NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
378666 |
1hm1   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1hm1
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 438
_Distance_constraint_stats_list.Viol_count 235
_Distance_constraint_stats_list.Viol_total 41.360
_Distance_constraint_stats_list.Viol_max 0.795
_Distance_constraint_stats_list.Viol_rms 0.1345
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0944
_Distance_constraint_stats_list.Viol_average_violations_only 0.1760
_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 2.922 0.448 1 0 "[ ]"
1 2 DT 1.930 0.361 1 0 "[ ]"
1 3 DA 2.469 0.436 1 0 "[ ]"
1 4 DT 7.326 0.795 1 1 [+]
1 5 FAG 5.416 0.795 1 1 [+]
1 6 DA 2.791 0.406 1 0 "[ ]"
1 7 DT 2.076 0.335 1 0 "[ ]"
1 8 DT 1.713 0.398 1 0 "[ ]"
1 9 DC 1.897 0.333 1 0 "[ ]"
1 10 DA 0.833 0.196 1 0 "[ ]"
2 1 DT 1.214 0.267 1 0 "[ ]"
2 2 DG 2.337 0.568 1 1 [+]
2 3 DA 2.744 0.568 1 1 [+]
2 4 DA 3.529 0.449 1 0 "[ ]"
2 5 DT 3.282 0.449 1 0 "[ ]"
2 6 DC 1.984 0.416 1 0 "[ ]"
2 7 DA 2.616 0.416 1 0 "[ ]"
2 8 DT 3.475 0.452 1 0 "[ ]"
2 9 DA 1.780 0.321 1 0 "[ ]"
2 10 DG 2.102 0.487 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' 3.240 2.760 3.720 2.982 2.982 2.982 . 0 0 "[ ]" 1
2 1 1 DC H1' 1 1 DC H2'' 2.170 2.040 2.300 2.315 2.315 2.315 0.015 1 0 "[ ]" 1
3 1 1 DC H1' 1 1 DC H3' 3.890 3.310 4.470 3.813 3.813 3.813 . 0 0 "[ ]" 1
4 1 1 DC H1' 1 1 DC H4' 2.920 2.800 3.040 3.381 3.381 3.381 0.341 1 0 "[ ]" 1
5 1 1 DC H1' 1 1 DC H5' 3.840 3.270 4.410 4.659 4.659 4.659 0.249 1 0 "[ ]" 1
6 1 1 DC H1' 1 1 DC H5'' 4.070 3.700 4.440 4.888 4.888 4.888 0.448 1 0 "[ ]" 1
7 1 1 DC H1' 1 1 DC H6 . 3.680 3.730 3.684 3.684 3.684 . 0 0 "[ ]" 1
8 1 1 DC H1' 1 2 DT H6 4.510 4.200 4.760 4.074 4.074 4.074 0.126 1 0 "[ ]" 1
9 1 1 DC H2' 1 1 DC H3' 2.410 2.290 2.530 2.297 2.297 2.297 . 0 0 "[ ]" 1
10 1 1 DC H2' 1 1 DC H4' 3.270 3.080 3.460 3.777 3.777 3.777 0.317 1 0 "[ ]" 1
11 1 1 DC H2' 1 1 DC H5 4.270 4.020 4.520 4.182 4.182 4.182 . 0 0 "[ ]" 1
12 1 1 DC H2' 1 1 DC H5' 4.090 3.680 4.500 3.923 3.923 3.923 . 0 0 "[ ]" 1
13 1 1 DC H2' 1 1 DC H5'' 3.850 3.680 4.020 3.384 3.384 3.384 0.296 1 0 "[ ]" 1
14 1 1 DC H2' 1 2 DT H6 4.310 3.920 4.700 4.105 4.105 4.105 . 0 0 "[ ]" 1
15 1 1 DC H2'' 1 1 DC H3' 3.400 2.820 3.980 2.703 2.703 2.703 0.117 1 0 "[ ]" 1
16 1 1 DC H2'' 1 1 DC H5 4.730 3.900 5.560 5.353 5.353 5.353 . 0 0 "[ ]" 1
17 1 1 DC H2'' 1 1 DC H5' 4.370 3.690 5.060 5.086 5.086 5.086 0.026 1 0 "[ ]" 1
18 1 1 DC H2'' 1 1 DC H6 3.110 2.980 3.240 3.289 3.289 3.289 0.049 1 0 "[ ]" 1
19 1 1 DC H2'' 1 2 DT H6 2.810 2.420 3.200 2.651 2.651 2.651 . 0 0 "[ ]" 1
20 1 1 DC H3' 1 1 DC H4' 2.710 2.650 2.770 2.708 2.708 2.708 . 0 0 "[ ]" 1
21 1 1 DC H3' 1 1 DC H5' . 3.310 3.310 3.498 3.498 3.498 0.188 1 0 "[ ]" 1
22 1 1 DC H3' 1 1 DC H6 3.910 3.370 4.450 3.879 3.879 3.879 . 0 0 "[ ]" 1
23 1 1 DC H3' 1 2 DT H6 4.540 3.810 5.270 5.130 5.130 5.130 . 0 0 "[ ]" 1
24 1 1 DC H4' 1 1 DC H5' 2.640 2.440 2.840 2.438 2.438 2.438 0.002 1 0 "[ ]" 1
25 1 1 DC H4' 1 1 DC H5'' 3.170 2.990 3.350 2.601 2.601 2.601 0.389 1 0 "[ ]" 1
26 1 1 DC H4' 1 1 DC H6 4.630 4.200 5.060 4.718 4.718 4.718 . 0 0 "[ ]" 1
27 1 1 DC H5' 1 1 DC H5'' 1.990 . 2.240 1.772 1.772 1.772 . 0 0 "[ ]" 1
28 1 1 DC H5' 1 1 DC H6 4.280 3.860 4.700 4.061 4.061 4.061 . 0 0 "[ ]" 1
29 1 1 DC H5'' 1 1 DC H6 4.730 4.340 5.120 4.103 4.103 4.103 0.237 1 0 "[ ]" 1
30 1 1 DC H6 1 2 DT H6 4.610 4.180 5.040 5.161 5.161 5.161 0.121 1 0 "[ ]" 1
31 1 2 DT H1' 1 2 DT H2' 2.510 2.340 2.680 2.973 2.973 2.973 0.293 1 0 "[ ]" 1
32 1 2 DT H1' 1 2 DT H2'' 2.240 2.160 2.320 2.299 2.299 2.299 . 0 0 "[ ]" 1
33 1 2 DT H1' 1 2 DT H3' 3.880 3.880 3.880 3.797 3.797 3.797 0.083 1 0 "[ ]" 1
34 1 2 DT H1' 1 2 DT H4' 3.330 3.230 3.430 3.479 3.479 3.479 0.049 1 0 "[ ]" 1
35 1 2 DT H1' 1 2 DT H6 4.080 3.420 4.740 3.667 3.667 3.667 . 0 0 "[ ]" 1
36 1 2 DT H1' 1 3 DA H4' 4.910 4.680 5.140 5.128 5.128 5.128 . 0 0 "[ ]" 1
37 1 2 DT H1' 1 3 DA H8 3.960 3.520 4.400 3.757 3.757 3.757 . 0 0 "[ ]" 1
38 1 2 DT H2' 1 2 DT H2'' 2.090 . 2.380 1.769 1.769 1.769 0.031 1 0 "[ ]" 1
39 1 2 DT H2' 1 2 DT H3' 2.310 . 2.810 2.284 2.284 2.284 . 0 0 "[ ]" 1
40 1 2 DT H2' 1 2 DT H5' 4.230 3.670 4.790 3.748 3.748 3.748 . 0 0 "[ ]" 1
41 1 2 DT H2' 1 2 DT H5'' 3.790 3.410 4.170 3.642 3.642 3.642 . 0 0 "[ ]" 1
42 1 2 DT H2' 1 2 DT H6 2.250 2.110 2.390 1.870 1.870 1.870 0.240 1 0 "[ ]" 1
43 1 2 DT H2' 1 3 DA H8 4.770 4.570 4.970 4.526 4.526 4.526 0.044 1 0 "[ ]" 1
