[ . 1 . ]" 1
117 1 7 DG H4' 1 8 DT M7 7.210 6.210 8.210 5.914 5.557 6.211 0.653 10 1 "[ . + . ]" 1
118 1 9 DC H41 2 3 DA H2 4.740 3.740 5.740 5.273 4.968 5.538 . 0 0 "[ . 1 . ]" 1
119 1 4 DG H4' 1 5 DT H6 6.340 5.340 7.340 6.488 6.278 6.628 . 0 0 "[ . 1 . ]" 1
120 2 2 DG H5'' 2 2 DG H8 3.850 2.850 4.850 4.520 2.819 4.946 0.096 11 0 "[ . 1 . ]" 1
121 1 1 DC H2'' 1 2 DG H5' 3.640 2.640 4.640 3.165 2.573 3.919 0.067 13 0 "[ . 1 . ]" 1
122 1 2 DG H21 1 3 DC H42 6.230 5.230 7.230 6.649 6.234 6.915 . 0 0 "[ . 1 . ]" 1
123 2 2 DG H4' 2 2 DG H5' 1.990 . 2.990 2.700 2.607 3.001 0.011 13 0 "[ . 1 . ]" 1
124 1 8 DT H2' 1 8 DT M7 3.890 2.890 4.890 3.913 3.789 3.965 . 0 0 "[ . 1 . ]" 1
125 2 10 DG H5'' 2 10 DG H8 3.840 2.840 4.840 4.008 2.683 4.397 0.157 13 0 "[ . 1 . ]" 1
126 2 4 DC Q4 2 5 DT M7 . 5.590 6.410 4.297 4.102 4.416 1.488 2 17 [*+**-************] 1
127 2 8 DG H1' 2 9 DC H6 2.290 . 3.290 2.937 2.700 3.266 . 0 0 "[ . 1 . ]" 1
128 1 10 DC H2' 1 10 DC H4' 3.150 2.150 4.150 3.843 3.835 3.846 . 0 0 "[ . 1 . ]" 1
129 2 4 DC H2'' 2 5 DT M7 3.390 2.390 4.390 2.319 2.258 2.371 0.132 3 0 "[ . 1 . ]" 1
130 1 1 DC H41 1 1 DC H6 6.000 5.000 7.000 5.377 5.373 5.381 . 0 0 "[ . 1 . ]" 1
131 2 5 DT H2' 2 5 DT H6 2.000 . 3.000 2.662 2.549 2.781 . 0 0 "[ . 1 . ]" 1
132 1 7 DG H3' 1 7 DG H5' 3.040 2.040 4.040 3.409 3.220 3.520 . 0 0 "[ . 1 . ]" 1
133 2 9 DC H5' 2 9 DC H6 2.650 . 3.650 3.398 3.141 3.909 0.259 1 0 "[ . 1 . ]" 1
134 2 10 DG H1' 2 10 DG H5' 3.730 2.730 4.730 4.677 4.449 5.074 0.344 13 0 "[ . 1 . ]" 1
135 1 2 DG H1 2 8 DG H1 4.050 3.050 5.050 3.320 3.178 3.432 . 0 0 "[ . 1 . ]" 1
136 1 1 DC H3' 1 1 DC H5' 3.040 2.040 4.040 3.627 3.613 3.635 . 0 0 "[ . 1 . ]" 1
137 1 5 DT H3' 1 5 DT H5'' 3.390 2.390 4.390 3.506 2.959 3.573 . 0 0 "[ . 1 . ]" 1
138 1 1 DC H2' 1 1 DC H5'' 4.420 3.420 5.420 3.815 3.760 3.877 . 0 0 "[ . 1 . ]" 1
139 1 9 DC H4' 1 9 DC H6 3.850 2.850 4.850 4.646 4.538 4.732 . 0 0 "[ . 1 . ]" 1
140 2 2 DG H2'' 2 3 DA H8 . . 2.870 2.307 2.161 2.435 . 0 0 "[ . 1 . ]" 1
141 1 6 DT H6 1 7 DG H8 5.650 4.650 6.650 5.699 5.451 5.900 . 0 0 "[ . 1 . ]" 1
142 2 5 DT H4' 2 5 DT H6 4.960 3.960 5.960 4.328 4.277 4.385 . 0 0 "[ . 1 . ]" 1
143 1 8 DT H1' 1 8 DT H2' 2.350 2.160 3.350 3.014 3.012 3.017 . 0 0 "[ . 1 . ]" 1
144 1 6 DT Q2' 1 6 DT H3' 2.080 . 3.080 2.186 2.183 2.189 . 0 0 "[ . 1 . ]" 1
145 2 7 DC H1' 2 7 DC H4' 2.880 . 3.880 3.557 3.547 3.576 . 0 0 "[ . 1 . ]" 1
146 2 9 DC H41 2 10 DG H1 5.080 4.080 6.080 4.819 4.276 5.036 . 0 0 "[ . 1 . ]" 1
147 2 3 DA H1' 2 3 DA H2 . 4.260 4.570 4.499 4.465 4.666 0.096 7 0 "[ . 1 . ]" 1
148 2 1 DG H2'' 2 2 DG H8 2.990 . 3.990 2.342 2.086 3.139 . 0 0 "[ . 1 . ]" 1
149 1 5 DT H2' 1 5 DT H4' 3.190 2.190 4.190 3.840 3.834 3.846 . 0 0 "[ . 1 . ]" 1
150 1 3 DC H3' 1 3 DC H5' 2.950 . 3.950 3.485 2.307 3.653 . 0 0 "[ . 1 . ]" 1
151 1 7 DG H1 2 5 DT M7 6.730 5.730 7.730 5.138 5.007 5.297 0.723 17 14 "[-***.****1 *****+]" 1
152 2 1 DG H4' 2 1 DG H8 4.090 3.090 5.090 4.528 4.349 4.746 . 0 0 "[ . 1 . ]" 1
153 1 4 DG H3' 1 4 DG H5' 2.890 . 3.890 2.877 2.422 3.621 . 0 0 "[ . 1 . ]" 1
154 2 3 DA H2' 2 3 DA H4' 2.940 . 3.940 3.834 3.829 3.842 . 0 0 "[ . 1 . ]" 1
155 1 2 DG H21 2 8 DG H1 4.810 3.810 5.810 3.938 3.681 4.205 0.129 1 0 "[ . 1 . ]" 1
156 1 5 DT H2'' 1 6 DT M7 3.620 2.620 4.620 2.241 2.164 2.420 0.456 11 0 "[ . 1 . ]" 1
157 1 1 DC H2' 1 1 DC H5 4.890 3.890 5.890 4.369 4.314 4.543 . 0 0 "[ . 1 . ]" 1
158 2 5 DT H3' 2 5 DT H5'' 3.640 2.640 4.640 2.830 2.709 2.977 . 0 0 "[ . 1 . ]" 1
159 2 4 DC H4' 2 5 DT H4' 5.580 4.580 6.580 6.336 6.135 6.650 0.070 8 0 "[ . 1 . ]" 1
160 1 7 DG H1 2 5 DT H6 4.810 3.810 5.810 5.668 5.408 5.920 0.110 11 0 "[ . 1 . ]" 1
161 2 4 DC H1' 2 5 DT H1' 5.460 4.460 6.460 4.582 4.414 4.808 0.046 12 0 "[ . 1 . ]" 1
162 1 3 DC H6 1 4 DG H8 3.940 2.940 4.940 4.352 3.821 4.812 . 0 0 "[ . 1 . ]" 1
163 1 2 DG H1 2 9 DC H5 4.110 3.110 5.110 5.020 4.992 5.075 . 0 0 "[ . 1 . ]" 1
164 2 2 DG H2' 2 2 DG H5' 2.570 . 3.570 3.391 2.524 3.648 0.078 8 0 "[ . 1 . ]" 1
165 1 3 DC H2' 1 3 DC H5'' 2.820 . 3.820 3.607 2.368 3.798 . 0 0 "[ . 1 . ]" 1
166 2 5 DT H2' 2 6 DT M7 3.210 2.210 4.210 2.197 2.142 2.303 0.068 4 0 "[ . 1 . ]" 1
167 1 4 DG H2'' 1 4 DG H4' 5.010 4.010 6.010 4.077 4.070 4.081 . 0 0 "[ . 1 . ]" 1
168 2 4 DC H3' 2 4 DC H5' 2.760 . 3.760 3.380 2.148 3.638 . 0 0 "[ . 1 . ]" 1
169 1 1 DC H41 2 9 DC H5 4.790 3.790 5.790 5.816 5.577 5.869 0.079 12 0 "[ . 1 . ]" 1
170 1 1 DC H42 1 1 DC H6 3.680 2.680 4.680 4.634 4.629 4.637 . 0 0 "[ . 1 . ]" 1
171 1 5 DT H1' 1 5 DT H3' 3.030 2.030 4.030 3.911 3.898 3.923 . 0 0 "[ . 1 . ]" 1
172 2 10 DG H4' 2 10 DG H8 3.890 2.890 4.890 4.733 4.474 4.866 . 0 0 "[ . 1 . ]" 1
173 1 5 DT H2'' 1 5 DT H4' 2.900 . 3.900 4.045 4.039 4.050 0.150 15 0 "[ . 1 . ]" 1
174 1 2 DG H1' 1 3 DC H5' 2.700 . 3.700 2.554 2.317 3.817 0.117 16 0 "[ . 1 . ]" 1
175 1 8 DT H3 1 9 DC H41 4.700 3.700 5.700 3.812 3.668 3.956 0.032 7 0 "[ . 1 . ]" 1
176 2 6 DT H6 2 7 DC H5' 4.150 2.150 6.150 5.953 5.422 6.183 0.033 17 0 "[ . 1 . ]" 1
177 1 8 DT H3 2 4 DC Q4 5.760 3.760 6.110 4.577 4.054 4.959 . 0 0 "[ . 1 . ]" 1
178 1 8 DT H2' 1 8 DT H4' 2.730 . 4.730 3.841 3.835 3.845 . 0 0 "[ . 1 . ]" 1
179 1 3 DC H1' 1 3 DC H5' 3.420 . 5.420 4.602 4.535 4.984 . 0 0 "[ . 1 . ]" 1
180 1 9 DC H5 1 9 DC H5' 3.990 . 5.990 5.322 5.186 5.420 . 0 0 "[ . 1 . ]" 1
181 1 8 DT H3' 1 8 DT H5' 2.650 . 4.650 2.640 2.135 3.639 . 0 0 "[ . 1 . ]" 1
182 2 2 DG H3' 2 2 DG H8 3.130 . 5.130 4.228 4.152 4.256 . 0 0 "[ . 1 . ]" 1
183 1 6 DT H4' 1 7 DG H8 4.760 2.760 6.760 6.328 6.148 6.620 . 0 0 "[ . 1 . ]" 1
184 2 4 DC H1' 2 4 DC H3' 5.000 3.000 7.000 3.881 3.865 3.896 . 0 0 "[ . 1 . ]" 1
185 1 4 DG H3' 1 4 DG H8 3.100 . 5.100 4.376 4.318 4.630 . 0 0 "[ . 1 . ]" 1
186 1 4 DG H1' 1 5 DT H4' 3.200 . 5.200 4.450 4.238 5.091 . 0 0 "[ . 1 . ]" 1
