NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
606063 |
2nbz   |
25998 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2nbz
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 336
_Distance_constraint_stats_list.Viol_count 944
_Distance_constraint_stats_list.Viol_total 8498.903
_Distance_constraint_stats_list.Viol_max 2.092
_Distance_constraint_stats_list.Viol_rms 0.5121
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2529
_Distance_constraint_stats_list.Viol_average_violations_only 0.9003
_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 29.276 2.061 4 10 [***+******]
1 2 G 45.372 2.061 4 10 [**-+******]
1 3 G 40.403 2.043 9 10 [*-******+*]
1 4 C 36.015 1.808 6 10 [*-***+****]
1 5 U 36.593 1.808 6 10 [*****+***-]
1 6 C 36.349 1.817 10 10 [******-**+]
1 7 G 41.956 1.930 10 10 [******-**+]
1 8 G 30.805 1.930 10 10 [-********+]
1 9 U 16.807 1.344 5 10 [****+****-]
1 10 G 34.132 1.935 5 10 [-***+*****]
1 11 C 28.827 1.935 5 10 [*-**+*****]
1 12 A 26.935 1.854 9 10 [*******-+*]
1 13 C 40.391 1.854 9 10 [-*******+*]
1 14 A 42.424 1.891 2 10 [*+******-*]
1 15 U 41.742 2.021 3 10 [**+*****-*]
1 16 G 36.096 2.021 3 10 [**+***-***]
1 17 C 21.490 1.386 2 10 [*+******-*]
1 18 U 23.195 1.419 1 10 [+**-******]
1 19 U 12.053 1.427 10 10 [*****-***+]
1 20 U 14.772 1.304 10 10 [*-*******+]
1 21 A 14.810 1.174 10 10 [*-*******+]
1 22 C 22.003 1.424 2 10 [*+**-*****]
1 23 A 46.882 1.684 8 10 [******-+**]
1 24 U 38.635 1.809 9 10 [******-*+*]
1 25 G 43.721 2.009 4 10 [***+*-****]
1 26 U 44.814 2.092 7 10 [*****-+***]
1 27 G 47.508 2.092 7 10 [*****-+***]
1 28 U 32.816 1.953 3 10 [-*+*******]
1 29 U 23.515 1.185 8 10 [*******+-*]
1 30 U 18.681 1.152 7 10 [******+*-*]
1 31 A 17.569 1.433 9 10 [******-*+*]
1 32 G 3.376 0.295 2 0 "[ . 1]"
1 33 U 21.902 1.399 7 10 [-*****+***]
1 34 C 32.430 1.762 8 10 [-******+**]
1 35 G 24.314 1.762 8 10 [-******+**]
1 36 A 28.730 1.888 9 10 [***-****+*]
1 37 G 44.846 1.888 9 10 [***-****+*]
1 38 C 41.255 1.852 7 10 [****-*+***]
1 39 C 41.878 2.005 7 10 [****-*+***]
1 40 C 29.546 2.005 7 10 [******+-**]
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 1 G HO2' 3.000 . 4.000 5.323 4.963 5.630 1.630 3 10 [**+-******] 1
2 1 1 G H3' 1 1 G H8 2.000 . 3.000 2.971 2.938 3.007 0.007 8 0 "[ . 1]" 1
3 1 1 G H3' 1 1 G H5'' 2.300 . 3.300 2.998 2.988 3.009 . 0 0 "[ . 1]" 1
