NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
570389 |
2lun   |
18532 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lun
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 63
_Distance_constraint_stats_list.Viol_count 77
_Distance_constraint_stats_list.Viol_total 17.633
_Distance_constraint_stats_list.Viol_max 0.076
_Distance_constraint_stats_list.Viol_rms 0.0136
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0044
_Distance_constraint_stats_list.Viol_average_violations_only 0.0286
_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 G 0.027 0.008 1 0 "[ . ]"
1 2 G 0.094 0.021 1 0 "[ . ]"
1 3 G 0.021 0.009 7 0 "[ . ]"
1 4 C 0.065 0.031 8 0 "[ . ]"
1 6 G 0.000 0.000 . 0 "[ . ]"
1 7 U 0.065 0.019 4 0 "[ . ]"
1 8 G 0.109 0.032 1 0 "[ . ]"
1 9 A 0.871 0.076 4 0 "[ . ]"
1 10 U 0.068 0.032 8 0 "[ . ]"
1 11 G 0.435 0.069 7 0 "[ . ]"
1 12 C 0.449 0.069 7 0 "[ . ]"
1 17 G 0.449 0.069 7 0 "[ . ]"
1 18 C 0.435 0.069 7 0 "[ . ]"
1 19 A 0.068 0.032 8 0 "[ . ]"
1 20 U 0.871 0.076 4 0 "[ . ]"
1 21 A 0.109 0.032 1 0 "[ . ]"
1 22 U 0.065 0.019 4 0 "[ . ]"
1 23 C 0.000 0.000 . 0 "[ . ]"
1 25 G 0.065 0.031 8 0 "[ . ]"
1 26 C 0.021 0.009 7 0 "[ . ]"
1 27 C 0.094 0.021 1 0 "[ . ]"
1 28 C 0.027 0.008 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 G O6 1 28 C H41 2.000 . 2.400 2.399 2.382 2.408 0.008 1 0 "[ . ]" 1
2 1 1 G O6 1 28 C N4 2.900 2.600 3.500 3.248 3.151 3.298 . 0 0 "[ . ]" 1
3 1 1 G H1 1 28 C N3 2.000 . 2.400 2.353 2.223 2.397 . 0 0 "[ . ]" 1
4 1 1 G N1 1 28 C N3 2.900 2.600 3.500 3.331 3.213 3.373 . 0 0 "[ . ]" 1
5 1 1 G H21 1 28 C O2 2.000 . 2.400 2.333 2.104 2.401 0.001 3 0 "[ . ]" 1
6 1 1 G N2 1 28 C O2 2.900 2.600 3.500 3.322 3.107 3.401 . 0 0 "[ . ]" 1
7 1 2 G O6 1 27 C H41 2.000 . 2.400 2.194 1.824 2.416 0.016 8 0 "[ . ]" 1
8 1 2 G O6 1 27 C N4 2.900 2.600 3.500 3.086 2.736 3.332 . 0 0 "[ . ]" 1
9 1 2 G H1 1 27 C N3 2.000 . 2.400 2.298 2.157 2.403 0.003 3 0 "[ . ]" 1
10 1 2 G N1 1 27 C N3 2.900 2.600 3.500 3.201 3.071 3.294 . 0 0 "[ . ]" 1
11 1 2 G H21 1 27 C O2 2.000 . 2.400 2.343 1.989 2.421 0.021 1 0 "[ . ]" 1
12 1 2 G N2 1 27 C O2 2.900 2.600 3.500 3.266 2.957 3.348 . 0 0 "[ . ]" 1
13 1 3 G O6 1 26 C H41 2.000 . 2.400 2.157 1.791 2.387 0.009 8 0 "[ . ]" 1
14 1 3 G O6 1 26 C N4 2.900 2.600 3.500 3.103 2.696 3.322 . 0 0 "[ . ]" 1
15 1 3 G H1 1 26 C N3 2.000 . 2.400 2.114 2.029 2.158 . 0 0 "[ . ]" 1
16 1 3 G N1 1 26 C N3 2.900 2.600 3.500 3.095 3.027 3.135 . 0 0 "[ . ]" 1
17 1 3 G H21 1 26 C O2 2.000 . 2.400 2.023 1.803 2.409 0.009 7 0 "[ . ]" 1
18 1 3 G N2 1 26 C O2 2.900 2.600 3.500 3.002 2.798 3.393 . 0 0 "[ . ]" 1
19 1 4 C H41 1 25 G O6 2.000 . 2.400 1.971 1.787 2.189 0.013 4 0 "[ . ]" 1
20 1 4 C N4 1 25 G O6 2.900 2.600 3.500 2.817 2.599 3.141 0.001 6 0 "[ . ]" 1
21 1 4 C N3 1 25 G H1 2.000 . 2.400 2.062 1.926 2.241 . 0 0 "[ . ]" 1
22 1 4 C N3 1 25 G N1 2.900 2.600 3.500 3.020 2.934 3.159 . 0 0 "[ . ]" 1
23 1 4 C O2 1 25 G H21 2.000 . 2.400 2.164 1.769 2.408 0.031 8 0 "[ . ]" 1
24 1 4 C O2 1 25 G N2 2.900 2.600 3.500 3.131 2.741 3.381 . 0 0 "[ . ]" 1
25 1 6 G O6 1 23 C H41 2.500 . 2.700 2.168 1.915 2.688 . 0 0 "[ . ]" 1
26 1 6 G O6 1 23 C N4 3.300 . 3.700 2.976 2.705 3.411 . 0 0 "[ . ]" 1
27 1 6 G H1 1 23 C N3 2.500 . 2.700 2.215 2.095 2.541 . 0 0 "[ . ]" 1
28 1 6 G N1 1 23 C N3 3.300 . 3.700 3.178 3.091 3.420 . 0 0 "[ . ]" 1
29 1 6 G H21 1 23 C O2 2.400 . 2.600 2.345 2.058 2.598 . 0 0 "[ . ]" 1
30 1 6 G N2 1 23 C O2 3.300 . 3.700 3.280 2.929 3.574 . 0 0 "[ . ]" 1
31 1 7 U O2 1 22 U H3 2.400 . 2.600 2.396 2.168 2.482 . 0 0 "[ . ]" 1
32 1 7 U O2 1 22 U N3 3.400 . 3.800 3.398 3.175 3.486 . 0 0 "[ . ]" 1
