NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
434402 |
2jwv   |
15538 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jwv
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 541
_Distance_constraint_stats_list.Viol_count 299
_Distance_constraint_stats_list.Viol_total 1193.464
_Distance_constraint_stats_list.Viol_max 3.359
_Distance_constraint_stats_list.Viol_rms 0.1769
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0221
_Distance_constraint_stats_list.Viol_average_violations_only 0.3992
_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 0.000 0.000 . 0 "[ . 1]"
1 2 A 0.000 0.000 . 0 "[ . 1]"
1 3 U 0.000 0.000 . 0 "[ . 1]"
1 4 A 0.075 0.027 7 0 "[ . 1]"
1 5 C 2.070 0.292 3 0 "[ . 1]"
1 6 U 16.423 1.286 9 10 [****-***+*]
1 7 U 18.118 1.286 9 10 [****-***+*]
1 8 G 2.262 0.286 6 0 "[ . 1]"
1 9 A 8.528 0.659 8 9 "[-* ****+**]"
1 10 A 7.711 0.659 8 9 "[-* ****+**]"
1 11 A 0.000 0.000 . 0 "[ . 1]"
1 12 C 0.000 0.000 . 0 "[ . 1]"
1 13 U 4.514 0.471 8 0 "[ . 1]"
1 14 G 6.471 0.471 8 0 "[ . 1]"
1 15 U 8.837 0.290 10 0 "[ . 1]"
1 16 A 7.597 0.372 6 0 "[ . 1]"
1 17 A 4.561 0.372 6 0 "[ . 1]"
1 18 G 2.850 0.208 10 0 "[ . 1]"
1 19 G 2.985 0.208 10 0 "[ . 1]"
1 20 U 6.347 0.705 5 10 [****+-****]
1 21 U 6.458 0.705 5 10 [****+-****]
1 22 G 6.091 0.493 5 0 "[ . 1]"
1 23 G 2.765 0.418 2 0 "[ . 1]"
1 24 C 38.660 3.359 2 10 [*+***-****]
1 25 G 35.223 3.359 2 10 [*+***-****]
1 26 U 20.678 1.883 4 10 [***+*****-]
1 27 A 20.678 1.883 4 10 [***+*****-]
1 28 U 0.000 0.000 . 0 "[ . 1]"
1 29 C 0.000 0.000 . 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 G H4' 1 1 G H8 4.500 . 5.400 4.285 4.239 4.351 . 0 0 "[ . 1]" 1
2 1 1 G H2' 1 1 G H8 4.500 . 5.400 4.032 3.982 4.073 . 0 0 "[ . 1]" 1
3 1 1 G H3' 1 1 G H8 3.500 . 4.200 2.864 2.740 2.998 . 0 0 "[ . 1]" 1
4 1 1 G H1' 1 1 G H8 4.000 . 4.800 3.776 3.758 3.794 . 0 0 "[ . 1]" 1
5 1 1 G H1' 1 1 G H2' 3.000 . 4.000 2.717 2.701 2.744 . 0 0 "[ . 1]" 1
6 1 1 G H1' 1 1 G H3' 4.000 2.500 5.500 3.770 3.750 3.805 . 0 0 "[ . 1]" 1
7 1 1 G H1' 1 1 G H4' 4.000 2.500 5.500 3.331 3.259 3.370 . 0 0 "[ . 1]" 1
8 1 1 G H1' 1 1 G Q5' 5.000 3.000 7.000 4.364 4.348 4.373 . 0 0 "[ . 1]" 1
9 1 1 G H2' 1 2 A H8 2.000 . 2.400 2.193 2.181 2.202 . 0 0 "[ . 1]" 1
10 1 1 G H3' 1 2 A H8 3.500 . 4.200 3.186 3.072 3.316 . 0 0 "[ . 1]" 1
11 1 1 G H4' 1 2 A H8 5.500 3.800 7.000 5.612 5.542 5.691 . 0 0 "[ . 1]" 1
12 1 1 G H8 1 2 A H8 5.000 . 6.000 4.764 4.535 4.946 . 0 0 "[ . 1]" 1
13 1 1 G H1' 1 2 A H8 4.500 . 5.400 4.683 4.621 4.753 . 0 0 "[ . 1]" 1
14 1 1 G H2' 1 2 A H1' 5.500 2.800 6.400 4.258 4.150 4.343 . 0 0 "[ . 1]" 1
15 1 1 G H1' 1 2 A H1' 6.000 3.000 7.000 5.852 5.745 5.946 . 0 0 "[ . 1]" 1
16 1 1 G H1 1 2 A H2 5.000 . 5.900 4.457 4.313 4.597 . 0 0 "[ . 1]" 1
17 1 1 G H1 1 29 C H2' 5.500 2.300 7.000 5.461 5.324 5.569 . 0 0 "[ . 1]" 1
18 1 1 G H1 1 29 C H5 5.000 . 5.900 5.133 5.083 5.165 . 0 0 "[ . 1]" 1
19 1 1 G H1 1 29 C H41 3.000 . 3.900 2.521 2.407 2.638 . 0 0 "[ . 1]" 1
20 1 1 G N1 1 2 A H2 5.500 2.300 6.400 5.067 4.941 5.192 . 0 0 "[ . 1]" 1
21 1 2 A H4' 1 2 A H8 4.500 . 5.400 4.314 4.272 4.360 . 0 0 "[ . 1]" 1
22 1 2 A H2' 1 2 A H8 4.500 . 5.400 3.956 3.895 4.054 . 0 0 "[ . 1]" 1
23 1 2 A H3' 1 2 A H8 3.500 . 4.200 2.898 2.826 2.989 . 0 0 "[ . 1]" 1
24 1 2 A H1' 1 2 A H8 4.000 . 4.800 3.770 3.753 3.786 . 0 0 "[ . 1]" 1
25 1 2 A H1' 1 2 A H2' 3.000 . 4.000 2.751 2.735 2.760 . 0 0 "[ . 1]" 1
26 1 2 A H1' 1 2 A H4' 4.000 2.500 5.500 3.261 3.230 3.287 . 0 0 "[ . 1]" 1
27 1 2 A H1' 1 2 A Q5' 5.000 3.000 7.000 4.350 4.333 4.364 . 0 0 "[ . 1]" 1
28 1 2 A H1' 1 3 U H6 4.500 . 5.400 4.785 4.769 4.804 . 0 0 "[ . 1]" 1
29 1 2 A H1' 1 3 U H5 5.000 . 6.000 5.691 5.638 5.771 . 0 0 "[ . 1]" 1
30 1 2 A H2' 1 3 U H5 3.500 . 4.200 3.619 3.513 3.738 . 0 0 "[ . 1]" 1
31 1 2 A H2' 1 3 U H6 2.000 . 2.400 2.119 2.088 2.164 . 0 0 "[ . 1]" 1
32 1 2 A H3' 1 3 U H5 3.500 . 4.200 3.607 3.533 3.758 . 0 0 "[ . 1]" 1
33 1 2 A H3' 1 3 U H6 3.500 . 4.200 3.270 3.233 3.289 . 0 0 "[ . 1]" 1
34 1 2 A H4' 1 3 U H6 5.000 3.300 6.150 5.538 5.510 5.589 . 0 0 "[ . 1]" 1
35 1 2 A H8 1 3 U H5 6.000 3.800 6.800 4.237 4.180 4.289 . 0 0 "[ . 1]" 1
36 1 2 A H8 1 3 U H6 5.000 . 6.000 5.015 4.922 5.052 . 0 0 "[ . 1]" 1
37 1 2 A H2' 1 3 U H1' 4.500 . 5.400 4.144 4.090 4.196 . 0 0 "[ . 1]" 1
38 1 2 A H1' 1 3 U H1' 6.000 3.000 7.000 5.695 5.636 5.741 . 0 0 "[ . 1]" 1
39 1 2 A H2 1 3 U H1' 4.500 . 5.400 3.783 3.641 3.904 . 0 0 "[ . 1]" 1
40 1 2 A H2 1 29 C H1' 4.500 . 5.400 4.193 3.745 4.771 . 0 0 "[ . 1]" 1
41 1 3 U Q5' 1 3 U H6 6.000 3.000 7.000 3.271 3.195 3.412 . 0 0 "[ . 1]" 1
42 1 3 U H2' 1 3 U H5 6.000 3.000 7.000 5.175 5.093 5.212 . 0 0 "[ . 1]" 1
43 1 3 U H2' 1 3 U H6 4.000 . 4.800 3.720 3.644 3.756 . 0 0 "[ . 1]" 1
44 1 3 U H3' 1 3 U H6 3.000 . 3.600 2.529 2.477 2.659 . 0 0 "[ . 1]" 1
45 1 3 U H1' 1 3 U H6 4.000 . 4.800 3.612 3.605 3.620 . 0 0 "[ . 1]" 1
46 1 3 U H1' 1 3 U H5 6.000 3.000 7.000 5.377 5.370 5.381 . 0 0 "[ . 1]" 1
47 1 3 U H1' 1 3 U H2' 3.000 . 4.000 2.746 2.734 2.780 . 0 0 "[ . 1]" 1
48 1 3 U H1' 1 3 U H4' 4.000 2.500 5.500 3.263 3.160 3.309 . 0 0 "[ . 1]" 1
49 1 3 U H1' 1 3 U Q5' 5.000 3.000 7.000 4.344 4.312 4.356 . 0 0 "[ . 1]" 1
50 1 3 U H1' 1 4 A H8 4.500 . 5.400 4.712 4.688 4.763 . 0 0 "[ . 1]" 1
51 1 3 U H2' 1 4 A H8 2.000 . 2.400 2.140 2.120 2.160 . 0 0 "[ . 1]" 1
52 1 3 U H3' 1 4 A H8 3.500 . 4.200 3.221 3.159 3.362 . 0 0 "[ . 1]" 1
53 1 3 U H6 1 4 A H8 5.000 . 6.000 4.607 4.574 4.640 . 0 0 "[ . 1]" 1
54 1 3 U H4' 1 4 A H8 5.150 2.150 6.150 5.584 5.533 5.699 . 0 0 "[ . 1]" 1
55 1 3 U H2' 1 4 A H1' 4.500 . 5.400 4.114 4.056 4.156 . 0 0 "[ . 1]" 1
56 1 3 U H1' 1 4 A H1' 6.000 3.000 7.000 5.588 5.532 5.634 . 0 0 "[ . 1]" 1
57 1 3 U H3 1 28 U H3 4.000 . 4.900 3.652 3.577 3.699 . 0 0 "[ . 1]" 1
58 1 3 U H3 1 27 A H2 3.000 . 3.900 2.916 2.870 2.941 . 0 0 "[ . 1]" 1