4 1 1 G H4' 1 1 G H5' 1.700 . 2.700 2.471 2.467 2.473 . 0 0 "[ . 1]" 1
5 1 1 G H4' 1 1 G H5'' 1.700 . 2.700 2.362 2.358 2.366 . 0 0 "[ . 1]" 1
6 1 1 G H8 1 2 G H8 4.000 . 5.000 4.670 4.623 4.706 . 0 0 "[ . 1]" 1
7 1 1 G HO2' 1 2 G H8 1.700 . 2.700 4.304 3.803 4.761 2.061 4 10 [**-+******] 1
8 1 1 G H3' 1 2 G H8 2.300 . 3.300 3.016 2.980 3.058 . 0 0 "[ . 1]" 1
9 1 2 G H8 1 2 G HO2' 3.000 . 4.000 5.448 5.100 5.638 1.638 3 10 [**+*****-*] 1
10 1 2 G H3' 1 2 G H8 2.000 . 3.000 3.055 3.042 3.065 0.065 10 0 "[ . 1]" 1
11 1 2 G H3' 1 2 G H5'' 2.300 . 3.300 3.033 3.020 3.048 . 0 0 "[ . 1]" 1
12 1 2 G H4' 1 2 G H5' 1.700 . 2.700 2.476 2.474 2.480 . 0 0 "[ . 1]" 1
13 1 2 G H4' 1 2 G H5'' 1.700 . 2.700 2.373 2.368 2.376 . 0 0 "[ . 1]" 1
14 1 2 G H8 1 3 G H8 4.000 . 5.000 4.708 4.689 4.727 . 0 0 "[ . 1]" 1
15 1 2 G HO2' 1 3 G H8 1.700 . 2.700 4.131 3.704 4.743 2.043 9 10 [**-*****+*] 1
16 1 2 G H3' 1 3 G H8 2.300 . 3.300 3.173 3.151 3.186 . 0 0 "[ . 1]" 1
17 1 3 G H8 1 3 G HO2' 3.000 . 4.000 5.408 5.114 5.641 1.641 2 10 [*+*-******] 1
18 1 3 G H3' 1 3 G H8 2.000 . 3.000 3.057 3.045 3.069 0.069 1 0 "[ . 1]" 1
19 1 3 G H3' 1 3 G H5'' 2.300 . 3.300 3.042 3.036 3.048 . 0 0 "[ . 1]" 1
20 1 3 G H4' 1 3 G H5' 1.700 . 2.700 2.480 2.478 2.482 . 0 0 "[ . 1]" 1
21 1 3 G H4' 1 3 G H5'' 1.700 . 2.700 2.372 2.369 2.376 . 0 0 "[ . 1]" 1
22 1 3 G H8 1 4 C H5 4.000 . 5.000 4.160 4.126 4.191 . 0 0 "[ . 1]" 1
23 1 3 G H8 1 4 C H6 4.000 . 5.000 4.975 4.962 4.995 . 0 0 "[ . 1]" 1
24 1 3 G HO2' 1 4 C H6 1.700 . 2.700 3.844 3.344 4.299 1.599 4 10 [*-*+******] 1
25 1 3 G H3' 1 4 C H6 2.300 . 3.300 3.224 3.209 3.244 . 0 0 "[ . 1]" 1
26 1 4 C H6 1 4 C HO2' 3.000 . 4.000 5.074 4.835 5.314 1.314 10 10 [***-*****+] 1
27 1 4 C H3' 1 4 C H6 2.000 . 3.000 2.780 2.761 2.806 . 0 0 "[ . 1]" 1
28 1 4 C H3' 1 4 C H5'' 2.300 . 3.300 3.032 3.026 3.039 . 0 0 "[ . 1]" 1
29 1 4 C H4' 1 4 C H5' 1.700 . 2.700 2.474 2.470 2.477 . 0 0 "[ . 1]" 1
30 1 4 C H4' 1 4 C H5'' 1.700 . 2.700 2.377 2.374 2.380 . 0 0 "[ . 1]" 1
31 1 4 C H6 1 5 U H5 4.000 . 5.000 4.011 3.990 4.033 . 0 0 "[ . 1]" 1
32 1 4 C H6 1 5 U H6 4.000 . 5.000 4.841 4.815 4.862 . 0 0 "[ . 1]" 1
33 1 4 C HO2' 1 5 U H6 1.700 . 2.700 4.084 3.481 4.508 1.808 6 10 [*****+***-] 1
34 1 4 C H3' 1 5 U H6 2.300 . 3.300 3.256 3.226 3.275 . 0 0 "[ . 1]" 1