33 1 7 U H3 1 22 U O4 2.400 . 2.600 2.279 2.140 2.419 . 0 0 "[ . ]" 1
34 1 7 U N3 1 22 U O4 3.400 . 3.800 3.276 3.146 3.407 . 0 0 "[ . ]" 1
35 1 7 U N3 1 22 U C4 3.700 2.200 4.100 4.005 3.885 4.092 . 0 0 "[ . ]" 1
36 1 7 U N3 1 22 U N3 3.800 2.300 4.200 3.875 3.780 3.948 . 0 0 "[ . ]" 1
37 1 7 U C2 1 22 U N3 3.900 2.400 4.300 4.063 3.888 4.149 . 0 0 "[ . ]" 1
38 1 7 U O2 1 22 U C4 3.900 2.400 4.300 4.264 4.064 4.319 0.019 4 0 "[ . ]" 1
39 1 7 U O2 1 22 U C2 3.900 2.400 4.300 4.149 3.925 4.264 . 0 0 "[ . ]" 1
40 1 8 G N3 1 21 A H61 3.100 2.900 3.600 3.505 3.251 3.632 0.032 1 0 "[ . ]" 1
41 1 8 G N3 1 21 A N6 3.500 3.200 4.000 3.512 3.187 3.683 0.013 2 0 "[ . ]" 1
42 1 8 G H21 1 21 A N7 3.100 2.900 3.600 3.448 3.094 3.591 . 0 0 "[ . ]" 1
43 1 8 G N2 1 21 A N7 3.500 3.200 4.000 3.448 3.188 3.636 0.012 1 0 "[ . ]" 1
44 1 9 A H61 1 20 U O4 3.000 2.600 3.200 2.759 2.746 2.773 . 0 0 "[ . ]" 1
45 1 9 A N6 1 20 U O4 3.500 2.900 3.700 3.748 3.730 3.767 0.067 4 0 "[ . ]" 1
46 1 9 A N1 1 20 U H3 3.000 2.600 3.200 2.539 2.524 2.559 0.076 4 0 "[ . ]" 1
47 1 9 A N1 1 20 U N3 3.500 2.900 3.700 3.122 3.068 3.167 . 0 0 "[ . ]" 1
48 1 10 U O4 1 19 A H61 2.000 . 2.400 1.986 1.794 2.266 0.006 2 0 "[ . ]" 1
49 1 10 U O4 1 19 A N6 2.900 2.600 3.500 2.976 2.757 3.212 . 0 0 "[ . ]" 1
50 1 10 U H3 1 19 A N1 2.000 . 2.400 1.870 1.768 2.132 0.032 8 0 "[ . ]" 1
51 1 10 U N3 1 19 A N1 2.900 2.600 3.500 2.787 2.689 2.974 . 0 0 "[ . ]" 1
52 1 11 G O6 1 18 C H41 2.000 . 2.400 2.452 2.440 2.469 0.069 7 0 "[ . ]" 1
53 1 11 G O6 1 18 C N4 2.900 2.600 3.500 3.373 3.346 3.422 . 0 0 "[ . ]" 1
54 1 11 G H1 1 18 C N3 2.000 . 2.400 2.209 2.069 2.300 . 0 0 "[ . ]" 1
55 1 11 G N1 1 18 C N3 2.900 2.600 3.500 3.165 3.063 3.230 . 0 0 "[ . ]" 1
56 1 11 G H21 1 18 C O2 2.000 . 2.400 2.046 1.784 2.210 0.016 7 0 "[ . ]" 1
57 1 11 G N2 1 18 C O2 2.900 2.600 3.500 2.962 2.718 3.111 . 0 0 "[ . ]" 1
58 1 12 C H41 1 17 G O6 2.000 . 2.400 2.016 1.783 2.287 0.017 6 0 "[ . ]" 1
59 1 12 C N4 1 17 G O6 2.900 2.600 3.500 2.794 2.620 2.959 . 0 0 "[ . ]" 1
60 1 12 C N3 1 17 G H1 2.000 . 2.400 2.230 2.117 2.317 . 0 0 "[ . ]" 1
61 1 12 C N3 1 17 G N1 2.900 2.600 3.500 3.129 3.018 3.215 . 0 0 "[ . ]" 1
62 1 12 C O2 1 17 G H21 2.000 . 2.400 2.451 2.439 2.469 0.069 7 0 "[ . ]" 1
63 1 12 C O2 1 17 G N2 2.900 2.600 3.500 3.393 3.372 3.425 . 0 0 "[ . ]" 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 294
_Distance_constraint_stats_list.Viol_count 394
_Distance_constraint_stats_list.Viol_total 1292.509
_Distance_constraint_stats_list.Viol_max 1.809
_Distance_constraint_stats_list.Viol_rms 0.2483
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0687
_Distance_constraint_stats_list.Viol_average_violations_only 0.4101
_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 G 12.037 1.720 2 8 [*+**-***]
1 2 G 17.245 1.538 2 8 [*+**-***]
1 3 G 17.687 1.641 4 8 [***+**-*]
1 4 C 1.879 0.687 7 1 "[ . + ]"
1 5 A 10.490 1.531 6 8 [*****+*-]
1 6 G 2.195 0.395 8 0 "[ . ]"
1 7 U 0.000 0.000 . 0 "[ . ]"
1 8 G 0.049 0.049 8 0 "[ . ]"
1 9 A 0.544 0.071 8 0 "[ . ]"
1 10 U 10.439 1.127 6 8 [***-*+**]
1 11 G 9.105 0.714 8 6 "[* **.**+]"
1 12 C 2.035 0.249 2 0 "[ . ]"
1 13 U 0.180 0.038 7 0 "[ . ]"
1 14 U 12.688 1.246 8 8 [*****-*+]
1 15 C 20.378 1.809 8 8 [*-*****+]
1 16 G 9.178 1.500 2 6 "[*+-** *]"
1 17 G 17.889 1.347 8 8 [***-***+]
1 18 C 12.023 1.090 5 7 "[****+ **]"
1 19 A 6.688 0.689 5 6 "[**- +** ]"
1 20 U 1.833 0.744 4 1 "[ +. ]"
1 21 A 0.599 0.336 5 0 "[ . ]"
1 22 U 3.867 0.548 2 1 "[ + . ]"
1 23 C 6.829 0.725 6 3 "[*- .+ ]"
1 24 A 11.407 1.690 2 8 [*+***-**]
1 25 G 4.110 0.586 2 4 "[ +**.- ]"
1 26 C 4.173 0.586 2 2 "[ + - ]"
1 27 C 4.014 0.599 3 4 "[ +-* *]"