59 1 3 U H3 1 4 A H2 5.500 2.300 6.400 5.387 5.337 5.432 . 0 0 "[ . 1]" 1
60 1 3 U H2' 1 3 U H3 5.000 . 5.900 4.615 4.604 4.630 . 0 0 "[ . 1]" 1
61 1 3 U H1' 1 3 U H3 4.500 2.300 5.400 4.585 4.574 4.596 . 0 0 "[ . 1]" 1
62 1 3 U H3 1 3 U H5 4.500 . 5.400 4.209 4.208 4.210 . 0 0 "[ . 1]" 1
63 1 3 U H3 1 27 A H61 2.400 . 3.300 2.373 2.335 2.431 . 0 0 "[ . 1]" 1
64 1 3 U H3 1 27 A H62 3.900 2.200 4.800 3.896 3.857 3.946 . 0 0 "[ . 1]" 1
65 1 3 U H3 1 4 A H1' 5.500 2.300 6.400 5.280 5.246 5.306 . 0 0 "[ . 1]" 1
66 1 3 U H3 1 4 A H61 4.000 . 4.900 4.456 4.389 4.534 . 0 0 "[ . 1]" 1
67 1 2 A H61 1 3 U H3 4.500 . 5.400 3.707 3.584 3.789 . 0 0 "[ . 1]" 1
68 1 4 A Q5' 1 4 A H8 4.500 . 5.400 3.601 3.529 3.784 . 0 0 "[ . 1]" 1
69 1 4 A H4' 1 4 A H8 4.500 . 5.400 4.346 4.302 4.452 . 0 0 "[ . 1]" 1
70 1 4 A H2' 1 4 A H8 4.500 . 5.400 3.904 3.818 3.983 . 0 0 "[ . 1]" 1
71 1 4 A H3' 1 4 A H8 3.500 . 4.200 2.837 2.771 2.907 . 0 0 "[ . 1]" 1
72 1 4 A H1' 1 4 A H8 4.000 . 4.800 3.797 3.783 3.808 . 0 0 "[ . 1]" 1
73 1 4 A H1' 1 4 A H2' 3.000 . 4.000 2.757 2.737 2.797 . 0 0 "[ . 1]" 1
74 1 4 A H1' 1 4 A H3' 4.000 2.500 5.500 3.803 3.780 3.824 . 0 0 "[ . 1]" 1
75 1 4 A H1' 1 4 A H4' 4.000 2.500 5.500 3.237 3.134 3.282 . 0 0 "[ . 1]" 1
76 1 4 A H1' 1 4 A Q5' 5.000 3.000 7.000 4.322 4.274 4.342 . 0 0 "[ . 1]" 1
77 1 4 A H2' 1 5 C H6 2.500 2.100 2.900 2.104 2.073 2.151 0.027 7 0 "[ . 1]" 1
78 1 4 A H2' 1 5 C H5 4.000 . 4.400 3.607 3.505 3.764 . 0 0 "[ . 1]" 1
79 1 4 A H3' 1 5 C H5 3.600 2.800 4.400 3.536 3.316 3.908 . 0 0 "[ . 1]" 1
80 1 4 A H3' 1 5 C H6 3.500 . 4.200 3.174 3.097 3.243 . 0 0 "[ . 1]" 1
81 1 4 A H8 1 5 C H6 5.000 . 6.000 4.785 4.517 4.947 . 0 0 "[ . 1]" 1
82 1 4 A H8 1 5 C H5 5.000 . 6.000 3.844 3.660 4.067 . 0 0 "[ . 1]" 1
83 1 4 A H4' 1 5 C H6 6.000 3.000 7.000 5.483 5.395 5.612 . 0 0 "[ . 1]" 1
84 1 4 A H1' 1 5 C H6 4.500 . 5.400 4.762 4.745 4.790 . 0 0 "[ . 1]" 1
85 1 4 A H1' 1 5 C H5 5.500 . 6.400 5.547 5.373 5.637 . 0 0 "[ . 1]" 1
86 1 4 A H2' 1 5 C H1' 4.500 . 5.400 4.087 4.007 4.174 . 0 0 "[ . 1]" 1
87 1 4 A H1' 1 5 C H1' 6.000 3.000 7.000 5.692 5.561 5.842 . 0 0 "[ . 1]" 1
88 1 4 A H2 1 5 C H6 6.000 2.800 7.000 5.478 5.434 5.537 . 0 0 "[ . 1]" 1
89 1 4 A H2 1 5 C H5 6.000 2.800 7.000 5.928 5.795 6.012 . 0 0 "[ . 1]" 1
90 1 4 A H2 1 5 C H1' 5.500 2.800 6.600 3.975 3.852 4.119 . 0 0 "[ . 1]" 1
91 1 5 C Q5' 1 5 C H6 6.000 3.000 7.000 3.297 3.199 3.534 . 0 0 "[ . 1]" 1
92 1 5 C H2' 1 5 C H5 4.500 . 5.500 5.300 5.108 5.473 . 0 0 "[ . 1]" 1
93 1 5 C H2' 1 5 C H6 4.000 . 4.800 3.789 3.621 3.896 . 0 0 "[ . 1]" 1
94 1 5 C H3' 1 5 C H6 5.000 . 5.600 2.580 2.422 2.805 . 0 0 "[ . 1]" 1
95 1 5 C H1' 1 5 C H6 3.500 . 4.300 3.621 3.597 3.634 . 0 0 "[ . 1]" 1
96 1 5 C H1' 1 5 C H5 6.000 3.000 7.000 5.352 5.312 5.364 . 0 0 "[ . 1]" 1
97 1 5 C H1' 1 5 C H2' 3.000 . 4.000 2.748 2.718 2.813 . 0 0 "[ . 1]" 1
98 1 5 C H1' 1 5 C H3' 4.000 2.500 5.500 3.783 3.746 3.840 . 0 0 "[ . 1]" 1
99 1 5 C H1' 1 5 C Q5' 5.000 3.000 7.000 4.326 4.265 4.355 . 0 0 "[ . 1]" 1
100 1 5 C H1' 1 6 U H1' 5.900 2.900 6.900 5.965 5.687 6.560 . 0 0 "[ . 1]" 1
101 1 5 C H2' 1 6 U H1' 4.500 . 5.400 4.263 4.060 4.635 . 0 0 "[ . 1]" 1
102 1 5 C H1' 1 6 U H6 4.500 2.700 5.400 4.857 4.717 5.176 . 0 0 "[ . 1]" 1
103 1 5 C H1' 1 6 U H5 5.000 . 6.000 5.497 5.205 5.650 . 0 0 "[ . 1]" 1
104 1 5 C H2' 1 6 U H5 5.000 3.300 5.700 3.797 3.560 3.912 . 0 0 "[ . 1]" 1
105 1 5 C H2' 1 6 U H6 3.000 2.500 4.000 2.317 2.208 2.604 0.292 3 0 "[ . 1]" 1
106 1 5 C H3' 1 6 U H6 4.000 2.300 4.700 3.345 3.137 3.715 . 0 0 "[ . 1]" 1
107 1 5 C H3' 1 6 U H5 4.500 2.800 5.200 3.914 3.572 4.554 . 0 0 "[ . 1]" 1
108 1 5 C H5 1 6 U H5 4.000 . 4.800 3.595 3.277 3.905 . 0 0 "[ . 1]" 1
109 1 5 C H6 1 6 U H5 4.800 2.550 5.600 4.065 3.869 4.284 . 0 0 "[ . 1]" 1
110 1 5 C H6 1 6 U H6 5.000 . 6.000 4.742 4.668 4.843 . 0 0 "[ . 1]" 1
111 1 6 U Q5' 1 6 U H6 6.000 3.000 7.000 3.600 3.404 4.053 . 0 0 "[ . 1]" 1
112 1 6 U H2' 1 6 U H5 6.000 3.000 7.000 5.050 4.511 5.416 . 0 0 "[ . 1]" 1
113 1 6 U H2' 1 6 U H6 4.000 . 4.800 3.377 2.420 3.875 . 0 0 "[ . 1]" 1
114 1 6 U H3' 1 6 U H6 3.800 2.600 5.200 3.067 2.629 4.037 . 0 0 "[ . 1]" 1
115 1 6 U H1' 1 6 U H6 4.000 . 4.800 3.666 3.611 3.770 . 0 0 "[ . 1]" 1
116 1 6 U H1' 1 6 U H5 6.000 3.000 7.000 5.388 5.349 5.454 . 0 0 "[ . 1]" 1
117 1 7 U H1' 1 24 C H6 6.000 4.000 8.300 8.426 8.332 8.624 0.324 6 0 "[ . 1]" 1
118 1 7 U H5 1 24 C H5 5.500 3.500 7.100 7.296 7.210 7.422 0.322 4 0 "[ . 1]" 1
119 1 6 U H1' 1 7 U H6 6.000 3.200 6.900 4.258 3.058 5.067 0.142 1 0 "[ . 1]" 1
120 1 6 U H1' 1 7 U H5 6.000 3.000 7.000 5.204 4.383 5.708 . 0 0 "[ . 1]" 1
121 1 6 U H2' 1 7 U H5 5.800 4.100 7.300 3.680 3.036 3.903 1.064 5 3 "[- *+ 1]" 1
122 1 6 U H2' 1 7 U H6 4.500 3.500 5.900 2.513 2.214 3.308 1.286 9 8 "[ ** -***+*]" 1
123 1 6 U H5 1 7 U H5 5.500 3.300 6.300 3.848 3.476 4.620 . 0 0 "[ . 1]" 1
124 1 6 U H6 1 7 U H6 6.000 3.000 7.000 4.702 4.608 4.812 . 0 0 "[ . 1]" 1
125 1 7 U Q5' 1 7 U H6 6.000 3.000 7.000 3.759 3.664 3.972 . 0 0 "[ . 1]" 1
126 1 7 U H2' 1 7 U H5 4.000 . 5.200 5.119 4.443 5.268 0.068 2 0 "[ . 1]" 1
127 1 7 U H2' 1 7 U H6 3.200 . 4.400 3.541 2.471 3.725 . 0 0 "[ . 1]" 1
128 1 7 U H3' 1 7 U H6 3.400 2.200 4.900 3.158 2.963 3.742 . 0 0 "[ . 1]" 1
129 1 7 U H1' 1 7 U H6 4.000 . 4.800 3.646 3.622 3.738 . 0 0 "[ . 1]" 1
130 1 7 U H1' 1 7 U H5 5.000 . 6.000 5.367 5.333 5.445 . 0 0 "[ . 1]" 1
131 1 7 U H1' 1 7 U H2' 3.000 . 4.000 2.852 2.802 3.002 . 0 0 "[ . 1]" 1
132 1 7 U H2' 1 8 G H8 4.000 2.200 4.900 2.817 2.730 2.929 . 0 0 "[ . 1]" 1
133 1 7 U H3' 1 8 G H8 3.500 . 4.200 4.138 4.046 4.473 0.273 6 0 "[ . 1]" 1
134 1 7 U H6 1 8 G H8 6.000 2.800 7.000 5.259 4.614 5.492 . 0 0 "[ . 1]" 1
135 1 7 U H5 1 8 G H8 6.000 3.000 7.000 5.910 5.683 6.099 . 0 0 "[ . 1]" 1
136 1 7 U H4' 1 8 G H8 6.000 3.000 7.000 6.337 5.318 6.563 . 0 0 "[ . 1]" 1
137 1 7 U H1' 1 8 G H8 5.000 2.300 5.900 5.260 3.157 5.588 . 0 0 "[ . 1]" 1