35 1 5 U H6 1 5 U HO2' 3.000 . 4.000 5.103 4.817 5.436 1.436 2 10 [-+********] 1
36 1 5 U H3' 1 5 U H6 2.000 . 3.000 2.823 2.797 2.844 . 0 0 "[ . 1]" 1
37 1 5 U H3' 1 5 U H5'' 2.300 . 3.300 3.046 3.034 3.055 . 0 0 "[ . 1]" 1
38 1 5 U H4' 1 5 U H5' 1.700 . 2.700 2.482 2.478 2.487 . 0 0 "[ . 1]" 1
39 1 5 U H4' 1 5 U H5'' 1.700 . 2.700 2.369 2.366 2.372 . 0 0 "[ . 1]" 1
40 1 5 U H6 1 6 C H5 4.000 . 5.000 3.950 3.882 4.002 . 0 0 "[ . 1]" 1
41 1 5 U H6 1 6 C H6 4.000 . 5.000 4.829 4.803 4.847 . 0 0 "[ . 1]" 1
42 1 5 U HO2' 1 6 C H6 1.700 . 2.700 3.872 3.124 4.453 1.753 5 7 "[* * +* -**]" 1
43 1 5 U H3' 1 6 C H6 2.300 . 3.300 3.210 3.193 3.238 . 0 0 "[ . 1]" 1
44 1 6 C H6 1 6 C HO2' 3.000 . 4.000 5.131 4.814 5.474 1.474 1 10 [+******-**] 1
45 1 6 C H3' 1 6 C H6 2.000 . 3.000 2.841 2.799 2.881 . 0 0 "[ . 1]" 1
46 1 6 C H3' 1 6 C H5'' 2.300 . 3.300 3.041 3.027 3.050 . 0 0 "[ . 1]" 1
47 1 6 C H4' 1 6 C H5' 1.700 . 2.700 2.483 2.478 2.486 . 0 0 "[ . 1]" 1
48 1 6 C H4' 1 6 C H5'' 1.700 . 2.700 2.368 2.365 2.374 . 0 0 "[ . 1]" 1
49 1 6 C H6 1 7 G H8 4.000 . 5.000 4.670 4.629 4.716 . 0 0 "[ . 1]" 1
50 1 6 C HO2' 1 7 G H8 1.700 . 2.700 4.032 3.361 4.517 1.817 10 10 [******-**+] 1
51 1 6 C H3' 1 7 G H8 2.300 . 3.300 3.168 3.142 3.200 . 0 0 "[ . 1]" 1
52 1 7 G H8 1 7 G HO2' 3.000 . 4.000 5.160 5.047 5.410 1.410 1 10 [+****-****] 1
53 1 7 G H3' 1 7 G H8 2.000 . 3.000 3.081 3.072 3.098 0.098 3 0 "[ . 1]" 1
54 1 7 G H3' 1 7 G H5'' 2.300 . 3.300 3.051 3.045 3.058 . 0 0 "[ . 1]" 1
55 1 7 G H4' 1 7 G H5' 1.700 . 2.700 2.480 2.476 2.485 . 0 0 "[ . 1]" 1
56 1 7 G H4' 1 7 G H5'' 1.700 . 2.700 2.365 2.358 2.368 . 0 0 "[ . 1]" 1
57 1 7 G H8 1 8 G H8 4.000 . 5.000 4.983 4.950 5.060 0.060 10 0 "[ . 1]" 1
58 1 7 G HO2' 1 8 G H8 1.700 . 2.700 4.305 3.605 4.630 1.930 10 10 [-********+] 1
59 1 7 G H3' 1 8 G H8 2.300 . 3.300 3.299 3.257 3.350 0.050 10 0 "[ . 1]" 1
60 1 8 G H8 1 8 G HO2' 3.000 . 4.000 5.322 5.062 5.661 1.661 4 10 [***+***-**] 1
61 1 8 G H3' 1 8 G H8 2.000 . 3.000 3.067 3.031 3.088 0.088 9 0 "[ . 1]" 1
62 1 8 G H3' 1 8 G H5'' 2.300 . 3.300 3.019 3.006 3.027 . 0 0 "[ . 1]" 1
63 1 8 G H4' 1 8 G H5' 1.700 . 2.700 2.472 2.470 2.475 . 0 0 "[ . 1]" 1
64 1 8 G H4' 1 8 G H5'' 1.700 . 2.700 2.387 2.384 2.390 . 0 0 "[ . 1]" 1
65 1 8 G H8 1 9 U H6 4.500 4.000 5.000 4.573 4.427 4.654 . 0 0 "[ . 1]" 1
66 1 8 G H8 1 9 U H5 3.500 3.000 4.000 3.994 3.727 4.333 0.333 10 0 "[ . 1]" 1