44 1 2 DT H2'' 1 2 DT H3' 2.150 2.030 2.270 2.631 2.631 2.631 0.361 1 0 "[ ]" 1
45 1 2 DT H2'' 1 2 DT H5' 4.630 4.380 4.880 4.947 4.947 4.947 0.067 1 0 "[ ]" 1
46 1 2 DT H2'' 1 2 DT H5'' 5.010 4.710 5.310 4.692 4.692 4.692 0.018 1 0 "[ ]" 1
47 1 2 DT H2'' 1 2 DT H6 2.970 2.840 3.100 3.114 3.114 3.114 0.014 1 0 "[ ]" 1
48 1 2 DT H2'' 1 3 DA H8 3.070 2.870 3.150 2.829 2.829 2.829 0.041 1 0 "[ ]" 1
49 1 2 DT H3 2 8 DT H3 4.150 3.700 4.600 3.666 3.666 3.666 0.034 1 0 "[ ]" 1
50 1 2 DT H3' 1 2 DT H4' 2.600 2.500 2.700 2.706 2.706 2.706 0.006 1 0 "[ ]" 1
51 1 2 DT H3' 1 2 DT H5' 3.130 2.980 3.280 3.539 3.539 3.539 0.259 1 0 "[ ]" 1
52 1 2 DT H3' 1 2 DT H5'' 2.730 2.420 3.040 2.484 2.484 2.484 . 0 0 "[ ]" 1
53 1 2 DT H3' 1 2 DT H6 4.370 3.930 4.810 4.101 4.101 4.101 . 0 0 "[ ]" 1
54 1 2 DT H4' 1 2 DT H6 4.290 3.510 5.070 5.126 5.126 5.126 0.056 1 0 "[ ]" 1
55 1 2 DT H5' 1 2 DT H6 3.580 2.850 4.300 4.385 4.385 4.385 0.085 1 0 "[ ]" 1
56 1 2 DT H5'' 1 2 DT H6 4.760 4.190 5.330 4.849 4.849 4.849 . 0 0 "[ ]" 1
57 1 3 DA H1' 1 3 DA H3' 4.040 3.490 4.590 3.849 3.849 3.849 . 0 0 "[ ]" 1
58 1 3 DA H1' 1 3 DA H4' 3.110 3.040 3.180 3.501 3.501 3.501 0.321 1 0 "[ ]" 1
59 1 3 DA H1' 1 3 DA H8 4.000 3.590 4.410 3.792 3.792 3.792 . 0 0 "[ ]" 1
60 1 3 DA H1' 1 4 DT H4' 4.270 3.950 4.590 4.968 4.968 4.968 0.378 1 0 "[ ]" 1
61 1 3 DA H1' 1 4 DT H5' 3.200 3.050 3.350 2.712 2.712 2.712 0.338 1 0 "[ ]" 1
62 1 3 DA H1' 1 4 DT H6 3.810 3.270 4.350 3.740 3.740 3.740 . 0 0 "[ ]" 1
63 1 3 DA H2' 1 3 DA H3' 2.150 . 2.330 2.244 2.244 2.244 . 0 0 "[ ]" 1
64 1 3 DA H2' 1 3 DA H4' 3.750 3.470 4.040 3.739 3.739 3.739 . 0 0 "[ ]" 1
65 1 3 DA H2' 1 3 DA Q5' 2.830 2.200 3.460 3.211 3.211 3.211 . 0 0 "[ ]" 1
66 1 3 DA H2' 1 3 DA H8 2.590 2.420 2.760 1.984 1.984 1.984 0.436 1 0 "[ ]" 1
67 1 3 DA H2' 1 4 DT H6 3.950 3.430 4.470 3.854 3.854 3.854 . 0 0 "[ ]" 1
68 1 3 DA H2'' 1 3 DA H3' 2.240 2.030 2.450 2.627 2.627 2.627 0.177 1 0 "[ ]" 1
69 1 3 DA H2'' 1 3 DA Q5' 4.360 4.170 4.550 4.222 4.222 4.222 . 0 0 "[ ]" 1
70 1 3 DA H2'' 1 3 DA H8 2.910 2.750 3.070 3.261 3.261 3.261 0.191 1 0 "[ ]" 1
71 1 3 DA H2'' 1 4 DT H1' 5.010 4.690 5.330 5.580 5.580 5.580 0.250 1 0 "[ ]" 1
72 1 3 DA H2'' 1 4 DT Q2' 3.410 2.740 4.080 3.851 3.851 3.851 . 0 0 "[ ]" 1
73 1 3 DA H2'' 1 4 DT H6 2.690 2.550 2.830 2.366 2.366 2.366 0.184 1 0 "[ ]" 1
74 1 3 DA H3' 1 3 DA H4' 2.520 2.460 2.580 2.690 2.690 2.690 0.110 1 0 "[ ]" 1
75 1 3 DA H3' 1 3 DA H8 3.840 3.330 4.350 4.145 4.145 4.145 . 0 0 "[ ]" 1
76 1 3 DA H3' 1 4 DT H6 4.840 4.000 5.680 4.756 4.756 4.756 . 0 0 "[ ]" 1
77 1 3 DA H4' 1 3 DA H8 5.390 4.840 5.940 5.136 5.136 5.136 . 0 0 "[ ]" 1
78 1 3 DA H8 1 4 DT H6 4.480 3.730 5.230 4.733 4.733 4.733 . 0 0 "[ ]" 1
79 1 4 DT H1' 1 4 DT Q2' 2.620 2.530 2.650 2.176 2.176 2.176 0.354 1 0 "[ ]" 1
80 1 4 DT H1' 1 4 DT H3' 4.840 3.860 5.820 4.013 4.013 4.013 . 0 0 "[ ]" 1
81 1 4 DT H1' 1 4 DT H5' 4.900 4.490 5.310 4.650 4.650 4.650 . 0 0 "[ ]" 1
82 1 4 DT H1' 1 4 DT H6 3.790 3.110 4.470 3.712 3.712 3.712 . 0 0 "[ ]" 1
83 1 4 DT H1' 1 5 FAG H1' 5.250 4.620 5.880 6.346 6.346 6.346 0.466 1 0 "[ ]" 1
84 1 4 DT H1' 1 5 FAG H3' 6.500 5.920 7.080 6.170 6.170 6.170 . 0 0 "[ ]" 1
85 1 4 DT H1' 1 5 FAG H5B 4.000 3.830 4.170 3.499 3.499 3.499 0.331 1 0 "[ ]" 1
86 1 4 DT H1' 1 5 FAG H8A 5.100 4.980 5.210 5.967 5.967 5.967 0.757 1 1 [+] 1
87 1 4 DT H2' 1 4 DT H2'' 2.100 . 2.230 1.775 1.775 1.775 0.195 1 0 "[ ]" 1
88 1 4 DT Q2' 1 4 DT H3' . 2.710 2.760 2.211 2.211 2.211 0.499 1 0 "[ ]" 1
89 1 4 DT Q2' 1 4 DT H5' 3.680 2.990 4.370 4.008 4.008 4.008 . 0 0 "[ ]" 1
90 1 4 DT Q2' 1 4 DT H5'' 3.870 3.710 4.030 3.862 3.862 3.862 . 0 0 "[ ]" 1
91 1 4 DT Q2' 1 4 DT H6 2.400 2.310 2.490 1.806 1.806 1.806 0.504 1 1 [+] 1
92 1 4 DT Q2' 1 5 FAG H5B 4.980 4.880 5.080 4.557 4.557 4.557 0.323 1 0 "[ ]" 1
93 1 4 DT Q2' 1 5 FAG H6A 2.930 2.710 3.150 1.915 1.915 1.915 0.795 1 1 [+] 1
94 1 4 DT Q2' 1 5 FAG H9A 3.710 3.590 3.830 3.577 3.577 3.577 0.013 1 0 "[ ]" 1
95 1 4 DT H3 2 8 DT H3 4.150 3.700 4.600 4.672 4.672 4.672 0.072 1 0 "[ ]" 1
96 1 4 DT H3' 1 4 DT H4' 3.280 3.030 3.530 2.761 2.761 2.761 0.269 1 0 "[ ]" 1
97 1 4 DT H3' 1 4 DT H5' 3.180 3.050 3.310 3.556 3.556 3.556 0.246 1 0 "[ ]" 1
98 1 4 DT H3' 1 4 DT H5'' 2.740 2.640 2.840 2.541 2.541 2.541 0.099 1 0 "[ ]" 1
99 1 4 DT H3' 1 4 DT H6 3.310 3.200 3.420 3.589 3.589 3.589 0.169 1 0 "[ ]" 1
100 1 4 DT H4' 1 4 DT H6 4.900 4.900 4.900 4.800 4.800 4.800 0.100 1 0 "[ ]" 1