187 1 5 DT H2' 1 6 DT M7 3.430 . 5.430 2.334 2.270 2.484 . 0 0 "[ . 1 . ]" 1
188 2 3 DA H1' 2 3 DA H5'' 4.010 2.010 6.010 5.055 5.031 5.094 . 0 0 "[ . 1 . ]" 1
189 1 7 DG H21 1 8 DT H3 2.940 . 4.940 4.628 3.893 4.936 . 0 0 "[ . 1 . ]" 1
190 1 8 DT H4' 1 8 DT H6 3.430 . 5.430 4.425 4.313 4.653 . 0 0 "[ . 1 . ]" 1
191 1 9 DC H2'' 1 10 DC H1' 4.520 2.520 6.520 5.853 5.722 6.019 . 0 0 "[ . 1 . ]" 1
192 2 1 DG H1 2 2 DG H22 3.470 . 5.470 4.827 4.630 5.267 . 0 0 "[ . 1 . ]" 1
193 2 6 DT H1' 2 6 DT H5'' 4.020 2.020 6.020 4.869 4.174 5.098 . 0 0 "[ . 1 . ]" 1
194 1 9 DC H2' 1 9 DC H5' 2.370 . 4.370 3.708 2.730 3.803 . 0 0 "[ . 1 . ]" 1
195 1 6 DT H3' 1 7 DG H8 3.440 . 5.440 4.862 4.485 5.327 . 0 0 "[ . 1 . ]" 1
196 1 2 DG H8 1 3 DC H41 5.480 3.480 7.480 5.274 4.912 5.673 . 0 0 "[ . 1 . ]" 1
197 1 2 DG H21 2 10 DG H22 3.270 . 5.270 4.661 4.308 5.100 . 0 0 "[ . 1 . ]" 1
198 1 8 DT H1' 1 8 DT M7 4.970 2.970 6.970 5.193 5.185 5.197 . 0 0 "[ . 1 . ]" 1
199 2 8 DG H1' 2 9 DC H5 4.960 2.960 6.960 3.714 3.415 4.225 . 0 0 "[ . 1 . ]" 1
200 1 7 DG H1 2 4 DC H6 6.860 4.860 8.860 5.716 5.686 5.737 . 0 0 "[ . 1 . ]" 1
201 2 3 DA H8 2 4 DC Q4 4.300 2.300 6.300 4.235 3.427 4.632 . 0 0 "[ . 1 . ]" 1
202 2 9 DC H1' 2 9 DC H5' 3.260 . 5.260 4.614 4.516 5.075 . 0 0 "[ . 1 . ]" 1
203 2 4 DC H1' 2 5 DT H2' 5.990 3.990 7.990 4.997 4.843 5.211 . 0 0 "[ . 1 . ]" 1
204 1 1 DC H2'' 1 1 DC H5'' 3.870 . 5.870 4.873 4.823 4.930 . 0 0 "[ . 1 . ]" 1
205 2 6 DT H2' 2 6 DT H5'' 3.030 . 5.030 3.364 2.384 3.969 . 0 0 "[ . 1 . ]" 1
206 1 3 DC H5 2 8 DG H1 3.800 . 5.800 5.054 5.021 5.086 . 0 0 "[ . 1 . ]" 1
207 1 9 DC H5' 1 9 DC H6 2.090 . 4.090 3.470 2.994 3.601 . 0 0 "[ . 1 . ]" 1
208 2 7 DC H3' 2 7 DC H5' 4.930 2.930 6.930 3.602 3.337 3.632 . 0 0 "[ . 1 . ]" 1
209 1 8 DT H2' 1 8 DT H5' 2.260 . 4.260 3.633 2.747 3.836 . 0 0 "[ . 1 . ]" 1
210 2 5 DT H2' 2 5 DT H4' 2.710 . 4.710 3.970 3.957 3.985 . 0 0 "[ . 1 . ]" 1
211 2 3 DA H62 2 4 DC Q4 2.990 . 4.990 3.513 2.899 4.148 . 0 0 "[ . 1 . ]" 1
212 2 1 DG H3' 2 1 DG H5' 2.440 . 4.440 3.622 3.603 3.633 . 0 0 "[ . 1 . ]" 1
213 1 2 DG H1 1 3 DC H5 5.050 3.050 7.050 6.357 6.015 6.561 . 0 0 "[ . 1 . ]" 1
214 1 4 DG H3' 1 5 DT H6 3.700 . 5.700 5.037 4.239 5.385 . 0 0 "[ . 1 . ]" 1
215 2 9 DC H2' 2 9 DC H5' 2.220 . 4.220 3.615 2.760 3.828 . 0 0 "[ . 1 . ]" 1
216 1 8 DT H6 1 9 DC H6 3.760 . 5.760 5.665 5.240 5.799 0.039 14 0 "[ . 1 . ]" 1
217 1 2 DG H21 1 3 DC H41 5.370 3.370 7.370 5.596 5.207 5.892 . 0 0 "[ . 1 . ]" 1
218 1 9 DC H5'' 1 9 DC H6 2.850 . 4.850 4.109 2.510 4.330 . 0 0 "[ . 1 . ]" 1
219 2 8 DG H4' 2 9 DC H6 4.650 2.650 6.650 5.727 5.532 6.112 . 0 0 "[ . 1 . ]" 1
220 2 10 DG H2'' 2 10 DG H4' 2.750 . 4.750 4.060 4.058 4.062 . 0 0 "[ . 1 . ]" 1
221 2 1 DG H5' 2 1 DG H8 2.170 . 4.170 3.055 2.799 3.484 . 0 0 "[ . 1 . ]" 1
222 1 6 DT H4' 1 6 DT H6 3.070 . 5.070 4.416 4.172 4.701 . 0 0 "[ . 1 . ]" 1
223 2 2 DG H5' 2 2 DG H8 2.180 . 4.180 3.616 2.389 3.878 . 0 0 "[ . 1 . ]" 1
224 1 4 DG H1' 1 5 DT H2' 2.890 . 4.890 4.775 4.634 5.035 0.145 3 0 "[ . 1 . ]" 1
225 2 8 DG H1' 2 9 DC H2' 2.570 . 4.570 4.496 4.276 4.798 0.228 13 0 "[ . 1 . ]" 1
226 1 4 DG H2' 1 5 DT H6 2.660 . 4.640 3.845 3.027 4.254 . 0 0 "[ . 1 . ]" 1
227 1 4 DG H8 1 5 DT H6 3.650 . 5.650 5.231 4.788 5.420 . 0 0 "[ . 1 . ]" 1
228 2 6 DT H1' 2 7 DC H5 5.630 3.630 7.630 3.875 3.557 4.258 0.073 14 0 "[ . 1 . ]" 1
229 1 2 DG H2'' 1 3 DC H1' 4.290 2.290 6.290 5.853 5.686 6.103 . 0 0 "[ . 1 . ]" 1
230 2 8 DG H2' 2 8 DG H5' 2.130 . 4.130 3.478 3.415 3.574 . 0 0 "[ . 1 . ]" 1
231 2 1 DG H2'' 2 1 DG H5'' 3.710 . 5.710 4.800 4.655 4.920 . 0 0 "[ . 1 . ]" 1
232 1 10 DC H5'' 1 10 DC H6 2.780 . 4.780 3.617 2.074 4.163 . 0 0 "[ . 1 . ]" 1
233 2 5 DT H3' 2 6 DT H5' 2.960 . 4.960 4.582 4.286 5.108 0.148 11 0 "[ . 1 . ]" 1
234 1 1 DC H6 1 2 DG H8 3.460 . 5.460 5.523 5.036 5.721 0.261 16 0 "[ . 1 . ]" 1
235 2 7 DC H6 2 8 DG H8 3.450 . 5.450 4.680 4.577 4.899 . 0 0 "[ . 1 . ]" 1
236 1 1 DC H41 2 9 DC H42 2.810 . 4.810 4.671 4.077 4.895 0.085 1 0 "[ . 1 . ]" 1
237 1 8 DT H3' 1 8 DT H6 2.420 . 4.420 4.011 3.866 4.064 . 0 0 "[ . 1 . ]" 1
238 2 3 DA H5' 2 3 DA H8 4.940 2.940 6.940 3.800 3.617 4.214 . 0 0 "[ . 1 . ]" 1
239 1 1 DC H5 1 1 DC H5' 6.430 4.430 8.430 4.880 4.766 5.050 . 0 0 "[ . 1 . ]" 1
240 1 9 DC H2' 1 9 DC H5 2.630 . 4.630 4.224 4.181 4.248 . 0 0 "[ . 1 . ]" 1
241 1 8 DT H2'' 1 9 DC H2' 1.990 . 3.990 3.873 3.656 4.015 0.025 10 0 "[ . 1 . ]" 1
242 1 5 DT H5'' 1 5 DT H6 5.580 3.580 7.580 4.142 4.078 4.596 . 0 0 "[ . 1 . ]" 1
243 1 8 DT H3 2 2 DG H22 4.480 2.480 6.480 6.064 5.927 6.259 . 0 0 "[ . 1 . ]" 1
244 1 6 DT H3' 1 6 DT H5' 2.050 . 4.050 2.557 2.153 3.656 . 0 0 "[ . 1 . ]" 1
245 1 6 DT H1' 1 7 DG H2' 5.710 3.710 7.710 4.905 4.619 5.116 . 0 0 "[ . 1 . ]" 1
246 1 2 DG H2' 1 2 DG H4' 2.310 . 4.310 3.829 3.823 3.840 . 0 0 "[ . 1 . ]" 1
247 2 9 DC H2'' 2 9 DC H6 2.090 . 3.870 3.595 3.529 3.730 . 0 0 "[ . 1 . ]" 1
248 1 9 DC H1' 1 10 DC H2' 2.450 . 4.450 4.483 4.397 4.645 0.195 14 0 "[ . 1 . ]" 1
249 2 4 DC H2'' 2 5 DT H2' 3.250 . 5.250 4.806 4.661 4.934 . 0 0 "[ . 1 . ]" 1
250 1 6 DT H5'' 1 6 DT H6 2.540 . 4.540 2.551 1.761 4.293 . 0 0 "[ . 1 . ]" 1
251 1 9 DC H3' 1 9 DC H6 2.330 . 4.330 3.886 3.800 3.936 . 0 0 "[ . 1 . ]" 1
252 1 1 DC H2'' 1 1 DC H5' 3.480 . 5.480 4.907 4.857 4.939 . 0 0 "[ . 1 . ]" 1
253 1 2 DG H1' 1 3 DC H2'' 4.120 2.120 6.120 5.553 5.294 5.666 . 0 0 "[ . 1 . ]" 1
254 1 4 DG H1 2 7 DC H5 3.490 . 5.490 5.004 4.981 5.031 . 0 0 "[ . 1 . ]" 1
255 1 4 DG H1' 1 4 DG H5'' 3.580 . 5.580 4.472 4.180 5.068 . 0 0 "[ . 1 . ]" 1
256 1 4 DG H1' 1 4 DG H5' 2.850 . 4.850 4.833 4.431 5.006 0.156 11 0 "[ . 1 . ]" 1
257 1 9 DC H2' 1 10 DC H6 2.570 . 4.570 3.967 3.762 4.093 . 0 0 "[ . 1 . ]" 1
