NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
481269 |
1bgz   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bgz
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 525
_Distance_constraint_stats_list.Viol_count 438
_Distance_constraint_stats_list.Viol_total 959.724
_Distance_constraint_stats_list.Viol_max 1.807
_Distance_constraint_stats_list.Viol_rms 0.1877
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0508
_Distance_constraint_stats_list.Viol_average_violations_only 0.3652
_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 5.119 1.079 1 6 [+****-]
1 2 G 1.247 0.264 4 0 "[ . ]"
1 3 G 2.331 0.409 4 0 "[ . ]"
1 4 A 4.794 0.473 1 0 "[ . ]"
1 5 U 13.111 0.630 5 1 "[ + ]"
1 6 A 3.996 0.470 5 0 "[ . ]"
1 7 C 9.860 0.734 6 6 [*-***+]
1 8 U 13.788 0.926 2 6 [*+****]
1 9 G 4.801 0.404 2 0 "[ . ]"
1 10 C 9.654 1.125 5 6 [***-+*]
1 11 U 22.217 1.621 6 6 [-****+]
1 12 U 26.759 1.807 1 6 [+-****]
1 13 C 39.963 1.807 1 6 [+-****]
1 14 G 34.307 1.621 6 6 [*-***+]
1 15 G 17.087 1.499 2 6 [*+***-]
1 16 U 20.562 1.284 2 6 [*+***-]
1 17 A 32.886 1.284 2 6 [*+***-]
1 18 A 18.259 1.153 2 6 [*+***-]
1 19 G 2.000 0.180 6 0 "[ . ]"
1 20 U 1.266 0.191 6 0 "[ . ]"
1 21 C 0.776 0.190 2 0 "[ . ]"
1 22 C 1.462 0.254 3 0 "[ . ]"
1 23 C 1.212 0.254 3 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 H8 1 2 G H8 4.200 2.200 5.000 4.888 4.737 5.049 0.049 1 0 "[ . ]" 1
2 1 1 G H1' 1 1 G H8 3.800 . 4.600 3.792 3.698 3.874 . 0 0 "[ . ]" 1
3 1 1 G H1' 1 2 G H8 4.300 . 4.800 4.702 4.661 4.802 0.002 6 0 "[ . ]" 1
4 1 1 G H2' 1 2 G H8 2.400 . 2.800 2.048 1.986 2.171 0.014 1 0 "[ . ]" 1
5 1 1 G H3' 1 1 G H4' 3.000 2.500 3.500 3.033 3.033 3.034 . 0 0 "[ . ]" 1
6 1 1 G H4' 1 1 G HO5' 2.600 . 3.000 3.836 3.688 4.079 1.079 1 6 [+****-] 1
7 1 1 G H4' 1 1 G H5'' 2.300 . 2.600 2.509 2.486 2.542 . 0 0 "[ . ]" 1
8 1 2 G H8 1 3 G H8 4.700 3.100 5.200 4.792 4.566 4.944 . 0 0 "[ . ]" 1
9 1 2 G H1 1 3 G H1 4.000 . 5.000 4.419 3.746 4.944 . 0 0 "[ . ]" 1
10 1 2 G H1' 1 2 G H8 3.800 3.000 4.600 3.756 3.715 3.799 . 0 0 "[ . ]" 1
11 1 2 G H1' 1 3 G H8 4.300 3.100 5.100 4.555 4.486 4.633 . 0 0 "[ . ]" 1
12 1 2 G H2' 1 3 G H8 2.200 . 2.500 1.944 1.869 1.992 0.031 3 0 "[ . ]" 1
13 1 2 G H3' 1 3 G H8 3.300 . 3.700 3.281 3.195 3.371 . 0 0 "[ . ]" 1
14 1 2 G H1' 1 2 G H2' 2.800 2.400 3.000 2.753 2.749 2.757 . 0 0 "[ . ]" 1
15 1 2 G H1' 1 2 G H3' 3.900 3.400 4.400 3.814 3.797 3.829 . 0 0 "[ . ]" 1
16 1 2 G H1' 1 2 G H4' 3.400 2.900 3.700 3.334 3.319 3.350 . 0 0 "[ . ]" 1
17 1 2 G H1' 1 2 G H5' 4.600 3.800 5.400 4.782 4.747 4.816 . 0 0 "[ . ]" 1
18 1 2 G H2' 1 2 G H3' 2.400 2.100 2.700 2.355 2.348 2.363 . 0 0 "[ . ]" 1
19 1 2 G H2' 1 2 G H4' 3.800 3.500 4.100 3.811 3.791 3.831 . 0 0 "[ . ]" 1
20 1 2 G H3' 1 2 G H4' 3.000 2.500 3.500 3.038 3.033 3.043 . 0 0 "[ . ]" 1
21 1 2 G H4' 1 2 G H5' 2.600 . 3.000 2.348 2.318 2.381 . 0 0 "[ . ]" 1
22 1 2 G H4' 1 2 G H5'' 2.300 . 2.600 2.572 2.534 2.611 0.011 5 0 "[ . ]" 1
23 1 2 G H2' 1 3 G H5' 2.900 . 3.300 3.463 3.335 3.564 0.264 4 0 "[ . ]" 1
24 1 2 G H2' 1 3 G H5'' 4.300 . 5.400 4.484 4.427 4.537 . 0 0 "[ . ]" 1
25 1 2 G H2' 1 3 G H3' 4.600 . 5.700 4.428 4.391 4.493 . 0 0 "[ . ]" 1
26 1 3 G H8 1 4 A H8 4.700 3.100 5.200 5.377 5.190 5.609 0.409 4 0 "[ . ]" 1
27 1 3 G H1 1 4 A H2 4.800 3.800 5.300 5.232 4.986 5.476 0.176 5 0 "[ . ]" 1
28 1 3 G H1' 1 3 G H8 3.800 . 4.600 3.695 3.667 3.712 . 0 0 "[ . ]" 1
29 1 3 G H2' 1 3 G H8 3.700 2.300 4.300 4.029 3.986 4.101 . 0 0 "[ . ]" 1
30 1 3 G H1' 1 4 A H8 4.300 2.900 5.300 4.757 4.595 4.993 . 0 0 "[ . ]" 1
31 1 3 G H2' 1 4 A H8 2.400 . 2.700 2.103 1.940 2.303 . 0 0 "[ . ]" 1
32 1 3 G H3' 1 4 A H8 4.000 . 4.800 3.479 3.351 3.618 . 0 0 "[ . ]" 1
33 1 3 G H1' 1 3 G H2' 2.800 2.400 3.000 2.758 2.754 2.763 . 0 0 "[ . ]" 1
34 1 3 G H1' 1 3 G H3' 3.900 3.400 4.400 3.825 3.807 3.838 . 0 0 "[ . ]" 1
35 1 3 G H1' 1 3 G H4' 3.400 2.900 3.700 3.331 3.320 3.341 . 0 0 "[ . ]" 1
36 1 3 G H2' 1 3 G H3' 2.400 . 2.800 2.351 2.344 2.358 . 0 0 "[ . ]" 1
37 1 3 G H2' 1 3 G H4' 3.800 3.500 4.100 3.821 3.803 3.836 . 0 0 "[ . ]" 1
38 1 3 G H3' 1 3 G H4' 3.000 2.500 3.500 3.036 3.033 3.040 . 0 0 "[ . ]" 1
39 1 3 G H4' 1 3 G H5' 2.600 . 3.000 2.330 2.304 2.361 . 0 0 "[ . ]" 1
40 1 3 G H4' 1 3 G H5'' 2.300 . 2.600 2.591 2.554 2.627 0.027 4 0 "[ . ]" 1
41 1 3 G H2' 1 4 A H5' 2.900 . 3.900 3.602 3.505 3.770 . 0 0 "[ . ]" 1
42 1 3 G H2' 1 4 A H5'' 4.500 . 5.600 4.619 4.554 4.677 . 0 0 "[ . ]" 1
43 1 3 G H3' 1 4 A H5' 4.000 . 4.800 4.429 4.335 4.579 . 0 0 "[ . ]" 1
44 1 4 A H8 1 5 U H5 3.600 . 5.000 4.748 4.427 5.120 0.120 2 0 "[ . ]" 1
45 1 4 A H2 1 5 U H5 5.500 . 7.200 5.204 4.939 5.561 . 0 0 "[ . ]" 1
46 1 4 A H2 1 20 U H5 6.000 3.500 7.800 7.051 6.817 7.211 . 0 0 "[ . ]" 1
47 1 4 A H2 1 21 C H6 6.000 3.500 7.800 5.794 5.606 6.045 . 0 0 "[ . ]" 1
48 1 4 A H2 1 19 G H1 5.000 . 6.200 6.275 6.114 6.380 0.180 6 0 "[ . ]" 1
49 1 4 A H1' 1 4 A H8 3.800 . 4.600 3.677 3.664 3.695 . 0 0 "[ . ]" 1
50 1 4 A H2' 1 4 A H8 3.400 . 4.000 4.061 4.025 4.092 0.092 5 0 "[ . ]" 1
51 1 4 A H4' 1 4 A H8 3.800 . 4.600 4.446 4.435 4.458 . 0 0 "[ . ]" 1
52 1 4 A H2 1 21 C H1' 2.700 . 3.400 3.373 3.257 3.427 0.027 3 0 "[ . ]" 1
53 1 4 A H1' 1 4 A H2 4.500 . 5.600 4.851 4.825 4.876 . 0 0 "[ . ]" 1
54 1 4 A H2 1 5 U H2' 4.500 . 5.600 5.955 5.827 6.073 0.473 1 0 "[ . ]" 1
55 1 4 A H1' 1 5 U H6 4.800 2.200 6.000 5.233 4.925 5.519 . 0 0 "[ . ]" 1
56 1 4 A H2' 1 5 U H6 3.200 2.400 4.000 2.544 2.236 2.833 0.164 5 0 "[ . ]" 1
57 1 4 A H2' 1 5 U H5 4.400 3.200 5.200 3.539 3.247 3.882 . 0 0 "[ . ]" 1
58 1 4 A H1' 1 4 A H2' 2.800 2.400 3.000 2.763 2.762 2.765 . 0 0 "[ . ]" 1
59 1 4 A H2' 1 4 A H3' 2.400 2.100 2.700 2.347 2.345 2.350 . 0 0 "[ . ]" 1
60 1 4 A H2' 1 4 A H4' 3.800 3.500 4.100 3.838 3.835 3.840 . 0 0 "[ . ]" 1