101 1 4 DT H5' 1 4 DT H6 4.370 4.370 4.370 3.996 3.996 3.996 0.374 1 0 "[ ]" 1
102 1 4 DT H5'' 1 4 DT H6 4.510 4.390 4.630 4.335 4.335 4.335 0.055 1 0 "[ ]" 1
103 1 4 DT H6 1 5 FAG H6A 3.090 3.040 3.140 2.662 2.662 2.662 0.378 1 0 "[ ]" 1
104 1 4 DT H6 1 5 FAG H9A 4.060 3.790 4.330 3.612 3.612 3.612 0.178 1 0 "[ ]" 1
105 1 5 FAG H1 2 5 DT H3 4.150 3.700 4.600 4.335 4.335 4.335 . 0 0 "[ ]" 1
106 1 5 FAG H1' 1 5 FAG H3' 3.920 3.320 4.520 3.891 3.891 3.891 . 0 0 "[ ]" 1
107 1 5 FAG H1' 1 6 DA H8 3.350 3.250 3.450 3.126 3.126 3.126 0.124 1 0 "[ ]" 1
108 1 5 FAG H3' 1 6 DA H5' 4.390 4.220 4.560 4.552 4.552 4.552 . 0 0 "[ ]" 1
109 1 5 FAG H5B 1 5 FAG H6A 4.200 4.110 4.290 4.402 4.402 4.402 0.112 1 0 "[ ]" 1
110 1 5 FAG H6A 1 5 FAG H8 4.640 4.140 5.140 5.255 5.255 5.255 0.115 1 0 "[ ]" 1
111 1 5 FAG H6A 1 5 FAG H8A 3.690 3.560 3.820 3.719 3.719 3.719 . 0 0 "[ ]" 1
112 1 5 FAG H6A 1 5 FAG H9 3.570 3.380 3.760 3.974 3.974 3.974 0.214 1 0 "[ ]" 1
113 1 5 FAG H6A 1 5 FAG H9A 2.330 2.300 2.360 2.010 2.010 2.010 0.290 1 0 "[ ]" 1
114 1 5 FAG H8 1 5 FAG H8A 2.190 2.150 2.230 1.947 1.947 1.947 0.203 1 0 "[ ]" 1
115 1 5 FAG H8 1 5 FAG H9 3.750 3.240 4.260 4.122 4.122 4.122 . 0 0 "[ ]" 1
116 1 5 FAG H8 1 5 FAG H9A 4.680 4.430 4.940 5.557 5.557 5.557 0.617 1 1 [+] 1
117 1 5 FAG H8A 1 5 FAG H9 2.780 2.610 2.950 2.720 2.720 2.720 . 0 0 "[ ]" 1
118 1 5 FAG H8A 1 5 FAG H9A 4.680 3.940 5.420 3.850 3.850 3.850 0.090 1 0 "[ ]" 1
119 1 5 FAG H9 1 5 FAG H9A 3.760 3.080 4.430 2.671 2.671 2.671 0.409 1 0 "[ ]" 1
120 1 6 DA H1' 1 6 DA H2' 2.330 2.050 2.610 2.926 2.926 2.926 0.316 1 0 "[ ]" 1
121 1 6 DA H1' 1 6 DA H2'' 2.040 . 2.190 2.292 2.292 2.292 0.102 1 0 "[ ]" 1
122 1 6 DA H1' 1 6 DA H3' 3.640 3.420 3.870 3.847 3.847 3.847 . 0 0 "[ ]" 1
123 1 6 DA H1' 1 6 DA H4' 3.270 3.170 3.370 3.490 3.490 3.490 0.120 1 0 "[ ]" 1
124 1 6 DA H1' 1 6 DA H5' 3.580 2.780 4.380 4.586 4.586 4.586 0.206 1 0 "[ ]" 1
125 1 6 DA H1' 1 6 DA H8 3.800 3.470 4.130 3.843 3.843 3.843 . 0 0 "[ ]" 1
126 1 6 DA H1' 1 7 DT H1' 4.610 4.110 5.110 4.662 4.662 4.662 . 0 0 "[ ]" 1
127 1 6 DA H1' 1 7 DT H6 3.240 2.760 3.720 2.702 2.702 2.702 0.058 1 0 "[ ]" 1
128 1 6 DA H2' 1 6 DA H3' 2.490 2.320 2.660 2.280 2.280 2.280 0.040 1 0 "[ ]" 1
129 1 6 DA H2' 1 6 DA H4' 3.060 2.770 3.350 3.756 3.756 3.756 0.406 1 0 "[ ]" 1
130 1 6 DA H2' 1 6 DA H5'' 3.330 2.820 3.840 3.606 3.606 3.606 . 0 0 "[ ]" 1
131 1 6 DA H2' 1 6 DA H8 2.290 2.140 2.440 2.070 2.070 2.070 0.070 1 0 "[ ]" 1
132 1 6 DA H2' 1 7 DT H6 3.390 3.170 3.610 3.930 3.930 3.930 0.320 1 0 "[ ]" 1
133 1 6 DA H2'' 1 6 DA H3' 2.370 2.250 2.500 2.657 2.657 2.657 0.157 1 0 "[ ]" 1
134 1 6 DA H2'' 1 6 DA H8 3.100 2.050 4.150 3.504 3.504 3.504 . 0 0 "[ ]" 1
135 1 6 DA H2'' 1 7 DT H6 2.840 2.690 2.990 2.495 2.495 2.495 0.195 1 0 "[ ]" 1
136 1 6 DA H3' 1 6 DA H4' 2.540 2.500 2.580 2.695 2.695 2.695 0.115 1 0 "[ ]" 1
137 1 6 DA H3' 1 6 DA H8 3.650 3.080 4.220 4.132 4.132 4.132 . 0 0 "[ ]" 1
138 1 6 DA H3' 1 7 DT H6 4.870 3.830 5.910 5.087 5.087 5.087 . 0 0 "[ ]" 1
139 1 6 DA H4' 1 6 DA H5'' 3.030 2.900 3.160 2.506 2.506 2.506 0.394 1 0 "[ ]" 1
140 1 6 DA H4' 1 6 DA H8 4.820 4.390 5.250 4.999 4.999 4.999 . 0 0 "[ ]" 1
141 1 6 DA H4' 1 7 DT H6 6.540 5.310 7.770 5.783 5.783 5.783 . 0 0 "[ ]" 1
142 1 6 DA H5' 1 6 DA H8 3.680 3.430 3.930 4.093 4.093 4.093 0.163 1 0 "[ ]" 1
143 1 6 DA H5'' 1 6 DA H8 5.710 4.160 7.260 4.492 4.492 4.492 . 0 0 "[ ]" 1
144 1 6 DA H8 1 7 DT H6 5.200 4.930 5.470 4.925 4.925 4.925 0.005 1 0 "[ ]" 1
145 1 7 DT H1' 1 7 DT H2' 3.430 2.680 4.180 3.009 3.009 3.009 . 0 0 "[ ]" 1
146 1 7 DT H1' 1 7 DT H2'' 2.060 . 2.150 2.291 2.291 2.291 0.141 1 0 "[ ]" 1
147 1 7 DT H1' 1 7 DT H3' 4.050 3.290 4.810 3.804 3.804 3.804 . 0 0 "[ ]" 1
148 1 7 DT H1' 1 7 DT H6 3.240 2.550 3.930 3.735 3.735 3.735 . 0 0 "[ ]" 1
149 1 7 DT H1' 1 8 DT H6 3.530 3.260 3.800 3.068 3.068 3.068 0.192 1 0 "[ ]" 1
150 1 7 DT H2' 1 7 DT H2'' 2.130 . 2.270 1.786 1.786 1.786 0.204 1 0 "[ ]" 1
151 1 7 DT H2' 1 7 DT H6 2.590 2.460 2.720 2.125 2.125 2.125 0.335 1 0 "[ ]" 1
152 1 7 DT H2'' 1 7 DT H6 3.290 3.160 3.420 3.552 3.552 3.552 0.132 1 0 "[ ]" 1
153 1 7 DT H2'' 1 8 DT H6 2.550 2.360 2.740 2.427 2.427 2.427 . 0 0 "[ ]" 1
154 1 7 DT H3 1 8 DT H3 4.150 3.700 4.600 3.697 3.697 3.697 0.003 1 0 "[ ]" 1
155 1 7 DT H3 2 5 DT H3 4.150 3.700 4.600 4.636 4.636 4.636 0.036 1 0 "[ ]" 1
156 1 7 DT H3' 1 7 DT H6 3.730 3.400 4.060 4.105 4.105 4.105 0.045 1 0 "[ ]" 1