258 2 5 DT H1' 2 6 DT H6 5.190 3.190 7.190 4.646 4.501 4.791 . 0 0 "[ . 1 . ]" 1
259 2 1 DG H3' 2 2 DG H8 3.450 . 5.450 4.478 4.189 5.453 0.003 7 0 "[ . 1 . ]" 1
260 1 8 DT H4' 1 8 DT M7 5.710 3.710 7.710 5.965 5.884 6.166 . 0 0 "[ . 1 . ]" 1
261 2 6 DT H2' 2 6 DT H4' 2.410 . 4.410 3.841 3.833 3.844 . 0 0 "[ . 1 . ]" 1
262 1 2 DG H8 1 3 DC H6 3.620 . 5.620 5.191 4.858 5.390 . 0 0 "[ . 1 . ]" 1
263 1 4 DG H5' 1 4 DG H8 5.090 3.090 7.090 4.250 3.719 4.466 . 0 0 "[ . 1 . ]" 1
264 1 1 DC H2'' 1 2 DG H3' 3.160 . 5.160 5.009 4.230 5.259 0.099 5 0 "[ . 1 . ]" 1
265 2 9 DC H4' 2 9 DC H6 2.940 . 4.940 4.562 4.393 4.622 . 0 0 "[ . 1 . ]" 1
266 1 2 DG H4' 1 2 DG H5'' 3.960 . 5.960 2.499 2.294 2.990 . 0 0 "[ . 1 . ]" 1
267 1 4 DG H1 2 7 DC H6 4.070 2.070 6.070 5.724 5.703 5.774 . 0 0 "[ . 1 . ]" 1
268 2 7 DC H2'' 2 8 DG H5'' 2.170 . 4.170 4.241 4.186 4.332 0.162 14 0 "[ . 1 . ]" 1
269 2 5 DT M7 2 6 DT M7 3.370 . 5.370 3.276 2.983 3.451 . 0 0 "[ . 1 . ]" 1
270 1 2 DG H8 1 3 DC H42 3.850 . 5.850 4.120 3.702 4.501 . 0 0 "[ . 1 . ]" 1
271 2 3 DA H2'' 2 4 DC H1' 4.000 . 6.000 5.632 5.524 5.835 . 0 0 "[ . 1 . ]" 1
272 2 7 DC H2' 2 7 DC H5'' 2.080 . 4.080 3.903 3.833 4.116 0.036 13 0 "[ . 1 . ]" 1
273 1 2 DG H2' 1 2 DG H5'' 2.090 . 4.090 3.633 2.820 4.027 . 0 0 "[ . 1 . ]" 1
274 2 7 DC H2' 2 8 DG H5' 2.760 . 4.760 4.597 4.532 4.668 . 0 0 "[ . 1 . ]" 1
275 1 6 DT H5' 1 6 DT M7 3.710 . 5.710 4.587 4.319 4.761 . 0 0 "[ . 1 . ]" 1
276 1 7 DG H1' 1 7 DG H5' 2.700 . 4.700 4.179 4.091 4.252 . 0 0 "[ . 1 . ]" 1
277 1 3 DC H4' 1 4 DG H8 4.300 2.300 6.300 6.089 5.916 6.287 . 0 0 "[ . 1 . ]" 1
278 2 5 DT H2' 2 5 DT H3' 3.520 . 5.520 2.241 2.232 2.245 . 0 0 "[ . 1 . ]" 1
279 1 3 DC H5 1 4 DG H8 4.460 2.460 6.460 5.444 4.906 6.092 . 0 0 "[ . 1 . ]" 1
280 2 2 DG H2' 2 3 DA H8 2.210 . 4.210 3.859 3.682 3.996 . 0 0 "[ . 1 . ]" 1
281 2 1 DG H1' 2 1 DG H5' 2.630 . 4.630 4.540 4.439 4.647 0.017 9 0 "[ . 1 . ]" 1
282 1 9 DC H3' 1 10 DC H6 3.250 . 5.250 4.892 4.696 5.403 0.153 11 0 "[ . 1 . ]" 1
283 1 2 DG H1 1 3 DC H41 3.630 . 5.630 4.316 3.937 4.475 . 0 0 "[ . 1 . ]" 1
284 2 1 DG H2' 2 2 DG H5' 2.600 . 4.600 4.370 3.803 4.822 0.222 15 0 "[ . 1 . ]" 1
285 1 2 DG H8 2 8 DG H1 5.180 3.180 7.180 6.883 6.618 7.216 0.036 12 0 "[ . 1 . ]" 1
286 1 10 DC H2'' 1 10 DC H5'' 3.180 . 5.180 4.660 3.906 4.863 . 0 0 "[ . 1 . ]" 1
287 2 4 DC H4' 2 5 DT H6 3.870 . 5.870 5.902 5.809 6.050 0.180 2 0 "[ . 1 . ]" 1
288 2 2 DG H2' 2 2 DG H4' 1.870 . 3.870 3.826 3.822 3.835 . 0 0 "[ . 1 . ]" 1
289 1 5 DT H3' 1 6 DT H5'' 3.040 . 5.040 4.592 4.093 5.103 0.063 7 0 "[ . 1 . ]" 1
290 2 5 DT H5' 2 5 DT M7 3.920 . 5.920 4.890 4.852 4.941 . 0 0 "[ . 1 . ]" 1
291 1 1 DC H5 2 9 DC H41 3.800 . 5.800 5.764 5.486 5.961 0.161 8 0 "[ . 1 . ]" 1
292 1 5 DT H3' 1 5 DT M7 4.220 2.220 6.220 5.333 5.313 5.363 . 0 0 "[ . 1 . ]" 1
293 1 1 DC H2' 1 2 DG H3' 4.930 2.930 6.930 6.758 5.876 7.012 0.082 5 0 "[ . 1 . ]" 1
294 2 4 DC H2'' 2 5 DT H4' 3.380 . 5.380 5.299 5.244 5.363 . 0 0 "[ . 1 . ]" 1
295 2 8 DG H1 2 9 DC H6 4.880 2.880 6.880 6.939 6.621 7.079 0.199 9 0 "[ . 1 . ]" 1
296 2 8 DG H3' 2 9 DC H6 3.030 . 5.030 4.759 4.669 4.967 . 0 0 "[ . 1 . ]" 1
297 2 9 DC H2' 2 10 DG H2' 3.520 . 6.520 6.145 5.774 6.286 . 0 0 "[ . 1 . ]" 1
298 1 10 DC H5' 1 10 DC H6 2.160 . 5.160 3.362 2.824 3.841 . 0 0 "[ . 1 . ]" 1
299 2 9 DC H1' 2 9 DC H5'' 3.090 . 6.090 4.862 4.160 5.109 . 0 0 "[ . 1 . ]" 1
300 1 3 DC H2' 1 4 DG H5' 2.400 . 5.400 5.180 4.697 5.418 0.018 1 0 "[ . 1 . ]" 1
301 2 7 DC H3' 2 8 DG H5'' 2.670 . 5.670 4.955 4.893 5.022 . 0 0 "[ . 1 . ]" 1
302 1 5 DT H1' 1 5 DT H5' 2.510 . 5.510 4.121 4.099 4.360 . 0 0 "[ . 1 . ]" 1
303 2 4 DC H5 2 5 DT H6 4.130 . 7.130 6.046 5.881 6.173 . 0 0 "[ . 1 . ]" 1
304 1 9 DC H1' 1 9 DC H5' 2.260 . 5.260 4.544 4.496 4.644 . 0 0 "[ . 1 . ]" 1
305 2 8 DG H3' 2 9 DC H5'' 2.530 . 5.530 4.976 4.100 5.252 . 0 0 "[ . 1 . ]" 1
306 1 5 DT H3' 1 6 DT M7 6.480 . 9.480 3.863 3.704 4.143 . 0 0 "[ . 1 . ]" 1
307 2 8 DG H8 2 9 DC H41 3.240 . 6.240 5.379 4.949 5.891 . 0 0 "[ . 1 . ]" 1
308 2 2 DG H3' 2 2 DG H5' 5.940 . 8.940 3.400 2.170 3.628 . 0 0 "[ . 1 . ]" 1
309 1 5 DT H5' 1 6 DT M7 4.100 . 7.100 4.607 4.441 5.469 . 0 0 "[ . 1 . ]" 1
310 2 1 DG H2'' 2 1 DG H5' 2.660 . 5.660 4.958 4.858 5.052 . 0 0 "[ . 1 . ]" 1
311 2 5 DT H3' 2 5 DT M7 3.240 . 6.240 4.652 4.495 4.897 . 0 0 "[ . 1 . ]" 1
312 2 2 DG H22 2 3 DA H61 4.190 . 7.190 6.619 6.396 6.803 . 0 0 "[ . 1 . ]" 1
313 1 8 DT H3' 1 9 DC H6 2.720 . 5.720 4.557 4.325 4.932 . 0 0 "[ . 1 . ]" 1
314 2 3 DA H2 2 4 DC Q4 3.610 . 6.610 4.916 4.513 5.167 . 0 0 "[ . 1 . ]" 1
315 1 7 DG H2'' 1 7 DG H5' 2.590 . 5.590 4.475 4.263 4.619 . 0 0 "[ . 1 . ]" 1
316 2 9 DC H3' 2 10 DG H8 2.620 . 5.620 4.658 4.465 5.067 . 0 0 "[ . 1 . ]" 1
317 2 7 DC H2'' 2 8 DG H1' 3.230 . 6.230 5.793 5.526 5.949 . 0 0 "[ . 1 . ]" 1
318 1 2 DG H2'' 1 2 DG H5' 2.460 . 5.460 4.686 4.186 4.926 . 0 0 "[ . 1 . ]" 1
319 2 8 DG H1 2 9 DC H5 3.810 . 6.810 6.344 6.058 6.459 . 0 0 "[ . 1 . ]" 1
320 2 2 DG H2'' 2 2 DG H5' 2.410 . 5.410 4.668 3.931 4.878 . 0 0 "[ . 1 . ]" 1
321 2 6 DT H2'' 2 6 DT H5' 2.600 . 5.600 4.998 4.647 5.113 . 0 0 "[ . 1 . ]" 1
322 2 2 DG H1' 2 3 DA H2'' 3.060 . 6.060 5.491 4.553 5.842 . 0 0 "[ . 1 . ]" 1
323 1 8 DT H6 1 9 DC H5 6.460 . 9.460 4.358 4.073 4.465 . 0 0 "[ . 1 . ]" 1
324 1 8 DT H4' 1 9 DC H6 3.340 . 6.340 5.967 5.804 6.312 . 0 0 "[ . 1 . ]" 1
325 2 2 DG H22 2 3 DA H62 3.830 . 6.830 6.571 6.316 6.844 0.014 10 0 "[ . 1 . ]" 1
326 1 6 DT H6 1 7 DG H5' 2.500 . 5.500 5.683 5.550 5.746 0.246 12 0 "[ . 1 . ]" 1
327 2 8 DG H2' 2 9 DC H2' 2.810 . 5.810 5.858 5.793 5.961 0.151 12 0 "[ . 1 . ]" 1
328 1 7 DG H1 1 8 DT H1' 3.680 . 6.680 6.415 5.739 6.780 0.100 7 0 "[ . 1 . ]" 1
329 2 5 DT H2'' 2 5 DT H5' 2.360 . 5.360 5.208 5.159 5.246 . 0 0 "[ . 1 . ]" 1