1 28 C 0.106 0.024 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 G H1' 1 1 G H8 5.000 . 5.000 3.847 3.763 3.906 . 0 0 "[ . ]" 2
2 1 1 G H1' 1 2 G H8 5.000 . 5.000 5.033 4.997 5.058 0.058 6 0 "[ . ]" 2
3 1 2 G H1' 1 2 G H8 6.000 . 6.000 3.807 3.747 3.871 . 0 0 "[ . ]" 2
4 1 2 G H1' 1 3 G H8 6.000 . 6.000 5.387 5.160 5.632 . 0 0 "[ . ]" 2
5 1 3 G H1' 1 3 G H8 6.000 . 6.000 3.826 3.784 3.861 . 0 0 "[ . ]" 2
6 1 3 G H1' 1 4 C H6 6.000 . 6.000 5.041 4.915 5.187 . 0 0 "[ . ]" 2
7 1 4 C H1' 1 4 C H6 6.000 . 6.000 3.570 3.558 3.583 . 0 0 "[ . ]" 2
8 1 4 C H1' 1 5 A H8 5.000 . 5.000 3.979 3.861 4.167 . 0 0 "[ . ]" 2
9 1 5 A H1' 1 5 A H8 6.000 . 6.000 3.777 3.752 3.808 . 0 0 "[ . ]" 2
10 1 5 A H1' 1 6 G H8 6.000 . 6.000 5.064 4.947 5.212 . 0 0 "[ . ]" 2
11 1 6 G H1' 1 6 G H8 6.000 . 6.000 3.783 3.756 3.801 . 0 0 "[ . ]" 2
12 1 6 G H1' 1 7 U H6 7.000 . 7.000 5.127 5.057 5.204 . 0 0 "[ . ]" 2
13 1 7 U H1' 1 7 U H6 6.000 . 6.000 3.556 3.550 3.561 . 0 0 "[ . ]" 2
14 1 7 U H1' 1 8 G H8 7.000 . 7.000 6.493 6.381 6.651 . 0 0 "[ . ]" 2
15 1 8 G H1' 1 8 G H8 4.000 . 4.000 3.909 3.908 3.911 . 0 0 "[ . ]" 2
16 1 8 G H1' 1 9 A H8 5.000 . 5.000 2.729 2.625 3.001 . 0 0 "[ . ]" 2
17 1 9 A H1' 1 9 A H8 6.000 . 6.000 3.894 3.861 3.917 . 0 0 "[ . ]" 2
18 1 9 A H1' 1 10 U H6 6.000 . 6.000 4.926 4.544 5.377 . 0 0 "[ . ]" 2
19 1 10 U H1' 1 10 U H6 7.000 . 7.000 3.688 3.683 3.697 . 0 0 "[ . ]" 2
20 1 10 U H1' 1 11 G H8 6.000 . 6.000 5.230 5.098 5.332 . 0 0 "[ . ]" 2
21 1 11 G H1' 1 11 G H8 6.000 . 6.000 3.784 3.746 3.820 . 0 0 "[ . ]" 2
22 1 11 G H1' 1 12 C H6 5.000 . 5.000 5.028 4.913 5.061 0.061 6 0 "[ . ]" 2
23 1 12 C H1' 1 12 C H6 5.000 . 5.000 3.482 3.425 3.510 . 0 0 "[ . ]" 2
24 1 12 C H1' 1 13 U H6 6.000 . 6.000 5.016 4.998 5.045 . 0 0 "[ . ]" 2
25 1 13 U H1' 1 13 U H6 5.000 . 5.000 3.604 3.579 3.618 . 0 0 "[ . ]" 2
26 1 13 U H1' 1 14 U H6 6.000 . 6.000 5.916 5.404 6.030 0.030 8 0 "[ . ]" 2
27 1 13 U H1' 1 15 C H6 6.000 . 6.000 5.733 5.584 6.007 0.007 7 0 "[ . ]" 2
28 1 13 U H1' 1 16 G H8 6.000 . 6.000 4.839 4.439 5.432 . 0 0 "[ . ]" 2
29 1 14 U H1' 1 14 U H6 4.000 . 4.000 3.530 3.396 3.569 . 0 0 "[ . ]" 2
30 1 14 U H1' 1 15 C H6 5.000 . 5.000 4.522 4.511 4.545 . 0 0 "[ . ]" 2
31 1 14 U H1' 1 16 G H8 5.000 . 5.000 4.122 3.717 4.552 . 0 0 "[ . ]" 2
32 1 15 C H1' 1 15 C H6 5.000 . 5.000 3.685 3.675 3.711 . 0 0 "[ . ]" 2
33 1 15 C H1' 1 16 G H8 6.000 . 6.000 4.941 4.675 5.157 . 0 0 "[ . ]" 2
34 1 16 G H1' 1 16 G H8 4.000 . 4.000 2.582 2.569 2.597 . 0 0 "[ . ]" 2
35 1 16 G H1' 1 17 G H8 6.000 . 6.000 6.009 5.995 6.021 0.021 2 0 "[ . ]" 2
36 1 17 G H1' 1 17 G H8 5.000 . 5.000 3.898 3.880 3.908 . 0 0 "[ . ]" 2
37 1 17 G H8 1 18 C H1' 5.000 . 5.000 5.131 5.120 5.140 0.140 7 0 "[ . ]" 2
38 1 18 C H1' 1 18 C H6 5.000 . 5.000 3.563 3.532 3.586 . 0 0 "[ . ]" 2
39 1 18 C H1' 1 19 A H8 5.000 . 5.000 5.055 5.037 5.068 0.068 5 0 "[ . ]" 2
40 1 19 A H1' 1 19 A H8 6.000 . 6.000 3.777 3.752 3.800 . 0 0 "[ . ]" 2
41 1 19 A H1' 1 20 U H6 6.000 . 6.000 5.818 5.586 6.027 0.027 6 0 "[ . ]" 2
42 1 20 U H1' 1 20 U H6 6.000 . 6.000 3.531 3.368 3.678 . 0 0 "[ . ]" 2
43 1 20 U H1' 1 21 A H8 6.000 . 6.000 4.824 4.412 5.318 . 0 0 "[ . ]" 2
44 1 21 A H1' 1 21 A H8 6.000 . 6.000 3.538 3.481 3.611 . 0 0 "[ . ]" 2
45 1 21 A H1' 1 22 U H6 6.000 . 6.000 5.578 5.387 5.918 . 0 0 "[ . ]" 2
46 1 22 U H1' 1 22 U H6 6.000 . 6.000 3.454 3.423 3.521 . 0 0 "[ . ]" 2
47 1 22 U H1' 1 23 C H6 6.000 . 6.000 4.848 4.812 4.925 . 0 0 "[ . ]" 2
48 1 23 C H1' 1 23 C H6 6.000 . 6.000 3.415 3.377 3.507 . 0 0 "[ . ]" 2
49 1 23 C H1' 1 24 A H8 5.000 . 5.000 4.938 4.148 5.056 0.056 1 0 "[ . ]" 2