61 1 4 A H3' 1 4 A H4' 3.000 2.500 3.500 3.033 3.032 3.034 . 0 0 "[ . ]" 1
62 1 4 A H2' 1 5 U H5' 4.900 . 6.100 4.648 4.620 4.671 . 0 0 "[ . ]" 1
63 1 5 U H6 1 6 A H8 4.800 3.100 6.600 6.236 6.068 6.388 . 0 0 "[ . ]" 1
64 1 5 U H1' 1 5 U H6 3.600 . 4.300 3.682 3.641 3.707 . 0 0 "[ . ]" 1
65 1 5 U H2' 1 5 U H6 2.200 . 2.500 2.922 2.786 3.130 0.630 5 1 "[ + ]" 1
66 1 5 U H3' 1 5 U H6 2.800 . 3.800 4.217 4.104 4.354 0.554 5 1 "[ + ]" 1
67 1 5 U H4' 1 5 U H6 4.000 . 4.800 3.967 3.920 4.019 . 0 0 "[ . ]" 1
68 1 5 U H2' 1 5 U H5 5.000 . 6.200 4.634 4.553 4.779 . 0 0 "[ . ]" 1
69 1 5 U H4' 1 5 U H5 5.000 . 6.200 6.380 6.343 6.428 0.228 1 0 "[ . ]" 1
70 1 5 U H1' 1 6 A H8 4.000 2.300 4.800 3.008 2.826 3.179 . 0 0 "[ . ]" 1
71 1 5 U H2' 1 6 A H8 4.200 . 5.200 4.835 4.631 5.067 . 0 0 "[ . ]" 1
72 1 5 U H1' 1 5 U H2' 3.030 2.530 3.530 2.997 2.994 3.004 . 0 0 "[ . ]" 1
73 1 5 U H1' 1 5 U H3' 3.900 3.400 4.400 3.945 3.926 3.950 . 0 0 "[ . ]" 1
74 1 5 U H1' 1 5 U H4' 3.700 3.200 4.000 3.645 3.619 3.653 . 0 0 "[ . ]" 1
75 1 5 U H2' 1 5 U H3' 2.400 2.100 2.700 2.335 2.329 2.338 . 0 0 "[ . ]" 1
76 1 5 U H2' 1 5 U H4' 3.900 3.600 4.200 3.856 3.845 3.864 . 0 0 "[ . ]" 1
77 1 5 U H3' 1 5 U H4' 2.650 2.150 3.050 2.713 2.710 2.715 . 0 0 "[ . ]" 1
78 1 5 U H4' 1 5 U H5' 2.600 . 3.000 2.398 2.362 2.429 . 0 0 "[ . ]" 1
79 1 5 U H2' 1 6 A H5' 4.900 . 6.100 6.346 6.304 6.372 0.272 6 0 "[ . ]" 1
80 1 5 U H1' 1 7 C H5 4.500 . 5.800 4.484 4.198 4.709 . 0 0 "[ . ]" 1
81 1 5 U H4' 1 6 A H8 3.200 . 3.800 4.064 3.697 4.270 0.470 5 0 "[ . ]" 1
82 1 5 U H5' 1 6 A H8 4.900 . 6.100 6.049 5.864 6.169 0.069 2 0 "[ . ]" 1
83 1 5 U H3' 1 5 U H5' 3.800 . 4.600 2.556 2.478 2.652 . 0 0 "[ . ]" 1
84 1 5 U H3' 1 5 U H5'' 2.800 . 3.200 2.523 2.442 2.580 . 0 0 "[ . ]" 1
85 1 6 A H8 1 7 C H6 4.500 3.000 5.600 5.016 4.526 5.496 . 0 0 "[ . ]" 1
86 1 6 A H8 1 7 C H5 4.200 . 5.200 4.187 3.395 5.020 . 0 0 "[ . ]" 1
87 1 6 A H2 1 7 C H6 4.500 . 5.600 5.016 4.586 5.474 . 0 0 "[ . ]" 1
88 1 6 A H1' 1 6 A H8 3.800 . 4.600 3.635 3.621 3.661 . 0 0 "[ . ]" 1
89 1 6 A H1' 1 6 A H2 4.600 . 5.700 4.920 4.880 4.942 . 0 0 "[ . ]" 1
90 1 6 A H2 1 7 C H1' 2.600 . 3.400 2.798 2.515 3.044 . 0 0 "[ . ]" 1
91 1 6 A H2 1 19 G H1 5.000 . 6.500 6.338 6.277 6.378 . 0 0 "[ . ]" 1
92 1 6 A H2 1 7 C H2' 4.800 2.200 5.900 5.396 5.057 5.724 . 0 0 "[ . ]" 1
93 1 6 A H1' 1 7 C H6 4.400 . 5.500 4.949 4.790 5.131 . 0 0 "[ . ]" 1
94 1 6 A H2' 1 7 C H6 2.400 2.100 2.700 2.328 2.244 2.410 . 0 0 "[ . ]" 1
95 1 6 A H3' 1 7 C H5 3.400 . 4.100 3.195 2.687 3.684 . 0 0 "[ . ]" 1
96 1 6 A H3' 1 7 C H6 3.200 2.500 3.900 2.711 2.238 3.210 0.262 3 0 "[ . ]" 1
97 1 6 A H1' 1 6 A H2' 2.800 2.200 3.400 2.760 2.754 2.764 . 0 0 "[ . ]" 1
98 1 6 A H1' 1 6 A H3' 3.900 3.400 4.400 3.831 3.824 3.837 . 0 0 "[ . ]" 1
99 1 6 A H1' 1 6 A H4' 3.400 2.900 3.700 3.362 3.348 3.380 . 0 0 "[ . ]" 1
100 1 6 A H2' 1 6 A H3' 2.400 2.100 2.700 2.348 2.345 2.352 . 0 0 "[ . ]" 1
101 1 6 A H2' 1 6 A H4' 3.800 3.500 4.100 3.842 3.840 3.844 . 0 0 "[ . ]" 1
102 1 6 A H3' 1 6 A H4' 3.000 2.500 3.500 3.033 3.032 3.033 . 0 0 "[ . ]" 1
103 1 6 A H2' 1 7 C H5' 2.600 . 3.000 2.820 2.708 2.883 . 0 0 "[ . ]" 1
104 1 6 A H2' 1 7 C H5'' 4.300 . 5.400 4.284 4.142 4.387 . 0 0 "[ . ]" 1
105 1 7 C H5 1 8 U H5 4.200 . 5.000 5.179 5.027 5.331 0.331 2 0 "[ . ]" 1
106 1 7 C H1' 1 7 C H6 3.600 . 4.300 3.638 3.621 3.655 . 0 0 "[ . ]" 1
107 1 7 C H3' 1 7 C H6 4.200 . 5.200 2.602 2.474 2.699 . 0 0 "[ . ]" 1
108 1 7 C H5'' 1 7 C H6 4.400 . 5.500 4.016 3.967 4.068 . 0 0 "[ . ]" 1
109 1 7 C H2' 1 7 C H5 4.000 . 5.000 5.093 5.052 5.132 0.132 2 0 "[ . ]" 1
110 1 7 C H3' 1 7 C H5 3.500 . 5.200 4.505 4.397 4.586 . 0 0 "[ . ]" 1
111 1 7 C H1' 1 8 U H6 4.000 . 4.800 4.929 4.885 5.026 0.226 5 0 "[ . ]" 1
112 1 7 C H2' 1 8 U H6 2.600 2.200 3.000 2.253 2.227 2.311 . 0 0 "[ . ]" 1
113 1 7 C H2' 1 8 U H5 4.200 . 5.000 3.642 3.493 3.765 . 0 0 "[ . ]" 1
114 1 7 C H3' 1 8 U H5 4.800 . 6.000 4.152 4.076 4.274 . 0 0 "[ . ]" 1
115 1 7 C H1' 1 7 C H2' 2.800 2.400 3.000 2.757 2.751 2.762 . 0 0 "[ . ]" 1
116 1 7 C H1' 1 7 C H3' 3.900 3.400 4.400 3.818 3.800 3.831 . 0 0 "[ . ]" 1
117 1 7 C H1' 1 7 C H4' 3.400 2.900 3.700 3.329 3.317 3.343 . 0 0 "[ . ]" 1
118 1 7 C H2' 1 7 C H3' 2.400 2.100 2.700 2.354 2.347 2.363 . 0 0 "[ . ]" 1
119 1 7 C H2' 1 7 C H4' 3.800 3.500 4.100 3.817 3.795 3.836 . 0 0 "[ . ]" 1
120 1 7 C H3' 1 7 C H4' 3.000 2.500 3.500 3.037 3.033 3.040 . 0 0 "[ . ]" 1
121 1 7 C H4' 1 7 C H5' 2.600 . 3.000 2.516 2.475 2.559 . 0 0 "[ . ]" 1
122 1 7 C H4' 1 7 C H5'' 2.300 . 2.600 2.423 2.387 2.459 . 0 0 "[ . ]" 1
123 1 7 C H2' 1 8 U Q5' 2.600 . 3.000 3.455 3.265 3.605 0.605 1 3 "[+-* . ]" 1
124 1 7 C H4' 1 8 U H1' 4.600 . 6.700 7.337 7.195 7.434 0.734 6 5 "[ *-**+]" 1
125 1 8 U H3 1 9 G H8 4.500 . 5.600 4.595 4.437 4.795 . 0 0 "[ . ]" 1
126 1 8 U H3 1 9 G H1 4.500 . 5.600 5.307 5.184 5.474 . 0 0 "[ . ]" 1
127 1 8 U H3 1 16 U H3 4.500 . 5.600 5.295 5.020 5.491 . 0 0 "[ . ]" 1
128 1 8 U H3 1 17 A H2 5.000 3.500 6.200 3.716 3.514 3.867 . 0 0 "[ . ]" 1
129 1 8 U H3 1 18 A H2 2.600 . 2.800 3.437 2.951 3.726 0.926 2 5 "[*+**- ]" 1
130 1 8 U H3 1 19 G H1 4.500 4.200 5.600 4.531 4.046 5.141 0.154 5 0 "[ . ]" 1
131 1 8 U H1' 1 8 U H6 3.600 . 4.300 3.584 3.565 3.600 . 0 0 "[ . ]" 1
132 1 8 U H2' 1 8 U H6 3.400 . 4.100 3.788 3.751 3.838 . 0 0 "[ . ]" 1
133 1 8 U H3' 1 8 U H6 2.800 . 4.200 2.872 2.781 2.978 . 0 0 "[ . ]" 1
134 1 8 U H1' 1 9 G H8 4.400 . 5.500 4.683 4.488 4.912 . 0 0 "[ . ]" 1
135 1 8 U H2' 1 9 G H8 2.700 2.300 3.100 2.195 1.986 2.422 0.314 2 0 "[ . ]" 1
136 1 8 U H3' 1 9 G H8 3.000 . 3.500 2.567 2.512 2.620 . 0 0 "[ . ]" 1
137 1 8 U H1' 1 8 U H2' 2.800 2.400 3.000 2.761 2.756 2.765 . 0 0 "[ . ]" 1