157 1 7 DT H5' 1 7 DT H6 4.650 3.950 5.350 3.854 3.854 3.854 0.096 1 0 "[ ]" 1
158 1 7 DT H5'' 1 7 DT H6 4.850 4.350 5.350 4.360 4.360 4.360 . 0 0 "[ ]" 1
159 1 7 DT H6 1 8 DT H6 4.110 3.580 4.630 4.943 4.943 4.943 0.313 1 0 "[ ]" 1
160 1 8 DT H1' 1 8 DT H2' 2.710 2.560 2.860 2.993 2.993 2.993 0.133 1 0 "[ ]" 1
161 1 8 DT H1' 1 8 DT H2'' 2.300 2.190 2.410 2.305 2.305 2.305 . 0 0 "[ ]" 1
162 1 8 DT H1' 1 8 DT H6 3.580 3.070 4.090 3.708 3.708 3.708 . 0 0 "[ ]" 1
163 1 8 DT H1' 1 9 DC H5' 2.550 2.220 2.880 2.608 2.608 2.608 . 0 0 "[ ]" 1
164 1 8 DT H1' 1 9 DC H6 3.750 3.420 4.080 3.285 3.285 3.285 0.135 1 0 "[ ]" 1
165 1 8 DT H2' 1 8 DT H3' 2.450 2.360 2.540 2.321 2.321 2.321 0.039 1 0 "[ ]" 1
166 1 8 DT H2' 1 8 DT H5' 3.680 3.530 3.830 3.827 3.827 3.827 . 0 0 "[ ]" 1
167 1 8 DT H2' 1 8 DT H5'' 3.910 3.760 4.060 3.821 3.821 3.821 . 0 0 "[ ]" 1
168 1 8 DT H2' 1 8 DT H6 2.080 . 2.210 1.894 1.894 1.894 0.056 1 0 "[ ]" 1
169 1 8 DT H2'' 1 8 DT H3' 2.810 2.660 2.960 2.692 2.692 2.692 . 0 0 "[ ]" 1
170 1 8 DT H2'' 1 8 DT H6 3.170 2.890 3.450 3.429 3.429 3.429 . 0 0 "[ ]" 1
171 1 8 DT H2'' 1 9 DC H6 2.440 2.050 2.710 2.165 2.165 2.165 . 0 0 "[ ]" 1
172 1 8 DT H3 2 2 DG H1 4.150 3.700 4.600 3.678 3.678 3.678 0.022 1 0 "[ ]" 1
173 1 8 DT H3' 1 8 DT H5' 3.730 3.420 4.040 3.599 3.599 3.599 . 0 0 "[ ]" 1
174 1 8 DT H3' 1 8 DT H5'' 2.820 2.330 3.310 2.603 2.603 2.603 . 0 0 "[ ]" 1
175 1 8 DT H3' 1 8 DT H6 3.780 3.410 4.150 3.858 3.858 3.858 . 0 0 "[ ]" 1
176 1 8 DT H4' 1 8 DT H6 3.920 3.610 4.230 4.628 4.628 4.628 0.398 1 0 "[ ]" 1
177 1 8 DT H5' 1 8 DT H6 3.870 3.720 4.020 3.583 3.583 3.583 0.137 1 0 "[ ]" 1
178 1 8 DT H5'' 1 8 DT H6 4.370 4.220 4.520 4.281 4.281 4.281 . 0 0 "[ ]" 1
179 1 8 DT H6 1 9 DC H5 3.950 3.870 4.030 3.781 3.781 3.781 0.089 1 0 "[ ]" 1
180 1 8 DT H6 1 9 DC H6 4.110 3.720 4.900 5.098 5.098 5.098 0.198 1 0 "[ ]" 1
181 1 9 DC H1' 1 9 DC H2' . 2.600 2.640 2.973 2.973 2.973 0.333 1 0 "[ ]" 1
182 1 9 DC H1' 1 9 DC H2'' 2.160 2.080 2.250 2.283 2.283 2.283 0.033 1 0 "[ ]" 1
183 1 9 DC H1' 1 10 DA H5' 2.760 2.530 2.990 2.507 2.507 2.507 0.023 1 0 "[ ]" 1
184 1 9 DC H1' 1 10 DA H5'' 3.960 3.730 4.190 3.991 3.991 3.991 . 0 0 "[ ]" 1
185 1 9 DC H1' 1 10 DA H8 4.110 3.880 4.340 3.804 3.804 3.804 0.076 1 0 "[ ]" 1
186 1 9 DC H2' 1 9 DC H2'' 2.000 . 2.150 1.773 1.773 1.773 0.077 1 0 "[ ]" 1
187 1 9 DC H2' 1 9 DC H6 2.240 2.110 2.370 1.912 1.912 1.912 0.198 1 0 "[ ]" 1
188 1 9 DC H2' 1 10 DA H8 3.960 3.920 4.190 3.798 3.798 3.798 0.122 1 0 "[ ]" 1
189 1 9 DC H2'' 1 9 DC H6 2.870 2.590 3.150 3.380 3.380 3.380 0.230 1 0 "[ ]" 1
190 1 9 DC H2'' 1 10 DA H8 2.860 2.630 2.950 2.629 2.629 2.629 0.001 1 0 "[ ]" 1
191 1 9 DC H3' 1 9 DC H6 4.060 3.680 4.440 3.947 3.947 3.947 . 0 0 "[ ]" 1
192 1 9 DC H3' 1 10 DA H8 5.200 4.630 5.570 5.217 5.217 5.217 . 0 0 "[ ]" 1
193 1 9 DC H4' 1 9 DC H6 4.670 4.340 5.000 4.756 4.756 4.756 . 0 0 "[ ]" 1
194 1 9 DC H5' 1 9 DC H6 3.590 3.590 3.590 3.708 3.708 3.708 0.118 1 0 "[ ]" 1
195 1 9 DC H5'' 1 9 DC H6 4.110 3.880 4.230 4.340 4.340 4.340 0.110 1 0 "[ ]" 1
196 1 9 DC H6 1 10 DA H8 4.330 4.150 4.510 4.666 4.666 4.666 0.156 1 0 "[ ]" 1
197 1 10 DA H1' 1 10 DA H2' 2.840 2.700 2.980 3.006 3.006 3.006 0.026 1 0 "[ ]" 1
198 1 10 DA H1' 1 10 DA H2'' 2.300 . 2.620 2.312 2.312 2.312 . 0 0 "[ ]" 1
199 1 10 DA H1' 1 10 DA H3' 3.890 3.490 4.290 3.867 3.867 3.867 . 0 0 "[ ]" 1
200 1 10 DA H1' 1 10 DA H4' 3.300 3.160 3.440 3.522 3.522 3.522 0.082 1 0 "[ ]" 1
201 1 10 DA H1' 1 10 DA H5' 4.450 3.900 5.000 4.509 4.509 4.509 . 0 0 "[ ]" 1
202 1 10 DA H1' 1 10 DA H8 3.500 3.210 3.790 3.768 3.768 3.768 . 0 0 "[ ]" 1
203 1 10 DA H2' 1 10 DA H2'' 1.980 . 2.170 1.788 1.788 1.788 0.002 1 0 "[ ]" 1
204 1 10 DA H2' 1 10 DA H3' 2.460 2.280 2.640 2.321 2.321 2.321 . 0 0 "[ ]" 1
205 1 10 DA H2' 1 10 DA H4' 3.710 3.460 3.960 3.826 3.826 3.826 . 0 0 "[ ]" 1
206 1 10 DA H2' 1 10 DA H8 2.490 2.220 2.760 2.070 2.070 2.070 0.150 1 0 "[ ]" 1
207 1 10 DA H2'' 1 10 DA H3' 2.750 2.600 2.910 2.686 2.686 2.686 . 0 0 "[ ]" 1
208 1 10 DA H2'' 1 10 DA H4' 4.150 3.770 4.530 4.063 4.063 4.063 . 0 0 "[ ]" 1
209 1 10 DA H2'' 1 10 DA H8 3.490 3.220 3.760 3.252 3.252 3.252 . 0 0 "[ ]" 1
210 1 10 DA H3' 1 10 DA H4' 2.790 2.610 2.970 2.721 2.721 2.721 . 0 0 "[ ]" 1
211 1 10 DA H3' 1 10 DA H5'' 2.900 2.470 3.330 2.680 2.680 2.680 . 0 0 "[ ]" 1
212 1 10 DA H3' 1 10 DA H8 4.430 4.200 4.660 4.349 4.349 4.349 . 0 0 "[ ]" 1