138 1 7 U H2' 1 8 G H1' 4.500 . 6.500 4.442 4.131 6.028 . 0 0 "[ . 1]" 1
139 1 7 U H1' 1 8 G H1' 6.000 3.000 7.000 5.400 4.070 5.658 . 0 0 "[ . 1]" 1
140 1 8 G H1' 1 24 C H6 5.500 3.300 8.200 7.122 6.835 7.379 . 0 0 "[ . 1]" 1
141 1 8 G H1' 1 23 G H1' 6.000 4.000 8.300 6.578 6.139 7.271 . 0 0 "[ . 1]" 1
142 1 8 G H1' 1 23 G H8 6.000 4.000 8.800 8.866 8.334 9.086 0.286 6 0 "[ . 1]" 1
143 1 8 G Q5' 1 8 G H8 5.000 2.200 5.900 4.202 3.985 4.327 . 0 0 "[ . 1]" 1
144 1 8 G H4' 1 8 G H8 4.500 . 5.400 4.611 4.540 4.672 . 0 0 "[ . 1]" 1
145 1 8 G H2' 1 8 G H8 2.400 . 3.500 3.099 2.982 3.519 0.019 6 0 "[ . 1]" 1
146 1 8 G H3' 1 8 G H8 4.500 2.800 5.700 2.812 2.722 3.075 0.078 5 0 "[ . 1]" 1
147 1 8 G H1' 1 8 G H8 4.000 . 4.800 3.896 3.849 3.909 . 0 0 "[ . 1]" 1
148 1 8 G H1' 1 8 G H2' 3.000 . 3.800 2.852 2.841 2.865 . 0 0 "[ . 1]" 1
149 1 8 G H1' 1 8 G H3' 4.000 2.500 4.800 3.887 3.880 3.893 . 0 0 "[ . 1]" 1
150 1 8 G H1' 1 8 G H4' 4.000 2.500 4.800 2.962 2.920 3.004 . 0 0 "[ . 1]" 1
151 1 8 G H2' 1 9 A H8 3.900 2.700 5.300 3.045 2.721 3.201 . 0 0 "[ . 1]" 1
152 1 8 G H3' 1 9 A H8 4.500 2.800 5.200 5.221 4.937 5.363 0.163 8 0 "[ . 1]" 1
153 1 8 G H8 1 9 A H8 6.000 2.800 8.000 5.877 5.582 6.363 . 0 0 "[ . 1]" 1
154 1 8 G H4' 1 9 A H8 6.000 3.000 8.000 5.935 5.727 6.398 . 0 0 "[ . 1]" 1
155 1 8 G H1' 1 9 A H8 5.500 2.800 6.500 4.370 4.097 5.120 . 0 0 "[ . 1]" 1
156 1 9 A Q5' 1 9 A H8 4.500 . 5.400 4.183 4.121 4.256 . 0 0 "[ . 1]" 1
157 1 9 A H4' 1 9 A H8 6.000 . 6.900 4.597 4.573 4.629 . 0 0 "[ . 1]" 1
158 1 9 A H2' 1 9 A H8 4.500 . 5.400 3.666 3.621 3.746 . 0 0 "[ . 1]" 1
159 1 9 A H3' 1 9 A H8 5.000 . 5.700 3.600 3.528 3.660 . 0 0 "[ . 1]" 1
160 1 9 A H1' 1 9 A H8 5.000 . 5.800 3.771 3.760 3.781 . 0 0 "[ . 1]" 1
161 1 9 A H2 1 22 G H1' 5.000 . 6.500 6.510 6.430 6.628 0.128 5 0 "[ . 1]" 1
162 1 9 A H2 1 9 A H2' 4.500 . 6.000 5.197 5.080 5.276 . 0 0 "[ . 1]" 1
163 1 9 A H2' 1 10 A H8 2.800 . 3.700 2.189 2.162 2.216 . 0 0 "[ . 1]" 1
164 1 9 A Q5' 1 10 A H8 5.000 4.800 5.400 5.569 5.479 5.631 0.231 10 0 "[ . 1]" 1
165 1 9 A H3' 1 10 A H8 3.500 . 4.200 2.972 2.900 3.038 . 0 0 "[ . 1]" 1
166 1 9 A H8 1 10 A H8 5.000 . 6.000 4.759 4.651 4.909 . 0 0 "[ . 1]" 1
167 1 9 A H1' 1 10 A H8 5.500 2.800 6.400 5.082 5.056 5.123 . 0 0 "[ . 1]" 1
168 1 9 A H2 1 10 A H1' 5.500 2.800 6.400 3.826 3.568 4.053 . 0 0 "[ . 1]" 1
169 1 9 A H2 1 10 A H8 4.800 3.600 5.900 6.487 6.382 6.559 0.659 8 9 "[-* ****+**]" 1
170 1 9 A H1' 1 10 A H1' 6.000 3.000 7.000 5.534 5.448 5.651 . 0 0 "[ . 1]" 1
171 1 10 A Q5' 1 10 A H8 6.000 3.200 6.900 3.549 3.433 3.651 . 0 0 "[ . 1]" 1
172 1 10 A H4' 1 10 A H8 5.000 2.200 5.900 4.304 4.238 4.367 . 0 0 "[ . 1]" 1
173 1 10 A H2' 1 10 A H8 4.500 . 5.400 3.921 3.876 3.974 . 0 0 "[ . 1]" 1
174 1 10 A H3' 1 10 A H8 4.500 2.800 5.200 2.813 2.730 2.907 0.070 6 0 "[ . 1]" 1
175 1 10 A H1' 1 10 A H8 5.000 . 5.800 3.784 3.779 3.793 . 0 0 "[ . 1]" 1
176 1 10 A H2 1 10 A H2' 4.500 . 6.000 4.927 4.893 4.961 . 0 0 "[ . 1]" 1
177 1 10 A H1' 1 10 A H2' 3.000 . 4.000 2.750 2.730 2.765 . 0 0 "[ . 1]" 1
178 1 10 A H1' 1 10 A H3' 4.000 2.500 5.500 3.802 3.780 3.823 . 0 0 "[ . 1]" 1
179 1 10 A H1' 1 10 A H4' 4.000 2.500 5.500 3.292 3.227 3.364 . 0 0 "[ . 1]" 1
180 1 10 A H1' 1 10 A Q5' 5.000 3.000 7.000 4.361 4.341 4.384 . 0 0 "[ . 1]" 1
181 1 10 A H2' 1 11 A H8 2.000 . 2.600 2.153 2.133 2.173 . 0 0 "[ . 1]" 1
182 1 10 A H3' 1 11 A H8 3.500 . 4.200 3.287 3.185 3.395 . 0 0 "[ . 1]" 1
183 1 10 A H8 1 11 A H8 5.000 . 6.000 4.798 4.771 4.834 . 0 0 "[ . 1]" 1
184 1 10 A H4' 1 11 A H8 6.000 3.000 7.000 5.619 5.565 5.706 . 0 0 "[ . 1]" 1
185 1 10 A H1' 1 11 A H8 5.500 2.800 6.400 4.744 4.732 4.773 . 0 0 "[ . 1]" 1
186 1 10 A H2' 1 11 A H1' 4.500 . 5.400 4.174 4.115 4.230 . 0 0 "[ . 1]" 1
187 1 10 A H2 1 11 A H1' 5.500 2.800 6.400 3.999 3.911 4.084 . 0 0 "[ . 1]" 1
188 1 10 A H2 1 11 A H8 4.800 3.600 5.900 5.230 5.197 5.281 . 0 0 "[ . 1]" 1
189 1 10 A H1' 1 11 A H1' 6.000 3.000 7.000 5.659 5.599 5.723 . 0 0 "[ . 1]" 1
190 1 11 A Q5' 1 11 A H8 4.500 . 5.400 3.579 3.500 3.673 . 0 0 "[ . 1]" 1
191 1 11 A H4' 1 11 A H8 4.500 . 5.400 4.311 4.264 4.365 . 0 0 "[ . 1]" 1
192 1 11 A H2' 1 11 A H8 4.500 . 5.400 3.916 3.863 3.982 . 0 0 "[ . 1]" 1
193 1 11 A H3' 1 11 A H8 4.500 2.500 5.200 2.834 2.772 2.905 . 0 0 "[ . 1]" 1
194 1 11 A H1' 1 11 A H8 4.500 2.300 5.300 3.777 3.771 3.782 . 0 0 "[ . 1]" 1
195 1 11 A H1' 1 11 A H2' 3.000 . 4.000 2.747 2.730 2.768 . 0 0 "[ . 1]" 1
196 1 11 A H1' 1 11 A H3' 4.000 2.500 5.500 3.799 3.784 3.814 . 0 0 "[ . 1]" 1
197 1 11 A H1' 1 11 A H4' 4.000 2.500 5.500 3.241 3.182 3.297 . 0 0 "[ . 1]" 1
198 1 11 A H1' 1 11 A Q5' 5.000 3.000 7.000 4.343 4.319 4.364 . 0 0 "[ . 1]" 1
199 1 11 A H1' 1 12 C H6 4.500 . 5.400 4.752 4.719 4.783 . 0 0 "[ . 1]" 1
200 1 11 A H1' 1 12 C H5 5.000 . 6.000 5.409 5.290 5.510 . 0 0 "[ . 1]" 1
201 1 11 A H2' 1 12 C H5 3.500 . 4.200 3.542 3.457 3.602 . 0 0 "[ . 1]" 1
202 1 11 A H2' 1 12 C H6 2.000 . 2.600 2.131 2.100 2.157 . 0 0 "[ . 1]" 1
203 1 11 A H3' 1 12 C H5 3.500 . 4.200 3.743 3.552 3.941 . 0 0 "[ . 1]" 1
204 1 11 A H3' 1 12 C H6 3.500 . 4.200 3.348 3.278 3.449 . 0 0 "[ . 1]" 1
205 1 11 A H8 1 12 C H5 4.000 . 4.800 3.969 3.846 4.072 . 0 0 "[ . 1]" 1
206 1 11 A H8 1 12 C H6 5.000 . 6.000 4.920 4.868 5.003 . 0 0 "[ . 1]" 1
207 1 11 A H2 1 12 C H5 6.000 3.800 7.500 5.452 5.387 5.541 . 0 0 "[ . 1]" 1
208 1 11 A H4' 1 12 C H6 5.150 2.150 6.150 5.604 5.528 5.689 . 0 0 "[ . 1]" 1
209 1 11 A H2' 1 12 C H1' 4.500 . 5.400 4.382 4.350 4.432 . 0 0 "[ . 1]" 1
210 1 11 A H1' 1 12 C H1' 6.000 3.000 7.000 6.065 5.989 6.127 . 0 0 "[ . 1]" 1
211 1 12 C Q5' 1 12 C H6 6.000 3.000 7.000 3.364 3.298 3.435 . 0 0 "[ . 1]" 1
212 1 12 C H2' 1 12 C H5 6.000 3.000 7.000 5.346 5.278 5.422 . 0 0 "[ . 1]" 1
213 1 12 C H2' 1 12 C H6 4.500 2.300 5.300 3.803 3.758 3.856 . 0 0 "[ . 1]" 1