330 2 7 DC H41 2 7 DC H6 2.560 . 5.560 5.376 5.370 5.381 . 0 0 "[ . 1 . ]" 1
331 1 1 DC H2'' 1 1 DC H5 2.790 . 5.790 5.714 5.655 5.863 0.073 13 0 "[ . 1 . ]" 1
332 2 7 DC H2' 2 8 DG H5'' 2.580 . 5.580 5.680 5.650 5.726 0.146 17 0 "[ . 1 . ]" 1
333 2 3 DA H2'' 2 3 DA H5' 2.120 . 5.120 4.983 4.854 5.027 . 0 0 "[ . 1 . ]" 1
334 2 7 DC H2' 2 8 DG H2' 2.580 . 5.580 5.391 5.166 5.606 0.026 1 0 "[ . 1 . ]" 1
335 1 3 DC H1' 1 4 DG H2'' 2.660 . 5.660 5.847 5.748 5.943 0.283 3 0 "[ . 1 . ]" 1
336 1 9 DC H6 1 10 DC H5' 2.210 . 6.210 6.054 5.878 6.595 0.385 12 0 "[ . 1 . ]" 1
337 1 8 DT H6 1 9 DC H5' 2.200 . 6.200 6.207 6.120 6.553 0.353 17 0 "[ . 1 . ]" 1
338 1 4 DG H2' 1 5 DT H2' 2.820 . 6.820 5.288 4.311 5.722 . 0 0 "[ . 1 . ]" 1
339 1 1 DC H2'' 1 2 DG H2'' 2.430 . 6.430 5.328 4.806 5.549 . 0 0 "[ . 1 . ]" 1
340 2 6 DT H3' 2 6 DT M7 2.950 . 6.950 5.495 5.445 5.582 . 0 0 "[ . 1 . ]" 1
341 1 8 DT H3 2 2 DG H1 6.840 . 10.840 3.901 3.790 4.060 . 0 0 "[ . 1 . ]" 1
342 1 4 DG H1' 1 5 DT M7 7.230 . 11.230 3.852 3.702 4.201 . 0 0 "[ . 1 . ]" 1
343 1 9 DC H3' 1 9 DC H5'' 2.840 2.340 3.340 2.726 2.633 3.440 0.100 17 0 "[ . 1 . ]" 1
344 1 1 DC H3' 1 1 DC H5'' 2.840 2.340 3.340 2.720 2.648 2.805 . 0 0 "[ . 1 . ]" 1
345 2 7 DC H2' 2 7 DC H5 3.980 3.480 4.480 4.233 4.188 4.260 . 0 0 "[ . 1 . ]" 1
346 1 8 DT M7 1 9 DC H42 4.350 3.850 4.850 3.889 3.445 4.042 0.405 17 0 "[ . 1 . ]" 1
347 1 7 DG H2'' 1 7 DG H3' 2.650 2.150 3.150 2.681 2.675 2.685 . 0 0 "[ . 1 . ]" 1
348 2 5 DT H3' 2 5 DT H6 3.060 2.560 3.560 3.175 2.988 3.379 . 0 0 "[ . 1 . ]" 1
349 2 2 DG H1' 2 3 DA H8 2.800 2.300 3.300 2.765 2.390 3.279 . 0 0 "[ . 1 . ]" 1
350 2 3 DA H2'' 2 3 DA H3' 2.630 2.130 3.130 2.681 2.675 2.690 . 0 0 "[ . 1 . ]" 1
351 2 3 DA H2'' 2 3 DA H4' 3.910 3.410 4.410 4.073 4.068 4.079 . 0 0 "[ . 1 . ]" 1
352 1 6 DT H3' 1 6 DT H4' 2.990 2.490 3.490 2.726 2.722 2.729 . 0 0 "[ . 1 . ]" 1
353 2 7 DC H1' 2 8 DG H8 2.760 2.260 3.260 2.839 2.576 3.324 0.064 3 0 "[ . 1 . ]" 1
354 1 7 DG H3' 1 7 DG H8 3.980 3.480 4.480 4.149 4.085 4.206 . 0 0 "[ . 1 . ]" 1
355 2 8 DG H1 2 9 DC H41 4.560 4.060 5.060 4.288 4.130 4.554 . 0 0 "[ . 1 . ]" 1
356 1 2 DG H2'' 1 3 DC H5 2.720 2.220 3.220 2.585 2.420 3.268 0.048 16 0 "[ . 1 . ]" 1
357 2 5 DT H6 2 6 DT M7 4.090 3.590 4.590 3.374 3.171 3.478 0.419 13 0 "[ . 1 . ]" 1
358 2 1 DG H3' 2 1 DG H5'' 2.640 2.140 3.140 2.620 2.457 2.783 . 0 0 "[ . 1 . ]" 1
359 1 4 DG H1 2 8 DG H1 3.890 3.390 4.390 3.598 3.520 3.712 . 0 0 "[ . 1 . ]" 1
360 2 9 DC H42 2 9 DC H5 2.690 2.190 3.190 2.405 2.399 2.409 . 0 0 "[ . 1 . ]" 1
361 1 1 DC H3' 1 1 DC H4' 2.980 2.480 3.480 2.727 2.723 2.731 . 0 0 "[ . 1 . ]" 1
362 2 10 DG H3' 2 10 DG H8 4.480 3.980 4.980 4.175 4.124 4.395 . 0 0 "[ . 1 . ]" 1
363 1 3 DC H1' 1 3 DC H2' 2.770 2.270 3.270 3.013 3.010 3.015 . 0 0 "[ . 1 . ]" 1
364 1 9 DC H6 1 10 DC H5 3.550 3.050 4.050 4.043 3.607 4.223 0.173 7 0 "[ . 1 . ]" 1
365 1 5 DT H5' 1 5 DT H6 2.990 2.490 3.490 2.434 2.325 3.532 0.165 7 0 "[ . 1 . ]" 1
366 2 6 DT H4' 2 6 DT H5' 2.880 2.380 3.380 2.485 2.456 2.729 . 0 0 "[ . 1 . ]" 1
367 1 10 DC H2' 1 10 DC H6 2.060 . 2.560 2.113 1.990 2.316 . 0 0 "[ . 1 . ]" 1
368 2 3 DA H4' 2 3 DA H5' 2.980 2.480 3.480 2.573 2.533 2.675 . 0 0 "[ . 1 . ]" 1
369 2 1 DG H3' 2 1 DG H8 3.820 3.320 4.320 4.338 4.225 4.382 0.062 4 0 "[ . 1 . ]" 1
370 2 1 DG H4' 2 1 DG H5'' 2.780 2.280 3.280 2.421 2.364 2.492 . 0 0 "[ . 1 . ]" 1
371 2 5 DT H1' 2 5 DT H2' 3.300 2.800 3.800 2.917 2.899 2.945 . 0 0 "[ . 1 . ]" 1
372 1 6 DT H1' 1 6 DT H4' 3.150 2.650 3.650 3.599 3.578 3.611 . 0 0 "[ . 1 . ]" 1
373 1 3 DC H1' 1 4 DG H8 3.380 2.880 3.880 3.171 3.026 3.851 . 0 0 "[ . 1 . ]" 1
374 2 4 DC H3' 2 4 DC H6 3.370 2.870 3.870 3.921 3.890 3.967 0.097 7 0 "[ . 1 . ]" 1
375 1 10 DC H2'' 1 10 DC H3' 2.280 . 2.780 2.677 2.674 2.678 . 0 0 "[ . 1 . ]" 1
376 2 7 DC H41 2 8 DG H1 3.850 3.350 4.350 4.463 4.356 4.573 0.223 1 0 "[ . 1 . ]" 1
377 1 4 DG H2'' 1 4 DG H3' 2.280 . 3.280 2.670 2.668 2.672 . 0 0 "[ . 1 . ]" 1
378 1 3 DC H3' 1 3 DC H6 3.250 2.250 4.250 3.879 3.829 4.022 . 0 0 "[ . 1 . ]" 1
379 1 4 DG H2' 1 5 DT M7 3.470 2.470 4.470 2.359 2.079 2.694 0.391 3 0 "[ . 1 . ]" 1
380 1 2 DG H2'' 1 2 DG H3' 2.120 . 3.120 2.679 2.673 2.684 . 0 0 "[ . 1 . ]" 1
381 2 9 DC H2'' 2 9 DC H3' 2.080 . 3.080 2.676 2.667 2.680 . 0 0 "[ . 1 . ]" 1
382 2 9 DC H41 2 9 DC H5 2.980 . 3.980 3.668 3.665 3.671 . 0 0 "[ . 1 . ]" 1
383 1 9 DC H2'' 1 10 DC H5 3.690 2.690 4.690 2.811 2.472 3.972 0.218 7 0 "[ . 1 . ]" 1
384 1 4 DG H2'' 1 5 DT M7 3.530 2.530 4.530 2.546 2.401 2.932 0.129 17 0 "[ . 1 . ]" 1
385 1 3 DC H5'' 1 3 DC H6 3.320 2.320 4.320 3.879 2.185 4.179 0.135 15 0 "[ . 1 . ]" 1
386 1 8 DT H2'' 1 8 DT M7 5.340 4.340 6.340 5.173 5.013 5.253 . 0 0 "[ . 1 . ]" 1
387 1 2 DG H3' 1 2 DG H5' 2.830 . 3.830 3.267 2.137 3.638 . 0 0 "[ . 1 . ]" 1
388 2 4 DC Q4 2 4 DC H5 2.780 . 3.780 2.375 2.371 2.380 . 0 0 "[ . 1 . ]" 1
389 2 8 DG H2'' 2 8 DG H4' 3.160 2.160 4.160 4.067 4.054 4.071 . 0 0 "[ . 1 . ]" 1
390 2 9 DC H2' 2 9 DC H4' 2.830 . 3.830 3.835 3.824 3.851 0.021 8 0 "[ . 1 . ]" 1
391 1 1 DC H2' 1 1 DC H4' 2.830 . 3.830 3.841 3.836 3.846 0.016 5 0 "[ . 1 . ]" 1
392 1 3 DC H2' 1 3 DC H5 3.120 2.120 4.120 4.211 4.188 4.279 0.159 16 0 "[ . 1 . ]" 1
393 1 7 DG H1' 1 8 DT M7 5.060 4.060 6.060 3.819 3.343 4.262 0.717 10 1 "[ . + . ]" 1
394 2 4 DC H1' 2 5 DT M7 4.800 3.800 5.800 3.522 3.463 3.607 0.337 7 0 "[ . 1 . ]" 1
395 1 5 DT H1' 1 6 DT M7 5.200 4.200 6.200 3.667 3.545 3.824 0.655 5 10 "[ **+ -**1*** * ]" 1
396 2 7 DC H3' 2 7 DC H6 2.810 . 4.810 3.951 3.888 3.982 . 0 0 "[ . 1 . ]" 1
397 2 5 DT H2'' 2 5 DT H6 2.900 . 4.900 4.073 4.008 4.150 . 0 0 "[ . 1 . ]" 1
398 1 10 DC H2'' 1 10 DC H4' 2.850 . 4.850 4.062 4.060 4.066 . 0 0 "[ . 1 . ]" 1
399 1 2 DG H4' 1 2 DG H8 3.660 . 5.660 4.972 4.847 5.204 . 0 0 "[ . 1 . ]" 1