50 1 24 A H1' 1 24 A H8 5.000 . 5.000 3.826 3.764 3.859 . 0 0 "[ . ]" 2
51 1 24 A H1' 1 25 G H8 7.000 . 7.000 5.404 5.327 5.555 . 0 0 "[ . ]" 2
52 1 25 G H1' 1 25 G H8 6.000 . 6.000 3.808 3.715 3.847 . 0 0 "[ . ]" 2
53 1 25 G H1' 1 26 C H6 7.000 . 7.000 5.039 5.004 5.077 . 0 0 "[ . ]" 2
54 1 26 C H1' 1 26 C H6 5.000 . 5.000 3.541 3.505 3.555 . 0 0 "[ . ]" 2
55 1 27 C H1' 1 27 C H6 5.000 . 5.000 3.560 3.515 3.580 . 0 0 "[ . ]" 2
56 1 28 C H1' 1 28 C H6 6.000 . 6.000 3.557 3.545 3.567 . 0 0 "[ . ]" 2
57 1 4 C H5 1 4 C H6 3.000 . 3.000 2.452 2.452 2.452 . 0 0 "[ . ]" 2
58 1 7 U H5 1 7 U H6 4.000 . 4.000 2.427 2.426 2.428 . 0 0 "[ . ]" 2
59 1 10 U H5 1 10 U H6 3.000 . 3.000 2.427 2.426 2.428 . 0 0 "[ . ]" 2
60 1 12 C H5 1 12 C H6 3.000 . 3.000 2.452 2.451 2.452 . 0 0 "[ . ]" 2
61 1 13 U H5 1 13 U H6 3.000 . 3.000 2.427 2.426 2.428 . 0 0 "[ . ]" 2
62 1 14 U H5 1 14 U H6 3.000 . 3.000 2.427 2.426 2.428 . 0 0 "[ . ]" 2
63 1 15 C H5 1 15 C H6 3.000 . 3.000 2.452 2.451 2.452 . 0 0 "[ . ]" 2
64 1 18 C H5 1 18 C H6 3.000 . 3.000 2.452 2.451 2.452 . 0 0 "[ . ]" 2
65 1 20 U H5 1 20 U H6 3.000 . 3.000 2.427 2.427 2.428 . 0 0 "[ . ]" 2
66 1 22 U H5 1 22 U H6 3.000 . 3.000 2.427 2.427 2.428 . 0 0 "[ . ]" 2
67 1 23 C H5 1 23 C H6 3.000 . 3.000 2.452 2.451 2.453 . 0 0 "[ . ]" 2
68 1 26 C H5 1 26 C H6 3.000 . 3.000 2.452 2.451 2.453 . 0 0 "[ . ]" 2
69 1 27 C H5 1 27 C H6 3.000 . 3.000 2.452 2.451 2.452 . 0 0 "[ . ]" 2
70 1 28 C H5 1 28 C H6 3.000 . 3.000 2.452 2.451 2.452 . 0 0 "[ . ]" 2
71 1 3 G H8 1 4 C H5 7.000 . 7.000 4.769 4.254 5.816 . 0 0 "[ . ]" 2
72 1 6 G H8 1 7 U H5 7.000 . 7.000 4.121 3.789 4.542 . 0 0 "[ . ]" 2
73 1 9 A H8 1 10 U H5 6.000 . 6.000 4.895 4.647 5.249 . 0 0 "[ . ]" 2
74 1 17 G H8 1 18 C H5 7.000 . 7.000 2.985 2.782 3.590 . 0 0 "[ . ]" 2
75 1 19 A H8 1 20 U H5 7.000 . 7.000 5.067 4.800 5.331 . 0 0 "[ . ]" 2
76 1 21 A H8 1 22 U H5 6.000 . 6.000 3.311 2.932 3.911 . 0 0 "[ . ]" 2
77 1 25 G H8 1 26 C H5 7.000 . 7.000 4.294 3.261 5.427 . 0 0 "[ . ]" 2
78 1 5 A H2 1 24 A H2 6.000 . 6.000 4.301 3.366 4.641 . 0 0 "[ . ]" 2
79 1 9 A H2 1 21 A H2 7.000 . 7.000 6.706 6.282 7.052 0.052 8 0 "[ . ]" 2
80 1 9 A H2 1 21 A H1' 6.000 . 6.000 4.179 3.964 4.529 . 0 0 "[ . ]" 2
81 1 9 A H2 1 10 U H1' 6.000 . 6.000 5.423 4.668 6.019 0.019 7 0 "[ . ]" 2
82 1 9 A H1' 1 19 A H2 7.000 . 7.000 7.011 6.872 7.071 0.071 8 0 "[ . ]" 2
83 1 19 A H2 1 20 U H1' 6.000 . 6.000 4.074 3.636 4.434 . 0 0 "[ . ]" 2
84 1 9 A H8 1 21 A H2 7.000 . 7.000 6.597 5.872 7.024 0.024 4 0 "[ . ]" 2
85 1 9 A H1' 1 21 A H2 7.000 . 7.000 3.915 3.611 4.355 . 0 0 "[ . ]" 2
86 1 21 A H2 1 22 U H1' 5.000 . 5.000 5.005 4.954 5.020 0.020 5 0 "[ . ]" 2
87 1 6 G H1' 1 24 A H2 6.000 . 6.000 5.905 5.706 6.014 0.014 4 0 "[ . ]" 2
88 1 24 A H2 1 25 G H1' 5.000 . 5.000 4.774 3.612 4.994 . 0 0 "[ . ]" 2
89 1 4 C H6 1 5 A H8 7.000 . 7.000 6.135 6.098 6.169 . 0 0 "[ . ]" 2
90 1 9 A H8 1 10 U H6 6.000 . 6.000 5.754 5.606 5.938 . 0 0 "[ . ]" 2
91 1 10 U H6 1 11 G H8 6.000 . 6.000 4.761 4.481 5.061 . 0 0 "[ . ]" 2
92 1 11 G H8 1 12 C H6 6.000 . 6.000 5.511 5.169 5.931 . 0 0 "[ . ]" 2
93 1 12 C H6 1 13 U H6 7.000 . 7.000 4.877 4.681 5.153 . 0 0 "[ . ]" 2
94 1 17 G H8 1 18 C H6 7.000 . 7.000 3.551 3.428 3.772 . 0 0 "[ . ]" 2
95 1 18 C H6 1 19 A H8 6.000 . 6.000 5.549 5.336 5.902 . 0 0 "[ . ]" 2
96 1 19 A H8 1 20 U H6 7.000 . 7.000 4.972 4.057 5.763 . 0 0 "[ . ]" 2
97 1 21 A H8 1 22 U H6 7.000 . 7.000 4.191 3.893 4.472 . 0 0 "[ . ]" 2
98 1 22 U H6 1 23 C H6 6.000 . 6.000 5.719 5.286 5.855 . 0 0 "[ . ]" 2
99 1 23 C H6 1 24 A H8 6.000 . 6.000 6.036 6.004 6.200 0.200 2 0 "[ . ]" 2
100 1 24 A H8 1 25 G H8 7.000 . 7.000 4.874 4.136 5.441 . 0 0 "[ . ]" 2