67 1 8 G HO2' 1 9 U H1' 5.000 5.000 15.000 6.591 5.620 7.110 . 0 0 "[ . 1]" 1
68 1 9 U H6 1 9 U HO2' 3.000 . 4.000 4.861 4.572 5.344 1.344 5 10 [****+****-] 1
69 1 9 U H3' 1 9 U H6 2.000 . 3.000 3.007 2.900 3.273 0.273 10 0 "[ . 1]" 1
70 1 9 U H3' 1 9 U H5'' 2.300 . 3.300 2.849 2.445 2.975 . 0 0 "[ . 1]" 1
71 1 9 U H4' 1 9 U H5' 1.700 . 2.700 2.452 2.373 2.476 . 0 0 "[ . 1]" 1
72 1 9 U H4' 1 9 U H5'' 1.700 . 2.700 2.495 2.363 2.984 0.284 8 0 "[ . 1]" 1
73 1 9 U H6 1 10 G H8 5.000 3.000 6.000 5.332 4.950 5.682 . 0 0 "[ . 1]" 1
74 1 9 U HO2' 1 10 G H8 3.300 2.300 4.300 4.940 4.272 5.448 1.148 10 7 "[- **.** *+]" 1
75 1 10 G H8 1 10 G HO2' 3.000 . 4.000 5.107 4.903 5.261 1.261 10 10 [****-****+] 1
76 1 10 G H3' 1 10 G H8 2.000 . 3.000 2.917 2.830 3.018 0.018 1 0 "[ . 1]" 1
77 1 10 G H3' 1 10 G H5'' 2.300 . 3.300 2.938 2.830 2.975 . 0 0 "[ . 1]" 1
78 1 10 G H4' 1 10 G H5' 1.700 . 2.700 2.451 2.390 2.470 . 0 0 "[ . 1]" 1
79 1 10 G H4' 1 10 G H5'' 1.700 . 2.700 2.393 2.371 2.467 . 0 0 "[ . 1]" 1
80 1 10 G H8 1 11 C H5 4.000 . 5.000 4.122 4.075 4.158 . 0 0 "[ . 1]" 1
81 1 10 G H8 1 11 C H6 4.000 . 5.000 4.847 4.769 4.942 . 0 0 "[ . 1]" 1
82 1 10 G HO2' 1 11 C H6 1.700 . 2.700 4.362 4.121 4.635 1.935 5 10 [***-+*****] 1
83 1 10 G H3' 1 11 C H6 2.300 . 3.300 2.852 2.815 2.891 . 0 0 "[ . 1]" 1
84 1 11 C H6 1 11 C HO2' 3.000 . 4.000 4.984 4.734 5.310 1.310 1 10 [+-********] 1
85 1 11 C H3' 1 11 C H6 2.000 . 3.000 2.789 2.757 2.828 . 0 0 "[ . 1]" 1
86 1 11 C H3' 1 11 C H5'' 2.300 . 3.300 3.002 2.994 3.017 . 0 0 "[ . 1]" 1
87 1 11 C H4' 1 11 C H5' 1.700 . 2.700 2.472 2.468 2.477 . 0 0 "[ . 1]" 1
88 1 11 C H4' 1 11 C H5'' 1.700 . 2.700 2.381 2.374 2.389 . 0 0 "[ . 1]" 1
89 1 11 C H6 1 12 A H8 4.000 . 5.000 4.677 4.636 4.737 . 0 0 "[ . 1]" 1
90 1 11 C H3' 1 12 A H8 2.300 . 3.300 3.049 2.995 3.120 . 0 0 "[ . 1]" 1
91 1 12 A H8 1 12 A HO2' 3.000 . 4.000 5.248 5.053 5.491 1.491 8 10 [*******+-*] 1
92 1 12 A H3' 1 12 A H8 2.000 . 3.000 3.007 2.961 3.028 0.028 9 0 "[ . 1]" 1
93 1 12 A H3' 1 12 A H5'' 2.300 . 3.300 3.037 3.030 3.044 . 0 0 "[ . 1]" 1
94 1 12 A H4' 1 12 A H5' 1.700 . 2.700 2.481 2.479 2.485 . 0 0 "[ . 1]" 1
95 1 12 A H4' 1 12 A H5'' 1.700 . 2.700 2.370 2.366 2.376 . 0 0 "[ . 1]" 1
96 1 12 A H2 1 13 C H1' 4.000 . 5.000 3.596 3.499 3.704 . 0 0 "[ . 1]" 1