138 1 8 U H1' 1 8 U H3' 3.900 3.400 4.400 3.835 3.824 3.841 . 0 0 "[ . ]" 1
139 1 8 U H1' 1 8 U H4' 3.400 2.900 3.700 3.349 3.340 3.369 . 0 0 "[ . ]" 1
140 1 8 U H2' 1 8 U H3' 2.800 2.400 3.200 2.348 2.346 2.352 0.054 6 0 "[ . ]" 1
141 1 8 U H2' 1 8 U H4' 3.800 3.500 4.100 3.836 3.827 3.840 . 0 0 "[ . ]" 1
142 1 8 U H3' 1 8 U H4' 3.000 2.500 3.500 3.033 3.031 3.035 . 0 0 "[ . ]" 1
143 1 8 U H2' 1 9 G H5' 2.900 . 3.300 2.503 2.321 2.665 . 0 0 "[ . ]" 1
144 1 8 U H2' 1 9 G H5'' 4.500 . 5.600 4.007 3.908 4.092 . 0 0 "[ . ]" 1
145 1 9 G H8 1 10 C H5 4.200 2.200 5.000 3.429 3.361 3.564 . 0 0 "[ . ]" 1
146 1 9 G H1 1 15 G H1 4.000 . 4.800 3.852 3.289 4.508 . 0 0 "[ . ]" 1
147 1 9 G H1 1 17 A H2 4.800 . 6.000 4.273 3.966 4.527 . 0 0 "[ . ]" 1
148 1 9 G H1' 1 9 G H8 3.800 . 4.600 3.771 3.740 3.806 . 0 0 "[ . ]" 1
149 1 9 G H3' 1 9 G H8 3.800 . 5.000 2.921 2.801 3.023 . 0 0 "[ . ]" 1
150 1 9 G H4' 1 9 G H8 3.400 . 4.200 4.373 4.360 4.390 0.190 4 0 "[ . ]" 1
151 1 9 G H5'' 1 9 G H8 3.600 . 4.300 4.368 4.338 4.393 0.093 2 0 "[ . ]" 1
152 1 9 G H1' 1 10 C H6 4.200 . 5.200 4.916 4.718 5.165 . 0 0 "[ . ]" 1
153 1 9 G H2' 1 10 C H6 2.500 2.200 2.800 2.247 2.086 2.434 0.114 2 0 "[ . ]" 1
154 1 9 G H2' 1 10 C H5 3.500 . 4.200 3.698 3.585 3.862 . 0 0 "[ . ]" 1
155 1 9 G H3' 1 10 C H6 2.600 2.200 3.000 2.840 2.684 3.031 0.031 1 0 "[ . ]" 1
156 1 9 G H1' 1 9 G H2' 2.800 2.400 3.000 2.758 2.748 2.765 . 0 0 "[ . ]" 1
157 1 9 G H1' 1 9 G H3' 3.900 3.400 4.400 3.820 3.796 3.835 . 0 0 "[ . ]" 1
158 1 9 G H1' 1 9 G H4' 3.400 2.900 3.700 3.342 3.337 3.344 . 0 0 "[ . ]" 1
159 1 9 G H2' 1 9 G H3' 2.400 2.100 2.700 2.351 2.345 2.358 . 0 0 "[ . ]" 1
160 1 9 G H2' 1 9 G H4' 3.800 3.500 4.100 3.828 3.808 3.842 . 0 0 "[ . ]" 1
161 1 9 G H3' 1 9 G H4' 3.000 2.500 3.500 3.036 3.031 3.040 . 0 0 "[ . ]" 1
162 1 9 G H4' 1 9 G H5' 2.600 . 3.000 2.503 2.462 2.539 . 0 0 "[ . ]" 1
163 1 9 G H4' 1 9 G H5'' 2.300 . 2.600 2.419 2.390 2.452 . 0 0 "[ . ]" 1
164 1 9 G H2' 1 10 C H5' 2.600 . 3.000 3.073 2.919 3.279 0.279 5 0 "[ . ]" 1
165 1 9 G H2' 1 10 C H5'' 4.300 . 5.400 4.447 4.326 4.609 . 0 0 "[ . ]" 1
166 1 9 G H1' 1 18 A H2 2.600 2.200 3.000 3.280 3.195 3.404 0.404 2 0 "[ . ]" 1
167 1 9 G H4' 1 10 C H5' 4.100 . 5.100 4.715 4.559 4.835 . 0 0 "[ . ]" 1
168 1 10 C H6 1 11 U H5 3.500 . 4.200 3.462 3.412 3.539 . 0 0 "[ . ]" 1
169 1 10 C H1' 1 10 C H6 3.600 . 4.300 3.622 3.568 3.680 . 0 0 "[ . ]" 1
170 1 10 C H1' 1 11 U H6 4.400 . 5.500 4.865 4.747 5.010 . 0 0 "[ . ]" 1
171 1 10 C H3' 1 11 U H6 2.200 . 2.400 2.601 2.401 2.811 0.411 1 0 "[ . ]" 1
172 1 10 C H1' 1 10 C H2' 2.800 2.400 3.000 2.763 2.760 2.765 . 0 0 "[ . ]" 1
173 1 10 C H1' 1 10 C H3' 3.900 3.400 4.400 3.838 3.834 3.844 . 0 0 "[ . ]" 1
174 1 10 C H1' 1 10 C H4' 3.400 2.900 3.700 3.344 3.340 3.358 . 0 0 "[ . ]" 1
175 1 10 C H2' 1 10 C H3' 2.400 2.100 2.700 2.347 2.346 2.350 . 0 0 "[ . ]" 1
176 1 10 C H2' 1 10 C H4' 3.800 3.500 4.100 3.839 3.836 3.843 . 0 0 "[ . ]" 1
177 1 10 C H3' 1 10 C H4' 3.000 2.500 3.500 3.033 3.030 3.036 . 0 0 "[ . ]" 1
178 1 10 C H2' 1 11 U H5' 2.600 . 3.200 2.702 2.471 3.189 . 0 0 "[ . ]" 1
179 1 10 C H2' 1 11 U H5'' 4.300 . 5.400 4.117 3.906 4.514 . 0 0 "[ . ]" 1
180 1 10 C H5 1 11 U H5 4.200 . 5.200 3.559 3.429 3.677 . 0 0 "[ . ]" 1
181 1 10 C H1' 1 11 U H5 3.800 . 4.800 5.831 5.725 5.925 1.125 5 6 [***-+*] 1
182 1 10 C H1' 1 11 U H1' 4.600 . 5.700 5.776 5.740 5.823 0.123 4 0 "[ . ]" 1
183 1 11 U H1' 1 11 U H6 3.600 . 4.300 3.620 3.605 3.637 . 0 0 "[ . ]" 1
184 1 11 U H2' 1 11 U H6 3.000 . 4.000 3.681 3.631 3.709 . 0 0 "[ . ]" 1
185 1 11 U H3' 1 11 U H6 2.400 . 3.700 2.716 2.631 2.778 . 0 0 "[ . ]" 1
186 1 11 U H4' 1 11 U H6 3.600 . 4.300 4.036 4.011 4.057 . 0 0 "[ . ]" 1
187 1 11 U H1' 1 12 U H6 5.000 3.200 6.300 6.024 5.868 6.178 . 0 0 "[ . ]" 1
188 1 11 U H2' 1 12 U H6 4.400 . 5.500 5.434 5.271 5.838 0.338 6 0 "[ . ]" 1
189 1 11 U H1' 1 11 U H2' 2.800 2.400 3.000 2.762 2.757 2.766 . 0 0 "[ . ]" 1
190 1 11 U H1' 1 11 U H3' 3.900 3.400 4.400 3.839 3.832 3.843 . 0 0 "[ . ]" 1
191 1 11 U H1' 1 11 U H4' 3.400 2.900 3.700 3.346 3.331 3.372 . 0 0 "[ . ]" 1
192 1 11 U H2' 1 11 U H3' 2.400 2.100 2.700 2.350 2.344 2.358 . 0 0 "[ . ]" 1
193 1 11 U H2' 1 11 U H4' 3.800 3.500 4.100 3.838 3.816 3.844 . 0 0 "[ . ]" 1
194 1 11 U H3' 1 11 U H4' 3.000 2.500 3.500 3.033 3.028 3.035 . 0 0 "[ . ]" 1
195 1 11 U H4' 1 11 U H5' 2.600 . 3.400 2.480 2.447 2.536 . 0 0 "[ . ]" 1
196 1 11 U H4' 1 11 U H5'' 2.300 . 2.800 2.459 2.396 2.493 . 0 0 "[ . ]" 1
197 1 11 U H2' 1 12 U H3' 4.800 . 6.000 4.698 4.637 4.775 . 0 0 "[ . ]" 1
198 1 11 U H4' 1 12 U H6 3.800 . 5.000 3.670 3.470 3.795 . 0 0 "[ . ]" 1
199 1 11 U H4' 1 12 U H5' 4.100 . 5.100 5.231 5.051 5.562 0.462 6 0 "[ . ]" 1
200 1 12 U H6 1 13 C H6 4.500 3.100 6.500 6.095 5.458 6.827 0.327 6 0 "[ . ]" 1
201 1 12 U H1' 1 12 U H6 3.200 . 3.800 3.666 3.588 3.692 . 0 0 "[ . ]" 1
202 1 12 U H2' 1 12 U H6 2.300 . 2.600 2.966 2.814 3.299 0.699 6 1 "[ .+]" 1
203 1 12 U H3' 1 12 U H6 3.000 . 4.000 4.361 4.245 4.582 0.582 6 1 "[ .+]" 1
204 1 12 U H4' 1 12 U H6 3.600 . 4.300 4.036 3.960 4.065 . 0 0 "[ . ]" 1
205 1 12 U H5'' 1 12 U H6 4.800 . 6.000 3.816 3.699 3.963 . 0 0 "[ . ]" 1
206 1 12 U H5' 1 12 U H6 4.500 . 5.600 2.246 2.023 2.840 . 0 0 "[ . ]" 1
207 1 12 U H1' 1 13 C H6 3.000 . 4.000 5.112 4.409 5.807 1.807 1 4 "[+- **]" 1
208 1 12 U H2' 1 13 C H6 3.600 . 5.300 3.447 2.681 4.221 . 0 0 "[ . ]" 1
209 1 12 U H3' 1 13 C H6 2.500 . 3.500 2.284 2.208 2.335 . 0 0 "[ . ]" 1
210 1 12 U H1' 1 12 U H2' 3.030 2.830 3.530 3.009 3.004 3.013 . 0 0 "[ . ]" 1
211 1 12 U H1' 1 12 U H3' 3.900 3.400 4.400 3.909 3.894 3.926 . 0 0 "[ . ]" 1
212 1 12 U H1' 1 12 U H4' 3.700 3.400 4.000 3.591 3.575 3.625 . 0 0 "[ . ]" 1
213 1 12 U H2' 1 12 U H3' 2.400 2.100 2.700 2.345 2.337 2.358 . 0 0 "[ . ]" 1