101 1 27 C H6 1 28 C H6 6.000 . 6.000 5.386 5.078 5.771 . 0 0 "[ . ]" 2
102 1 14 U H1' 1 15 C H1' 7.000 . 7.000 7.119 7.084 7.140 0.140 1 0 "[ . ]" 2
103 1 9 A H1' 1 10 U H5 6.000 . 6.000 5.504 4.929 6.024 0.024 8 0 "[ . ]" 2
104 1 15 C H1' 1 15 C H5 7.000 . 7.000 5.423 5.416 5.441 . 0 0 "[ . ]" 2
105 1 26 C H1' 1 26 C H5 7.000 . 7.000 5.313 5.288 5.324 . 0 0 "[ . ]" 2
106 1 1 G H8 1 1 G HO2' 4.000 . 4.000 5.274 5.003 5.720 1.720 2 8 [*+**-***] 2
107 1 1 G H3' 1 1 G H8 4.000 . 4.000 2.745 2.395 3.160 . 0 0 "[ . ]" 2
108 1 1 G H4' 1 1 G H8 5.000 . 5.000 4.296 4.275 4.334 . 0 0 "[ . ]" 2
109 1 1 G H5' 1 1 G H8 4.000 . 4.000 3.579 2.423 3.994 . 0 0 "[ . ]" 2
110 1 1 G H5'' 1 1 G H8 5.000 . 5.000 2.793 2.359 3.943 . 0 0 "[ . ]" 2
111 1 1 G HO2' 1 2 G H8 4.000 . 4.000 3.940 3.124 4.585 0.585 1 2 "[+ - ]" 2
112 1 1 G H3' 1 2 G H8 4.000 . 4.000 3.320 2.720 3.758 . 0 0 "[ . ]" 2
113 1 1 G H4' 1 2 G H8 6.000 . 6.000 5.479 5.062 5.735 . 0 0 "[ . ]" 2
114 1 2 G H8 1 2 G HO2' 4.000 . 4.000 5.261 5.126 5.538 1.538 2 8 [-+******] 2
115 1 2 G H3' 1 2 G H8 4.000 . 4.000 2.961 2.628 3.242 . 0 0 "[ . ]" 2
116 1 2 G H4' 1 2 G H8 5.000 . 5.000 4.274 4.251 4.304 . 0 0 "[ . ]" 2
117 1 2 G H5' 1 2 G H8 4.000 . 4.000 3.826 3.521 4.001 0.001 5 0 "[ . ]" 2
118 1 2 G H5'' 1 2 G H8 5.000 . 5.000 3.952 3.765 4.213 . 0 0 "[ . ]" 2
119 1 2 G HO2' 1 3 G H8 4.000 . 4.000 4.636 3.856 5.048 1.048 4 6 "[* +***-]" 2
120 1 2 G H3' 1 3 G H8 4.000 . 4.000 3.158 2.828 3.479 . 0 0 "[ . ]" 2
121 1 2 G H4' 1 3 G H8 6.000 . 6.000 5.560 5.363 5.863 . 0 0 "[ . ]" 2
122 1 3 G H8 1 3 G HO2' 4.000 . 4.000 5.316 5.098 5.641 1.641 4 8 [***+**-*] 2
123 1 3 G H3' 1 3 G H8 6.000 . 6.000 2.866 2.649 3.069 . 0 0 "[ . ]" 2
124 1 3 G H4' 1 3 G H8 5.000 . 5.000 4.252 4.227 4.269 . 0 0 "[ . ]" 2
125 1 3 G H5' 1 3 G H8 4.000 . 4.000 3.793 3.639 3.941 . 0 0 "[ . ]" 2
126 1 3 G H5'' 1 3 G H8 5.000 . 5.000 3.916 3.683 4.088 . 0 0 "[ . ]" 2
127 1 3 G HO2' 1 4 C H6 4.000 . 4.000 3.932 3.159 4.687 0.687 7 1 "[ . + ]" 2
128 1 3 G H3' 1 4 C H6 4.000 . 4.000 3.574 3.216 3.840 . 0 0 "[ . ]" 2
129 1 3 G H4' 1 4 C H6 6.000 . 6.000 5.637 5.547 5.689 . 0 0 "[ . ]" 2
130 1 4 C H6 1 4 C HO2' 6.000 . 6.000 5.026 4.903 5.229 . 0 0 "[ . ]" 2
131 1 4 C H3' 1 4 C H6 6.000 . 6.000 2.991 2.924 3.053 . 0 0 "[ . ]" 2
132 1 4 C H4' 1 4 C H6 5.000 . 5.000 3.968 3.943 3.989 . 0 0 "[ . ]" 2
133 1 4 C H5' 1 4 C H6 4.000 . 4.000 3.598 3.564 3.620 . 0 0 "[ . ]" 2
134 1 4 C H5'' 1 4 C H6 5.000 . 5.000 3.731 3.667 3.830 . 0 0 "[ . ]" 2
135 1 4 C HO2' 1 5 A H8 4.000 . 4.000 2.726 2.262 2.930 . 0 0 "[ . ]" 2
136 1 4 C H4' 1 5 A H8 5.000 . 5.000 4.939 4.865 5.026 0.026 8 0 "[ . ]" 2
137 1 5 A H8 1 5 A HO2' 4.000 . 4.000 5.288 5.140 5.531 1.531 6 8 [*****+*-] 2
138 1 5 A H3' 1 5 A H8 5.000 . 5.000 3.099 2.977 3.202 . 0 0 "[ . ]" 2
139 1 5 A H4' 1 5 A H8 5.000 . 5.000 4.266 4.242 4.289 . 0 0 "[ . ]" 2
140 1 5 A H5' 1 5 A H8 4.000 . 4.000 3.847 3.752 3.896 . 0 0 "[ . ]" 2
141 1 5 A H5'' 1 5 A H8 5.000 . 5.000 3.925 3.853 4.006 . 0 0 "[ . ]" 2
142 1 5 A HO2' 1 6 G H8 5.000 . 5.000 4.759 4.331 5.139 0.139 5 0 "[ . ]" 2
143 1 5 A H3' 1 6 G H8 6.000 . 6.000 2.648 2.373 3.275 . 0 0 "[ . ]" 2
144 1 6 G H8 1 6 G HO2' 5.000 . 5.000 5.252 5.148 5.395 0.395 8 0 "[ . ]" 2
145 1 6 G H3' 1 6 G H8 6.000 . 6.000 3.060 2.983 3.185 . 0 0 "[ . ]" 2
146 1 6 G H5' 1 6 G H8 6.000 . 6.000 3.846 3.822 3.873 . 0 0 "[ . ]" 2
147 1 6 G H5'' 1 6 G H8 6.000 . 6.000 3.901 3.819 4.036 . 0 0 "[ . ]" 2
148 1 6 G HO2' 1 7 U H6 5.000 . 5.000 4.565 4.060 4.862 . 0 0 "[ . ]" 2
149 1 6 G H3' 1 7 U H6 6.000 . 6.000 2.609 2.372 2.796 . 0 0 "[ . ]" 2
150 1 7 U H6 1 7 U HO2' 6.000 . 6.000 5.137 4.897 5.551 . 0 0 "[ . ]" 2