400 2 7 DC H42 2 7 DC H5 3.710 . 5.710 2.415 2.407 2.419 . 0 0 "[ . 1 . ]" 1
401 1 8 DT H3 1 8 DT M7 6.300 4.300 8.300 4.142 4.137 4.144 0.163 7 0 "[ . 1 . ]" 1
402 2 6 DT H1' 2 6 DT H5' 2.910 . 4.910 4.734 4.364 5.024 0.114 5 0 "[ . 1 . ]" 1
403 2 6 DT H2' 2 7 DC H5 4.480 2.480 6.480 3.180 3.039 3.570 . 0 0 "[ . 1 . ]" 1
404 1 5 DT M7 1 6 DT H6 5.320 3.320 7.320 6.054 5.873 6.140 . 0 0 "[ . 1 . ]" 1
405 2 8 DG H1' 2 8 DG H5'' 3.230 . 5.230 5.113 5.104 5.147 . 0 0 "[ . 1 . ]" 1
406 2 3 DA H61 2 4 DC Q4 3.110 . 5.110 3.820 3.318 4.316 . 0 0 "[ . 1 . ]" 1
407 1 5 DT H1' 1 5 DT H5'' 2.970 . 5.970 4.898 4.844 5.117 . 0 0 "[ . 1 . ]" 1
408 1 3 DC H2'' 1 3 DC H5 3.400 . 6.400 5.523 5.492 5.570 . 0 0 "[ . 1 . ]" 1
409 1 7 DG H1' 1 7 DG H5'' 2.580 . 5.580 5.067 4.992 5.103 . 0 0 "[ . 1 . ]" 1
410 2 6 DT H2'' 2 6 DT M7 3.560 . 6.560 5.021 4.740 5.085 . 0 0 "[ . 1 . ]" 1
411 1 7 DG H2'' 1 7 DG H5'' 2.050 . 6.050 5.169 5.108 5.219 . 0 0 "[ . 1 . ]" 1
412 1 4 DG H2'' 1 5 DT H2'' 2.540 . 6.540 5.423 4.847 5.763 . 0 0 "[ . 1 . ]" 1
413 2 3 DA H5'' 2 3 DA H8 5.510 4.510 6.510 4.559 4.429 5.138 0.081 4 0 "[ . 1 . ]" 1
414 1 5 DT H3' 1 5 DT H6 3.720 2.720 4.720 3.769 3.744 3.798 . 0 0 "[ . 1 . ]" 1
415 1 7 DG H3' 1 8 DT M7 5.630 4.630 6.630 4.488 4.241 4.765 0.389 10 0 "[ . 1 . ]" 1
416 1 6 DT Q2' 1 6 DT H6 2.440 . 3.440 2.141 1.876 2.400 . 0 0 "[ . 1 . ]" 1
417 1 2 DG H4' 1 2 DG H5' 3.260 2.260 4.260 2.659 2.571 2.750 . 0 0 "[ . 1 . ]" 1
418 1 6 DT Q2' 1 6 DT H4' 4.830 3.830 5.830 3.513 3.509 3.515 0.321 13 0 "[ . 1 . ]" 1
419 1 2 DG H2'' 1 3 DC H2' 3.920 2.920 4.920 4.058 3.904 4.277 . 0 0 "[ . 1 . ]" 1
420 2 9 DC H3' 2 9 DC H6 3.720 2.720 4.720 3.943 3.822 4.024 . 0 0 "[ . 1 . ]" 1
421 2 9 DC H2' 2 9 DC H5 4.940 3.940 5.940 4.255 4.212 4.299 . 0 0 "[ . 1 . ]" 1
422 2 10 DG H5' 2 10 DG H8 3.760 2.760 4.760 3.711 3.270 4.071 . 0 0 "[ . 1 . ]" 1
423 1 4 DG H4' 1 4 DG H8 5.980 4.980 6.980 4.923 4.646 5.153 0.334 3 0 "[ . 1 . ]" 1
424 1 9 DC H42 1 9 DC H6 5.920 4.920 6.920 4.659 4.654 4.662 0.266 1 0 "[ . 1 . ]" 1
425 2 6 DT H1' 2 6 DT H2' 2.990 . 3.990 3.016 3.013 3.017 . 0 0 "[ . 1 . ]" 1
426 1 9 DC H1' 1 9 DC H4' 3.850 2.850 4.850 3.580 3.559 3.606 . 0 0 "[ . 1 . ]" 1
427 1 5 DT H3' 1 5 DT H5' 3.840 2.840 4.840 3.088 2.995 3.562 . 0 0 "[ . 1 . ]" 1
428 1 10 DC H4' 1 10 DC H6 4.960 3.960 5.960 4.510 4.354 4.623 . 0 0 "[ . 1 . ]" 1
429 1 7 DG H5'' 1 7 DG H8 4.500 3.500 5.500 4.670 4.545 4.849 . 0 0 "[ . 1 . ]" 1
430 2 7 DC H41 2 7 DC H5 3.800 2.800 4.800 3.675 3.668 3.678 . 0 0 "[ . 1 . ]" 1
431 2 4 DC H3' 2 5 DT M7 5.950 4.950 6.950 4.098 3.969 4.195 0.981 3 17 [**+***-**********] 1
432 2 3 DA H1' 2 4 DC H5 4.650 3.650 5.650 4.005 3.506 4.278 0.144 7 0 "[ . 1 . ]" 1
433 1 2 DG H2' 1 3 DC H5 3.860 2.860 4.860 3.253 3.072 3.642 . 0 0 "[ . 1 . ]" 1
434 2 6 DT M7 2 7 DC H42 4.540 3.540 5.540 3.394 2.670 3.651 0.870 14 1 "[ . 1 +. ]" 1
435 1 9 DC H1' 1 10 DC H6 3.840 2.840 4.840 2.882 2.774 3.056 0.066 15 0 "[ . 1 . ]" 1
436 1 1 DC H1' 1 1 DC H2' 3.130 2.130 4.130 3.012 3.007 3.014 . 0 0 "[ . 1 . ]" 1
437 2 8 DG H5' 2 8 DG H8 3.820 2.820 4.820 3.348 3.083 3.526 . 0 0 "[ . 1 . ]" 1
438 1 6 DT Q2' 1 7 DG H8 3.120 2.120 3.880 2.445 2.224 2.742 . 0 0 "[ . 1 . ]" 1
439 1 8 DT H1' 1 9 DC H6 2.910 . 3.910 3.568 3.273 3.905 . 0 0 "[ . 1 . ]" 1
440 2 3 DA H3' 2 3 DA H8 5.690 4.690 6.690 4.337 4.299 4.373 0.391 8 0 "[ . 1 . ]" 1
441 1 2 DG H1' 1 2 DG H4' 4.290 3.290 5.290 3.591 3.574 3.626 . 0 0 "[ . 1 . ]" 1
442 2 1 DG H5'' 2 1 DG H8 4.450 3.450 5.450 4.076 3.933 4.311 . 0 0 "[ . 1 . ]" 1
443 2 6 DT H2'' 2 7 DC H5 3.260 2.260 4.260 2.696 2.494 3.130 . 0 0 "[ . 1 . ]" 1
444 2 8 DG H1 2 9 DC H42 6.400 5.400 7.400 5.438 5.196 5.667 0.204 16 0 "[ . 1 . ]" 1
445 1 3 DC H5 2 7 DC H41 6.880 5.880 7.880 5.819 5.721 5.914 0.159 3 0 "[ . 1 . ]" 1
446 1 1 DC H3' 1 1 DC H6 3.670 2.670 4.670 4.004 3.914 4.237 . 0 0 "[ . 1 . ]" 1
447 2 3 DA H2 2 4 DC H1' 4.680 3.680 5.680 5.250 4.397 5.742 0.062 1 0 "[ . 1 . ]" 1
448 2 3 DA H8 2 4 DC H6 5.080 4.080 6.080 5.198 4.509 5.500 . 0 0 "[ . 1 . ]" 1
449 1 7 DG H1 2 3 DA H2 3.610 2.610 4.610 4.298 3.746 4.640 0.030 12 0 "[ . 1 . ]" 1
450 1 9 DC H41 1 9 DC H5 3.770 2.770 4.770 3.680 3.676 3.682 . 0 0 "[ . 1 . ]" 1
451 1 10 DC H3' 1 10 DC H4' 2.800 . 3.800 2.724 2.722 2.726 . 0 0 "[ . 1 . ]" 1
452 1 8 DT M7 1 9 DC H41 4.680 3.680 5.680 4.596 4.299 4.743 . 0 0 "[ . 1 . ]" 1
453 2 1 DG H3' 2 1 DG H4' 2.990 . 3.990 2.725 2.722 2.732 . 0 0 "[ . 1 . ]" 1
454 2 4 DC H6 2 5 DT M7 3.690 2.690 4.690 2.703 2.539 2.825 0.151 2 0 "[ . 1 . ]" 1
455 2 10 DG H3' 2 10 DG H4' 2.760 . 3.760 2.722 2.720 2.724 . 0 0 "[ . 1 . ]" 1
456 2 9 DC H2'' 2 9 DC H4' 3.800 2.800 4.800 4.066 4.054 4.071 . 0 0 "[ . 1 . ]" 1
457 1 7 DG H2'' 1 7 DG H4' 4.440 3.440 5.440 4.062 4.053 4.069 . 0 0 "[ . 1 . ]" 1
458 1 2 DG H2'' 1 2 DG H4' 3.890 2.890 4.890 4.068 4.058 4.072 . 0 0 "[ . 1 . ]" 1
459 1 5 DT M7 1 6 DT M7 4.710 3.710 5.710 3.220 2.942 3.347 0.768 17 7 "[ * 1****- +]" 1
460 1 3 DC H42 1 3 DC H5 3.300 2.300 4.300 2.413 2.407 2.418 . 0 0 "[ . 1 . ]" 1
461 2 7 DC H3' 2 8 DG H8 5.270 4.270 6.270 4.919 4.809 5.000 . 0 0 "[ . 1 . ]" 1
462 2 2 DG H3' 2 2 DG H5'' 3.010 2.010 4.010 2.970 2.763 3.587 . 0 0 "[ . 1 . ]" 1
463 2 6 DT H2'' 2 6 DT H6 3.760 2.760 4.760 3.506 3.057 3.605 . 0 0 "[ . 1 . ]" 1
464 1 3 DC H41 1 3 DC H5 2.770 . 3.770 3.674 3.670 3.677 . 0 0 "[ . 1 . ]" 1
465 1 10 DC H1' 1 10 DC H2' 2.640 . 3.640 3.014 3.011 3.017 . 0 0 "[ . 1 . ]" 1
466 1 9 DC H3' 1 9 DC H5' 3.300 2.300 4.300 3.567 2.212 3.661 0.088 17 0 "[ . 1 . ]" 1
467 1 7 DG H2' 1 8 DT M7 3.770 2.770 4.770 2.734 2.449 2.891 0.321 6 0 "[ . 1 . ]" 1
468 2 3 DA H4' 2 3 DA H5'' 2.380 . 3.380 2.403 2.331 2.431 . 0 0 "[ . 1 . ]" 1
469 2 8 DG H2' 2 8 DG H4' 3.170 2.170 4.170 3.833 3.825 3.848 . 0 0 "[ . 1 . ]" 1