97 1 12 A H2 1 27 G H1' 4.000 . 5.000 3.256 3.179 3.345 . 0 0 "[ . 1]" 1
98 1 12 A H8 1 13 C H5 4.000 . 5.000 3.998 3.908 4.068 . 0 0 "[ . 1]" 1
99 1 12 A H8 1 13 C H6 4.000 . 5.000 4.873 4.788 4.905 . 0 0 "[ . 1]" 1
100 1 12 A HO2' 1 13 C H6 1.700 . 2.700 4.133 3.644 4.554 1.854 9 10 [*******-+*] 1
101 1 12 A H3' 1 13 C H6 2.300 . 3.300 3.131 3.085 3.164 . 0 0 "[ . 1]" 1
102 1 13 C H6 1 13 C HO2' 3.000 . 4.000 5.122 4.936 5.259 1.259 8 10 [-******+**] 1
103 1 13 C H3' 1 13 C H6 2.000 . 3.000 2.765 2.749 2.787 . 0 0 "[ . 1]" 1
104 1 13 C H3' 1 13 C H5'' 2.300 . 3.300 3.024 3.017 3.033 . 0 0 "[ . 1]" 1
105 1 13 C H4' 1 13 C H5' 1.700 . 2.700 2.476 2.473 2.480 . 0 0 "[ . 1]" 1
106 1 13 C H4' 1 13 C H5'' 1.700 . 2.700 2.374 2.371 2.377 . 0 0 "[ . 1]" 1
107 1 13 C H6 1 14 A H8 4.000 . 5.000 4.624 4.579 4.673 . 0 0 "[ . 1]" 1
108 1 13 C HO2' 1 14 A H8 1.700 . 2.700 4.184 3.903 4.496 1.796 1 10 [+******-**] 1
109 1 13 C H3' 1 14 A H8 2.300 . 3.300 3.202 3.167 3.225 . 0 0 "[ . 1]" 1
110 1 14 A H8 1 14 A HO2' 3.000 . 4.000 5.215 5.057 5.498 1.498 9 10 [*-******+*] 1
111 1 14 A H3' 1 14 A H8 2.000 . 3.000 2.973 2.947 3.023 0.023 9 0 "[ . 1]" 1
112 1 14 A H3' 1 14 A H5'' 2.300 . 3.300 3.055 3.043 3.067 . 0 0 "[ . 1]" 1
113 1 14 A H4' 1 14 A H5' 1.700 . 2.700 2.492 2.488 2.494 . 0 0 "[ . 1]" 1
114 1 14 A H4' 1 14 A H5'' 1.700 . 2.700 2.361 2.359 2.363 . 0 0 "[ . 1]" 1
115 1 14 A H2 1 15 U H1' 4.000 . 5.000 4.315 4.205 4.399 . 0 0 "[ . 1]" 1
116 1 14 A H2 1 25 G H1' 4.000 . 5.000 3.486 3.443 3.526 . 0 0 "[ . 1]" 1
117 1 14 A H8 1 15 U H5 4.000 . 5.000 3.554 3.474 3.612 . 0 0 "[ . 1]" 1
118 1 14 A H8 1 15 U H6 4.000 . 5.000 4.714 4.648 4.779 . 0 0 "[ . 1]" 1
119 1 14 A HO2' 1 15 U H6 1.700 . 2.700 4.241 3.501 4.591 1.891 2 10 [*+******-*] 1
120 1 14 A H3' 1 15 U H6 2.300 . 3.300 3.246 3.223 3.274 . 0 0 "[ . 1]" 1
121 1 15 U H6 1 15 U HO2' 3.000 . 4.000 5.057 4.811 5.396 1.396 10 10 [*******-*+] 1
122 1 15 U H3' 1 15 U H6 2.000 . 3.000 2.819 2.792 2.846 . 0 0 "[ . 1]" 1
123 1 15 U H3' 1 15 U H5'' 2.300 . 3.300 3.077 3.062 3.093 . 0 0 "[ . 1]" 1
124 1 15 U H4' 1 15 U H5' 1.700 . 2.700 2.499 2.488 2.503 . 0 0 "[ . 1]" 1
125 1 15 U H4' 1 15 U H5'' 1.700 . 2.700 2.352 2.346 2.365 . 0 0 "[ . 1]" 1
126 1 15 U H6 1 16 G H8 4.000 . 5.000 4.666 4.607 4.718 . 0 0 "[ . 1]" 1