151 1 7 U H4' 1 7 U H6 6.000 . 6.000 3.978 3.964 3.996 . 0 0 "[ . ]" 2
152 1 7 U HO2' 1 8 G H8 6.000 . 6.000 5.438 4.301 5.966 . 0 0 "[ . ]" 2
153 1 8 G H8 1 8 G HO2' 6.000 . 6.000 4.347 4.070 4.804 . 0 0 "[ . ]" 2
154 1 8 G H3' 1 8 G H8 6.000 . 6.000 4.124 4.100 4.155 . 0 0 "[ . ]" 2
155 1 8 G H4' 1 8 G H8 7.000 . 7.000 4.677 4.665 4.692 . 0 0 "[ . ]" 2
156 1 8 G HO2' 1 9 A H8 7.000 . 7.000 2.865 2.006 3.590 . 0 0 "[ . ]" 2
157 1 8 G H4' 1 9 A H8 6.000 . 6.000 5.927 5.806 6.049 0.049 8 0 "[ . ]" 2
158 1 9 A H3' 1 9 A H8 6.000 . 6.000 2.498 2.337 2.703 . 0 0 "[ . ]" 2
159 1 9 A H4' 1 9 A H8 5.000 . 5.000 4.311 4.249 4.376 . 0 0 "[ . ]" 2
160 1 10 U H6 1 10 U HO2' 4.000 . 4.000 4.975 4.760 5.127 1.127 6 8 [*****+*-] 2
161 1 10 U H3' 1 10 U H6 4.000 . 4.000 2.336 2.329 2.344 . 0 0 "[ . ]" 2
162 1 10 U H4' 1 10 U H6 5.000 . 5.000 3.925 3.897 3.955 . 0 0 "[ . ]" 2
163 1 10 U H5' 1 10 U H6 5.000 . 5.000 3.837 3.774 3.904 . 0 0 "[ . ]" 2
164 1 10 U H5'' 1 10 U H6 5.000 . 5.000 3.376 3.334 3.432 . 0 0 "[ . ]" 2
165 1 10 U HO2' 1 11 G H8 4.000 . 4.000 4.204 3.481 4.714 0.714 8 3 "[ -. *+]" 2
166 1 10 U H3' 1 11 G H8 5.000 . 5.000 3.177 2.897 3.446 . 0 0 "[ . ]" 2
167 1 10 U H5' 1 11 G H8 7.000 . 7.000 6.806 6.560 7.009 0.009 1 0 "[ . ]" 2
168 1 10 U H5'' 1 11 G H8 6.000 . 6.000 5.542 5.228 5.832 . 0 0 "[ . ]" 2
169 1 11 G H8 1 11 G HO2' 5.000 . 5.000 5.561 5.257 5.713 0.713 7 6 "[* **.*+-]" 2
170 1 11 G H3' 1 11 G H8 4.000 . 4.000 3.115 2.962 3.283 . 0 0 "[ . ]" 2
171 1 11 G H5' 1 11 G H8 5.000 . 5.000 3.906 3.787 3.942 . 0 0 "[ . ]" 2
172 1 11 G H5'' 1 11 G H8 4.000 . 4.000 3.971 3.912 4.019 0.019 7 0 "[ . ]" 2
173 1 11 G H3' 1 12 C H5 6.000 . 6.000 2.429 2.327 2.682 . 0 0 "[ . ]" 2
174 1 11 G HO2' 1 12 C H6 4.000 . 4.000 3.382 2.980 4.069 0.069 5 0 "[ . ]" 2
175 1 11 G H3' 1 12 C H6 5.000 . 5.000 3.059 2.624 3.479 . 0 0 "[ . ]" 2
176 1 11 G H4' 1 12 C H6 5.000 . 5.000 5.203 5.095 5.249 0.249 2 0 "[ . ]" 2
177 1 11 G H5'' 1 12 C H6 6.000 . 6.000 5.443 5.019 5.782 . 0 0 "[ . ]" 2
178 1 12 C HO2' 1 13 U H6 . . 5.000 4.721 4.180 5.038 0.038 7 0 "[ . ]" 2
179 1 12 C H3' 1 12 C H6 6.000 . 6.000 3.305 3.237 3.473 . 0 0 "[ . ]" 2
180 1 12 C H4' 1 12 C H6 5.000 . 5.000 3.999 3.941 4.028 . 0 0 "[ . ]" 2
181 1 12 C H5' 1 12 C H6 5.000 . 5.000 3.923 3.803 4.169 . 0 0 "[ . ]" 2
182 1 12 C H5'' 1 12 C H6 5.000 . 5.000 3.282 2.788 3.498 . 0 0 "[ . ]" 2
183 1 12 C H3' 1 13 U H6 5.000 . 5.000 2.337 2.335 2.341 . 0 0 "[ . ]" 2
184 1 12 C H4' 1 13 U H6 6.000 . 6.000 5.151 5.104 5.192 . 0 0 "[ . ]" 2
185 1 13 U H6 1 13 U HO2' 6.000 . 6.000 5.065 4.860 5.393 . 0 0 "[ . ]" 2
186 1 13 U H3' 1 13 U H6 4.000 . 4.000 2.814 2.743 2.915 . 0 0 "[ . ]" 2
187 1 13 U H5' 1 13 U H6 4.000 . 4.000 3.537 3.429 3.652 . 0 0 "[ . ]" 2
188 1 13 U H5'' 1 13 U H6 4.000 . 4.000 3.645 3.598 3.683 . 0 0 "[ . ]" 2
189 1 13 U HO2' 1 14 U H6 6.000 . 6.000 3.994 3.206 4.599 . 0 0 "[ . ]" 2
190 1 13 U H3' 1 14 U H6 7.000 . 7.000 5.238 5.124 5.357 . 0 0 "[ . ]" 2
191 1 13 U H4' 1 14 U H6 6.000 . 6.000 4.138 3.963 4.397 . 0 0 "[ . ]" 2
192 1 14 U H6 1 14 U HO2' 4.000 . 4.000 5.016 4.798 5.246 1.246 8 8 [*****-*+] 2
193 1 14 U H3' 1 14 U H6 6.000 . 6.000 4.779 4.707 5.061 . 0 0 "[ . ]" 2
194 1 14 U H4' 1 14 U H6 5.000 . 5.000 3.959 3.936 4.006 . 0 0 "[ . ]" 2
195 1 14 U H5' 1 14 U H6 6.000 . 6.000 2.521 2.335 3.796 . 0 0 "[ . ]" 2
196 1 14 U H5'' 1 14 U H6 7.000 . 7.000 4.044 3.997 4.293 . 0 0 "[ . ]" 2
197 1 14 U HO2' 1 15 C H6 4.000 . 4.000 2.697 1.997 3.269 . 0 0 "[ . ]" 2
198 1 14 U H3' 1 15 C H6 4.000 . 4.000 2.229 2.185 2.241 . 0 0 "[ . ]" 2