213 1 10 DA H5' 1 10 DA H8 3.910 3.560 4.260 4.456 4.456 4.456 0.196 1 0 "[ ]" 1
214 1 10 DA H5'' 1 10 DA H8 4.750 4.220 5.280 5.186 5.186 5.186 . 0 0 "[ ]" 1
215 2 1 DT H1' 2 1 DT H2' 2.810 2.640 2.980 3.001 3.001 3.001 0.021 1 0 "[ ]" 1
216 2 1 DT H1' 2 1 DT H3' 3.900 3.900 3.900 3.847 3.847 3.847 0.053 1 0 "[ ]" 1
217 2 1 DT H1' 2 1 DT H4' 3.100 2.940 3.260 3.485 3.485 3.485 0.225 1 0 "[ ]" 1
218 2 1 DT H1' 2 1 DT H6 3.520 3.270 3.870 3.740 3.740 3.740 . 0 0 "[ ]" 1
219 2 1 DT H1' 2 2 DG Q5' 3.290 3.030 3.550 2.912 2.912 2.912 0.118 1 0 "[ ]" 1
220 2 1 DT H1' 2 2 DG H8 . 3.680 3.680 3.838 3.838 3.838 0.158 1 0 "[ ]" 1
221 2 1 DT H2' 2 1 DT H6 2.370 2.240 2.500 2.074 2.074 2.074 0.166 1 0 "[ ]" 1
222 2 1 DT H2' 2 2 DG H8 3.700 3.540 3.860 3.772 3.772 3.772 . 0 0 "[ ]" 1
223 2 1 DT H2'' 2 2 DG H8 3.100 2.940 3.260 2.673 2.673 2.673 0.267 1 0 "[ ]" 1
224 2 1 DT H3' 2 1 DT H6 4.060 3.650 4.470 3.965 3.965 3.965 . 0 0 "[ ]" 1
225 2 1 DT H5' 2 1 DT H6 3.350 3.150 3.630 3.657 3.657 3.657 0.027 1 0 "[ ]" 1
226 2 1 DT H6 2 2 DG H8 4.420 4.080 4.760 4.938 4.938 4.938 0.178 1 0 "[ ]" 1
227 2 2 DG H1' 2 2 DG H2' 2.810 2.710 2.910 2.988 2.988 2.988 0.078 1 0 "[ ]" 1
228 2 2 DG H1' 2 2 DG H2'' 2.100 . 2.230 2.295 2.295 2.295 0.065 1 0 "[ ]" 1
229 2 2 DG H1' 2 2 DG H3' 4.070 3.720 4.420 3.797 3.797 3.797 . 0 0 "[ ]" 1
230 2 2 DG H1' 2 2 DG H4' 3.320 3.240 3.400 3.454 3.454 3.454 0.054 1 0 "[ ]" 1
231 2 2 DG H1' 2 2 DG Q5' 4.070 3.870 4.410 4.239 4.239 4.239 . 0 0 "[ ]" 1
232 2 2 DG H1' 2 2 DG H8 4.180 3.750 4.620 3.770 3.770 3.770 . 0 0 "[ ]" 1
233 2 2 DG H1' 2 3 DA H1' 4.960 4.260 5.660 5.062 5.062 5.062 . 0 0 "[ ]" 1
234 2 2 DG H1' 2 3 DA H3' 4.630 3.910 5.350 5.468 5.468 5.468 0.118 1 0 "[ ]" 1
235 2 2 DG H1' 2 3 DA H4' 4.710 3.780 5.640 4.761 4.761 4.761 . 0 0 "[ ]" 1
236 2 2 DG H1' 2 3 DA H5'' 4.310 3.750 4.870 4.306 4.306 4.306 . 0 0 "[ ]" 1
237 2 2 DG H1' 2 3 DA H8 3.950 3.710 4.190 3.675 3.675 3.675 0.035 1 0 "[ ]" 1
238 2 2 DG H2' 2 2 DG H2'' 1.970 . 2.180 1.784 1.784 1.784 . 0 0 "[ ]" 1
239 2 2 DG H2' 2 2 DG H4' 3.690 3.500 3.880 3.809 3.809 3.809 . 0 0 "[ ]" 1
240 2 2 DG H2' 2 2 DG Q5' 3.850 3.430 4.270 3.334 3.334 3.334 0.096 1 0 "[ ]" 1
241 2 2 DG H2' 2 2 DG H8 2.420 2.270 2.570 2.120 2.120 2.120 0.150 1 0 "[ ]" 1
242 2 2 DG H2'' 2 2 DG H3' 2.580 2.550 2.610 2.658 2.658 2.658 0.048 1 0 "[ ]" 1
243 2 2 DG H2'' 2 2 DG H4' 4.200 . 6.620 4.043 4.043 4.043 . 0 0 "[ ]" 1
244 2 2 DG H2'' 2 2 DG H8 3.440 3.340 3.540 3.246 3.246 3.246 0.094 1 0 "[ ]" 1
245 2 2 DG H2'' 2 3 DA H8 3.600 3.320 3.880 3.170 3.170 3.170 0.150 1 0 "[ ]" 1
246 2 2 DG H3' 2 2 DG H4' 2.510 2.440 2.580 2.706 2.706 2.706 0.126 1 0 "[ ]" 1
247 2 2 DG H3' 2 2 DG H8 4.220 3.980 4.560 4.406 4.406 4.406 . 0 0 "[ ]" 1
248 2 2 DG H3' 2 3 DA H8 5.100 5.100 5.100 5.668 5.668 5.668 0.568 1 1 [+] 1
249 2 2 DG H4' 2 2 DG H8 5.030 4.490 5.570 5.399 5.399 5.399 . 0 0 "[ ]" 1
250 2 2 DG H4' 2 3 DA H8 7.270 6.090 8.450 6.572 6.572 6.572 . 0 0 "[ ]" 1
251 2 2 DG Q5' 2 2 DG H8 4.720 4.390 4.930 4.378 4.378 4.378 0.012 1 0 "[ ]" 1
252 2 2 DG H8 2 3 DA H8 5.280 4.940 5.620 5.287 5.287 5.287 . 0 0 "[ ]" 1
253 2 3 DA H1' 2 3 DA H2' 3.320 2.970 3.670 3.021 3.021 3.021 . 0 0 "[ ]" 1
254 2 3 DA H1' 2 3 DA H2'' 2.370 2.290 2.450 2.339 2.339 2.339 . 0 0 "[ ]" 1
255 2 3 DA H1' 2 3 DA H3' 4.230 3.280 5.180 3.850 3.850 3.850 . 0 0 "[ ]" 1
256 2 3 DA H1' 2 3 DA H4' 3.070 2.980 3.160 3.454 3.454 3.454 0.294 1 0 "[ ]" 1
257 2 3 DA H1' 2 3 DA H5' 4.660 4.510 4.820 4.641 4.641 4.641 . 0 0 "[ ]" 1
258 2 3 DA H1' 2 3 DA H8 4.420 3.700 5.140 3.838 3.838 3.838 . 0 0 "[ ]" 1
259 2 3 DA H1' 2 4 DA H1' 4.320 4.060 4.580 4.771 4.771 4.771 0.191 1 0 "[ ]" 1
260 2 3 DA H1' 2 4 DA H8 3.500 3.340 3.660 3.112 3.112 3.112 0.228 1 0 "[ ]" 1
261 2 3 DA H2' 2 3 DA H2'' 1.950 . 2.080 1.782 1.782 1.782 0.038 1 0 "[ ]" 1
262 2 3 DA H2' 2 3 DA H3' 2.620 2.540 2.700 2.323 2.323 2.323 0.217 1 0 "[ ]" 1
263 2 3 DA H2' 2 3 DA H5' 3.750 3.260 4.240 3.901 3.901 3.901 . 0 0 "[ ]" 1
264 2 3 DA H2' 2 3 DA H5'' 3.500 2.740 4.260 3.593 3.593 3.593 . 0 0 "[ ]" 1
265 2 3 DA H2' 2 3 DA H8 2.410 2.360 2.460 2.080 2.080 2.080 0.280 1 0 "[ ]" 1
266 2 3 DA H2' 2 4 DA H8 3.920 3.490 4.350 4.126 4.126 4.126 . 0 0 "[ ]" 1
267 2 3 DA H2'' 2 3 DA H3' 2.450 2.370 2.530 2.669 2.669 2.669 0.139 1 0 "[ ]" 1
268 2 3 DA H2'' 2 3 DA H8 3.600 3.430 3.770 3.368 3.368 3.368 0.062 1 0 "[ ]" 1
269 2 3 DA H2'' 2 4 DA H8 2.890 2.810 2.970 2.675 2.675 2.675 0.135 1 0 "[ ]" 1