214 1 12 U H2' 1 12 U H4' 3.900 3.600 4.200 3.830 3.821 3.840 . 0 0 "[ . ]" 1
215 1 12 U H3' 1 12 U H4' 2.650 2.250 3.050 2.715 2.712 2.721 . 0 0 "[ . ]" 1
216 1 12 U H3' 1 12 U H5'' 2.900 . 3.300 2.864 2.359 3.012 . 0 0 "[ . ]" 1
217 1 12 U H4' 1 12 U H5' 2.500 . 3.200 2.702 2.452 2.773 . 0 0 "[ . ]" 1
218 1 12 U H4' 1 12 U H5'' 2.500 . 3.200 2.307 2.263 2.497 . 0 0 "[ . ]" 1
219 1 12 U H3' 1 13 C H2' 4.500 . 5.600 4.800 4.257 5.324 . 0 0 "[ . ]" 1
220 1 12 U H4' 1 13 C Q5' 2.800 2.100 3.800 4.869 4.548 5.227 1.427 2 6 [-+****] 1
221 1 12 U H5' 1 13 C H6 5.200 . 6.800 5.570 5.473 5.795 . 0 0 "[ . ]" 1
222 1 12 U H5'' 1 13 C H6 5.000 . 6.200 4.815 4.246 5.281 . 0 0 "[ . ]" 1
223 1 12 U H5' 1 13 C H5 3.600 . 4.800 4.706 4.596 4.834 0.034 5 0 "[ . ]" 1
224 1 12 U H5'' 1 13 C H5 3.600 . 4.600 3.535 2.974 4.046 . 0 0 "[ . ]" 1
225 1 13 C H1' 1 13 C H6 3.600 . 4.300 3.671 3.592 3.742 . 0 0 "[ . ]" 1
226 1 13 C H2' 1 13 C H6 2.200 . 2.500 2.724 2.154 3.309 0.809 2 3 "[ +*-. ]" 1
227 1 13 C H2' 1 13 C H5 4.800 . 6.000 4.572 4.213 4.921 . 0 0 "[ . ]" 1
228 1 13 C H1' 1 14 G H8 4.000 . 5.400 6.057 5.379 6.968 1.568 1 3 "[+ *-]" 1
229 1 13 C H1' 1 13 C H2' 3.030 2.830 3.530 3.013 3.011 3.015 . 0 0 "[ . ]" 1
230 1 13 C H1' 1 13 C H3' 3.900 3.400 4.400 3.904 3.895 3.910 . 0 0 "[ . ]" 1
231 1 13 C H1' 1 13 C H4' 3.700 3.400 4.000 3.573 3.563 3.584 . 0 0 "[ . ]" 1
232 1 13 C H2' 1 13 C H3' 2.400 2.100 2.700 2.336 2.312 2.360 . 0 0 "[ . ]" 1
233 1 13 C H2' 1 13 C H4' 3.900 3.600 4.200 3.823 3.806 3.839 . 0 0 "[ . ]" 1
234 1 13 C H3' 1 13 C H4' 2.650 2.250 3.050 2.718 2.716 2.721 . 0 0 "[ . ]" 1
235 1 13 C H4' 1 13 C Q5' 2.600 . 2.800 2.183 2.172 2.191 . 0 0 "[ . ]" 1
236 1 13 C H4' 1 14 G H3' 4.900 . 6.100 5.755 4.940 6.347 0.247 2 0 "[ . ]" 1
237 1 13 C H4' 1 14 G H4' 4.200 . 5.600 5.232 4.665 5.865 0.265 2 0 "[ . ]" 1
238 1 13 C H4' 1 14 G H5' 4.800 . 6.000 5.119 3.858 6.324 0.324 2 0 "[ . ]" 1
239 1 13 C H4' 1 14 G H5'' 4.800 . 6.000 5.930 5.320 6.553 0.553 2 1 "[ + . ]" 1
240 1 14 G H8 1 15 G H8 5.000 3.800 6.200 6.778 6.221 7.281 1.081 5 3 "[- +*]" 1
241 1 14 G H1' 1 14 G H8 2.200 . 2.500 2.606 2.558 2.671 0.171 3 0 "[ . ]" 1
242 1 14 G H2' 1 14 G H8 2.800 . 3.800 3.677 3.320 3.998 0.198 6 0 "[ . ]" 1
243 1 14 G H1' 1 15 G H8 4.800 . 6.000 6.224 6.108 6.343 0.343 5 0 "[ . ]" 1
244 1 14 G H3' 1 15 G H8 3.200 . 3.800 3.291 3.081 3.454 . 0 0 "[ . ]" 1
245 1 14 G H1' 1 14 G H2' 2.800 2.400 3.000 2.757 2.753 2.762 . 0 0 "[ . ]" 1
246 1 14 G H1' 1 14 G H3' 3.900 3.400 4.400 3.818 3.796 3.840 . 0 0 "[ . ]" 1
247 1 14 G H1' 1 14 G H4' 3.400 2.900 3.700 3.331 3.294 3.362 . 0 0 "[ . ]" 1
248 1 14 G H2' 1 14 G H3' 2.400 2.100 2.700 2.352 2.342 2.365 . 0 0 "[ . ]" 1
249 1 14 G H2' 1 14 G H4' 3.800 3.500 4.100 3.818 3.790 3.835 . 0 0 "[ . ]" 1
250 1 14 G H3' 1 14 G H4' 2.650 2.250 3.050 3.036 3.033 3.040 . 0 0 "[ . ]" 1
251 1 14 G H3' 1 14 G H5' 3.650 . 4.350 3.582 3.502 3.650 . 0 0 "[ . ]" 1
252 1 14 G H3' 1 14 G H5'' 3.650 . 4.350 2.531 2.236 2.859 . 0 0 "[ . ]" 1
253 1 14 G H4' 1 14 G H5' 2.600 . 3.400 2.300 2.201 2.414 . 0 0 "[ . ]" 1
254 1 14 G H4' 1 14 G H5'' 2.300 . 2.800 2.700 2.498 2.902 0.102 3 0 "[ . ]" 1
255 1 14 G H2' 1 15 G Q5' 2.600 . 3.400 3.797 3.402 4.254 0.854 5 3 "[* +-]" 1
256 1 14 G H3' 1 15 G H4' 5.000 . 6.200 5.271 5.205 5.335 . 0 0 "[ . ]" 1
257 1 14 G H4' 1 15 G H4' 5.100 . 6.700 6.010 5.842 6.196 . 0 0 "[ . ]" 1
258 1 14 G H1 1 15 G H1 4.600 . 5.700 4.304 4.079 4.538 . 0 0 "[ . ]" 1
259 1 15 G H8 1 16 U H6 4.000 2.800 4.800 4.795 4.679 4.911 0.111 1 0 "[ . ]" 1
260 1 15 G H8 1 16 U H5 4.400 . 5.500 4.569 4.318 4.829 . 0 0 "[ . ]" 1
261 1 15 G H1' 1 15 G H8 3.800 . 4.600 3.857 3.852 3.859 . 0 0 "[ . ]" 1
262 1 15 G H3' 1 15 G H8 2.500 . 3.800 2.436 2.405 2.460 . 0 0 "[ . ]" 1
263 1 15 G Q5' 1 15 G H8 3.000 . 4.000 3.548 3.530 3.576 . 0 0 "[ . ]" 1
264 1 15 G H1' 1 16 U H6 4.400 . 5.500 5.320 5.265 5.449 . 0 0 "[ . ]" 1
265 1 15 G H2' 1 16 U H6 3.000 . 3.500 2.587 2.539 2.690 . 0 0 "[ . ]" 1
266 1 15 G H2' 1 16 U H5 5.300 . 6.900 4.191 4.064 4.255 . 0 0 "[ . ]" 1
267 1 15 G H1' 1 15 G H2' 2.800 2.400 3.000 2.753 2.747 2.760 . 0 0 "[ . ]" 1
268 1 15 G H1' 1 15 G H3' 3.900 3.400 4.400 3.825 3.816 3.829 . 0 0 "[ . ]" 1
269 1 15 G H1' 1 15 G H4' 3.400 2.900 3.700 3.378 3.366 3.388 . 0 0 "[ . ]" 1
270 1 15 G H2' 1 15 G H4' 3.800 3.500 4.100 3.839 3.831 3.845 . 0 0 "[ . ]" 1
271 1 15 G H3' 1 15 G H4' 3.000 2.500 3.500 3.034 3.031 3.036 . 0 0 "[ . ]" 1
272 1 15 G H4' 1 15 G Q5' 2.600 . 3.400 2.180 2.171 2.188 . 0 0 "[ . ]" 1
273 1 15 G H2' 1 16 U H5' 2.600 . 3.400 3.186 3.075 3.453 0.053 4 0 "[ . ]" 1
274 1 15 G H2' 1 16 U H5'' 4.300 . 5.400 4.341 4.150 4.597 . 0 0 "[ . ]" 1
275 1 15 G H1 1 16 U H3 4.000 . 4.800 4.779 4.339 5.172 0.372 3 0 "[ . ]" 1
276 1 16 U H6 1 17 A H8 4.400 3.900 5.500 5.702 5.565 5.844 0.344 2 0 "[ . ]" 1
277 1 16 U H1' 1 16 U H6 3.600 . 4.300 3.667 3.650 3.675 . 0 0 "[ . ]" 1
278 1 16 U H4' 1 16 U H6 3.600 . 4.300 4.023 4.009 4.040 . 0 0 "[ . ]" 1
279 1 16 U H1' 1 17 A H8 4.600 . 5.700 6.713 6.492 6.984 1.284 2 6 [*+***-] 1
280 1 16 U H2' 1 17 A H8 2.800 . 3.200 4.037 3.820 4.314 1.114 2 6 [*+***-] 1
281 1 16 U H3' 1 17 A H8 2.600 . 3.000 3.729 3.507 3.962 0.962 2 6 [*+***-] 1
282 1 16 U H1' 1 16 U H2' 2.800 2.400 3.000 2.764 2.754 2.770 . 0 0 "[ . ]" 1
283 1 16 U H1' 1 16 U H3' 3.900 3.400 4.400 3.837 3.822 3.845 . 0 0 "[ . ]" 1
284 1 16 U H1' 1 16 U H4' 3.400 2.900 3.700 3.348 3.335 3.364 . 0 0 "[ . ]" 1
285 1 16 U H2' 1 16 U H3' 2.400 2.100 2.700 2.348 2.344 2.352 . 0 0 "[ . ]" 1
286 1 16 U H2' 1 16 U H4' 3.800 3.500 4.100 3.845 3.839 3.855 . 0 0 "[ . ]" 1
287 1 16 U H3' 1 16 U H4' 3.000 2.500 3.500 3.033 3.031 3.035 . 0 0 "[ . ]" 1