127 1 15 U HO2' 1 16 G H8 1.700 . 2.700 4.198 3.522 4.721 2.021 3 10 [**+******-] 1
128 1 15 U H3' 1 16 G H8 2.300 . 3.300 3.251 3.174 3.305 0.005 3 0 "[ . 1]" 1
129 1 15 U H1' 1 16 G H1' 5.000 4.500 5.500 5.577 5.546 5.626 0.126 5 0 "[ . 1]" 1
130 1 16 G H8 1 16 G HO2' 3.000 . 4.000 5.261 5.072 5.618 1.618 1 10 [+**-******] 1
131 1 16 G H3' 1 16 G H8 2.000 . 3.000 3.002 2.973 3.038 0.038 3 0 "[ . 1]" 1
132 1 16 G H3' 1 16 G H5'' 2.300 . 3.300 3.038 3.032 3.047 . 0 0 "[ . 1]" 1
133 1 16 G H4' 1 16 G H5' 1.700 . 2.700 2.473 2.469 2.476 . 0 0 "[ . 1]" 1
134 1 16 G H4' 1 16 G H5'' 1.700 . 2.700 2.381 2.377 2.385 . 0 0 "[ . 1]" 1
135 1 16 G H8 1 17 C H6 4.000 3.000 5.000 4.690 4.637 4.736 . 0 0 "[ . 1]" 1
136 1 16 G H8 1 17 C H5 4.000 3.000 5.000 3.812 3.763 3.858 . 0 0 "[ . 1]" 1
137 1 17 C H6 1 17 C HO2' 3.000 . 4.000 4.879 4.814 5.049 1.049 6 10 [*****+**-*] 1
138 1 17 C H3' 1 17 C H6 2.000 . 3.000 2.816 2.770 2.859 . 0 0 "[ . 1]" 1
139 1 17 C H3' 1 17 C H5'' 2.300 . 3.300 2.990 2.981 3.006 . 0 0 "[ . 1]" 1
140 1 17 C H4' 1 17 C H5' 1.700 . 2.700 2.455 2.453 2.457 . 0 0 "[ . 1]" 1
141 1 17 C H4' 1 17 C H5'' 1.700 . 2.700 2.401 2.395 2.406 . 0 0 "[ . 1]" 1
142 1 17 C H6 1 18 U H5 4.000 3.000 5.000 4.114 4.054 4.175 . 0 0 "[ . 1]" 1
143 1 17 C H6 1 18 U H6 4.000 3.000 5.000 4.855 4.764 4.926 . 0 0 "[ . 1]" 1
144 1 17 C HO2' 1 18 U H6 2.300 . 3.300 4.570 4.409 4.686 1.386 2 10 [*+***-****] 1
145 1 17 C H3' 1 18 U H6 3.300 . 4.300 3.259 3.137 3.327 . 0 0 "[ . 1]" 1
146 1 18 U H6 1 18 U HO2' 3.000 . 4.000 5.049 4.831 5.419 1.419 1 10 [+**-******] 1
147 1 18 U H3' 1 18 U H6 2.000 . 3.000 2.817 2.690 2.904 . 0 0 "[ . 1]" 1
148 1 18 U H3' 1 18 U H5'' 2.300 . 3.300 3.033 3.024 3.040 . 0 0 "[ . 1]" 1
149 1 18 U H4' 1 18 U H5' 1.700 . 2.700 2.474 2.469 2.479 . 0 0 "[ . 1]" 1
150 1 18 U H4' 1 18 U H5'' 1.700 . 2.700 2.379 2.372 2.392 . 0 0 "[ . 1]" 1
151 1 19 U H6 1 19 U HO2' 3.000 . 4.000 5.204 4.947 5.427 1.427 10 10 [*****-***+] 1
152 1 19 U H3' 1 19 U H6 2.000 . 3.000 2.900 2.762 3.013 0.013 8 0 "[ . 1]" 1
153 1 19 U H3' 1 19 U H5'' 2.300 . 3.300 3.024 3.007 3.059 . 0 0 "[ . 1]" 1
154 1 19 U H4' 1 19 U H5' 1.700 . 2.700 2.477 2.470 2.484 . 0 0 "[ . 1]" 1
155 1 19 U H4' 1 19 U H5'' 1.700 . 2.700 2.375 2.366 2.380 . 0 0 "[ . 1]" 1
156 1 20 U H6 1 20 U HO2' 3.000 . 4.000 4.974 4.839 5.304 1.304 10 10 [*-*******+] 1