214 1 12 C H3' 1 12 C H6 3.000 . 3.600 2.682 2.647 2.726 . 0 0 "[ . 1]" 1
215 1 12 C H1' 1 12 C H6 4.000 . 4.800 3.606 3.599 3.611 . 0 0 "[ . 1]" 1
216 1 12 C H1' 1 12 C H5 6.000 3.000 7.000 5.332 5.315 5.343 . 0 0 "[ . 1]" 1
217 1 12 C H1' 1 13 U H1' 5.500 . 6.500 6.126 6.006 6.308 . 0 0 "[ . 1]" 1
218 1 12 C H2' 1 13 U H1' 4.500 . 5.400 4.138 4.096 4.220 . 0 0 "[ . 1]" 1
219 1 12 C H1' 1 13 U H6 4.500 . 5.400 4.719 4.650 4.785 . 0 0 "[ . 1]" 1
220 1 12 C H1' 1 13 U H5 5.000 . 6.000 5.070 4.957 5.190 . 0 0 "[ . 1]" 1
221 1 12 C H2' 1 13 U H5 3.500 . 4.200 3.533 3.444 3.604 . 0 0 "[ . 1]" 1
222 1 12 C H2' 1 13 U H6 2.000 . 2.600 2.150 2.107 2.207 . 0 0 "[ . 1]" 1
223 1 12 C H3' 1 13 U H6 3.800 2.100 4.500 2.735 2.612 2.806 . 0 0 "[ . 1]" 1
224 1 12 C H3' 1 13 U H5 3.800 2.100 4.500 2.961 2.828 3.107 . 0 0 "[ . 1]" 1
225 1 12 C H5 1 13 U H5 4.000 . 4.800 3.010 2.931 3.114 . 0 0 "[ . 1]" 1
226 1 12 C H6 1 13 U H5 4.000 . 4.800 2.983 2.836 3.129 . 0 0 "[ . 1]" 1
227 1 12 C H6 1 13 U H6 5.000 . 6.000 4.316 4.268 4.373 . 0 0 "[ . 1]" 1
228 1 13 U H3 1 18 G H1 3.000 . 3.900 2.461 2.356 2.581 . 0 0 "[ . 1]" 1
229 1 13 U H3 1 19 G H1 4.000 . 5.000 3.989 3.882 4.084 . 0 0 "[ . 1]" 1
230 1 13 U H2' 1 13 U H3 5.000 . 5.900 4.760 4.708 4.797 . 0 0 "[ . 1]" 1
231 1 13 U H1' 1 13 U H3 5.000 . 5.900 4.551 4.542 4.567 . 0 0 "[ . 1]" 1
232 1 13 U H3 1 13 U H5 5.000 . 5.900 4.205 4.203 4.206 . 0 0 "[ . 1]" 1
233 1 13 U H3 1 13 U H6 5.000 . 5.900 4.798 4.796 4.802 . 0 0 "[ . 1]" 1
234 1 12 C H5 1 13 U H3 5.000 . 5.900 5.315 5.236 5.394 . 0 0 "[ . 1]" 1
235 1 12 C H41 1 13 U H3 3.500 . 4.400 3.483 3.408 3.545 . 0 0 "[ . 1]" 1
236 1 12 C H42 1 13 U H3 4.000 . 4.900 4.190 4.105 4.276 . 0 0 "[ . 1]" 1
237 1 12 C H41 1 18 G H1 4.200 . 5.100 4.599 4.551 4.630 . 0 0 "[ . 1]" 1
238 1 17 A H61 1 18 G H1 4.500 . 5.400 3.864 3.810 3.927 . 0 0 "[ . 1]" 1
239 1 18 G H1 1 18 G H21 2.400 . 3.300 2.191 2.181 2.210 . 0 0 "[ . 1]" 1
240 1 18 G H1 1 18 G H22 3.500 . 4.400 3.460 3.452 3.471 . 0 0 "[ . 1]" 1
241 1 13 U Q5' 1 13 U H6 6.000 3.000 7.000 3.254 3.197 3.323 . 0 0 "[ . 1]" 1
242 1 13 U H2' 1 13 U H5 6.000 3.000 7.000 5.435 5.311 5.505 . 0 0 "[ . 1]" 1
243 1 13 U H2' 1 13 U H6 3.500 . 4.300 3.866 3.783 3.919 . 0 0 "[ . 1]" 1
244 1 13 U H3' 1 13 U H6 3.500 2.300 4.500 2.688 2.649 2.721 . 0 0 "[ . 1]" 1
245 1 13 U H1' 1 13 U H6 4.000 . 4.800 3.592 3.582 3.600 . 0 0 "[ . 1]" 1
246 1 13 U H1' 1 13 U H5 6.000 3.000 7.000 5.322 5.312 5.341 . 0 0 "[ . 1]" 1
247 1 13 U H2' 1 14 G H8 3.900 2.900 4.900 2.449 2.429 2.471 0.471 8 0 "[ . 1]" 1
248 1 13 U H3' 1 14 G H8 3.500 . 4.200 3.038 2.979 3.161 . 0 0 "[ . 1]" 1
249 1 13 U H6 1 14 G H8 5.500 2.300 6.500 4.391 4.339 4.436 . 0 0 "[ . 1]" 1
250 1 13 U H5 1 14 G H8 6.000 3.000 7.000 5.042 4.968 5.088 . 0 0 "[ . 1]" 1
251 1 13 U H4' 1 14 G H8 6.000 3.000 7.000 5.653 5.617 5.742 . 0 0 "[ . 1]" 1
252 1 13 U H1' 1 14 G H8 4.500 . 5.400 4.830 4.786 4.910 . 0 0 "[ . 1]" 1
253 1 13 U H1' 1 14 G H1' 6.000 3.300 6.900 5.999 5.928 6.066 . 0 0 "[ . 1]" 1
254 1 14 G H1 1 16 A H8 4.800 . 5.700 5.014 4.927 5.064 . 0 0 "[ . 1]" 1
255 1 14 G H1 1 17 A H8 5.500 4.900 6.400 5.286 5.243 5.310 . 0 0 "[ . 1]" 1
256 1 14 G Q5' 1 14 G H8 5.500 2.700 6.400 3.791 3.758 3.809 . 0 0 "[ . 1]" 1
257 1 14 G H2' 1 14 G H8 3.000 . 4.400 3.717 3.697 3.798 . 0 0 "[ . 1]" 1
258 1 14 G H1' 1 14 G H8 4.500 2.300 5.300 3.798 3.786 3.808 . 0 0 "[ . 1]" 1
259 1 14 G H1' 1 14 G H2' 3.000 . 3.600 2.811 2.790 2.820 . 0 0 "[ . 1]" 1
260 1 14 G H2' 1 16 A H8 4.200 . 5.200 4.189 4.150 4.254 . 0 0 "[ . 1]" 1
261 1 14 G H2' 1 16 A H61 4.200 . 5.200 5.169 5.123 5.207 0.007 4 0 "[ . 1]" 1
262 1 16 A H3' 1 17 A H8 6.000 3.000 7.000 2.664 2.628 2.712 0.372 6 0 "[ . 1]" 1
263 1 14 G H2' 1 15 U H2' 5.000 3.000 6.000 5.000 4.964 5.030 . 0 0 "[ . 1]" 1
264 1 14 G H2' 1 15 U H5 6.000 4.000 7.000 5.712 5.644 5.814 . 0 0 "[ . 1]" 1
265 1 15 U H2' 1 15 U H6 5.500 2.700 6.400 3.652 3.635 3.665 . 0 0 "[ . 1]" 1
266 1 15 U H1' 1 15 U H6 6.000 3.800 6.800 3.599 3.559 3.605 0.241 10 0 "[ . 1]" 1
267 1 15 U H3' 1 15 U H6 3.000 . 3.800 2.877 2.858 2.907 . 0 0 "[ . 1]" 1
268 1 15 U H1' 1 15 U H2' 3.500 2.300 4.100 2.796 2.779 2.807 . 0 0 "[ . 1]" 1
269 1 15 U H2' 1 15 U H5 4.500 3.300 5.100 5.167 5.146 5.186 0.086 8 0 "[ . 1]" 1
270 1 15 U H1' 1 15 U H3' 4.500 3.300 5.100 3.880 3.862 3.886 . 0 0 "[ . 1]" 1
271 1 15 U H1' 1 15 U Q5' 4.500 3.300 5.100 4.305 4.295 4.313 . 0 0 "[ . 1]" 1
272 1 15 U H1' 1 16 A H1' 5.000 . 6.000 5.218 5.159 5.242 . 0 0 "[ . 1]" 1
273 1 15 U H6 1 16 A H8 5.500 2.500 6.500 5.347 5.301 5.425 . 0 0 "[ . 1]" 1
274 1 15 U H5 1 16 A H2 5.500 2.500 6.500 4.365 4.280 4.443 . 0 0 "[ . 1]" 1
275 1 14 G H1' 1 15 U H5 5.000 . 6.000 6.195 6.174 6.215 0.215 2 0 "[ . 1]" 1
276 1 15 U H2' 1 16 A H8 4.000 2.800 4.600 2.824 2.805 2.858 . 0 0 "[ . 1]" 1
277 1 15 U H2' 1 16 A H2 6.000 4.800 6.600 5.761 5.728 5.803 . 0 0 "[ . 1]" 1
278 1 15 U H1' 1 16 A H2 6.000 4.800 6.600 6.848 6.828 6.890 0.290 10 0 "[ . 1]" 1
279 1 16 A H2' 1 16 A H8 4.500 . 5.400 3.428 3.390 3.452 . 0 0 "[ . 1]" 1
280 1 16 A H1' 1 16 A H8 4.500 . 5.300 3.896 3.890 3.901 . 0 0 "[ . 1]" 1
281 1 16 A H1' 1 16 A H2 7.000 . 7.800 4.513 4.501 4.529 . 0 0 "[ . 1]" 1
282 1 16 A H1' 1 16 A H2' 3.000 . 3.600 2.706 2.697 2.713 . 0 0 "[ . 1]" 1
283 1 16 A H2 1 17 A H2 4.500 2.300 5.500 5.391 5.267 5.512 0.012 10 0 "[ . 1]" 1
284 1 16 A H8 1 17 A H8 6.000 3.000 7.000 3.899 3.760 3.939 . 0 0 "[ . 1]" 1
285 1 16 A H2 1 17 A H1' 6.000 . 7.000 4.811 4.638 4.919 . 0 0 "[ . 1]" 1
286 1 16 A H2' 1 17 A H8 3.500 . 4.500 2.211 2.166 2.228 . 0 0 "[ . 1]" 1
287 1 15 U H6 1 16 A H1' 5.000 . 6.000 6.174 6.135 6.201 0.201 4 0 "[ . 1]" 1
288 1 16 A H1' 1 17 A H8 5.500 2.300 6.500 4.845 4.769 4.881 . 0 0 "[ . 1]" 1
289 1 17 A H2' 1 17 A H8 3.000 . 3.900 3.856 3.816 3.917 0.017 10 0 "[ . 1]" 1