270 2 3 DA H4' 2 3 DA H8 4.980 4.470 5.490 5.250 5.250 5.250 . 0 0 "[ ]" 1
271 2 3 DA H5' 2 3 DA H8 4.380 4.380 4.380 4.559 4.559 4.559 0.179 1 0 "[ ]" 1
272 2 3 DA H8 2 4 DA H8 4.200 3.770 4.630 4.741 4.741 4.741 0.111 1 0 "[ ]" 1
273 2 4 DA H1' 2 4 DA H2' 3.060 2.550 3.570 2.992 2.992 2.992 . 0 0 "[ ]" 1
274 2 4 DA H1' 2 4 DA H2'' 2.310 2.210 2.410 2.242 2.242 2.242 . 0 0 "[ ]" 1
275 2 4 DA H1' 2 4 DA H3' 3.790 3.220 4.360 3.847 3.847 3.847 . 0 0 "[ ]" 1
276 2 4 DA H1' 2 4 DA H4' 3.200 3.100 3.300 3.427 3.427 3.427 0.127 1 0 "[ ]" 1
277 2 4 DA H1' 2 4 DA H5' 4.610 4.320 4.900 4.596 4.596 4.596 . 0 0 "[ ]" 1
278 2 4 DA H1' 2 4 DA H5'' 4.910 4.620 5.200 4.991 4.991 4.991 . 0 0 "[ ]" 1
279 2 4 DA H1' 2 4 DA H8 3.810 3.410 4.210 3.820 3.820 3.820 . 0 0 "[ ]" 1
280 2 4 DA H1' 2 5 DT H5' 2.940 2.820 3.060 2.741 2.741 2.741 0.079 1 0 "[ ]" 1
281 2 4 DA H1' 2 5 DT H6 3.770 3.520 4.020 3.377 3.377 3.377 0.143 1 0 "[ ]" 1
282 2 4 DA H2' 2 4 DA H2'' 2.170 . 2.380 1.747 1.747 1.747 0.213 1 0 "[ ]" 1
283 2 4 DA H2' 2 4 DA H4' 4.000 3.120 4.880 3.904 3.904 3.904 . 0 0 "[ ]" 1
284 2 4 DA H2' 2 4 DA H5' 4.450 4.250 4.650 4.038 4.038 4.038 0.212 1 0 "[ ]" 1
285 2 4 DA H2' 2 4 DA H8 2.390 2.220 2.560 2.109 2.109 2.109 0.111 1 0 "[ ]" 1
286 2 4 DA H2' 2 5 DT H6 3.320 3.090 3.540 3.989 3.989 3.989 0.449 1 0 "[ ]" 1
287 2 4 DA H2'' 2 4 DA H4' 3.420 3.240 3.600 3.947 3.947 3.947 0.347 1 0 "[ ]" 1
288 2 4 DA H2'' 2 4 DA H5' 5.110 4.860 5.360 5.023 5.023 5.023 . 0 0 "[ ]" 1
289 2 4 DA H2'' 2 4 DA H8 3.120 2.970 3.270 3.528 3.528 3.528 0.258 1 0 "[ ]" 1
290 2 4 DA H2'' 2 5 DT H6 2.940 2.800 3.080 2.414 2.414 2.414 0.386 1 0 "[ ]" 1
291 2 4 DA H3' 2 4 DA H4' 3.430 3.100 3.760 2.792 2.792 2.792 0.308 1 0 "[ ]" 1
292 2 4 DA H3' 2 4 DA H5'' 2.600 2.470 2.730 2.517 2.517 2.517 . 0 0 "[ ]" 1
293 2 4 DA H3' 2 4 DA H8 4.530 3.690 5.370 4.132 4.132 4.132 . 0 0 "[ ]" 1
294 2 4 DA H3' 2 5 DT H6 4.800 4.050 5.550 4.856 4.856 4.856 . 0 0 "[ ]" 1
295 2 4 DA H4' 2 4 DA H5' 2.390 2.360 2.420 2.521 2.521 2.521 0.101 1 0 "[ ]" 1
296 2 4 DA H4' 2 4 DA H8 5.140 4.300 5.980 5.038 5.038 5.038 . 0 0 "[ ]" 1
297 2 4 DA H4' 2 5 DT H6 6.020 5.580 6.460 5.917 5.917 5.917 . 0 0 "[ ]" 1
298 2 4 DA H5' 2 4 DA H8 3.930 3.780 4.080 4.211 4.211 4.211 0.131 1 0 "[ ]" 1
299 2 4 DA H8 2 5 DT H6 4.940 4.320 5.560 5.349 5.349 5.349 . 0 0 "[ ]" 1
300 2 5 DT H1' 2 5 DT H2' 3.090 2.890 3.290 3.001 3.001 3.001 . 0 0 "[ ]" 1
301 2 5 DT H1' 2 5 DT H2'' 2.420 2.340 2.500 2.267 2.267 2.267 0.073 1 0 "[ ]" 1
302 2 5 DT H1' 2 5 DT H3' 4.200 3.740 4.660 3.930 3.930 3.930 . 0 0 "[ ]" 1
303 2 5 DT H1' 2 5 DT H4' 4.360 3.640 5.080 3.567 3.567 3.567 0.073 1 0 "[ ]" 1
304 2 5 DT H1' 2 5 DT H5' 4.330 4.100 4.560 4.693 4.693 4.693 0.133 1 0 "[ ]" 1
305 2 5 DT H1' 2 5 DT H6 4.040 3.620 4.460 3.808 3.808 3.808 . 0 0 "[ ]" 1
306 2 5 DT H1' 2 6 DC H2' 4.420 4.240 4.600 4.514 4.514 4.514 . 0 0 "[ ]" 1
307 2 5 DT H1' 2 6 DC H5 4.900 4.440 5.360 4.611 4.611 4.611 . 0 0 "[ ]" 1
308 2 5 DT H1' 2 6 DC H5' 3.100 2.930 3.270 2.825 2.825 2.825 0.105 1 0 "[ ]" 1
309 2 5 DT H1' 2 6 DC H5'' 3.670 3.240 4.100 4.197 4.197 4.197 0.097 1 0 "[ ]" 1
310 2 5 DT H1' 2 6 DC H6 3.520 3.180 3.860 3.962 3.962 3.962 0.102 1 0 "[ ]" 1
311 2 5 DT H2' 2 5 DT H2'' 2.070 . 2.270 1.805 1.805 1.805 0.065 1 0 "[ ]" 1
312 2 5 DT H2' 2 5 DT H3' 2.640 2.510 2.770 2.375 2.375 2.375 0.135 1 0 "[ ]" 1
313 2 5 DT H2' 2 5 DT H5'' 4.000 3.690 4.310 3.676 3.676 3.676 0.014 1 0 "[ ]" 1
314 2 5 DT H2' 2 5 DT H6 2.800 2.670 2.930 2.368 2.368 2.368 0.302 1 0 "[ ]" 1
315 2 5 DT H2' 2 6 DC H5 3.230 2.980 3.490 3.193 3.193 3.193 . 0 0 "[ ]" 1
316 2 5 DT H2' 2 6 DC H6 3.170 3.070 3.270 3.304 3.304 3.304 0.034 1 0 "[ ]" 1
317 2 5 DT H2'' 2 5 DT H3' 3.210 3.100 3.320 2.759 2.759 2.759 0.341 1 0 "[ ]" 1
318 2 5 DT H2'' 2 5 DT H6 4.190 4.150 4.230 3.884 3.884 3.884 0.266 1 0 "[ ]" 1
319 2 5 DT H2'' 2 6 DC H5 3.450 3.200 3.700 3.620 3.620 3.620 . 0 0 "[ ]" 1
320 2 5 DT H2'' 2 6 DC H6 2.880 2.760 3.000 2.447 2.447 2.447 0.313 1 0 "[ ]" 1
321 2 5 DT H3' 2 5 DT H5' 3.550 3.410 3.690 3.612 3.612 3.612 . 0 0 "[ ]" 1
322 2 5 DT H3' 2 5 DT H5'' 3.140 2.280 4.000 2.405 2.405 2.405 . 0 0 "[ ]" 1
323 2 5 DT H3' 2 5 DT H6 3.890 3.250 4.530 4.051 4.051 4.051 . 0 0 "[ ]" 1
324 2 5 DT H3' 2 6 DC H6 4.360 3.790 4.930 4.886 4.886 4.886 . 0 0 "[ ]" 1
325 2 5 DT H4' 2 5 DT H6 4.290 3.810 4.780 4.524 4.524 4.524 . 0 0 "[ ]" 1
326 2 5 DT H5' 2 5 DT H6 3.400 3.070 3.730 3.527 3.527 3.527 . 0 0 "[ ]" 1