288 1 16 U H4' 1 16 U H5' 2.600 . 3.000 2.398 2.366 2.457 . 0 0 "[ . ]" 1
289 1 16 U H4' 1 16 U H5'' 2.300 . 2.600 2.555 2.486 2.596 . 0 0 "[ . ]" 1
290 1 16 U H2' 1 17 A H5' 4.900 . 6.100 4.082 3.796 4.253 . 0 0 "[ . ]" 1
291 1 16 U H1' 1 17 A H1' 4.500 . 5.600 5.853 5.653 6.119 0.519 2 1 "[ + . ]" 1
292 1 16 U H2' 1 17 A H1' 4.000 . 4.800 3.531 3.403 3.723 . 0 0 "[ . ]" 1
293 1 16 U H2' 1 17 A H2' 5.000 2.300 6.200 4.794 4.717 4.888 . 0 0 "[ . ]" 1
294 1 16 U H2' 1 17 A H3' 5.000 . 6.200 5.632 5.550 5.675 . 0 0 "[ . ]" 1
295 1 16 U H2' 1 17 A H4' 4.800 . 6.000 4.010 3.852 4.106 . 0 0 "[ . ]" 1
296 1 16 U H3' 1 17 A H1' 4.200 . 5.200 5.265 5.196 5.345 0.145 2 0 "[ . ]" 1
297 1 16 U H3 1 17 A H2 3.500 . 4.000 2.980 2.811 3.252 . 0 0 "[ . ]" 1
298 1 17 A H8 1 18 A H8 4.500 . 6.000 6.780 6.633 6.895 0.895 5 6 [****+-] 1
299 1 7 C H5 1 17 A H2 5.500 . 7.200 6.226 6.040 6.565 . 0 0 "[ . ]" 1
300 1 17 A H1' 1 17 A H8 3.800 . 4.600 3.877 3.866 3.885 . 0 0 "[ . ]" 1
301 1 17 A H2' 1 17 A H8 2.200 . 2.500 2.187 2.093 2.268 . 0 0 "[ . ]" 1
302 1 17 A H3' 1 17 A H8 2.400 . 3.700 4.124 4.021 4.179 0.479 2 0 "[ . ]" 1
303 1 17 A H4' 1 17 A H8 4.200 . 5.200 4.739 4.679 4.885 . 0 0 "[ . ]" 1
304 1 17 A H1' 1 17 A H2 5.300 . 6.900 4.516 4.493 4.530 . 0 0 "[ . ]" 1
305 1 17 A H1' 1 18 A H8 4.200 3.200 5.200 3.397 3.237 3.453 . 0 0 "[ . ]" 1
306 1 17 A H3' 1 18 A H8 3.800 . 4.600 4.418 4.295 4.506 . 0 0 "[ . ]" 1
307 1 17 A H1' 1 17 A H2' 3.030 2.530 3.530 3.009 3.001 3.013 . 0 0 "[ . ]" 1
308 1 17 A H1' 1 17 A H3' 3.900 3.400 4.400 3.911 3.886 3.940 . 0 0 "[ . ]" 1
309 1 17 A H1' 1 17 A H4' 3.600 3.100 3.900 3.598 3.578 3.640 . 0 0 "[ . ]" 1
310 1 17 A H2' 1 17 A H3' 2.400 2.100 2.700 2.345 2.327 2.356 . 0 0 "[ . ]" 1
311 1 17 A H2' 1 17 A H4' 3.900 3.600 4.200 3.838 3.826 3.846 . 0 0 "[ . ]" 1
312 1 17 A H3' 1 17 A H4' 2.650 2.150 3.050 2.715 2.714 2.719 . 0 0 "[ . ]" 1
313 1 17 A H4' 1 17 A H5' 2.600 . 3.000 2.305 2.297 2.322 . 0 0 "[ . ]" 1
314 1 17 A H4' 1 17 A H5'' 2.300 . 2.800 2.677 2.650 2.686 . 0 0 "[ . ]" 1
315 1 17 A H2' 1 18 A Q5' 4.900 . 6.100 6.269 5.986 6.413 0.313 1 0 "[ . ]" 1
316 1 9 G H1' 1 17 A H2 5.500 . 7.200 7.158 7.068 7.240 0.040 5 0 "[ . ]" 1
317 1 17 A H2' 1 18 A H2' 5.000 . 6.500 7.440 7.042 7.653 1.153 2 6 [*+***-] 1
318 1 17 A H4' 1 18 A H8 3.000 . 4.200 4.229 4.175 4.289 0.089 3 0 "[ . ]" 1
319 1 17 A H3' 1 17 A H5' 3.800 . 4.600 3.467 3.440 3.501 . 0 0 "[ . ]" 1
320 1 17 A H3' 1 17 A H5'' 3.800 . 4.600 2.132 2.099 2.162 . 0 0 "[ . ]" 1
321 1 18 A H8 1 19 G H8 4.500 3.300 5.300 4.249 4.137 4.531 . 0 0 "[ . ]" 1
322 1 18 A H1' 1 18 A H8 3.800 . 4.600 3.756 3.743 3.767 . 0 0 "[ . ]" 1
323 1 18 A H2' 1 18 A H8 3.800 . 4.600 3.882 3.853 3.919 . 0 0 "[ . ]" 1
324 1 18 A Q5' 1 18 A H8 3.400 . 4.100 3.399 3.343 3.523 . 0 0 "[ . ]" 1
325 1 18 A H1' 1 19 G H8 3.800 . 4.600 4.666 4.596 4.751 0.151 6 0 "[ . ]" 1
326 1 18 A H2' 1 19 G H8 2.200 . 2.500 2.139 2.100 2.173 . 0 0 "[ . ]" 1
327 1 18 A H3' 1 19 G H8 2.600 2.200 3.000 2.796 2.695 2.919 . 0 0 "[ . ]" 1
328 1 18 A H1' 1 18 A H2' 2.800 2.400 3.000 2.751 2.748 2.759 . 0 0 "[ . ]" 1
329 1 18 A H1' 1 18 A H3' 3.900 3.400 4.400 3.822 3.814 3.830 . 0 0 "[ . ]" 1
330 1 18 A H1' 1 18 A H4' 3.400 2.900 3.700 3.376 3.346 3.392 . 0 0 "[ . ]" 1
331 1 18 A H2' 1 18 A H3' 2.600 2.200 3.000 2.351 2.348 2.354 . 0 0 "[ . ]" 1
332 1 18 A H2' 1 18 A H4' 3.800 3.500 4.100 3.835 3.828 3.844 . 0 0 "[ . ]" 1
333 1 18 A H3' 1 18 A H4' 3.000 2.500 3.500 3.035 3.034 3.035 . 0 0 "[ . ]" 1
334 1 18 A H4' 1 18 A Q5' 2.600 . 2.800 2.197 2.194 2.199 . 0 0 "[ . ]" 1
335 1 18 A H2' 1 19 G H5' 2.600 . 3.000 3.043 2.960 3.135 0.135 2 0 "[ . ]" 1
336 1 18 A H2' 1 19 G H5'' 4.300 . 5.400 4.215 4.156 4.279 . 0 0 "[ . ]" 1
337 1 18 A H2 1 19 G H1' 2.600 2.200 3.000 2.818 2.756 2.902 . 0 0 "[ . ]" 1
338 1 18 A H1' 1 19 G H1' 4.800 . 5.800 4.923 4.850 4.977 . 0 0 "[ . ]" 1
339 1 18 A H2' 1 19 G H1' 4.400 . 5.500 3.503 3.438 3.562 . 0 0 "[ . ]" 1
340 1 18 A H2' 1 18 A Q5' 4.200 . 5.200 4.551 4.534 4.566 . 0 0 "[ . ]" 1
341 1 18 A C6 1 19 G C6 4.500 4.000 4.800 4.715 4.257 4.959 0.159 6 0 "[ . ]" 1
342 1 19 G H8 1 20 U H5 3.600 . 4.600 4.255 3.993 4.538 . 0 0 "[ . ]" 1
343 1 19 G H1' 1 19 G H8 3.900 . 4.900 3.621 3.583 3.671 . 0 0 "[ . ]" 1
344 1 19 G H3' 1 19 G H8 2.800 . 4.200 3.518 3.369 3.629 . 0 0 "[ . ]" 1
345 1 19 G H4' 1 19 G H8 4.000 . 4.800 4.497 4.463 4.533 . 0 0 "[ . ]" 1
346 1 19 G H1' 1 20 U H6 4.600 . 5.700 5.109 5.080 5.148 . 0 0 "[ . ]" 1
347 1 19 G H2' 1 20 U H6 2.600 2.200 3.000 2.577 2.507 2.662 . 0 0 "[ . ]" 1
348 1 19 G H3' 1 20 U H5 4.500 2.200 5.600 3.087 2.982 3.242 . 0 0 "[ . ]" 1
349 1 19 G H3' 1 20 U H6 4.000 . 4.800 2.482 2.309 2.633 . 0 0 "[ . ]" 1
350 1 19 G H1' 1 19 G H2' 2.800 2.400 3.000 2.763 2.761 2.765 . 0 0 "[ . ]" 1
351 1 19 G H1' 1 19 G H3' 3.900 3.400 4.400 3.831 3.827 3.835 . 0 0 "[ . ]" 1
352 1 19 G H1' 1 19 G H4' 3.400 2.900 3.700 3.341 3.335 3.347 . 0 0 "[ . ]" 1
353 1 19 G H2' 1 19 G H3' 2.400 2.100 2.700 2.347 2.346 2.348 . 0 0 "[ . ]" 1
354 1 19 G H2' 1 19 G H4' 3.800 3.500 4.100 3.834 3.828 3.841 . 0 0 "[ . ]" 1
355 1 19 G H3' 1 19 G H4' 3.000 2.500 3.500 3.033 3.032 3.034 . 0 0 "[ . ]" 1
356 1 19 G H4' 1 19 G H5' 2.600 . 3.000 2.328 2.311 2.349 . 0 0 "[ . ]" 1
357 1 19 G H4' 1 19 G H5'' 2.300 . 2.600 2.595 2.565 2.617 0.017 2 0 "[ . ]" 1
358 1 19 G H2' 1 20 U H5' 2.600 . 3.000 2.659 2.493 2.831 . 0 0 "[ . ]" 1
359 1 19 G H2' 1 20 U H5'' 4.300 . 5.400 4.157 4.066 4.253 . 0 0 "[ . ]" 1
360 1 19 G H1' 1 20 U H1' 5.500 4.300 6.800 6.021 5.847 6.137 . 0 0 "[ . ]" 1
361 1 19 G H1' 1 20 U H5 4.900 3.500 6.500 6.161 5.947 6.434 . 0 0 "[ . ]" 1
362 1 19 G H4' 1 20 U H6 5.300 . 6.900 5.335 5.232 5.407 . 0 0 "[ . ]" 1