199 1 14 U H4' 1 15 C H6 5.000 . 5.000 4.786 4.757 4.797 . 0 0 "[ . ]" 2
200 1 14 U H5' 1 15 C H6 5.000 . 5.000 5.433 5.419 5.447 0.447 2 0 "[ . ]" 2
201 1 14 U H5'' 1 15 C H6 5.000 . 5.000 4.824 3.942 5.006 0.006 7 0 "[ . ]" 2
202 1 15 C H3' 1 15 C H6 4.000 . 4.000 4.216 4.108 4.245 0.245 6 0 "[ . ]" 2
203 1 15 C H4' 1 15 C H6 5.000 . 5.000 4.122 4.100 4.198 . 0 0 "[ . ]" 2
204 1 15 C H6 1 15 C HO2' 3.000 . 3.000 4.700 4.545 4.809 1.809 8 8 [*-*****+] 2
205 1 15 C H5' 1 15 C H6 4.000 . 4.000 2.943 2.903 2.999 . 0 0 "[ . ]" 2
206 1 15 C H5'' 1 15 C H6 4.000 . 4.000 4.002 3.993 4.015 0.015 2 0 "[ . ]" 2
207 1 15 C H3' 1 16 G H8 6.000 . 6.000 6.074 6.045 6.098 0.098 2 0 "[ . ]" 2
208 1 15 C H4' 1 16 G H8 5.000 . 5.000 3.543 3.388 3.719 . 0 0 "[ . ]" 2
209 1 15 C H5' 1 16 G H8 4.000 . 4.000 3.496 3.283 3.736 . 0 0 "[ . ]" 2
210 1 15 C H5'' 1 16 G H8 5.000 . 5.000 4.773 4.651 4.894 . 0 0 "[ . ]" 2
211 1 16 G H3' 1 16 G H8 5.000 . 5.000 5.166 5.123 5.203 0.203 2 0 "[ . ]" 2
212 1 16 G H8 1 16 G HO2' 4.000 . 4.000 4.820 4.292 5.500 1.500 2 6 "[*+-** *]" 2
213 1 16 G H3' 1 17 G H8 4.000 . 4.000 4.078 4.048 4.098 0.098 4 0 "[ . ]" 2
214 1 17 G H8 1 17 G HO2' 4.000 . 4.000 5.115 4.976 5.347 1.347 8 8 [**-****+] 2
215 1 17 G H3' 1 17 G H8 4.000 . 4.000 2.354 2.324 2.437 . 0 0 "[ . ]" 2
216 1 17 G H4' 1 17 G H8 5.000 . 5.000 4.258 4.199 4.309 . 0 0 "[ . ]" 2
217 1 17 G H5' 1 17 G H8 5.000 . 5.000 3.940 3.639 4.123 . 0 0 "[ . ]" 2
218 1 17 G H5'' 1 17 G H8 4.000 . 4.000 2.461 2.363 2.560 . 0 0 "[ . ]" 2
219 1 17 G HO2' 1 18 C H6 4.000 . 4.000 4.780 4.257 5.090 1.090 5 6 "[***-+ * ]" 2
220 1 17 G H3' 1 18 C H6 4.000 . 4.000 2.291 2.272 2.305 . 0 0 "[ . ]" 2
221 1 17 G H4' 1 18 C H6 5.000 . 5.000 5.123 5.102 5.159 0.159 6 0 "[ . ]" 2
222 1 18 C H6 1 18 C HO2' 5.000 . 5.000 5.216 4.894 5.596 0.596 8 3 "[ - *+]" 2
223 1 18 C H3' 1 18 C H6 4.000 . 4.000 3.043 2.941 3.178 . 0 0 "[ . ]" 2
224 1 18 C H4' 1 18 C H6 7.000 . 7.000 4.018 3.995 4.042 . 0 0 "[ . ]" 2
225 1 18 C H5' 1 18 C H6 4.000 . 4.000 3.811 3.757 3.890 . 0 0 "[ . ]" 2
226 1 18 C H5'' 1 18 C H6 5.000 . 5.000 3.716 3.673 3.836 . 0 0 "[ . ]" 2
227 1 18 C HO2' 1 19 A H8 4.000 . 4.000 3.843 2.970 4.417 0.417 1 0 "[ . ]" 2
228 1 18 C H3' 1 19 A H8 5.000 . 5.000 3.099 2.782 3.495 . 0 0 "[ . ]" 2
229 1 18 C H5' 1 19 A H8 7.000 . 7.000 6.637 6.302 7.019 0.019 8 0 "[ . ]" 2
230 1 18 C H5'' 1 19 A H8 6.000 . 6.000 5.413 5.019 5.876 . 0 0 "[ . ]" 2
231 1 19 A H8 1 19 A HO2' 5.000 . 5.000 5.526 5.213 5.689 0.689 5 6 "[**- +** ]" 2
232 1 19 A H3' 1 19 A H8 4.000 . 4.000 3.069 2.978 3.180 . 0 0 "[ . ]" 2
233 1 19 A H5' 1 19 A H8 5.000 . 5.000 3.522 3.360 3.689 . 0 0 "[ . ]" 2
234 1 19 A H5'' 1 19 A H8 4.000 . 4.000 4.005 3.878 4.046 0.046 5 0 "[ . ]" 2
235 1 20 U H6 1 20 U HO2' 5.000 . 5.000 5.099 4.745 5.744 0.744 4 1 "[ +. ]" 2
236 1 20 U H5'' 1 20 U H6 6.000 . 6.000 3.109 2.864 3.354 . 0 0 "[ . ]" 2
237 1 20 U HO2' 1 21 A H8 5.000 . 5.000 4.472 3.492 5.336 0.336 5 0 "[ . ]" 2
238 1 21 A H8 1 21 A HO2' 6.000 . 6.000 5.817 5.472 6.010 0.010 4 0 "[ . ]" 2
239 1 21 A H3' 1 21 A H8 5.000 . 5.000 3.913 3.709 4.061 . 0 0 "[ . ]" 2
240 1 21 A H5' 1 21 A H8 5.000 . 5.000 4.756 4.609 4.873 . 0 0 "[ . ]" 2
241 1 21 A H5'' 1 21 A H8 5.000 . 5.000 3.291 3.097 3.437 . 0 0 "[ . ]" 2
242 1 21 A H3' 1 22 U H6 6.000 . 6.000 2.730 2.612 2.934 . 0 0 "[ . ]" 2
243 1 21 A H4' 1 22 U H6 6.000 . 6.000 5.590 5.428 5.831 . 0 0 "[ . ]" 2
244 1 22 U H6 1 22 U HO2' 6.000 . 6.000 5.219 4.938 5.739 . 0 0 "[ . ]" 2
245 1 22 U H4' 1 22 U H6 5.000 . 5.000 4.085 4.012 4.106 . 0 0 "[ . ]" 2
246 1 22 U HO2' 1 23 C H6 4.000 . 4.000 3.536 2.539 4.041 0.041 1 0 "[ . ]" 2