327 2 5 DT H6 2 6 DC H5 4.090 3.860 4.320 3.799 3.799 3.799 0.061 1 0 "[ ]" 1
328 2 5 DT H6 2 6 DC H6 4.480 4.010 4.950 5.024 5.024 5.024 0.074 1 0 "[ ]" 1
329 2 6 DC H1' 2 6 DC H2' 2.580 2.340 2.820 2.989 2.989 2.989 0.169 1 0 "[ ]" 1
330 2 6 DC H1' 2 6 DC H2'' 2.380 2.270 2.490 2.281 2.281 2.281 . 0 0 "[ ]" 1
331 2 6 DC H1' 2 6 DC H3' 3.910 3.710 4.110 3.840 3.840 3.840 . 0 0 "[ ]" 1
332 2 6 DC H1' 2 6 DC H6 4.130 3.650 4.610 3.611 3.611 3.611 0.039 1 0 "[ ]" 1
333 2 6 DC H1' 2 7 DA H5' 2.650 2.650 2.650 3.066 3.066 3.066 0.416 1 0 "[ ]" 1
334 2 6 DC H1' 2 7 DA H5'' 5.020 4.830 5.210 4.670 4.670 4.670 0.160 1 0 "[ ]" 1
335 2 6 DC H2' 2 6 DC H2'' 2.020 . 2.210 1.778 1.778 1.778 0.052 1 0 "[ ]" 1
336 2 6 DC H2' 2 6 DC H5 3.760 3.290 4.230 4.169 4.169 4.169 . 0 0 "[ ]" 1
337 2 6 DC H2' 2 6 DC H5' 4.280 4.140 4.420 3.928 3.928 3.928 0.212 1 0 "[ ]" 1
338 2 6 DC H2' 2 6 DC H5'' 4.230 4.040 4.420 3.891 3.891 3.891 0.149 1 0 "[ ]" 1
339 2 6 DC H2'' 2 6 DC H5 5.170 5.010 5.330 5.161 5.161 5.161 . 0 0 "[ ]" 1
340 2 6 DC H2'' 2 6 DC H5'' 5.000 4.820 5.190 4.885 4.885 4.885 . 0 0 "[ ]" 1
341 2 6 DC H3' 2 6 DC H6 4.090 3.560 4.620 4.030 4.030 4.030 . 0 0 "[ ]" 1
342 2 6 DC H4' 2 6 DC H6 5.340 5.010 5.670 5.126 5.126 5.126 . 0 0 "[ ]" 1
343 2 6 DC H5'' 2 6 DC H6 4.960 4.650 5.270 4.988 4.988 4.988 . 0 0 "[ ]" 1
344 2 7 DA H1' 2 7 DA H2' 2.930 2.450 3.410 2.985 2.985 2.985 . 0 0 "[ ]" 1
345 2 7 DA H1' 2 7 DA H2'' 1.990 . 2.100 2.292 2.292 2.292 0.192 1 0 "[ ]" 1
346 2 7 DA H1' 2 7 DA H3' 4.130 3.420 4.840 3.825 3.825 3.825 . 0 0 "[ ]" 1
347 2 7 DA H1' 2 7 DA H4' 3.130 3.030 3.230 3.471 3.471 3.471 0.241 1 0 "[ ]" 1
348 2 7 DA H1' 2 7 DA H5' 4.250 3.650 4.850 4.697 4.697 4.697 . 0 0 "[ ]" 1
349 2 7 DA H1' 2 7 DA H8 3.710 3.300 4.120 3.857 3.857 3.857 . 0 0 "[ ]" 1
350 2 7 DA H1' 2 8 DT H6 3.340 3.090 3.590 3.066 3.066 3.066 0.024 1 0 "[ ]" 1
351 2 7 DA H2' 2 7 DA H3' 2.270 2.120 2.420 2.307 2.307 2.307 . 0 0 "[ ]" 1
352 2 7 DA H2' 2 7 DA H4' 4.060 3.310 4.820 3.826 3.826 3.826 . 0 0 "[ ]" 1
353 2 7 DA H2' 2 7 DA H5' 3.850 3.360 4.290 3.929 3.929 3.929 . 0 0 "[ ]" 1
354 2 7 DA H2' 2 7 DA H5'' 3.360 2.430 4.290 3.570 3.570 3.570 . 0 0 "[ ]" 1
355 2 7 DA H2' 2 7 DA H8 2.380 2.130 2.630 2.146 2.146 2.146 . 0 0 "[ ]" 1
356 2 7 DA H2' 2 8 DT H6 3.900 3.820 3.980 4.193 4.193 4.193 0.213 1 0 "[ ]" 1
357 2 7 DA H2'' 2 7 DA H3' 2.330 2.250 2.410 2.627 2.627 2.627 0.217 1 0 "[ ]" 1
358 2 7 DA H2'' 2 7 DA H5'' 3.370 2.240 4.500 4.589 4.589 4.589 0.089 1 0 "[ ]" 1
359 2 7 DA H2'' 2 7 DA H8 3.430 3.250 3.610 3.593 3.593 3.593 . 0 0 "[ ]" 1
360 2 7 DA H2'' 2 8 DT H2' 3.330 2.710 3.950 4.027 4.027 4.027 0.077 1 0 "[ ]" 1
361 2 7 DA H2'' 2 8 DT H6 3.310 3.050 3.570 2.696 2.696 2.696 0.354 1 0 "[ ]" 1
362 2 7 DA H3' 2 7 DA H4' 2.730 2.650 2.810 2.727 2.727 2.727 . 0 0 "[ ]" 1
363 2 7 DA H3' 2 7 DA H5' 3.130 2.680 3.580 3.583 3.583 3.583 0.003 1 0 "[ ]" 1
364 2 7 DA H3' 2 7 DA H8 4.350 3.890 4.810 4.193 4.193 4.193 . 0 0 "[ ]" 1
365 2 7 DA H3' 2 8 DT H6 5.770 3.210 8.330 5.246 5.246 5.246 . 0 0 "[ ]" 1
366 2 7 DA H4' 2 7 DA H5' 2.700 2.670 2.730 2.526 2.526 2.526 0.144 1 0 "[ ]" 1
367 2 7 DA H4' 2 7 DA H5'' 2.680 2.600 2.760 2.500 2.500 2.500 0.100 1 0 "[ ]" 1
368 2 7 DA H4' 2 7 DA H8 5.900 4.540 7.260 4.956 4.956 4.956 . 0 0 "[ ]" 1
369 2 7 DA H5' 2 7 DA H8 3.170 2.650 3.690 4.077 4.077 4.077 0.387 1 0 "[ ]" 1
370 2 7 DA H5'' 2 7 DA H8 3.820 3.030 4.610 4.465 4.465 4.465 . 0 0 "[ ]" 1
371 2 7 DA H8 2 8 DT H6 5.020 4.230 5.810 5.312 5.312 5.312 . 0 0 "[ ]" 1
372 2 8 DT H1' 2 8 DT H2' 3.350 2.680 4.020 3.025 3.025 3.025 . 0 0 "[ ]" 1
373 2 8 DT H1' 2 8 DT H2'' 2.640 2.600 2.680 2.349 2.349 2.349 0.251 1 0 "[ ]" 1
374 2 8 DT H1' 2 8 DT H4' 3.020 2.940 3.100 3.388 3.388 3.388 0.288 1 0 "[ ]" 1
375 2 8 DT H1' 2 8 DT H5'' 3.950 3.430 4.470 4.922 4.922 4.922 0.452 1 0 "[ ]" 1
376 2 8 DT H1' 2 8 DT H6 3.920 3.690 4.150 3.752 3.752 3.752 . 0 0 "[ ]" 1
377 2 8 DT H1' 2 9 DA H1' 5.520 5.310 5.730 5.297 5.297 5.297 0.013 1 0 "[ ]" 1
378 2 8 DT H1' 2 9 DA H5' 3.160 2.820 3.500 3.199 3.199 3.199 . 0 0 "[ ]" 1
379 2 8 DT H1' 2 9 DA H8 3.690 3.520 3.860 4.003 4.003 4.003 0.143 1 0 "[ ]" 1
380 2 8 DT H2' 2 8 DT H2'' 2.100 . 2.280 1.806 1.806 1.806 0.114 1 0 "[ ]" 1
381 2 8 DT H2' 2 8 DT H3' 2.710 2.520 2.910 2.382 2.382 2.382 0.138 1 0 "[ ]" 1
382 2 8 DT H2' 2 8 DT H5' 4.110 3.850 4.370 3.822 3.822 3.822 0.028 1 0 "[ ]" 1
383 2 8 DT H2' 2 8 DT H6 2.530 2.380 2.680 2.116 2.116 2.116 0.264 1 0 "[ ]" 1