363 1 20 U H6 1 21 C H6 4.500 3.500 5.700 4.871 4.361 5.528 . 0 0 "[ . ]" 1
364 1 20 U H6 1 21 C H5 3.800 . 5.600 4.083 3.375 5.066 . 0 0 "[ . ]" 1
365 1 20 U H1' 1 20 U H6 3.800 . 4.600 3.595 3.508 3.654 . 0 0 "[ . ]" 1
366 1 20 U H2' 1 20 U H6 4.000 . 4.800 3.728 3.545 3.962 . 0 0 "[ . ]" 1
367 1 20 U H3' 1 20 U H6 2.900 2.400 3.400 2.802 2.547 3.164 . 0 0 "[ . ]" 1
368 1 20 U H4' 1 20 U H6 4.100 . 5.100 4.053 4.027 4.113 . 0 0 "[ . ]" 1
369 1 20 U H5' 1 20 U H6 4.200 . 5.200 3.510 3.471 3.604 . 0 0 "[ . ]" 1
370 1 20 U H1' 1 20 U H5 4.200 2.200 5.200 5.351 5.293 5.391 0.191 6 0 "[ . ]" 1
371 1 20 U H1' 1 21 C H6 4.600 . 5.700 4.982 4.842 5.098 . 0 0 "[ . ]" 1
372 1 20 U H2' 1 21 C H6 2.300 . 2.600 2.270 2.123 2.393 . 0 0 "[ . ]" 1
373 1 20 U H2' 1 21 C H5 3.200 . 3.800 3.681 3.513 3.801 0.001 5 0 "[ . ]" 1
374 1 20 U H3' 1 21 C H5 4.600 . 5.700 3.326 3.078 3.693 . 0 0 "[ . ]" 1
375 1 20 U H3' 1 21 C H6 2.800 . 3.800 3.077 2.857 3.361 . 0 0 "[ . ]" 1
376 1 20 U H1' 1 20 U H2' 2.800 2.400 3.000 2.763 2.756 2.767 . 0 0 "[ . ]" 1
377 1 20 U H1' 1 20 U H3' 3.900 3.400 4.400 3.838 3.833 3.841 . 0 0 "[ . ]" 1
378 1 20 U H1' 1 20 U H4' 3.700 3.200 4.000 3.350 3.344 3.365 . 0 0 "[ . ]" 1
379 1 20 U H2' 1 20 U H3' 2.400 2.100 2.700 2.347 2.345 2.349 . 0 0 "[ . ]" 1
380 1 20 U H2' 1 20 U H4' 3.800 3.500 4.100 3.840 3.836 3.843 . 0 0 "[ . ]" 1
381 1 20 U H3' 1 20 U H4' 3.000 2.500 3.500 3.033 3.032 3.034 . 0 0 "[ . ]" 1
382 1 20 U H4' 1 20 U H5' 2.600 . 3.000 2.464 2.425 2.490 . 0 0 "[ . ]" 1
383 1 20 U H4' 1 20 U H5'' 2.300 . 2.600 2.478 2.452 2.521 . 0 0 "[ . ]" 1
384 1 20 U H2' 1 21 C H5' 2.600 . 3.000 3.037 2.927 3.190 0.190 2 0 "[ . ]" 1
385 1 20 U H2' 1 21 C H5'' 4.300 . 5.400 4.347 4.317 4.375 . 0 0 "[ . ]" 1
386 1 21 C H6 1 22 C H6 4.400 2.800 5.500 5.171 4.914 5.345 . 0 0 "[ . ]" 1
387 1 21 C H6 1 22 C H5 4.500 3.400 5.000 4.434 4.007 4.714 . 0 0 "[ . ]" 1
388 1 21 C H1' 1 21 C H6 3.600 . 4.300 3.651 3.637 3.661 . 0 0 "[ . ]" 1
389 1 21 C H2' 1 21 C H6 4.000 2.200 4.500 3.566 3.530 3.619 . 0 0 "[ . ]" 1
390 1 21 C H3' 1 21 C H6 2.800 2.300 3.300 2.572 2.506 2.651 . 0 0 "[ . ]" 1
391 1 21 C H4' 1 21 C H6 3.900 . 4.700 4.029 4.017 4.038 . 0 0 "[ . ]" 1
392 1 21 C H3' 1 21 C H5 4.300 2.600 5.000 4.528 4.471 4.592 . 0 0 "[ . ]" 1
393 1 21 C H1' 1 22 C H6 4.400 3.000 5.400 5.033 4.915 5.153 . 0 0 "[ . ]" 1
394 1 21 C H2' 1 22 C H6 2.300 . 2.600 2.320 2.197 2.423 . 0 0 "[ . ]" 1
395 1 21 C H2' 1 22 C H5 3.200 . 4.000 3.453 3.271 3.668 . 0 0 "[ . ]" 1
396 1 21 C H3' 1 22 C H6 3.200 . 3.800 3.547 3.398 3.640 . 0 0 "[ . ]" 1
397 1 21 C H1' 1 21 C H2' 2.800 2.400 3.000 2.765 2.762 2.766 . 0 0 "[ . ]" 1
398 1 21 C H1' 1 21 C H3' 3.900 3.400 4.400 3.838 3.836 3.842 . 0 0 "[ . ]" 1
399 1 21 C H1' 1 21 C H4' 3.400 2.900 3.700 3.346 3.341 3.351 . 0 0 "[ . ]" 1
400 1 21 C H2' 1 21 C H3' 2.600 2.200 3.000 2.346 2.344 2.348 . 0 0 "[ . ]" 1
401 1 21 C H2' 1 21 C H4' 3.800 3.500 4.100 3.844 3.842 3.849 . 0 0 "[ . ]" 1
402 1 21 C H3' 1 21 C H4' 3.000 2.500 3.500 3.034 3.033 3.035 . 0 0 "[ . ]" 1
403 1 21 C H4' 1 21 C H5' 2.600 . 3.000 2.472 2.438 2.493 . 0 0 "[ . ]" 1
404 1 21 C H4' 1 21 C H5'' 2.300 . 2.600 2.470 2.449 2.504 . 0 0 "[ . ]" 1
405 1 21 C H2' 1 22 C H5' 2.800 . 3.200 3.251 3.144 3.336 0.136 5 0 "[ . ]" 1
406 1 21 C H2' 1 22 C H5'' 4.500 . 5.600 4.520 4.434 4.612 . 0 0 "[ . ]" 1
407 1 22 C H6 1 23 C H6 4.500 3.300 5.300 5.203 5.167 5.263 . 0 0 "[ . ]" 1
408 1 22 C H1' 1 22 C H6 3.600 . 4.300 3.634 3.603 3.669 . 0 0 "[ . ]" 1
409 1 22 C H2' 1 22 C H6 4.000 . 4.500 3.614 3.475 3.733 . 0 0 "[ . ]" 1
410 1 22 C H5' 1 22 C H6 3.500 . 4.200 3.504 3.441 3.584 . 0 0 "[ . ]" 1
411 1 22 C H5'' 1 22 C H6 3.500 . 4.200 3.930 3.845 4.003 . 0 0 "[ . ]" 1
412 1 22 C H1' 1 23 C H6 4.500 2.100 5.500 4.924 4.747 5.097 . 0 0 "[ . ]" 1
413 1 22 C H2' 1 23 C H6 2.400 . 2.700 2.247 2.082 2.399 . 0 0 "[ . ]" 1
414 1 22 C H1' 1 22 C H2' 2.800 2.400 3.000 2.765 2.763 2.766 . 0 0 "[ . ]" 1
415 1 22 C H1' 1 22 C H3' 3.900 3.400 4.400 3.838 3.835 3.844 . 0 0 "[ . ]" 1
416 1 22 C H1' 1 22 C H4' 3.400 2.900 3.700 3.348 3.343 3.351 . 0 0 "[ . ]" 1
417 1 22 C H2' 1 22 C H3' 2.400 2.100 2.700 2.346 2.344 2.349 . 0 0 "[ . ]" 1
418 1 22 C H2' 1 22 C H4' 3.800 3.500 4.100 3.844 3.842 3.847 . 0 0 "[ . ]" 1
419 1 22 C H3' 1 22 C H4' 3.000 2.500 3.500 3.033 3.032 3.034 . 0 0 "[ . ]" 1
420 1 22 C H4' 1 22 C H5' 2.600 . 3.000 2.475 2.452 2.487 . 0 0 "[ . ]" 1
421 1 22 C H4' 1 22 C H5'' 2.300 . 2.600 2.467 2.456 2.486 . 0 0 "[ . ]" 1
422 1 22 C H2' 1 23 C H5' 2.600 . 3.000 3.182 3.089 3.254 0.254 3 0 "[ . ]" 1
423 1 22 C H2' 1 23 C H5'' 4.300 . 5.400 4.423 4.336 4.503 . 0 0 "[ . ]" 1
424 1 23 C H1' 1 23 C H6 3.600 . 4.300 3.678 3.668 3.689 . 0 0 "[ . ]" 1
425 1 23 C H1' 1 23 C H2' 2.800 2.400 3.000 2.765 2.764 2.768 . 0 0 "[ . ]" 1
426 1 23 C H1' 1 23 C H3' 3.900 3.400 4.400 3.840 3.839 3.841 . 0 0 "[ . ]" 1
427 1 23 C H1' 1 23 C H4' 3.400 2.900 3.700 3.339 3.332 3.344 . 0 0 "[ . ]" 1
428 1 23 C H2' 1 23 C H3' 2.400 2.100 2.700 2.346 2.344 2.347 . 0 0 "[ . ]" 1
429 1 23 C H2' 1 23 C H4' 3.800 3.500 4.100 3.841 3.836 3.845 . 0 0 "[ . ]" 1
430 1 23 C H3' 1 23 C H4' 3.000 2.500 3.500 3.034 3.033 3.035 . 0 0 "[ . ]" 1
431 1 23 C H4' 1 23 C H5' 3.500 . 4.200 2.534 2.521 2.553 . 0 0 "[ . ]" 1
432 1 23 C H4' 1 23 C H5'' 2.500 . 2.800 2.408 2.390 2.419 . 0 0 "[ . ]" 1
433 1 1 G H2' 1 1 G H8 3.800 2.400 4.400 3.653 3.288 4.026 . 0 0 "[ . ]" 1
434 1 2 G H1 1 2 G H2' 5.500 3.300 6.500 5.878 5.740 6.037 . 0 0 "[ . ]" 1
435 1 2 G H1 1 3 G H1' 5.000 3.800 5.500 5.168 4.933 5.434 . 0 0 "[ . ]" 1
436 1 2 G H1 1 22 C H5 4.700 . 5.900 5.079 4.843 5.354 . 0 0 "[ . ]" 1
437 1 2 G H1 1 23 C H5 4.400 . 5.400 4.909 4.285 5.470 0.070 4 0 "[ . ]" 1