470 1 4 DG H2' 1 4 DG H4' 3.220 2.220 4.220 3.826 3.819 3.829 . 0 0 "[ . 1 . ]" 1
471 2 8 DG H5'' 2 8 DG H8 4.110 3.110 5.110 4.579 4.297 4.776 . 0 0 "[ . 1 . ]" 1
472 2 4 DC H2'' 2 4 DC H4' 3.680 2.680 4.680 4.066 4.061 4.072 . 0 0 "[ . 1 . ]" 1
473 2 8 DG H4' 2 8 DG H8 4.860 3.860 5.860 4.927 4.727 5.058 . 0 0 "[ . 1 . ]" 1
474 1 3 DC H2'' 1 3 DC H4' 3.510 2.510 4.510 4.059 4.055 4.066 . 0 0 "[ . 1 . ]" 1
475 1 9 DC H2'' 1 9 DC H4' 3.640 2.640 4.640 4.061 4.053 4.066 . 0 0 "[ . 1 . ]" 1
476 2 5 DT H3' 2 6 DT H6 4.290 3.290 5.290 4.131 3.944 4.572 . 0 0 "[ . 1 . ]" 1
477 2 2 DG H4' 2 3 DA H8 6.150 5.150 7.150 5.772 5.580 6.138 . 0 0 "[ . 1 . ]" 1
478 2 5 DT H1' 2 5 DT H4' 3.330 2.330 4.330 3.246 3.213 3.286 . 0 0 "[ . 1 . ]" 1
479 2 3 DA H1' 2 4 DC H6 3.670 . 5.670 3.254 2.547 3.571 . 0 0 "[ . 1 . ]" 1
480 1 8 DT H2'' 1 8 DT H4' 3.490 . 5.490 4.060 4.050 4.067 . 0 0 "[ . 1 . ]" 1
481 2 10 DG H2' 2 10 DG H4' 3.280 . 5.280 3.840 3.838 3.841 . 0 0 "[ . 1 . ]" 1
482 1 2 DG H5'' 1 2 DG H8 4.220 2.220 6.220 4.166 2.556 5.048 . 0 0 "[ . 1 . ]" 1
483 2 1 DG H2' 2 2 DG H8 3.580 . 5.580 3.433 2.643 4.474 . 0 0 "[ . 1 . ]" 1
484 2 4 DC H2'' 2 4 DC H5 4.920 2.920 6.920 5.441 5.391 5.509 . 0 0 "[ . 1 . ]" 1
485 1 2 DG H3' 1 2 DG H4' 2.210 . 4.210 2.723 2.719 2.726 . 0 0 "[ . 1 . ]" 1
486 1 9 DC H1' 2 3 DA H2 4.140 2.140 6.140 5.037 4.696 5.415 . 0 0 "[ . 1 . ]" 1
487 2 9 DC H42 2 9 DC H6 3.840 . 5.840 4.631 4.622 4.637 . 0 0 "[ . 1 . ]" 1
488 2 2 DG H2'' 2 2 DG H4' 3.690 . 5.690 4.072 4.064 4.075 . 0 0 "[ . 1 . ]" 1
489 1 9 DC H2'' 1 10 DC H3' 3.880 . 5.880 5.380 4.872 5.561 . 0 0 "[ . 1 . ]" 1
490 1 8 DT M7 1 9 DC H6 6.700 4.700 8.700 6.400 5.884 6.515 . 0 0 "[ . 1 . ]" 1
491 2 6 DT H2' 2 6 DT M7 3.830 . 5.830 3.799 3.708 3.844 . 0 0 "[ . 1 . ]" 1
492 2 6 DT M7 2 7 DC H6 7.100 5.100 9.100 6.032 5.572 6.194 . 0 0 "[ . 1 . ]" 1
493 2 3 DA H1' 2 3 DA H5' 3.790 . 5.790 4.563 4.437 4.607 . 0 0 "[ . 1 . ]" 1
494 2 5 DT H2'' 2 6 DT H3' 2.670 . 4.670 4.799 4.119 4.912 0.242 15 0 "[ . 1 . ]" 1
495 2 4 DC H1' 2 4 DC H5'' 4.260 2.260 6.260 4.964 4.139 5.095 . 0 0 "[ . 1 . ]" 1
496 1 3 DC H41 1 4 DG H1 4.500 2.500 6.500 3.924 3.710 4.331 . 0 0 "[ . 1 . ]" 1
497 1 5 DT H2'' 1 5 DT H5' 4.740 2.740 6.740 4.167 4.072 4.755 . 0 0 "[ . 1 . ]" 1
498 2 7 DC H3' 2 7 DC H4' 3.020 . 5.020 2.727 2.724 2.729 . 0 0 "[ . 1 . ]" 1
499 1 2 DG H3' 1 2 DG H5'' 4.070 2.070 6.070 2.931 2.712 3.266 . 0 0 "[ . 1 . ]" 1
500 2 1 DG H2'' 2 1 DG H4' 2.620 . 4.620 4.058 4.050 4.071 . 0 0 "[ . 1 . ]" 1
501 1 3 DC H41 2 7 DC H5 5.790 3.790 7.790 6.017 5.800 6.131 . 0 0 "[ . 1 . ]" 1
502 1 3 DC H42 1 3 DC H6 3.740 . 5.740 4.631 4.623 4.637 . 0 0 "[ . 1 . ]" 1
503 2 1 DG H1' 2 1 DG H5'' 3.700 . 5.700 5.085 5.030 5.117 . 0 0 "[ . 1 . ]" 1
504 2 2 DG H4' 2 2 DG H8 3.270 . 5.270 5.045 4.837 5.161 . 0 0 "[ . 1 . ]" 1
505 2 6 DT H6 2 7 DC H6 3.880 . 5.880 5.202 4.647 5.327 . 0 0 "[ . 1 . ]" 1
506 1 5 DT H2'' 1 5 DT H5'' 3.770 . 5.770 5.183 5.037 5.209 . 0 0 "[ . 1 . ]" 1
507 1 4 DG H1 1 5 DT H1' 4.160 2.160 6.160 6.209 6.040 6.352 0.192 14 0 "[ . 1 . ]" 1
508 2 3 DA H2'' 2 3 DA H5'' 2.950 . 4.950 4.801 4.738 4.961 0.011 7 0 "[ . 1 . ]" 1
509 1 3 DC H2' 1 4 DG H2' 3.440 . 5.440 5.260 5.064 5.474 0.034 3 0 "[ . 1 . ]" 1
510 2 5 DT H1' 2 5 DT M7 3.980 . 5.980 5.165 5.156 5.174 . 0 0 "[ . 1 . ]" 1
511 1 3 DC H2'' 1 4 DG H8 2.730 2.230 3.230 2.277 2.052 2.402 0.178 16 0 "[ . 1 . ]" 1
512 2 10 DG H2' 2 10 DG H8 2.250 . 2.750 2.288 2.164 2.762 0.012 8 0 "[ . 1 . ]" 1
513 2 8 DG H2'' 2 8 DG H3' 2.240 . 2.740 2.675 2.672 2.680 . 0 0 "[ . 1 . ]" 1
514 1 4 DG H2' 1 4 DG H8 2.270 . 2.770 2.358 2.142 2.907 0.137 3 0 "[ . 1 . ]" 1
515 1 4 DG H1' 1 4 DG H2' 2.350 . 2.850 2.999 2.991 3.004 0.154 16 0 "[ . 1 . ]" 1
516 1 1 DC H2' 1 1 DC H6 2.190 . 2.690 2.335 2.187 2.705 0.015 13 0 "[ . 1 . ]" 1
517 1 3 DC H2' 1 3 DC H6 2.180 . 2.680 1.975 1.917 2.121 . 0 0 "[ . 1 . ]" 1
518 1 6 DT H1' 1 7 DG H8 3.310 2.810 3.810 3.844 3.483 4.009 0.199 17 0 "[ . 1 . ]" 1
519 2 9 DC H2' 2 9 DC H6 2.000 . 2.500 2.045 1.951 2.177 . 0 0 "[ . 1 . ]" 1
520 1 4 DG H8 1 5 DT M7 3.430 2.930 3.930 2.916 2.471 3.155 0.459 14 0 "[ . 1 . ]" 1
521 1 9 DC H2'' 1 10 DC H6 2.690 2.190 3.190 2.391 2.225 2.760 . 0 0 "[ . 1 . ]" 1
522 1 8 DT H2' 1 8 DT H6 2.090 . 2.590 2.253 2.022 2.392 . 0 0 "[ . 1 . ]" 1
523 2 8 DG H1' 2 8 DG H2' 2.490 . 2.990 3.010 3.009 3.012 0.022 15 0 "[ . 1 . ]" 1
524 2 4 DC H5 2 5 DT M7 4.060 3.560 4.560 3.496 3.246 3.597 0.314 2 0 "[ . 1 . ]" 1
525 2 7 DC H2' 2 7 DC H6 2.150 . 2.650 1.924 1.847 1.987 . 0 0 "[ . 1 . ]" 1
526 2 3 DA H2'' 2 4 DC H6 2.780 2.280 3.280 2.225 2.162 2.318 0.118 4 0 "[ . 1 . ]" 1
527 2 4 DC H2' 2 5 DT H6 3.190 2.690 3.690 3.791 3.729 3.833 0.143 9 0 "[ . 1 . ]" 1
528 1 3 DC H2' 1 4 DG H8 3.090 2.590 3.590 3.323 2.879 3.488 . 0 0 "[ . 1 . ]" 1
529 2 6 DT H2'' 2 7 DC H6 2.440 . 2.940 2.170 2.084 2.444 . 0 0 "[ . 1 . ]" 1
530 2 1 DG H2' 2 1 DG H8 2.280 . 2.780 2.661 2.378 2.889 0.109 11 0 "[ . 1 . ]" 1
531 1 4 DG H1' 1 4 DG H4' 3.330 2.830 3.830 3.521 3.507 3.543 . 0 0 "[ . 1 . ]" 1
532 2 8 DG H2' 2 8 DG H8 2.020 . 2.520 2.169 2.084 2.240 . 0 0 "[ . 1 . ]" 1
533 2 3 DA H2' 2 3 DA H8 2.410 . 2.910 2.271 2.067 2.349 . 0 0 "[ . 1 . ]" 1
534 1 5 DT H2' 1 5 DT H6 2.140 . 2.640 1.799 1.696 1.833 . 0 0 "[ . 1 . ]" 1
535 1 9 DC H2' 1 9 DC H6 1.970 . 2.470 1.913 1.818 1.964 . 0 0 "[ . 1 . ]" 1
536 1 10 DC H1' 1 10 DC H4' 4.020 3.520 4.520 3.574 3.569 3.592 . 0 0 "[ . 1 . ]" 1
537 2 4 DC H2'' 2 5 DT H6 2.680 2.180 3.180 2.330 2.260 2.379 . 0 0 "[ . 1 . ]" 1
538 1 1 DC H1' 1 2 DG H8 3.390 2.890 3.890 3.918 3.314 4.038 0.148 5 0 "[ . 1 . ]" 1
539 1 2 DG H5' 1 2 DG H8 3.120 2.620 3.620 3.688 3.611 3.811 0.191 9 0 "[ . 1 . ]" 1