384 2 8 DT H2'' 2 8 DT H3' 3.900 3.090 4.710 2.753 2.753 2.753 0.337 1 0 "[ ]" 1
385 2 8 DT H2'' 2 8 DT H5' 5.000 4.750 5.250 5.033 5.033 5.033 . 0 0 "[ ]" 1
386 2 8 DT H2'' 2 8 DT H6 3.070 2.580 3.560 3.572 3.572 3.572 0.012 1 0 "[ ]" 1
387 2 8 DT H2'' 2 9 DA H8 . 3.310 3.310 3.232 3.232 3.232 0.078 1 0 "[ ]" 1
388 2 8 DT H3' 2 8 DT H5' 3.040 2.930 3.150 3.542 3.542 3.542 0.392 1 0 "[ ]" 1
389 2 8 DT H3' 2 8 DT H5'' 2.940 2.600 3.280 2.409 2.409 2.409 0.191 1 0 "[ ]" 1
390 2 8 DT H3' 2 8 DT H6 4.210 3.670 4.750 4.172 4.172 4.172 . 0 0 "[ ]" 1
391 2 8 DT H4' 2 8 DT H6 4.780 4.630 4.930 4.742 4.742 4.742 . 0 0 "[ ]" 1
392 2 8 DT H5' 2 8 DT H6 4.080 3.490 4.670 3.743 3.743 3.743 . 0 0 "[ ]" 1
393 2 8 DT H5'' 2 8 DT H6 4.090 3.220 4.960 4.380 4.380 4.380 . 0 0 "[ ]" 1
394 2 9 DA H1' 2 9 DA H2' 2.700 2.480 2.920 3.007 3.007 3.007 0.087 1 0 "[ ]" 1
395 2 9 DA H1' 2 9 DA H3' 3.900 3.470 4.330 3.821 3.821 3.821 . 0 0 "[ ]" 1
396 2 9 DA H1' 2 9 DA H4' 3.040 2.970 3.110 3.431 3.431 3.431 0.321 1 0 "[ ]" 1
397 2 9 DA H1' 2 9 DA H5' 4.710 4.380 5.040 4.649 4.649 4.649 . 0 0 "[ ]" 1
398 2 9 DA H1' 2 9 DA H5'' 4.730 4.480 4.990 4.944 4.944 4.944 . 0 0 "[ ]" 1
399 2 9 DA H1' 2 9 DA H8 3.920 3.730 4.110 3.796 3.796 3.796 . 0 0 "[ ]" 1
400 2 9 DA H1' 2 10 DG H8 3.950 3.600 4.400 3.505 3.505 3.505 0.095 1 0 "[ ]" 1
401 2 9 DA H2' 2 9 DA H2'' 1.820 . 2.030 1.789 1.789 1.789 . 0 0 "[ ]" 1
402 2 9 DA H2' 2 9 DA H4' 3.980 3.050 4.910 3.766 3.766 3.766 . 0 0 "[ ]" 1
403 2 9 DA H2' 2 9 DA H5'' 3.840 3.310 4.370 3.491 3.491 3.491 . 0 0 "[ ]" 1
404 2 9 DA H2' 2 9 DA H8 2.330 2.230 2.430 2.037 2.037 2.037 0.193 1 0 "[ ]" 1
405 2 9 DA H2' 2 10 DG H8 4.590 4.370 4.810 4.138 4.138 4.138 0.232 1 0 "[ ]" 1
406 2 9 DA H2'' 2 9 DA H4' 3.480 3.100 3.860 4.023 4.023 4.023 0.163 1 0 "[ ]" 1
407 2 9 DA H2'' 2 9 DA H5'' 4.900 4.390 5.410 4.594 4.594 4.594 . 0 0 "[ ]" 1
408 2 9 DA H2'' 2 9 DA H8 3.130 2.900 3.360 3.311 3.311 3.311 . 0 0 "[ ]" 1
409 2 9 DA H3' 2 9 DA H4' 2.510 2.450 2.570 2.690 2.690 2.690 0.120 1 0 "[ ]" 1
410 2 9 DA H3' 2 9 DA H5' 3.570 3.400 3.740 3.563 3.563 3.563 . 0 0 "[ ]" 1
411 2 9 DA H3' 2 9 DA H5'' 2.440 2.320 2.560 2.355 2.355 2.355 . 0 0 "[ ]" 1
412 2 9 DA H3' 2 9 DA H8 4.270 3.900 4.640 4.257 4.257 4.257 . 0 0 "[ ]" 1
413 2 9 DA H4' 2 9 DA H5' 2.380 2.240 2.520 2.493 2.493 2.493 . 0 0 "[ ]" 1
414 2 9 DA H4' 2 9 DA H8 5.010 4.810 5.210 5.165 5.165 5.165 . 0 0 "[ ]" 1
415 2 9 DA H4' 2 10 DG H8 7.160 5.430 8.890 6.383 6.383 6.383 . 0 0 "[ ]" 1
416 2 9 DA H5'' 2 9 DA H8 5.110 4.810 5.410 4.750 4.750 4.750 0.060 1 0 "[ ]" 1
417 2 9 DA H8 2 10 DG H8 4.230 4.020 4.440 4.716 4.716 4.716 0.276 1 0 "[ ]" 1
418 2 10 DG H1' 2 10 DG H2' 2.340 2.220 2.460 2.947 2.947 2.947 0.487 1 0 "[ ]" 1
419 2 10 DG H1' 2 10 DG H2'' 2.770 2.450 3.090 2.302 2.302 2.302 0.148 1 0 "[ ]" 1
420 2 10 DG H1' 2 10 DG H3' 4.030 3.650 4.410 3.828 3.828 3.828 . 0 0 "[ ]" 1
421 2 10 DG H1' 2 10 DG H4' 3.070 2.910 3.230 3.477 3.477 3.477 0.247 1 0 "[ ]" 1
422 2 10 DG H1' 2 10 DG H5' 4.550 4.350 4.750 4.550 4.550 4.550 . 0 0 "[ ]" 1
423 2 10 DG H1' 2 10 DG H5'' 4.950 4.750 5.150 5.005 5.005 5.005 . 0 0 "[ ]" 1
424 2 10 DG H1' 2 10 DG H8 3.840 3.400 4.280 3.792 3.792 3.792 . 0 0 "[ ]" 1
425 2 10 DG H2' 2 10 DG H2'' 1.870 . 2.040 1.767 1.767 1.767 . 0 0 "[ ]" 1
426 2 10 DG H2' 2 10 DG H3' 2.660 2.410 2.810 2.332 2.332 2.332 0.078 1 0 "[ ]" 1
427 2 10 DG H2' 2 10 DG H5' 4.110 3.850 4.370 3.802 3.802 3.802 0.048 1 0 "[ ]" 1
428 2 10 DG H2' 2 10 DG H8 2.350 2.200 2.500 2.041 2.041 2.041 0.159 1 0 "[ ]" 1
429 2 10 DG H2'' 2 10 DG H3' 2.460 2.260 2.560 2.670 2.670 2.670 0.110 1 0 "[ ]" 1
430 2 10 DG H2'' 2 10 DG H5' 5.000 4.750 5.250 4.993 4.993 4.993 . 0 0 "[ ]" 1
431 2 10 DG H2'' 2 10 DG H8 3.150 3.000 3.300 3.370 3.370 3.370 0.070 1 0 "[ ]" 1
432 2 10 DG H3' 2 10 DG H4' 2.890 2.680 3.100 2.720 2.720 2.720 . 0 0 "[ ]" 1
433 2 10 DG H3' 2 10 DG H5' 3.410 3.210 3.610 3.621 3.621 3.621 0.011 1 0 "[ ]" 1
434 2 10 DG H3' 2 10 DG H5'' 2.700 2.390 3.000 2.578 2.578 2.578 . 0 0 "[ ]" 1
435 2 10 DG H3' 2 10 DG H8 4.250 3.840 4.660 4.264 4.264 4.264 . 0 0 "[ ]" 1
436 2 10 DG H4' 2 10 DG H8 4.750 3.940 5.560 5.184 5.184 5.184 . 0 0 "[ ]" 1
437 2 10 DG H5' 2 10 DG H8 3.950 3.670 4.230 4.306 4.306 4.306 0.076 1 0 "[ ]" 1
438 2 10 DG H5'' 2 10 DG H8 4.530 4.250 4.810 4.876 4.876 4.876 0.066 1 0 "[ ]" 1
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