438 1 2 G H2' 1 2 G H8 3.800 2.400 4.400 3.867 3.722 3.994 . 0 0 "[ . ]" 1
439 1 3 G H1 1 21 C H5 4.800 4.000 5.800 4.999 4.899 5.117 . 0 0 "[ . ]" 1
440 1 3 G H1 1 22 C H5 4.600 4.000 5.600 4.817 4.440 5.279 . 0 0 "[ . ]" 1
441 1 3 G H3' 1 3 G H8 3.000 . 4.500 3.255 3.198 3.313 . 0 0 "[ . ]" 1
442 1 3 G H5' 1 3 G H8 3.800 . 4.600 4.084 3.973 4.198 . 0 0 "[ . ]" 1
443 1 3 G H5'' 1 3 G H8 4.500 . 5.500 4.338 4.260 4.367 . 0 0 "[ . ]" 1
444 1 4 A H2' 1 5 U H1' 4.000 . 5.000 4.827 4.682 4.952 . 0 0 "[ . ]" 1
445 1 5 U H1' 1 7 C H6 5.800 4.800 7.000 6.336 6.266 6.393 . 0 0 "[ . ]" 1
446 1 4 A H1' 1 5 U H5 5.000 3.000 6.200 5.747 5.416 6.093 . 0 0 "[ . ]" 1
447 1 5 U H1' 1 5 U H5 5.000 3.000 6.000 5.409 5.380 5.426 . 0 0 "[ . ]" 1
448 1 5 U H3' 1 5 U H5 5.000 3.000 6.200 6.404 6.331 6.502 0.302 5 0 "[ . ]" 1
449 1 6 A H2' 1 7 C H5 4.000 . 4.800 3.944 3.851 4.014 . 0 0 "[ . ]" 1
450 1 5 U H3' 1 6 A H8 4.500 . 5.500 4.416 4.167 4.778 . 0 0 "[ . ]" 1
451 1 6 A H2' 1 6 A H8 4.500 . 5.500 4.156 4.117 4.173 . 0 0 "[ . ]" 1
452 1 6 A H3' 1 6 A H8 4.500 . 5.500 3.461 3.347 3.520 . 0 0 "[ . ]" 1
453 1 6 A H4' 1 6 A H8 4.500 . 5.500 4.464 4.422 4.487 . 0 0 "[ . ]" 1
454 1 6 A H2 1 7 C H4' 5.500 4.000 7.000 5.391 5.247 5.550 . 0 0 "[ . ]" 1
455 1 7 C H6 1 8 U H6 4.500 3.000 6.000 5.356 5.235 5.508 . 0 0 "[ . ]" 1
456 1 7 C H6 1 8 U H5 4.200 . 5.200 5.187 5.091 5.258 0.058 1 0 "[ . ]" 1
457 1 7 C H5 1 19 G H1 5.000 . 5.700 4.894 4.555 5.155 . 0 0 "[ . ]" 1
458 1 6 A H2' 1 7 C H1' 4.600 2.600 5.400 3.996 3.742 4.252 . 0 0 "[ . ]" 1
459 1 7 C H2' 1 7 C H6 3.800 . 4.800 3.635 3.588 3.675 . 0 0 "[ . ]" 1
460 1 8 U H5 1 16 U H3 5.000 . 5.700 4.873 4.696 5.110 . 0 0 "[ . ]" 1
461 1 8 U H5 1 19 G H1 5.500 2.300 6.500 5.267 4.206 6.059 . 0 0 "[ . ]" 1
462 1 8 U H2' 1 8 U H5 5.200 . 6.000 5.215 5.194 5.261 . 0 0 "[ . ]" 1
463 1 8 U H3' 1 8 U H5 4.500 . 5.300 4.671 4.601 4.764 . 0 0 "[ . ]" 1
464 1 8 U H6 1 9 G H8 4.400 2.900 5.700 4.068 3.968 4.162 . 0 0 "[ . ]" 1
465 1 9 G H1 1 16 U H3 2.350 2.050 3.050 2.276 2.184 2.373 . 0 0 "[ . ]" 1
466 1 9 G H1 1 9 G H2' 5.800 3.600 6.600 5.916 5.790 6.064 . 0 0 "[ . ]" 1
467 1 9 G H1 1 16 U H1' 5.000 . 5.600 4.501 4.425 4.670 . 0 0 "[ . ]" 1
468 1 9 G H5' 1 9 G H8 3.800 . 4.800 3.634 3.535 3.729 . 0 0 "[ . ]" 1
469 1 9 G H8 1 10 C H6 5.000 3.500 6.300 4.553 4.366 4.736 . 0 0 "[ . ]" 1
470 1 10 C H6 1 11 U H6 4.700 3.100 6.200 4.212 4.160 4.295 . 0 0 "[ . ]" 1
471 1 10 C H5 1 15 G H1 4.500 . 6.000 6.030 5.950 6.087 0.087 2 0 "[ . ]" 1
472 1 10 C H5 1 16 U H3 6.000 3.300 7.000 7.078 6.770 7.327 0.327 1 0 "[ . ]" 1
473 1 10 C H3' 1 10 C H5' 3.700 . 4.700 3.626 3.576 3.650 . 0 0 "[ . ]" 1
474 1 10 C H3' 1 10 C H5'' 2.900 . 3.900 2.879 2.805 3.019 . 0 0 "[ . ]" 1
475 1 10 C H3' 1 11 U H5 4.000 . 5.000 2.977 2.792 3.154 . 0 0 "[ . ]" 1
476 1 11 U H6 1 12 U H6 4.700 3.100 7.000 7.228 6.987 7.421 0.421 6 0 "[ . ]" 1
477 1 11 U O2 1 14 G H1 2.300 2.100 3.300 3.038 2.678 3.534 0.234 6 0 "[ . ]" 1
478 1 11 U O2 1 14 G Q2 2.300 2.100 3.300 4.531 4.376 4.921 1.621 6 6 [***-*+] 1
479 1 12 U H1' 1 12 U H5' 5.000 3.500 5.800 4.441 4.346 4.748 . 0 0 "[ . ]" 1
480 1 12 U H1' 1 12 U H5'' 4.500 . 5.300 5.098 5.023 5.117 . 0 0 "[ . ]" 1
481 1 12 U H3' 1 13 C Q5' 4.800 4.200 5.600 3.629 2.900 4.236 1.300 1 3 "[+ *-]" 1
482 1 12 U H6 1 13 C H5 5.200 2.200 6.400 5.889 5.269 6.545 0.145 6 0 "[ . ]" 1
483 1 11 U H2' 1 13 C H5 3.800 . 4.800 4.377 3.220 5.725 0.925 5 2 "[- + ]" 1
484 1 11 U H1' 1 13 C H5 5.800 2.800 6.800 6.574 5.509 7.972 1.172 5 2 "[- + ]" 1
485 1 12 U H1' 1 13 C H5 4.800 . 5.800 6.197 5.702 6.671 0.871 5 3 "[* +-]" 1
486 1 12 U H2' 1 13 C H5 4.500 2.500 5.500 4.070 3.218 4.990 . 0 0 "[ . ]" 1
487 1 12 U H3' 1 13 C H5 3.500 . 4.500 2.481 2.117 2.934 . 0 0 "[ . ]" 1
488 1 13 C H1' 1 13 C Q5' 4.600 2.350 5.100 4.356 4.330 4.376 . 0 0 "[ . ]" 1
489 1 13 C H2' 1 13 C Q5' 4.000 . 4.800 3.156 2.933 3.301 . 0 0 "[ . ]" 1
490 1 13 C H3' 1 13 C Q5' 2.300 . 3.100 2.222 2.070 2.350 . 0 0 "[ . ]" 1
491 1 13 C H4' 1 14 G H8 5.000 . 6.200 4.313 3.598 4.522 . 0 0 "[ . ]" 1
492 1 13 C H6 1 14 G H8 6.500 4.000 7.500 7.334 6.807 8.190 0.690 5 2 "[- + ]" 1
493 1 13 C Q5' 1 13 C H6 5.500 4.000 6.500 3.187 3.106 3.287 0.894 1 6 [+-****] 1
494 1 13 C H1' 1 14 G H1 4.600 . 5.600 4.439 3.169 5.904 0.304 5 0 "[ . ]" 1
495 1 14 G H1 1 14 G H5' 6.000 2.300 7.000 7.146 7.002 7.257 0.257 4 0 "[ . ]" 1
496 1 14 G H1 1 15 G H8 4.800 . 5.800 5.893 5.511 6.269 0.469 3 0 "[ . ]" 1
497 1 13 C H4' 1 14 G H1' 5.200 2.400 6.200 3.999 3.615 4.224 . 0 0 "[ . ]" 1
498 1 13 C Q5' 1 14 G H1' 5.200 2.400 6.200 5.257 4.513 5.735 . 0 0 "[ . ]" 1
499 1 14 G H1' 1 14 G H5' 5.000 2.200 5.500 4.901 4.714 5.087 . 0 0 "[ . ]" 1
500 1 14 G H1' 1 14 G H5'' 5.000 2.200 5.500 5.132 5.024 5.231 . 0 0 "[ . ]" 1
501 1 13 C Q5' 1 14 G H8 5.500 4.000 6.500 5.296 4.086 5.925 . 0 0 "[ . ]" 1
502 1 15 G H1 1 16 U H1' 5.000 2.200 6.200 5.374 4.918 5.804 . 0 0 "[ . ]" 1
503 1 14 G H1' 1 15 G H1 5.200 . 6.700 7.891 7.672 8.199 1.499 2 6 [-+****] 1
504 1 16 U H1' 1 16 U H3 4.600 . 5.600 4.524 4.515 4.540 . 0 0 "[ . ]" 1
505 1 16 U H3 1 17 A H1' 4.600 . 6.000 5.870 5.733 5.974 . 0 0 "[ . ]" 1
506 1 16 U H2' 1 16 U H3 5.500 2.300 6.100 4.701 4.671 4.731 . 0 0 "[ . ]" 1
507 1 16 U H3 1 16 U H5 4.500 . 5.200 4.213 4.211 4.214 . 0 0 "[ . ]" 1
508 1 16 U H2' 1 16 U H6 4.500 . 5.300 3.504 3.464 3.569 . 0 0 "[ . ]" 1
509 1 16 U H2' 1 16 U H5 5.200 . 5.800 5.022 4.982 5.079 . 0 0 "[ . ]" 1
510 1 16 U H1' 1 17 A H4' 5.500 . 6.500 5.672 5.586 5.829 . 0 0 "[ . ]" 1
511 1 16 U H2' 1 18 A H8 5.500 4.000 7.000 6.255 6.165 6.354 . 0 0 "[ . ]" 1
512 1 18 A H1' 1 18 A Q5' 4.600 2.350 5.100 4.367 4.351 4.384 . 0 0 "[ . ]" 1
513 1 18 A H2 1 18 A H2' 5.000 4.000 6.000 4.803 4.743 4.842 . 0 0 "[ . ]" 1