247 1 22 U H4' 1 23 C H6 4.000 . 4.000 4.465 4.426 4.548 0.548 2 1 "[ + . ]" 2
248 1 23 C H6 1 23 C HO2' 5.000 . 5.000 5.285 4.875 5.725 0.725 6 2 "[- .+ ]" 2
249 1 23 C H3' 1 23 C H6 5.000 . 5.000 3.457 3.227 3.562 . 0 0 "[ . ]" 2
250 1 23 C H5' 1 23 C H6 6.000 . 6.000 3.332 3.181 3.413 . 0 0 "[ . ]" 2
251 1 23 C HO2' 1 24 A H8 5.000 . 5.000 3.933 2.884 4.817 . 0 0 "[ . ]" 2
252 1 23 C H3' 1 24 A H8 6.000 . 6.000 3.346 3.214 3.974 . 0 0 "[ . ]" 2
253 1 24 A H8 1 24 A HO2' 4.000 . 4.000 5.322 5.126 5.690 1.690 2 8 [*+***-**] 2
254 1 24 A H3' 1 24 A H8 5.000 . 5.000 2.905 2.754 3.119 . 0 0 "[ . ]" 2
255 1 24 A H4' 1 24 A H8 6.000 . 6.000 4.282 4.222 4.297 . 0 0 "[ . ]" 2
256 1 24 A H5'' 1 24 A H8 6.000 . 6.000 3.924 3.862 4.016 . 0 0 "[ . ]" 2
257 1 24 A H5' 1 24 A H8 6.000 . 6.000 3.908 3.716 4.004 . 0 0 "[ . ]" 2
258 1 24 A HO2' 1 25 G H8 5.000 . 5.000 4.564 4.082 5.170 0.170 6 0 "[ . ]" 2
259 1 24 A H3' 1 25 G H8 5.000 . 5.000 2.789 2.369 3.196 . 0 0 "[ . ]" 2
260 1 24 A H5' 1 25 G H8 7.000 . 7.000 6.463 6.043 6.831 . 0 0 "[ . ]" 2
261 1 25 G H8 1 25 G HO2' 5.000 . 5.000 5.393 5.172 5.573 0.573 4 3 "[ *+.- ]" 2
262 1 25 G H3' 1 25 G H8 4.000 . 4.000 2.954 2.803 3.347 . 0 0 "[ . ]" 2
263 1 25 G H5' 1 25 G H8 4.000 . 4.000 3.735 3.647 3.829 . 0 0 "[ . ]" 2
264 1 25 G H5'' 1 25 G H8 5.000 . 5.000 4.025 3.902 4.107 . 0 0 "[ . ]" 2
265 1 25 G HO2' 1 26 C H6 4.000 . 4.000 3.758 3.145 4.586 0.586 2 1 "[ + . ]" 2
266 1 25 G H3' 1 26 C H6 4.000 . 4.000 2.715 2.371 3.112 . 0 0 "[ . ]" 2
267 1 25 G H4' 1 26 C H6 5.000 . 5.000 5.023 5.007 5.044 0.044 3 0 "[ . ]" 2
268 1 25 G H5' 1 26 C H6 7.000 . 7.000 6.309 6.070 6.551 . 0 0 "[ . ]" 2
269 1 25 G H5'' 1 26 C H6 6.000 . 6.000 5.216 5.018 5.456 . 0 0 "[ . ]" 2
270 1 26 C H6 1 26 C HO2' 5.000 . 5.000 5.187 4.904 5.486 0.486 2 0 "[ . ]" 2
271 1 26 C H3' 1 26 C H6 4.000 . 4.000 3.098 3.021 3.242 . 0 0 "[ . ]" 2
272 1 26 C H4' 1 26 C H6 7.000 . 7.000 3.980 3.950 4.016 . 0 0 "[ . ]" 2
273 1 26 C H5' 1 26 C H6 4.000 . 4.000 3.438 3.262 3.550 . 0 0 "[ . ]" 2
274 1 26 C H5'' 1 26 C H6 5.000 . 5.000 3.885 3.836 3.949 . 0 0 "[ . ]" 2
275 1 26 C HO2' 1 27 C H6 4.000 . 4.000 4.110 3.638 4.532 0.532 5 1 "[ + ]" 2
276 1 26 C H3' 1 27 C H6 4.000 . 4.000 2.725 2.344 2.931 . 0 0 "[ . ]" 2
277 1 26 C H4' 1 27 C H6 5.000 . 5.000 5.013 4.991 5.022 0.022 3 0 "[ . ]" 2
278 1 26 C H5' 1 27 C H6 7.000 . 7.000 6.290 6.024 6.439 . 0 0 "[ . ]" 2
279 1 26 C H5'' 1 27 C H6 6.000 . 6.000 5.103 4.991 5.245 . 0 0 "[ . ]" 2
280 1 27 C H6 1 27 C HO2' 5.000 . 5.000 5.250 4.882 5.599 0.599 3 3 "[ +-. *]" 2
281 1 27 C H3' 1 27 C H6 5.000 . 5.000 3.022 2.933 3.209 . 0 0 "[ . ]" 2
282 1 27 C H4' 1 27 C H6 7.000 . 7.000 3.968 3.946 4.011 . 0 0 "[ . ]" 2
283 1 27 C H5' 1 27 C H6 4.000 . 4.000 3.492 3.412 3.624 . 0 0 "[ . ]" 2
284 1 27 C H5'' 1 27 C H6 5.000 . 5.000 3.815 3.738 3.964 . 0 0 "[ . ]" 2
285 1 27 C HO2' 1 28 C H6 5.000 . 5.000 3.715 2.962 4.636 . 0 0 "[ . ]" 2
286 1 27 C H3' 1 28 C H6 4.000 . 4.000 2.790 2.568 3.057 . 0 0 "[ . ]" 2
287 1 27 C H4' 1 28 C H6 5.000 . 5.000 5.013 5.006 5.024 0.024 1 0 "[ . ]" 2
288 1 27 C H5' 1 28 C H6 7.000 . 7.000 6.362 6.211 6.514 . 0 0 "[ . ]" 2
289 1 27 C H5'' 1 28 C H6 6.000 . 6.000 5.186 5.005 5.377 . 0 0 "[ . ]" 2
290 1 28 C H6 1 28 C HO2' 6.000 . 6.000 5.258 4.895 5.514 . 0 0 "[ . ]" 2
291 1 28 C H3' 1 28 C H6 5.000 . 5.000 3.005 2.964 3.039 . 0 0 "[ . ]" 2
292 1 28 C H4' 1 28 C H6 7.000 . 7.000 3.979 3.961 3.998 . 0 0 "[ . ]" 2
293 1 28 C H5' 1 28 C H6 4.000 . 4.000 3.275 3.120 3.386 . 0 0 "[ . ]" 2
294 1 28 C H5'' 1 28 C H6 5.000 . 5.000 3.968 3.916 4.012 . 0 0 "[ . ]" 2
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