540 1 7 DG H8 1 8 DT M7 3.810 3.310 4.310 2.968 2.621 3.385 0.689 5 5 "[ ** +*- 1 . ]" 1
541 1 5 DT H2'' 1 6 DT H6 2.180 . 2.680 2.461 2.319 2.620 . 0 0 "[ . 1 . ]" 1
542 2 6 DT H2' 2 6 DT H6 2.270 . 2.770 1.973 1.762 2.050 0.008 14 0 "[ . 1 . ]" 1
543 1 8 DT H2'' 1 9 DC H6 2.300 . 2.800 2.202 2.044 2.381 . 0 0 "[ . 1 . ]" 1
544 2 2 DG H2' 2 2 DG H8 2.050 . 2.550 2.098 1.993 2.230 . 0 0 "[ . 1 . ]" 1
545 1 3 DC H2'' 1 3 DC H3' 2.530 2.030 3.030 2.672 2.665 2.677 . 0 0 "[ . 1 . ]" 1
546 1 8 DT H1' 1 8 DT H4' 3.060 2.560 3.560 3.567 3.549 3.586 0.026 17 0 "[ . 1 . ]" 1
547 1 7 DG H2'' 1 8 DT H6 2.420 . 2.920 2.893 2.615 3.024 0.104 13 0 "[ . 1 . ]" 1
548 1 1 DC H2'' 1 2 DG H8 2.640 2.140 3.140 2.182 2.067 2.270 0.073 9 0 "[ . 1 . ]" 1
549 1 9 DC H1' 1 9 DC H2' 2.470 . 2.970 3.013 3.011 3.015 0.045 14 0 "[ . 1 . ]" 1
550 2 7 DC H2' 2 8 DG H8 3.150 2.650 3.650 3.683 3.569 3.759 0.109 14 0 "[ . 1 . ]" 1
551 1 4 DG H2'' 1 5 DT H5'' 2.870 2.370 3.370 3.340 3.250 3.391 0.021 6 0 "[ . 1 . ]" 1
552 1 7 DG H2' 1 7 DG H8 2.310 . 2.810 2.067 2.008 2.117 . 0 0 "[ . 1 . ]" 1
553 2 8 DG H8 2 9 DC H5 3.670 2.670 4.670 3.932 3.508 4.298 . 0 0 "[ . 1 . ]" 1
554 2 4 DC H2' 2 4 DC H6 2.410 . 3.410 1.899 1.810 1.997 . 0 0 "[ . 1 . ]" 1
555 2 3 DA H2'' 2 4 DC H5 3.570 2.570 4.570 2.895 2.655 3.277 . 0 0 "[ . 1 . ]" 1
556 2 3 DA H2'' 2 3 DA H8 2.780 . 3.780 3.728 3.322 3.832 0.052 4 0 "[ . 1 . ]" 1
557 2 7 DC H2'' 2 8 DG H8 2.730 . 3.730 2.267 2.198 2.333 . 0 0 "[ . 1 . ]" 1
558 2 9 DC H2' 2 10 DG H8 3.210 2.210 4.210 3.986 3.620 4.124 . 0 0 "[ . 1 . ]" 1
559 2 3 DA H8 2 4 DC H5 3.420 2.420 4.420 3.829 2.871 4.292 . 0 0 "[ . 1 . ]" 1
560 2 2 DG H2'' 2 2 DG H3' 2.270 . 3.270 2.679 2.673 2.685 . 0 0 "[ . 1 . ]" 1
561 1 7 DG H2'' 1 8 DT M7 3.710 2.710 4.710 2.651 2.193 3.159 0.517 10 1 "[ . + . ]" 1
562 2 7 DC H2'' 2 7 DC H6 2.560 . 3.560 3.451 3.330 3.537 . 0 0 "[ . 1 . ]" 1
563 2 7 DC H1' 2 7 DC H2' 3.100 2.100 4.100 3.010 3.007 3.013 . 0 0 "[ . 1 . ]" 1
564 2 10 DG H1' 2 10 DG H4' 3.780 2.780 4.780 3.596 3.586 3.604 . 0 0 "[ . 1 . ]" 1
565 2 10 DG H1' 2 10 DG H2' 2.610 . 3.610 3.013 3.005 3.015 . 0 0 "[ . 1 . ]" 1
566 2 2 DG H1' 2 2 DG H2' 2.430 . 3.430 3.010 3.007 3.012 . 0 0 "[ . 1 . ]" 1
567 1 8 DT H2'' 1 8 DT H3' 2.320 . 3.320 2.669 2.664 2.673 . 0 0 "[ . 1 . ]" 1
568 1 1 DC H1' 1 1 DC H4' 3.670 2.670 4.670 3.579 3.567 3.586 . 0 0 "[ . 1 . ]" 1
569 2 3 DA H1' 2 3 DA H2' 2.950 . 3.950 3.014 3.012 3.017 . 0 0 "[ . 1 . ]" 1
570 2 8 DG H2'' 2 9 DC H5 3.410 2.410 4.410 2.557 2.384 3.043 0.026 9 0 "[ . 1 . ]" 1
571 2 4 DC H2'' 2 4 DC H3' 2.980 . 3.980 2.676 2.671 2.682 . 0 0 "[ . 1 . ]" 1
572 1 1 DC H3' 1 2 DG H8 3.920 2.920 4.920 4.412 4.224 4.484 . 0 0 "[ . 1 . ]" 1
573 1 9 DC H2'' 1 9 DC H6 2.580 . 3.580 3.463 3.362 3.528 . 0 0 "[ . 1 . ]" 1
574 2 3 DA H4' 2 3 DA H8 4.420 3.420 5.420 4.983 4.888 5.324 . 0 0 "[ . 1 . ]" 1
575 2 1 DG H2'' 2 1 DG H3' 2.470 . 4.470 2.672 2.668 2.675 . 0 0 "[ . 1 . ]" 1
576 1 8 DT H2'' 1 8 DT H6 2.830 . 4.830 3.777 3.554 3.892 . 0 0 "[ . 1 . ]" 1
577 2 2 DG H2'' 2 2 DG H8 2.250 . 4.250 3.537 3.366 3.746 . 0 0 "[ . 1 . ]" 1
578 2 8 DG H2' 2 9 DC H6 2.680 . 4.680 3.921 3.768 4.019 . 0 0 "[ . 1 . ]" 1
579 1 5 DT H2' 1 5 DT H5'' 2.870 . 4.870 4.107 3.988 4.151 . 0 0 "[ . 1 . ]" 1
580 2 9 DC H1' 2 9 DC H2' 2.930 . 4.930 3.014 3.009 3.016 . 0 0 "[ . 1 . ]" 1
581 1 1 DC H2'' 1 1 DC H3' 3.010 . 5.010 2.669 2.664 2.673 . 0 0 "[ . 1 . ]" 1
582 2 3 DA H2' 2 4 DC H6 3.130 . 5.130 3.791 3.677 4.030 . 0 0 "[ . 1 . ]" 1
583 2 6 DT M7 2 7 DC H5 4.900 2.900 6.900 4.271 3.677 4.450 . 0 0 "[ . 1 . ]" 1
584 2 1 DG H2'' 2 1 DG H8 2.450 . 4.450 4.130 3.893 4.305 . 0 0 "[ . 1 . ]" 1
585 2 1 DG H1' 2 1 DG H2' 3.020 . 5.020 3.010 3.005 3.012 . 0 0 "[ . 1 . ]" 1
586 2 4 DC H3' 2 5 DT H6 3.850 . 5.850 4.977 4.905 5.034 . 0 0 "[ . 1 . ]" 1
587 2 9 DC H1' 2 9 DC H4' 3.680 . 5.680 3.568 3.555 3.604 . 0 0 "[ . 1 . ]" 1
588 1 7 DG H2' 1 8 DT H6 2.850 . 4.850 4.262 4.052 4.485 . 0 0 "[ . 1 . ]" 1
589 1 2 DG H1' 1 3 DC H6 3.730 . 5.730 2.717 2.504 2.945 . 0 0 "[ . 1 . ]" 1
590 1 7 DG H1' 1 7 DG H2' 2.770 . 4.770 3.012 3.009 3.013 . 0 0 "[ . 1 . ]" 1
591 2 10 DG H2'' 2 10 DG H3' 2.720 . 4.720 2.676 2.674 2.677 . 0 0 "[ . 1 . ]" 1
592 2 4 DC H1' 2 5 DT H6 4.710 2.710 6.710 2.833 2.657 3.024 0.053 12 0 "[ . 1 . ]" 1
593 2 1 DG H1' 2 2 DG H8 2.770 . 4.770 4.125 3.246 4.662 . 0 0 "[ . 1 . ]" 1
594 1 1 DC H2'' 1 1 DC H6 3.100 . 5.100 3.850 3.735 4.120 . 0 0 "[ . 1 . ]" 1
595 1 5 DT H2' 1 6 DT H6 2.700 . 4.700 4.063 3.972 4.306 . 0 0 "[ . 1 . ]" 1
596 2 8 DG H2'' 2 8 DG H8 2.910 . 4.910 3.659 3.517 3.781 . 0 0 "[ . 1 . ]" 1
597 2 4 DC H1' 2 4 DC H2' 3.870 . 5.870 3.013 3.010 3.016 . 0 0 "[ . 1 . ]" 1
598 1 7 DG H4' 1 7 DG H8 5.250 3.250 7.250 5.004 4.936 5.120 . 0 0 "[ . 1 . ]" 1
599 2 6 DT H2' 2 7 DC H6 2.950 . 4.950 3.809 3.724 4.070 . 0 0 "[ . 1 . ]" 1
600 1 8 DT M7 1 9 DC H5 5.540 3.540 7.540 4.719 4.151 4.849 . 0 0 "[ . 1 . ]" 1
601 2 4 DC H4' 2 4 DC H6 4.200 2.200 6.200 4.700 4.587 4.786 . 0 0 "[ . 1 . ]" 1
602 2 4 DC H2'' 2 4 DC H6 3.260 . 5.260 3.433 3.331 3.550 . 0 0 "[ . 1 . ]" 1
603 1 2 DG H8 1 3 DC H5 5.230 3.230 7.230 3.783 3.510 4.087 . 0 0 "[ . 1 . ]" 1
604 2 3 DA H1' 2 3 DA H4' 3.970 . 5.970 3.549 3.532 3.561 . 0 0 "[ . 1 . ]" 1
605 2 7 DC H2'' 2 7 DC H3' 3.140 . 5.140 2.676 2.672 2.680 . 0 0 "[ . 1 . ]" 1
606 2 8 DG H2'' 2 9 DC H6 3.120 . 5.120 2.257 2.198 2.378 . 0 0 "[ . 1 . ]" 1
607 1 3 DC H3' 1 4 DG H8 5.090 3.090 7.090 4.868 4.640 4.996 . 0 0 "[ . 1 . ]" 1
608 2 8 DG H2' 2 9 DC H5 4.130 2.130 6.130 3.195 3.066 3.512 . 0 0 "[ . 1 . ]" 1
609 1 3 DC H2'' 1 3 DC H6 3.560 . 5.560 3.544 3.482 3.661 . 0 0 "[ . 1 . ]" 1
610 2 4 DC H6 2 5 DT H6 4.220 2.220 6.220 4.797 4.669 4.936 . 0 0 "[ . 1 . ]" 1