514 1 18 A H2 1 19 G H8 5.000 4.000 6.000 5.347 5.279 5.421 . 0 0 "[ . ]" 1
515 1 19 G H8 1 20 U H6 4.700 3.100 6.200 4.810 4.698 4.929 . 0 0 "[ . ]" 1
516 1 17 A H2 1 19 G H1 4.900 . 5.500 4.470 3.841 4.995 . 0 0 "[ . ]" 1
517 1 19 G H1 1 19 G H2' 5.500 2.300 6.100 5.517 5.431 5.631 . 0 0 "[ . ]" 1
518 1 21 C H5 1 22 C H5 4.200 3.100 5.000 4.405 3.906 4.745 . 0 0 "[ . ]" 1
519 1 21 C H1' 1 21 C H5 5.300 2.600 6.000 5.386 5.374 5.396 . 0 0 "[ . ]" 1
520 1 22 C H5 1 23 C H5 4.100 . 4.700 4.129 3.920 4.317 . 0 0 "[ . ]" 1
521 1 23 C H2' 1 23 C H5 5.000 2.800 5.600 4.963 4.929 4.995 . 0 0 "[ . ]" 1
522 1 23 C H1' 1 23 C H5 5.500 2.300 6.300 5.406 5.399 5.411 . 0 0 "[ . ]" 1
523 1 23 C H3' 1 23 C H5 4.600 2.400 5.600 4.441 4.404 4.476 . 0 0 "[ . ]" 1
524 1 22 C H1' 1 23 C H5 5.300 2.100 5.900 5.385 5.106 5.641 . 0 0 "[ . ]" 1
525 1 22 C H2' 1 23 C H5 4.000 . 5.000 3.192 3.032 3.352 . 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 50
_Distance_constraint_stats_list.Viol_count 125
_Distance_constraint_stats_list.Viol_total 110.579
_Distance_constraint_stats_list.Viol_max 0.434
_Distance_constraint_stats_list.Viol_rms 0.0972
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0614
_Distance_constraint_stats_list.Viol_average_violations_only 0.1474
_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 3.621 0.434 2 0 "[ . ]"
1 2 G 1.267 0.196 1 0 "[ . ]"
1 3 G 1.034 0.217 3 0 "[ . ]"
1 4 A 0.583 0.183 5 0 "[ . ]"
1 7 C 3.508 0.314 4 0 "[ . ]"
1 8 U 0.111 0.076 1 0 "[ . ]"
1 9 G 1.720 0.228 4 0 "[ . ]"
1 10 C 6.585 0.388 2 0 "[ . ]"
1 15 G 6.585 0.388 2 0 "[ . ]"
1 16 U 1.720 0.228 4 0 "[ . ]"
1 17 A 0.000 0.000 . 0 "[ . ]"
1 18 A 0.111 0.076 1 0 "[ . ]"
1 19 G 3.508 0.314 4 0 "[ . ]"
1 20 U 0.583 0.183 5 0 "[ . ]"
1 21 C 1.034 0.217 3 0 "[ . ]"
1 22 C 1.267 0.196 1 0 "[ . ]"
1 23 C 3.621 0.434 2 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 N2 1 23 C O2 3.050 2.750 3.650 2.928 2.854 3.003 . 0 0 "[ . ]" 2
2 1 1 G N1 1 23 C N3 2.900 2.600 3.200 3.157 3.076 3.250 0.050 2 0 "[ . ]" 2
3 1 1 G O6 1 23 C N4 2.720 2.220 3.320 3.455 3.360 3.542 0.222 2 0 "[ . ]" 2
4 1 1 G H21 1 23 C O2 2.080 . 2.680 2.490 2.309 2.651 . 0 0 "[ . ]" 2
5 1 1 G H1 1 23 C N3 1.850 . 2.150 2.481 2.406 2.584 0.434 2 0 "[ . ]" 2
6 1 1 G O6 1 23 C H41 1.750 . 2.350 2.476 2.399 2.560 0.210 2 0 "[ . ]" 2
7 1 2 G N2 1 22 C O2 3.050 2.750 3.650 2.842 2.763 2.962 . 0 0 "[ . ]" 2
8 1 2 G N1 1 22 C N3 2.900 2.600 3.200 3.080 3.046 3.115 . 0 0 "[ . ]" 2
9 1 2 G O6 1 22 C N4 2.720 2.220 3.320 3.288 3.173 3.436 0.116 4 0 "[ . ]" 2
10 1 2 G H21 1 22 C O2 2.080 . 2.680 2.166 2.064 2.299 . 0 0 "[ . ]" 2
11 1 2 G H1 1 22 C N3 1.850 . 2.150 2.266 2.199 2.346 0.196 1 0 "[ . ]" 2
12 1 2 G O6 1 22 C H41 1.750 . 2.350 2.383 2.249 2.483 0.133 4 0 "[ . ]" 2
13 1 3 G N2 1 21 C O2 3.050 2.750 3.650 2.918 2.838 3.050 . 0 0 "[ . ]" 2
14 1 3 G N1 1 21 C N3 2.900 2.600 3.200 3.142 3.079 3.217 0.017 1 0 "[ . ]" 2
15 1 3 G O6 1 21 C N4 2.720 2.220 3.320 3.278 3.112 3.472 0.152 1 0 "[ . ]" 2
16 1 3 G H21 1 21 C O2 2.080 . 2.680 2.020 1.936 2.185 . 0 0 "[ . ]" 2
17 1 3 G H1 1 21 C N3 1.850 . 2.150 2.200 2.119 2.286 0.136 1 0 "[ . ]" 2
18 1 3 G O6 1 21 C H41 1.750 . 2.350 2.388 2.182 2.567 0.217 3 0 "[ . ]" 2
19 1 4 A C4 1 20 U N3 5.590 5.290 5.890 5.833 5.744 5.935 0.045 5 0 "[ . ]" 2
20 1 4 A N1 1 20 U N3 2.950 2.650 3.250 3.267 3.137 3.433 0.183 5 0 "[ . ]" 2
21 1 4 A N1 1 20 U C6 5.650 5.350 5.950 5.881 5.841 5.990 0.040 5 0 "[ . ]" 2
22 1 4 A N6 1 20 U O4 2.850 2.550 3.450 2.895 2.818 2.996 . 0 0 "[ . ]" 2
23 1 4 A N1 1 20 U H3 1.900 . 2.500 2.345 2.130 2.564 0.064 5 0 "[ . ]" 2
24 1 4 A H61 1 20 U O4 1.830 . 2.430 2.098 1.911 2.285 . 0 0 "[ . ]" 2
25 1 7 C O2 1 19 G N2 3.050 2.750 3.650 2.893 2.785 3.031 . 0 0 "[ . ]" 2
26 1 7 C N3 1 19 G N1 2.900 2.600 3.200 3.228 3.178 3.281 0.081 4 0 "[ . ]" 2
27 1 7 C N4 1 19 G O6 2.720 2.220 3.320 3.455 3.339 3.586 0.266 2 0 "[ . ]" 2
28 1 7 C N3 1 19 G H1 1.850 . 2.150 2.372 2.266 2.464 0.314 4 0 "[ . ]" 2
29 1 7 C H41 1 19 G O6 1.750 . 2.350 2.543 2.453 2.619 0.269 4 0 "[ . ]" 2
30 1 7 C O2 1 19 G H21 2.080 . 2.680 2.135 1.913 2.305 . 0 0 "[ . ]" 2
31 1 8 U N3 1 18 A C4 5.590 5.290 5.890 5.762 5.652 5.875 . 0 0 "[ . ]" 2
32 1 8 U N3 1 18 A N1 2.950 2.650 3.250 3.215 3.096 3.326 0.076 1 0 "[ . ]" 2
33 1 8 U C6 1 18 A N1 5.650 5.350 5.950 5.878 5.775 5.985 0.035 1 0 "[ . ]" 2
34 1 8 U O4 1 18 A N6 2.850 2.550 3.450 2.947 2.870 3.034 . 0 0 "[ . ]" 2
35 1 8 U H3 1 18 A N1 1.900 . 2.500 2.246 2.112 2.360 . 0 0 "[ . ]" 2
36 1 8 U O4 1 18 A H61 1.830 . 2.430 2.026 1.919 2.193 . 0 0 "[ . ]" 2
37 1 9 G N1 1 16 U O2 2.800 2.500 3.100 3.208 3.152 3.318 0.218 4 0 "[ . ]" 2
38 1 9 G N1 1 16 U C5 5.600 5.300 5.900 5.951 5.931 5.966 0.066 6 0 "[ . ]" 2
39 1 9 G O6 1 16 U N3 2.800 2.500 3.400 2.941 2.853 2.992 . 0 0 "[ . ]" 2
40 1 9 G H1 1 16 U O2 1.800 . 2.100 2.228 2.160 2.328 0.228 4 0 "[ . ]" 2
41 1 9 G O6 1 16 U H3 1.800 . 2.400 2.042 1.927 2.087 . 0 0 "[ . ]" 2
42 1 10 C O2 1 15 G H21 2.080 . 2.680 2.898 2.812 2.956 0.276 1 0 "[ . ]" 2
43 1 10 C N3 1 15 G H1 1.850 . 2.450 2.686 2.602 2.751 0.301 5 0 "[ . ]" 2
44 1 10 C H41 1 15 G O6 1.800 . 2.100 2.380 2.306 2.488 0.388 2 0 "[ . ]" 2
45 1 10 C O2 1 15 G N2 3.050 2.750 3.650 3.735 3.663 3.771 0.121 1 0 "[ . ]" 2
46 1 10 C N3 1 15 G N1 2.900 2.600 3.200 3.478 3.406 3.528 0.328 5 0 "[ . ]" 2
47 1 10 C N4 1 15 G O6 2.720 2.220 3.320 3.181 3.100 3.259 . 0 0 "[ . ]" 2
48 1 17 A N3 1 18 A N6 3.300 . 3.800 3.026 2.968 3.109 . 0 0 "[ . ]" 2
49 1 17 A C6 1 18 A N6 5.300 4.600 6.000 5.469 5.419 5.535 . 0 0 "[ . ]" 2
50 1 17 A N3 1 18 A H62 2.500 . 3.000 2.235 2.151 2.376 . 0 0 "[ . ]" 2
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