290 1 17 A H1' 1 17 A H8 3.300 . 4.100 3.822 3.810 3.832 . 0 0 "[ . 1]" 1
291 1 17 A H1' 1 17 A H2' 3.000 . 3.600 2.704 2.698 2.713 . 0 0 "[ . 1]" 1
292 1 17 A H8 1 18 G H8 5.000 2.800 5.800 3.968 3.898 4.040 . 0 0 "[ . 1]" 1
293 1 17 A H2 1 18 G H8 6.000 3.800 7.500 6.185 6.060 6.263 . 0 0 "[ . 1]" 1
294 1 17 A H2' 1 18 G H8 5.000 2.800 5.800 2.683 2.651 2.707 0.149 4 0 "[ . 1]" 1
295 1 17 A H8 1 18 G H1' 5.000 . 6.200 6.112 5.968 6.201 0.001 6 0 "[ . 1]" 1
296 1 17 A H1' 1 18 G H1' 6.000 2.800 6.800 5.369 5.268 5.477 . 0 0 "[ . 1]" 1
297 1 17 A H2' 1 18 G H1' 5.000 . 6.000 3.792 3.712 3.852 . 0 0 "[ . 1]" 1
298 1 17 A H2 1 18 G H1' 5.500 2.300 6.500 3.481 3.294 3.642 . 0 0 "[ . 1]" 1
299 1 18 G Q5' 1 18 G H8 4.500 . 5.400 3.446 3.419 3.481 . 0 0 "[ . 1]" 1
300 1 18 G H4' 1 18 G H8 4.500 . 5.400 4.258 4.244 4.278 . 0 0 "[ . 1]" 1
301 1 18 G H2' 1 18 G H8 4.800 . 5.700 4.021 3.996 4.042 . 0 0 "[ . 1]" 1
302 1 18 G H3' 1 18 G H8 3.500 . 4.200 2.886 2.842 2.919 . 0 0 "[ . 1]" 1
303 1 18 G H1' 1 18 G H8 5.500 3.300 6.300 3.766 3.759 3.777 . 0 0 "[ . 1]" 1
304 1 18 G H2' 1 19 G H8 2.000 . 2.500 2.668 2.624 2.708 0.208 10 0 "[ . 1]" 1
305 1 18 G H3' 1 19 G H8 3.500 . 4.200 3.632 3.568 3.691 . 0 0 "[ . 1]" 1
306 1 18 G H8 1 19 G H8 5.000 . 6.000 4.854 4.816 4.887 . 0 0 "[ . 1]" 1
307 1 18 G H4' 1 19 G H8 6.000 3.000 7.000 6.161 6.105 6.211 . 0 0 "[ . 1]" 1
308 1 18 G H1' 1 19 G H8 5.500 2.800 6.400 4.989 4.951 5.027 . 0 0 "[ . 1]" 1
309 1 18 G H2' 1 19 G H1' 4.500 . 5.400 4.330 4.277 4.416 . 0 0 "[ . 1]" 1
310 1 18 G H1' 1 19 G H1' 6.000 3.000 7.000 5.970 5.902 6.083 . 0 0 "[ . 1]" 1
311 1 18 G H1 1 19 G H1 4.000 . 4.900 3.908 3.893 3.926 . 0 0 "[ . 1]" 1
312 1 13 U H2' 1 18 G H1 5.000 . 5.900 5.132 5.053 5.202 . 0 0 "[ . 1]" 1
313 1 13 U H1' 1 18 G H1 5.000 . 6.200 4.221 4.140 4.281 . 0 0 "[ . 1]" 1
314 1 12 C H42 1 18 G H1 5.000 . 6.200 5.930 5.888 5.984 . 0 0 "[ . 1]" 1
315 1 19 G Q5' 1 19 G H8 4.500 . 5.400 2.293 2.253 2.359 . 0 0 "[ . 1]" 1
316 1 19 G H4' 1 19 G H8 4.500 . 5.400 4.208 4.172 4.247 . 0 0 "[ . 1]" 1
317 1 19 G H2' 1 19 G H8 4.500 . 5.400 4.185 4.133 4.209 . 0 0 "[ . 1]" 1
318 1 19 G H3' 1 19 G H8 3.500 . 4.200 3.221 3.168 3.286 . 0 0 "[ . 1]" 1
319 1 19 G H1' 1 19 G H8 4.000 . 4.800 3.716 3.707 3.730 . 0 0 "[ . 1]" 1
320 1 19 G H1' 1 19 G H2' 3.000 . 4.000 2.700 2.693 2.704 . 0 0 "[ . 1]" 1
321 1 19 G H1' 1 19 G H3' 4.000 2.500 5.500 3.830 3.821 3.840 . 0 0 "[ . 1]" 1
322 1 19 G H1' 1 19 G H4' 4.000 2.500 5.500 3.478 3.448 3.497 . 0 0 "[ . 1]" 1
323 1 19 G H1' 1 19 G Q5' 5.000 3.000 7.000 4.287 4.280 4.293 . 0 0 "[ . 1]" 1
324 1 19 G H2' 1 19 G Q5' 3.000 . 4.000 4.131 4.117 4.145 0.145 9 0 "[ . 1]" 1
325 1 19 G H2' 1 20 U H6 2.000 . 2.500 2.189 2.174 2.210 . 0 0 "[ . 1]" 1
326 1 19 G H3' 1 20 U H6 3.500 . 4.200 3.113 3.081 3.197 . 0 0 "[ . 1]" 1
327 1 19 G H8 1 20 U H6 5.000 . 6.000 5.253 5.215 5.295 . 0 0 "[ . 1]" 1
328 1 19 G H8 1 20 U H5 6.000 3.000 7.000 4.567 4.493 4.633 . 0 0 "[ . 1]" 1
329 1 19 G H4' 1 20 U H6 6.000 3.000 7.000 5.595 5.564 5.655 . 0 0 "[ . 1]" 1
330 1 19 G H1' 1 20 U H6 4.500 . 5.400 4.788 4.778 4.802 . 0 0 "[ . 1]" 1
331 1 19 G H2' 1 20 U H1' 4.500 . 5.400 4.194 4.153 4.241 . 0 0 "[ . 1]" 1
332 1 19 G H1' 1 20 U H1' 6.000 3.000 7.000 5.875 5.816 5.916 . 0 0 "[ . 1]" 1
333 1 19 G H1 1 20 U H3 4.000 . 4.900 3.417 3.372 3.451 . 0 0 "[ . 1]" 1
334 1 11 A H2 1 20 U H3 2.600 . 3.500 2.667 2.639 2.696 . 0 0 "[ . 1]" 1
335 1 10 A H2 1 20 U H3 5.500 2.300 6.400 6.056 6.009 6.107 . 0 0 "[ . 1]" 1
336 1 20 U H2' 1 20 U H3 5.000 . 5.900 4.578 4.568 4.583 . 0 0 "[ . 1]" 1
337 1 20 U H1' 1 20 U H3 4.500 2.300 5.400 4.578 4.571 4.593 . 0 0 "[ . 1]" 1
338 1 20 U H3 1 20 U H5 4.200 . 4.400 4.209 4.208 4.211 . 0 0 "[ . 1]" 1
339 1 11 A H61 1 20 U H3 2.800 . 3.700 2.651 2.612 2.700 . 0 0 "[ . 1]" 1
340 1 12 C H41 1 20 U H3 4.600 . 5.500 3.935 3.809 4.045 . 0 0 "[ . 1]" 1
341 1 11 A H2 1 19 G H1 4.500 . 5.400 4.845 4.815 4.887 . 0 0 "[ . 1]" 1
342 1 12 C H41 1 19 G H1 3.300 . 4.300 2.637 2.531 2.708 . 0 0 "[ . 1]" 1
343 1 19 G H1 1 19 G H21 2.400 . 3.300 2.192 2.190 2.197 . 0 0 "[ . 1]" 1
344 1 19 G H1 1 19 G H22 3.500 . 4.400 3.459 3.457 3.461 . 0 0 "[ . 1]" 1
345 1 20 U Q5' 1 20 U H6 6.000 3.000 7.000 3.331 3.298 3.374 . 0 0 "[ . 1]" 1
346 1 20 U H2' 1 20 U H5 6.000 3.000 7.000 5.227 5.203 5.252 . 0 0 "[ . 1]" 1
347 1 20 U H2' 1 20 U H6 4.000 . 4.800 3.772 3.747 3.794 . 0 0 "[ . 1]" 1
348 1 20 U H3' 1 20 U H6 3.000 . 3.600 2.747 2.706 2.779 . 0 0 "[ . 1]" 1
349 1 20 U H1' 1 20 U H6 4.000 . 4.800 3.597 3.587 3.602 . 0 0 "[ . 1]" 1
350 1 20 U H1' 1 20 U H5 6.000 3.000 7.000 5.358 5.354 5.360 . 0 0 "[ . 1]" 1
351 1 20 U H1' 1 20 U H2' 3.000 . 4.000 2.766 2.760 2.779 . 0 0 "[ . 1]" 1
352 1 20 U H1' 1 20 U H3' 5.000 3.000 7.000 3.820 3.813 3.830 . 0 0 "[ . 1]" 1
353 1 20 U H1' 1 20 U H4' 4.000 2.500 5.500 3.214 3.183 3.235 . 0 0 "[ . 1]" 1
354 1 20 U H1' 1 20 U Q5' 4.000 2.500 5.500 4.327 4.319 4.338 . 0 0 "[ . 1]" 1
355 1 20 U H1' 1 21 U H1' 5.900 3.500 6.500 5.701 5.595 5.802 . 0 0 "[ . 1]" 1
356 1 20 U H2' 1 21 U H1' 4.500 3.000 5.400 4.113 4.043 4.190 . 0 0 "[ . 1]" 1
357 1 20 U H1' 1 21 U H6 3.800 . 4.800 4.756 4.738 4.770 . 0 0 "[ . 1]" 1
358 1 20 U H1' 1 21 U H5 5.000 . 6.000 5.707 5.659 5.741 . 0 0 "[ . 1]" 1
359 1 20 U H2' 1 21 U H5 3.800 2.100 4.500 3.788 3.729 3.840 . 0 0 "[ . 1]" 1
360 1 20 U H2' 1 21 U H6 2.900 2.100 3.700 2.147 2.124 2.166 . 0 0 "[ . 1]" 1
361 1 20 U H3' 1 21 U H6 3.800 2.100 4.500 3.256 3.212 3.334 . 0 0 "[ . 1]" 1
362 1 20 U H3' 1 21 U H5 3.500 . 4.200 3.880 3.832 3.977 . 0 0 "[ . 1]" 1
363 1 20 U H5 1 21 U H5 4.000 . 4.800 3.739 3.675 3.811 . 0 0 "[ . 1]" 1
364 1 20 U H6 1 21 U H5 4.000 . 4.800 4.185 4.147 4.218 . 0 0 "[ . 1]" 1
365 1 20 U H6 1 21 U H6 5.000 . 6.000 4.730 4.682 4.809 . 0 0 "[ . 1]" 1
366 1 20 U H3 1 21 U H3 4.000 . 5.000 3.919 3.839 3.989 . 0 0 "[ . 1]" 1