611 1 8 DT H2'' 1 9 DC H5 4.160 2.160 6.160 2.548 2.420 3.154 . 0 0 "[ . 1 . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 55
_Distance_constraint_stats_list.Viol_count 935
_Distance_constraint_stats_list.Viol_total 635.885
_Distance_constraint_stats_list.Viol_max 0.275
_Distance_constraint_stats_list.Viol_rms 0.0406
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0400
_Distance_constraint_stats_list.Viol_average_violations_only 0.0400
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 3.657 0.109 8 0 "[ . 1 . ]"
1 2 DG 4.094 0.142 3 0 "[ . 1 . ]"
1 3 DC 4.880 0.146 3 0 "[ . 1 . ]"
1 4 DG 8.046 0.275 13 0 "[ . 1 . ]"
1 7 DG 4.531 0.165 12 0 "[ . 1 . ]"
1 8 DT 4.308 0.157 6 0 "[ . 1 . ]"
1 9 DC 3.933 0.112 15 0 "[ . 1 . ]"
1 10 DC 3.957 0.177 12 0 "[ . 1 . ]"
2 1 DG 3.957 0.177 12 0 "[ . 1 . ]"
2 2 DG 3.933 0.112 15 0 "[ . 1 . ]"
2 3 DA 4.308 0.157 6 0 "[ . 1 . ]"
2 4 DC 4.531 0.165 12 0 "[ . 1 . ]"
2 7 DC 8.046 0.275 13 0 "[ . 1 . ]"
2 8 DG 4.880 0.146 3 0 "[ . 1 . ]"
2 9 DC 4.094 0.142 3 0 "[ . 1 . ]"
2 10 DG 3.657 0.109 8 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 N4 2 10 DG O6 2.910 2.910 2.910 2.882 2.825 2.916 0.085 16 0 "[ . 1 . ]" 2
2 1 1 DC N3 2 10 DG N1 2.950 2.950 2.950 2.939 2.891 2.959 0.059 13 0 "[ . 1 . ]" 2
3 1 1 DC N3 2 10 DG H1 1.900 . 1.900 1.928 1.880 1.947 0.047 9 0 "[ . 1 . ]" 2
4 1 1 DC O2 2 10 DG N2 2.860 2.860 2.860 2.861 2.751 2.938 0.109 8 0 "[ . 1 . ]" 2
5 1 2 DG O6 2 9 DC N4 2.910 2.910 2.910 2.896 2.818 2.972 0.092 9 0 "[ . 1 . ]" 2
6 1 2 DG N1 2 9 DC N3 2.950 2.950 2.950 2.910 2.870 2.947 0.080 9 0 "[ . 1 . ]" 2
7 1 2 DG H1 2 9 DC N3 1.900 . 1.900 1.900 1.860 1.936 0.040 9 0 "[ . 1 . ]" 2
8 1 2 DG N2 2 9 DC O2 2.860 2.860 2.860 2.790 2.718 2.864 0.142 3 0 "[ . 1 . ]" 2
9 1 3 DC N4 2 8 DG O6 2.910 2.910 2.910 2.950 2.906 3.024 0.114 3 0 "[ . 1 . ]" 2
10 1 3 DC N3 2 8 DG N1 2.950 2.950 2.950 2.961 2.924 2.998 0.048 1 0 "[ . 1 . ]" 2
11 1 3 DC N3 2 8 DG H1 1.900 . 1.900 1.951 1.913 1.987 0.087 9 0 "[ . 1 . ]" 2
12 1 3 DC O2 2 8 DG N2 2.860 2.860 2.860 2.832 2.714 2.938 0.146 3 0 "[ . 1 . ]" 2
13 1 4 DG O6 2 7 DC N4 2.910 2.910 2.910 3.011 2.910 3.074 0.164 11 0 "[ . 1 . ]" 2
14 1 4 DG N1 2 7 DC N3 2.950 2.950 2.950 2.898 2.875 2.950 0.075 13 0 "[ . 1 . ]" 2
15 1 4 DG H1 2 7 DC N3 1.900 . 1.900 1.891 1.870 1.941 0.041 3 0 "[ . 1 . ]" 2
16 1 4 DG N2 2 7 DC O2 2.860 2.860 2.860 2.649 2.585 2.847 0.275 13 0 "[ . 1 . ]" 2
17 1 7 DG O6 2 4 DC N4 2.910 2.910 2.910 2.888 2.790 2.951 0.120 11 0 "[ . 1 . ]" 2
18 1 7 DG N1 2 4 DC N3 2.950 2.950 2.950 2.895 2.865 2.916 0.085 13 0 "[ . 1 . ]" 2
19 1 7 DG H1 2 4 DC N3 1.900 . 1.900 1.885 1.856 1.905 0.044 13 0 "[ . 1 . ]" 2
20 1 7 DG N2 2 4 DC O2 2.860 2.860 2.860 2.769 2.695 2.885 0.165 12 0 "[ . 1 . ]" 2
21 1 8 DT O4 2 3 DA N6 2.950 2.950 2.950 2.944 2.903 3.015 0.065 5 0 "[ . 1 . ]" 2
22 1 8 DT N3 2 3 DA N1 2.820 2.820 2.820 2.933 2.876 2.977 0.157 6 0 "[ . 1 . ]" 2
23 1 8 DT H3 2 3 DA N1 1.900 . 1.900 1.924 1.868 1.969 0.069 6 0 "[ . 1 . ]" 2
24 1 9 DC N4 2 2 DG O6 2.910 2.910 2.910 2.906 2.829 2.955 0.081 14 0 "[ . 1 . ]" 2
25 1 9 DC N3 2 2 DG N1 2.950 2.950 2.950 2.923 2.895 2.956 0.055 6 0 "[ . 1 . ]" 2
26 1 9 DC N3 2 2 DG H1 1.900 . 1.900 1.914 1.886 1.946 0.046 7 0 "[ . 1 . ]" 2
27 1 9 DC O2 2 2 DG N2 2.860 2.860 2.860 2.797 2.748 2.866 0.112 15 0 "[ . 1 . ]" 2
28 1 10 DC N4 2 1 DG O6 2.910 2.910 2.910 2.923 2.861 3.005 0.095 13 0 "[ . 1 . ]" 2
29 1 10 DC N3 2 1 DG N1 2.950 2.950 2.950 2.927 2.906 2.946 0.044 12 0 "[ . 1 . ]" 2
30 1 10 DC N3 2 1 DG H1 1.900 . 1.900 1.917 1.898 1.937 0.037 15 0 "[ . 1 . ]" 2
31 1 10 DC O2 2 1 DG N2 2.860 2.860 2.860 2.793 2.683 2.871 0.177 12 0 "[ . 1 . ]" 2
32 1 1 DC H41 2 10 DG H1 2.450 2.450 2.450 2.467 2.451 2.484 0.034 3 0 "[ . 1 . ]" 2
33 1 1 DC N4 2 10 DG N2 5.350 5.350 5.350 5.403 5.390 5.420 0.070 3 0 "[ . 1 . ]" 2
34 1 1 DC O2 2 10 DG O6 5.350 5.350 5.350 5.387 5.343 5.415 0.065 9 0 "[ . 1 . ]" 2
35 1 2 DG H1 2 9 DC H41 2.450 2.450 2.450 2.468 2.426 2.525 0.075 16 0 "[ . 1 . ]" 2
36 1 2 DG N2 2 9 DC N4 5.350 5.350 5.350 5.391 5.359 5.456 0.106 16 0 "[ . 1 . ]" 2
37 1 2 DG O6 2 9 DC O2 5.350 5.350 5.350 5.369 5.326 5.407 0.057 13 0 "[ . 1 . ]" 2
38 1 3 DC H41 2 8 DG H1 2.450 2.450 2.450 2.447 2.423 2.492 0.042 16 0 "[ . 1 . ]" 2
39 1 3 DC N4 2 8 DG N2 5.350 5.350 5.350 5.380 5.352 5.411 0.061 16 0 "[ . 1 . ]" 2
40 1 3 DC O2 2 8 DG O6 5.350 5.350 5.350 5.428 5.365 5.455 0.105 1 0 "[ . 1 . ]" 2
41 1 4 DG H1 2 7 DC H41 2.450 2.450 2.450 2.434 2.382 2.476 0.068 3 0 "[ . 1 . ]" 2
42 1 4 DG N2 2 7 DC N4 5.350 5.350 5.350 5.334 5.312 5.367 0.038 1 0 "[ . 1 . ]" 2
43 1 4 DG O6 2 7 DC O2 5.350 5.350 5.350 5.404 5.358 5.469 0.119 3 0 "[ . 1 . ]" 2
44 1 7 DG H1 2 4 DC Q4 2.450 2.450 2.450 2.438 2.402 2.469 0.048 10 0 "[ . 1 . ]" 2
45 1 7 DG N2 2 4 DC N4 5.350 5.350 5.350 5.381 5.350 5.401 0.051 7 0 "[ . 1 . ]" 2
46 1 7 DG O6 2 4 DC O2 5.350 5.350 5.350 5.364 5.343 5.406 0.056 10 0 "[ . 1 . ]" 2
47 1 8 DT H3 2 3 DA H61 2.450 2.450 2.450 2.447 2.420 2.478 0.030 7 0 "[ . 1 . ]" 2
48 1 8 DT O2 2 3 DA N6 5.350 5.350 5.350 5.403 5.360 5.427 0.077 6 0 "[ . 1 . ]" 2
49 1 8 DT O4 2 3 DA H2 5.250 5.250 5.250 5.275 5.256 5.305 0.055 1 0 "[ . 1 . ]" 2
50 1 9 DC H41 2 2 DG H1 2.450 2.450 2.450 2.431 2.407 2.464 0.043 14 0 "[ . 1 . ]" 2
51 1 9 DC N4 2 2 DG N2 5.350 5.350 5.350 5.363 5.336 5.405 0.055 7 0 "[ . 1 . ]" 2
52 1 9 DC O2 2 2 DG O6 5.350 5.350 5.350 5.407 5.375 5.430 0.080 12 0 "[ . 1 . ]" 2
53 1 10 DC H41 2 1 DG H1 2.450 2.450 2.450 2.441 2.430 2.464 0.020 3 0 "[ . 1 . ]" 2
54 1 10 DC N4 2 1 DG N2 5.350 5.350 5.350 5.366 5.340 5.384 0.034 1 0 "[ . 1 . ]" 2
55 1 10 DC O2 2 1 DG O6 5.350 5.350 5.350 5.409 5.396 5.433 0.083 15 0 "[ . 1 . ]" 2
stop_
save_
Contact the webmaster for help, if required. Friday, May 31, 2024 11:29:20 PM GMT (wattos1)