367 1 10 A H2 1 21 U H3 3.000 . 3.900 2.950 2.823 3.034 . 0 0 "[ . 1]" 1
368 1 11 A H2 1 21 U H3 4.000 . 4.900 4.038 3.953 4.090 . 0 0 "[ . 1]" 1
369 1 21 U H2' 1 21 U H3 5.000 . 5.900 4.615 4.592 4.636 . 0 0 "[ . 1]" 1
370 1 21 U H1' 1 21 U H3 4.500 2.300 5.400 4.570 4.566 4.574 . 0 0 "[ . 1]" 1
371 1 21 U H3 1 21 U H5 4.500 . 5.400 4.211 4.209 4.212 . 0 0 "[ . 1]" 1
372 1 21 U H3 1 22 G H1' 4.500 . 5.700 4.372 4.185 4.525 . 0 0 "[ . 1]" 1
373 1 10 A H61 1 21 U H3 2.800 . 3.900 2.280 2.160 2.469 . 0 0 "[ . 1]" 1
374 1 11 A H61 1 21 U H3 4.000 . 4.900 3.902 3.789 4.035 . 0 0 "[ . 1]" 1
375 1 21 U H3 1 22 G H21 5.200 2.400 6.100 5.445 5.342 5.531 . 0 0 "[ . 1]" 1
376 1 10 A N1 1 21 U H3 1.900 . 2.100 1.865 1.852 1.878 . 0 0 "[ . 1]" 1
377 1 20 U H1' 1 21 U H2' 5.000 3.000 7.000 7.635 7.561 7.705 0.705 5 10 [****+-****] 1
378 1 21 U Q5' 1 21 U H6 6.000 3.000 7.000 3.497 3.457 3.566 . 0 0 "[ . 1]" 1
379 1 21 U H2' 1 21 U H5 6.000 3.000 7.000 5.137 5.120 5.158 . 0 0 "[ . 1]" 1
380 1 21 U H2' 1 21 U H6 5.000 2.800 5.800 3.668 3.641 3.686 . 0 0 "[ . 1]" 1
381 1 21 U H3' 1 21 U H6 3.500 2.300 4.100 2.795 2.750 2.851 . 0 0 "[ . 1]" 1
382 1 21 U H1' 1 21 U H6 4.000 . 4.800 3.599 3.589 3.607 . 0 0 "[ . 1]" 1
383 1 21 U H1' 1 21 U H5 6.000 3.000 7.000 5.358 5.348 5.364 . 0 0 "[ . 1]" 1
384 1 21 U H1' 1 21 U H2' 3.000 . 4.000 2.800 2.791 2.809 . 0 0 "[ . 1]" 1
385 1 21 U H1' 1 21 U H3' 5.000 3.000 7.000 3.844 3.835 3.851 . 0 0 "[ . 1]" 1
386 1 21 U H1' 1 21 U H4' 4.000 2.500 5.500 3.097 3.050 3.119 . 0 0 "[ . 1]" 1
387 1 21 U H1' 1 22 G H8 4.500 . 5.400 4.885 4.840 4.915 . 0 0 "[ . 1]" 1
388 1 21 U H2' 1 22 G H8 2.900 2.100 3.800 2.207 2.182 2.225 . 0 0 "[ . 1]" 1
389 1 21 U H3' 1 22 G H8 3.500 . 4.200 2.803 2.768 2.852 . 0 0 "[ . 1]" 1
390 1 21 U H5 1 22 G H8 4.000 . 5.100 5.064 4.947 5.166 0.066 3 0 "[ . 1]" 1
391 1 21 U H6 1 22 G H8 5.000 . 6.000 4.314 4.217 4.392 . 0 0 "[ . 1]" 1
392 1 21 U H4' 1 22 G H8 5.150 2.150 6.150 5.394 5.372 5.449 . 0 0 "[ . 1]" 1
393 1 21 U H2' 1 22 G H1' 4.500 . 5.400 3.867 3.776 3.937 . 0 0 "[ . 1]" 1
394 1 21 U H1' 1 22 G H1' 6.000 3.000 7.000 5.585 5.463 5.678 . 0 0 "[ . 1]" 1
395 1 22 G Q5' 1 22 G H8 4.500 . 5.400 3.495 3.433 3.618 . 0 0 "[ . 1]" 1
396 1 22 G H4' 1 22 G H8 4.500 . 5.400 4.260 4.221 4.325 . 0 0 "[ . 1]" 1
397 1 22 G H2' 1 22 G H8 2.500 . 3.400 3.822 3.720 3.893 0.493 5 0 "[ . 1]" 1
398 1 22 G H3' 1 22 G H8 3.500 . 4.200 2.841 2.749 2.925 . 0 0 "[ . 1]" 1
399 1 22 G H1' 1 22 G H8 4.000 . 4.800 3.789 3.785 3.798 . 0 0 "[ . 1]" 1
400 1 22 G H1' 1 22 G H2' 3.000 . 4.000 2.761 2.747 2.774 . 0 0 "[ . 1]" 1
401 1 22 G H1' 1 22 G H3' 5.000 3.000 7.000 3.841 3.827 3.850 . 0 0 "[ . 1]" 1
402 1 22 G H1' 1 22 G H4' 4.000 2.500 5.500 3.269 3.187 3.306 . 0 0 "[ . 1]" 1
403 1 22 G H2' 1 23 G H8 3.500 2.700 4.300 2.841 2.282 3.270 0.418 2 0 "[ . 1]" 1
404 1 22 G H3' 1 23 G H8 3.500 . 4.200 4.127 3.838 4.260 0.060 1 0 "[ . 1]" 1
405 1 22 G H8 1 23 G H8 6.000 2.800 7.000 5.458 4.998 5.824 . 0 0 "[ . 1]" 1
406 1 22 G H4' 1 23 G H8 6.000 3.000 7.000 6.434 5.963 6.760 . 0 0 "[ . 1]" 1
407 1 22 G H1' 1 23 G H8 5.500 2.800 6.400 5.354 4.577 5.902 . 0 0 "[ . 1]" 1
408 1 22 G H2' 1 23 G H1' 4.500 . 5.400 4.492 4.302 5.058 . 0 0 "[ . 1]" 1
409 1 22 G H1' 1 23 G H1' 6.000 3.000 7.000 5.902 5.653 6.146 . 0 0 "[ . 1]" 1
410 1 23 G Q5' 1 23 G H8 4.500 . 5.400 4.112 3.970 4.183 . 0 0 "[ . 1]" 1
411 1 23 G H4' 1 23 G H8 4.500 . 5.400 4.566 4.466 4.615 . 0 0 "[ . 1]" 1
412 1 23 G H2' 1 23 G H8 3.000 . 3.900 3.250 2.970 3.631 . 0 0 "[ . 1]" 1
413 1 23 G H3' 1 23 G H8 3.500 . 4.200 2.936 2.417 3.323 . 0 0 "[ . 1]" 1
414 1 23 G H1' 1 23 G H8 5.000 2.800 5.800 3.865 3.804 3.905 . 0 0 "[ . 1]" 1
415 1 23 G H2' 1 24 C H6 3.100 2.300 3.900 2.623 2.331 2.797 . 0 0 "[ . 1]" 1
416 1 23 G H3' 1 24 C H6 3.500 . 4.200 4.091 3.845 4.204 0.004 1 0 "[ . 1]" 1
417 1 23 G H8 1 24 C H6 5.000 . 6.000 5.487 4.734 5.934 . 0 0 "[ . 1]" 1
418 1 23 G H8 1 24 C H5 6.000 3.000 7.000 4.960 4.252 5.651 . 0 0 "[ . 1]" 1
419 1 23 G H4' 1 24 C H6 6.000 3.000 7.000 5.790 5.499 6.104 . 0 0 "[ . 1]" 1
420 1 23 G H1' 1 24 C H6 4.500 . 5.400 5.107 4.739 5.496 0.096 2 0 "[ . 1]" 1
421 1 23 G H2' 1 24 C H1' 4.500 . 5.400 5.250 4.900 5.457 0.057 10 0 "[ . 1]" 1
422 1 23 G H1' 1 24 C H1' 6.000 3.000 7.000 6.487 5.958 6.805 . 0 0 "[ . 1]" 1
423 1 24 C Q5' 1 24 C H6 6.000 3.000 7.000 3.308 3.101 3.480 . 0 0 "[ . 1]" 1
424 1 24 C H2' 1 24 C H5 6.000 3.000 7.000 5.249 5.036 5.493 . 0 0 "[ . 1]" 1
425 1 24 C H2' 1 24 C H6 4.500 2.300 5.300 3.831 3.703 4.002 . 0 0 "[ . 1]" 1
426 1 24 C H3' 1 24 C H6 3.000 . 3.600 2.727 2.609 2.910 . 0 0 "[ . 1]" 1
427 1 24 C H1' 1 24 C H6 4.000 . 4.800 3.595 3.575 3.624 . 0 0 "[ . 1]" 1
428 1 24 C H1' 1 24 C H5 6.000 3.000 7.000 5.355 5.317 5.390 . 0 0 "[ . 1]" 1
429 1 24 C H1' 1 25 G H8 5.500 2.800 6.500 4.990 4.894 5.073 . 0 0 "[ . 1]" 1
430 1 24 C H2' 1 25 G H8 3.000 2.600 3.500 2.349 2.293 2.407 0.307 4 0 "[ . 1]" 1
431 1 24 C H3' 1 25 G H8 3.500 . 4.200 3.244 3.021 3.344 . 0 0 "[ . 1]" 1
432 1 24 C H5 1 25 G H8 4.200 . 5.700 5.566 5.270 5.800 0.100 1 0 "[ . 1]" 1
433 1 24 C H6 1 25 G H8 5.000 . 6.500 4.961 4.782 5.114 . 0 0 "[ . 1]" 1
434 1 24 C H4' 1 25 G H8 5.150 2.150 6.150 5.673 5.530 5.754 . 0 0 "[ . 1]" 1
435 1 24 C H2' 1 25 G H1' 4.500 . 5.400 4.074 3.977 4.147 . 0 0 "[ . 1]" 1
436 1 24 C H1' 1 25 G H1' 6.000 3.000 7.000 5.615 5.535 5.703 . 0 0 "[ . 1]" 1
437 1 24 C H1' 1 25 G H1 5.000 . 5.900 9.146 9.056 9.259 3.359 2 10 [*+***-****] 1
438 1 25 G H1 1 26 U H3 4.100 . 5.300 3.464 3.352 3.530 . 0 0 "[ . 1]" 1
439 1 5 C H2' 1 25 G H1 5.500 2.300 6.400 5.216 5.152 5.281 . 0 0 "[ . 1]" 1
440 1 25 G H1 1 25 G H21 2.400 . 3.300 2.192 2.178 2.208 . 0 0 "[ . 1]" 1
441 1 25 G H1 1 25 G H22 3.500 . 4.400 3.460 3.452 3.468 . 0 0 "[ . 1]" 1
442 1 5 C H41 1 25 G H1 2.500 . 3.400 2.564 2.505 2.605 . 0 0 "[ . 1]" 1
443 1 4 A H2 1 25 G H1 5.500 2.300 6.400 4.994 4.875 5.135 . 0 0 "[ . 1]" 1
444 1 25 G Q5' 1 25 G H8 4.500 . 5.400 3.502 3.345 3.702 . 0 0 "[ . 1]" 1
445 1 25 G H4' 1 25 G H8 4.500 . 5.400 4.294 4.211 4.414 . 0 0 "[ . 1]" 1
446 1 25 G H2' 1 25 G H8 4.500 . 5.400 3.959 3.895 4.047 . 0 0 "[ . 1]" 1
447 1 25 G H3' 1 25 G H8 3.500 . 4.200 2.700 2.600 2.886 . 0 0 "[ . 1]" 1
448 1 25 G H1' 1 25 G H8 4.000 . 4.800 3.806 3.786 3.826 . 0 0 "[ . 1]" 1
449 1 25 G H2' 1 26 U H6 2.000 . 2.500 2.207 2.173 2.242 . 0 0 "[ . 1]" 1
450 1 25 G H3' 1 26 U H6 3.500 . 4.200 3.362 3.276 3.435 . 0 0 "[ . 1]" 1
451 1 25 G H8 1 26 U H6 5.000 . 6.000 5.030 4.938 5.130 . 0 0 "[ . 1]" 1
452 1 25 G H8 1 26 U H5 6.000 3.000 7.000 4.281 4.190 4.375 . 0 0 "[ . 1]" 1
453 1 25 G H4' 1 26 U H6 6.000 3.000 7.000 5.601 5.551 5.668 . 0 0 "[ . 1]" 1
454 1 25 G H1' 1 26 U H6 4.500 . 5.400 4.814 4.767 4.846 . 0 0 "[ . 1]" 1
455 1 25 G H2' 1 26 U H1' 4.500 . 5.400 4.160 4.083 4.236 . 0 0 "[ . 1]" 1
456 1 25 G H1' 1 26 U H1' 6.000 3.000 7.000 5.674 5.586 5.734 . 0 0 "[ . 1]" 1
457 1 3 U H3 1 26 U H3 5.500 2.300 6.400 5.349 5.306 5.405 . 0 0 "[ . 1]" 1
458 1 26 U H3 1 27 A H2 5.900 2.700 6.800 5.332 5.270 5.423 . 0 0 "[ . 1]" 1
459 1 4 A H2 1 26 U H3 3.000 . 3.900 2.987 2.962 3.004 . 0 0 "[ . 1]" 1
460 1 26 U H2' 1 26 U H3 5.000 . 5.900 4.618 4.583 4.644 . 0 0 "[ . 1]" 1
461 1 26 U H1' 1 26 U H3 4.500 2.300 5.400 4.581 4.563 4.600 . 0 0 "[ . 1]" 1
462 1 26 U H3 1 26 U H5 5.000 . 5.900 4.209 4.205 4.211 . 0 0 "[ . 1]" 1
463 1 26 U H3 1 27 A H1' 5.500 2.300 6.400 5.077 5.021 5.126 . 0 0 "[ . 1]" 1
464 1 4 A H61 1 26 U H3 2.400 . 3.300 2.288 2.260 2.325 . 0 0 "[ . 1]" 1
465 1 4 A H62 1 26 U H3 3.500 . 4.400 3.822 3.795 3.858 . 0 0 "[ . 1]" 1
466 1 25 G H21 1 26 U H3 5.000 . 5.900 4.392 4.188 4.557 . 0 0 "[ . 1]" 1
467 1 26 U H3 1 27 A H61 4.500 . 5.400 4.449 4.420 4.504 . 0 0 "[ . 1]" 1
468 1 26 U Q5' 1 26 U H6 6.000 3.000 7.000 3.210 3.134 3.419 . 0 0 "[ . 1]" 1
469 1 26 U H2' 1 26 U H5 6.000 3.000 7.000 5.219 5.132 5.287 . 0 0 "[ . 1]" 1
470 1 26 U H2' 1 26 U H6 4.000 . 4.800 3.755 3.664 3.816 . 0 0 "[ . 1]" 1
471 1 26 U H3' 1 26 U H6 3.000 . 3.600 2.456 2.404 2.591 . 0 0 "[ . 1]" 1
472 1 26 U H1' 1 26 U H6 4.000 . 4.800 3.606 3.601 3.612 . 0 0 "[ . 1]" 1
473 1 26 U H1' 1 26 U H5 6.000 3.000 7.000 5.371 5.368 5.379 . 0 0 "[ . 1]" 1
474 1 26 U H1' 1 27 A H8 4.500 . 5.400 4.650 4.635 4.678 . 0 0 "[ . 1]" 1
475 1 26 U H2' 1 27 A H8 2.000 . 2.500 2.169 2.132 2.196 . 0 0 "[ . 1]" 1
476 1 26 U H3' 1 27 A H8 3.500 . 4.200 3.120 3.055 3.256 . 0 0 "[ . 1]" 1
477 1 26 U H5 1 27 A H8 4.000 . 4.800 5.020 4.965 5.061 0.261 7 0 "[ . 1]" 1
478 1 26 U H6 1 27 A H8 5.000 . 6.000 4.466 4.414 4.486 . 0 0 "[ . 1]" 1
479 1 26 U H4' 1 27 A H8 5.150 2.150 6.150 5.546 5.500 5.621 . 0 0 "[ . 1]" 1
480 1 26 U H2' 1 27 A H1' 4.500 . 5.400 4.062 4.005 4.138 . 0 0 "[ . 1]" 1
481 1 26 U H1' 1 27 A H1' 6.000 3.000 7.000 5.566 5.496 5.640 . 0 0 "[ . 1]" 1
482 1 27 A Q5' 1 27 A H8 5.500 2.700 6.400 3.579 3.528 3.729 . 0 0 "[ . 1]" 1
483 1 27 A H4' 1 27 A H8 4.500 . 5.400 4.340 4.312 4.421 . 0 0 "[ . 1]" 1
484 1 27 A H2' 1 27 A H8 4.500 . 5.400 3.992 3.936 4.043 . 0 0 "[ . 1]" 1
485 1 27 A H3' 1 27 A H8 3.500 . 4.200 2.883 2.856 2.972 . 0 0 "[ . 1]" 1
486 1 27 A H1' 1 27 A H8 4.000 . 4.800 3.777 3.771 3.784 . 0 0 "[ . 1]" 1
487 1 27 A H2 1 27 A H2' 5.500 2.800 7.400 4.899 4.863 4.963 . 0 0 "[ . 1]" 1
488 1 27 A H1' 1 27 A H2 6.000 3.300 7.900 4.735 4.712 4.750 . 0 0 "[ . 1]" 1
489 1 27 A H1' 1 27 A H2' 3.000 . 4.000 2.738 2.723 2.764 . 0 0 "[ . 1]" 1
490 1 27 A H1' 1 27 A H3' 3.000 . 4.000 3.790 3.777 3.808 . 0 0 "[ . 1]" 1
491 1 27 A H1' 1 27 A H4' 4.000 2.500 5.500 3.258 3.159 3.297 . 0 0 "[ . 1]" 1
492 1 27 A H2' 1 28 U H6 2.000 . 2.500 2.083 2.048 2.141 . 0 0 "[ . 1]" 1
493 1 27 A H3' 1 28 U H6 3.500 . 4.200 3.170 3.088 3.255 . 0 0 "[ . 1]" 1
494 1 27 A H8 1 28 U H6 5.000 . 6.000 4.848 4.799 4.895 . 0 0 "[ . 1]" 1
495 1 27 A H8 1 28 U H5 6.000 3.000 7.000 3.879 3.769 3.974 . 0 0 "[ . 1]" 1
496 1 27 A H4' 1 28 U H6 6.000 3.000 7.000 5.473 5.422 5.531 . 0 0 "[ . 1]" 1
497 1 27 A H1' 1 28 U H6 4.500 . 5.400 4.698 4.661 4.737 . 0 0 "[ . 1]" 1
498 1 27 A H2' 1 28 U H1' 4.500 . 5.400 4.173 4.084 4.266 . 0 0 "[ . 1]" 1
499 1 27 A H1' 1 28 U H1' 6.000 3.000 7.000 5.834 5.696 5.960 . 0 0 "[ . 1]" 1
500 1 4 A H1' 1 27 A H2 5.000 2.300 5.900 3.773 3.685 3.838 . 0 0 "[ . 1]" 1
501 1 26 U H5 1 27 A H2 6.000 3.300 6.900 8.748 8.725 8.783 1.883 4 10 [***+*****-] 1
502 1 28 U Q5' 1 28 U H6 6.000 3.000 7.000 3.304 3.259 3.415 . 0 0 "[ . 1]" 1
503 1 28 U H2' 1 28 U H5 6.000 3.000 7.000 5.300 5.265 5.350 . 0 0 "[ . 1]" 1
504 1 28 U H2' 1 28 U H6 4.000 . 4.800 3.797 3.750 3.843 . 0 0 "[ . 1]" 1
505 1 28 U H3' 1 28 U H6 3.000 . 3.600 2.685 2.614 2.753 . 0 0 "[ . 1]" 1
506 1 28 U H1' 1 28 U H6 4.000 . 4.800 3.585 3.577 3.594 . 0 0 "[ . 1]" 1
507 1 28 U H1' 1 28 U H5 6.000 3.000 7.000 5.340 5.332 5.353 . 0 0 "[ . 1]" 1
508 1 28 U H1' 1 28 U H2' 3.000 . 4.000 2.753 2.744 2.778 . 0 0 "[ . 1]" 1
509 1 28 U H1' 1 28 U H3' 5.000 3.000 7.000 3.801 3.784 3.821 . 0 0 "[ . 1]" 1
510 1 28 U H1' 1 28 U H4' 4.000 2.500 5.500 3.222 3.141 3.265 . 0 0 "[ . 1]" 1
511 1 28 U H1' 1 29 C H1' 5.900 2.900 6.900 5.690 5.446 5.937 . 0 0 "[ . 1]" 1
512 1 28 U H2' 1 29 C H1' 4.500 . 5.400 4.150 3.977 4.298 . 0 0 "[ . 1]" 1
513 1 28 U H1' 1 29 C H6 4.500 . 5.400 4.784 4.735 4.828 . 0 0 "[ . 1]" 1
514 1 28 U H1' 1 29 C H5 5.000 . 6.000 5.516 5.300 5.721 . 0 0 "[ . 1]" 1
515 1 28 U H2' 1 29 C H5 3.500 . 4.200 3.687 3.563 3.829 . 0 0 "[ . 1]" 1
516 1 28 U H2' 1 29 C H6 2.500 2.100 3.000 2.187 2.159 2.220 . 0 0 "[ . 1]" 1
517 1 28 U H3' 1 29 C H6 3.500 . 4.200 3.357 3.301 3.439 . 0 0 "[ . 1]" 1
518 1 28 U H3' 1 29 C H5 3.500 . 4.200 3.905 3.778 4.064 . 0 0 "[ . 1]" 1
519 1 28 U H5 1 29 C H5 4.000 . 4.800 3.859 3.634 4.063 . 0 0 "[ . 1]" 1
520 1 28 U H6 1 29 C H5 4.000 . 4.800 4.216 4.008 4.397 . 0 0 "[ . 1]" 1
521 1 28 U H6 1 29 C H6 5.000 . 6.000 4.879 4.819 4.970 . 0 0 "[ . 1]" 1
522 1 1 G H1 1 28 U H3 4.600 . 6.100 4.355 4.150 4.533 . 0 0 "[ . 1]" 1
523 1 2 A H2 1 28 U H3 3.500 . 4.400 3.057 3.029 3.071 . 0 0 "[ . 1]" 1
524 1 27 A H2 1 28 U H3 4.500 . 5.400 4.561 4.458 4.626 . 0 0 "[ . 1]" 1
525 1 28 U H2' 1 28 U H3 5.000 . 5.900 4.651 4.618 4.694 . 0 0 "[ . 1]" 1
526 1 28 U H1' 1 28 U H3 4.500 2.300 5.400 4.577 4.568 4.584 . 0 0 "[ . 1]" 1
527 1 28 U H3 1 28 U H5 4.200 . 5.100 4.206 4.205 4.207 . 0 0 "[ . 1]" 1
528 1 28 U H3 1 29 C H1' 5.500 2.300 6.400 5.407 5.154 5.694 . 0 0 "[ . 1]" 1
529 1 28 U H3 1 29 C H5 4.000 . 4.900 3.898 3.641 4.152 . 0 0 "[ . 1]" 1
530 1 2 A H61 1 28 U H3 2.400 . 3.300 2.263 2.216 2.304 . 0 0 "[ . 1]" 1
531 1 2 A H62 1 28 U H3 3.500 . 4.400 3.809 3.770 3.849 . 0 0 "[ . 1]" 1
532 1 27 A H61 1 28 U H3 4.000 . 5.000 3.945 3.829 4.027 . 0 0 "[ . 1]" 1
533 1 28 U H3 1 29 C H41 3.500 . 4.400 3.525 3.276 3.745 . 0 0 "[ . 1]" 1
534 1 29 C Q5' 1 29 C H6 6.000 3.000 7.000 3.550 3.492 3.649 . 0 0 "[ . 1]" 1
535 1 29 C H2' 1 29 C H5 6.000 3.000 7.000 5.081 5.049 5.126 . 0 0 "[ . 1]" 1
536 1 29 C H2' 1 29 C H6 4.000 . 4.800 3.527 3.478 3.579 . 0 0 "[ . 1]" 1
537 1 29 C H3' 1 29 C H6 3.000 . 3.600 2.702 2.606 2.796 . 0 0 "[ . 1]" 1
538 1 29 C H1' 1 29 C H6 4.000 . 4.800 3.641 3.629 3.660 . 0 0 "[ . 1]" 1
539 1 29 C H1' 1 29 C H5 6.000 3.000 7.000 5.385 5.368 5.404 . 0 0 "[ . 1]" 1
540 1 29 C H1' 1 29 C H2' 3.000 . 4.000 2.823 2.799 2.844 . 0 0 "[ . 1]" 1
541 1 29 C H1' 1 29 C H3' 4.000 2.500 5.500 3.837 3.810 3.873 . 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 41
_Distance_constraint_stats_list.Viol_count 20
_Distance_constraint_stats_list.Viol_total 35.501
_Distance_constraint_stats_list.Viol_max 0.280
_Distance_constraint_stats_list.Viol_rms 0.0438
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0087
_Distance_constraint_stats_list.Viol_average_violations_only 0.1775
_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 3.550 0.280 6 0 "[ . 1]"
1 2 A 0.000 0.000 . 0 "[ . 1]"
1 3 U 0.000 0.000 . 0 "[ . 1]"
1 4 A 0.000 0.000 . 0 "[ . 1]"
1 5 C 0.000 0.000 . 0 "[ . 1]"
1 10 A 0.000 0.000 . 0 "[ . 1]"
1 11 A 0.000 0.000 . 0 "[ . 1]"
1 12 C 0.000 0.000 . 0 "[ . 1]"
1 14 G 0.000 0.000 . 0 "[ . 1]"
1 17 A 0.000 0.000 . 0 "[ . 1]"
1 19 G 0.000 0.000 . 0 "[ . 1]"
1 20 U 0.000 0.000 . 0 "[ . 1]"
1 21 U 0.000 0.000 . 0 "[ . 1]"
1 25 G 0.000 0.000 . 0 "[ . 1]"
1 26 U 0.000 0.000 . 0 "[ . 1]"
1 27 A 0.000 0.000 . 0 "[ . 1]"
1 28 U 0.000 0.000 . 0 "[ . 1]"
1 29 C 3.550 0.280 6 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 G H1 1 29 C N3 1.890 . 2.090 2.061 2.051 2.077 . 0 0 "[ . 1]" 2
2 1 1 G N1 1 29 C N3 2.900 2.700 3.100 3.060 3.050 3.074 . 0 0 "[ . 1]" 2
3 1 1 G O6 1 29 C H41 1.950 . 2.150 1.891 1.867 1.919 . 0 0 "[ . 1]" 2
4 1 1 G O6 1 29 C N4 2.950 2.750 3.150 2.845 2.816 2.875 . 0 0 "[ . 1]" 2
5 1 1 G H21 1 29 C O2 1.950 . 2.150 2.232 2.215 2.250 0.100 7 0 "[ . 1]" 2
6 1 1 G N2 1 29 C O2 3.700 3.500 3.900 3.227 3.220 3.239 0.280 6 0 "[ . 1]" 2
7 1 2 A N1 1 28 U H3 2.000 . 2.200 1.959 1.939 1.974 . 0 0 "[ . 1]" 2
8 1 2 A N1 1 28 U N3 2.900 2.600 3.200 2.956 2.931 2.975 . 0 0 "[ . 1]" 2
9 1 2 A H61 1 28 U O4 2.000 . 2.200 1.978 1.963 2.004 . 0 0 "[ . 1]" 2
10 1 2 A N6 1 28 U O4 2.900 2.600 3.200 2.952 2.945 2.965 . 0 0 "[ . 1]" 2
11 1 3 U H3 1 27 A N1 1.900 . 2.100 1.899 1.883 1.907 . 0 0 "[ . 1]" 2
12 1 3 U N3 1 27 A N1 2.900 2.600 3.200 2.903 2.889 2.912 . 0 0 "[ . 1]" 2
13 1 3 U O4 1 27 A H61 1.900 . 2.100 1.897 1.887 1.911 . 0 0 "[ . 1]" 2
14 1 3 U O4 1 27 A N6 2.900 2.600 3.200 2.883 2.872 2.906 . 0 0 "[ . 1]" 2
15 1 4 A N1 1 26 U H3 1.900 . 2.100 1.902 1.894 1.909 . 0 0 "[ . 1]" 2
16 1 4 A N1 1 26 U N3 2.900 2.600 3.200 2.906 2.899 2.914 . 0 0 "[ . 1]" 2
17 1 4 A H61 1 26 U O4 1.900 . 2.100 1.891 1.885 1.903 . 0 0 "[ . 1]" 2
18 1 4 A N6 1 26 U O4 2.900 2.600 3.200 2.872 2.863 2.882 . 0 0 "[ . 1]" 2
19 1 5 C N3 1 25 G H1 1.890 . 1.990 1.920 1.898 1.945 . 0 0 "[ . 1]" 2
20 1 5 C N3 1 25 G N1 2.900 2.700 3.100 2.925 2.900 2.950 . 0 0 "[ . 1]" 2
21 1 5 C H41 1 25 G O6 1.950 . 2.050 1.906 1.875 1.938 . 0 0 "[ . 1]" 2
22 1 5 C N4 1 25 G O6 2.950 2.750 3.150 2.905 2.878 2.925 . 0 0 "[ . 1]" 2
23 1 5 C O2 1 25 G H21 1.950 . 2.050 1.914 1.869 1.945 . 0 0 "[ . 1]" 2
24 1 5 C O2 1 25 G N2 2.950 2.750 3.150 2.902 2.866 2.929 . 0 0 "[ . 1]" 2
25 1 10 A N1 1 21 U N3 2.900 2.600 3.200 2.855 2.836 2.877 . 0 0 "[ . 1]" 2
26 1 10 A H61 1 21 U O4 1.900 . 2.100 1.931 1.920 1.950 . 0 0 "[ . 1]" 2
27 1 10 A N6 1 21 U O4 2.900 2.600 3.200 2.941 2.929 2.960 . 0 0 "[ . 1]" 2
28 1 11 A N1 1 20 U H3 1.900 . 2.100 1.867 1.849 1.887 . 0 0 "[ . 1]" 2
29 1 11 A N1 1 20 U N3 2.900 2.600 3.200 2.868 2.850 2.886 . 0 0 "[ . 1]" 2
30 1 11 A H61 1 20 U O4 1.900 . 2.100 1.912 1.898 1.926 . 0 0 "[ . 1]" 2
31 1 11 A N6 1 20 U O4 2.900 2.600 3.200 2.913 2.898 2.928 . 0 0 "[ . 1]" 2
32 1 12 C N3 1 19 G H1 1.890 . 2.090 1.942 1.933 1.954 . 0 0 "[ . 1]" 2
33 1 12 C N3 1 19 G N1 2.900 2.700 3.100 2.942 2.932 2.956 . 0 0 "[ . 1]" 2
34 1 12 C H41 1 19 G O6 1.950 . 2.150 1.919 1.907 1.925 . 0 0 "[ . 1]" 2
35 1 12 C N4 1 19 G O6 2.950 2.750 3.150 2.906 2.901 2.912 . 0 0 "[ . 1]" 2
36 1 12 C O2 1 19 G H21 1.950 . 2.150 1.940 1.929 1.954 . 0 0 "[ . 1]" 2
37 1 12 C O2 1 19 G N2 2.950 2.750 3.150 2.911 2.907 2.915 . 0 0 "[ . 1]" 2
38 1 14 G H22 1 17 A N7 2.000 . 2.200 2.043 2.028 2.063 . 0 0 "[ . 1]" 2
39 1 14 G N2 1 17 A N7 2.900 2.600 3.200 2.779 2.763 2.793 . 0 0 "[ . 1]" 2
40 1 14 G N3 1 17 A H62 2.600 2.400 2.800 2.526 2.515 2.534 . 0 0 "[ . 1]" 2
41 1 14 G N3 1 17 A N6 3.200 2.900 3.500 3.398 3.379 3.413 . 0 0 "[ . 1]" 2
stop_
save_
Contact the webmaster for help, if required. Tuesday, May 14, 2024 6:13:24 AM GMT (wattos1)