157 1 20 U H3' 1 20 U H6 2.000 . 3.000 2.682 2.508 3.017 0.017 8 0 "[ . 1]" 1
158 1 20 U H3' 1 20 U H5'' 2.300 . 3.300 2.997 2.917 3.036 . 0 0 "[ . 1]" 1
159 1 20 U H4' 1 20 U H5' 1.700 . 2.700 2.465 2.448 2.472 . 0 0 "[ . 1]" 1
160 1 20 U H4' 1 20 U H5'' 1.700 . 2.700 2.392 2.382 2.405 . 0 0 "[ . 1]" 1
161 1 20 U H6 1 21 A H8 4.000 3.000 5.000 5.502 5.426 5.562 0.562 9 6 "[*-**.* +1]" 1
162 1 20 U H3' 1 21 A H8 3.300 . 4.300 3.738 3.340 3.875 . 0 0 "[ . 1]" 1
163 1 21 A H8 1 21 A HO2' 3.000 . 4.000 4.974 4.577 5.174 1.174 10 10 [*-*******+] 1
164 1 21 A H3' 1 21 A H8 2.000 . 3.000 1.974 1.908 2.097 . 0 0 "[ . 1]" 1
165 1 21 A H3' 1 21 A H5'' 2.300 . 3.300 2.453 2.427 2.555 . 0 0 "[ . 1]" 1
166 1 21 A H4' 1 21 A H5' 1.700 . 2.700 2.276 2.262 2.323 . 0 0 "[ . 1]" 1
167 1 21 A H4' 1 21 A H5'' 1.700 . 2.700 2.627 2.559 2.649 . 0 0 "[ . 1]" 1
168 1 21 A H2 1 22 C H1' 4.000 3.000 5.000 4.313 4.101 4.435 . 0 0 "[ . 1]" 1
169 1 21 A H8 1 22 C H6 4.000 3.000 5.000 3.031 2.977 3.132 0.023 2 0 "[ . 1]" 1
170 1 21 A H8 1 22 C H5 4.000 3.000 5.000 3.180 3.123 3.258 . 0 0 "[ . 1]" 1
171 1 22 C H6 1 22 C HO2' 3.000 . 4.000 5.039 4.917 5.225 1.225 4 10 [*-*+******] 1
172 1 22 C H3' 1 22 C H6 2.000 . 3.000 3.035 3.011 3.071 0.071 9 0 "[ . 1]" 1
173 1 22 C H3' 1 22 C H5'' 2.300 . 3.300 3.072 3.061 3.087 . 0 0 "[ . 1]" 1
174 1 22 C H4' 1 22 C H5' 1.700 . 2.700 2.471 2.464 2.479 . 0 0 "[ . 1]" 1
175 1 22 C H4' 1 22 C H5'' 1.700 . 2.700 2.389 2.383 2.398 . 0 0 "[ . 1]" 1
176 1 22 C H6 1 23 A H8 4.000 3.000 5.000 4.576 4.520 4.635 . 0 0 "[ . 1]" 1
177 1 22 C HO2' 1 23 A H8 1.700 . 2.700 3.642 3.050 4.124 1.424 2 8 "[*+* -****1]" 1
178 1 22 C H3' 1 23 A H8 2.300 . 3.300 3.480 3.440 3.525 0.225 9 0 "[ . 1]" 1
179 1 23 A H8 1 23 A HO2' 3.000 . 4.000 5.275 5.100 5.620 1.620 9 10 [*******-+*] 1
180 1 23 A H3' 1 23 A H8 2.000 . 3.000 3.185 3.164 3.203 0.203 2 0 "[ . 1]" 1
181 1 23 A H3' 1 23 A H5'' 2.300 . 3.300 3.064 3.049 3.076 . 0 0 "[ . 1]" 1
182 1 23 A H4' 1 23 A H5' 1.700 . 2.700 2.480 2.475 2.485 . 0 0 "[ . 1]" 1
183 1 23 A H4' 1 23 A H5'' 1.700 . 2.700 2.366 2.360 2.373 . 0 0 "[ . 1]" 1
184 1 23 A H2 1 24 U H1' 4.000 . 5.000 3.490 3.422 3.557 . 0 0 "[ . 1]" 1
185 1 16 G H1' 1 23 A H2 4.000 . 5.000 4.868 4.779 4.955 . 0 0 "[ . 1]" 1
186 1 16 G H8 1 23 A H2 7.000 7.000 12.000 6.235 6.189 6.290 0.811 5 10 [****+*-***] 1
187 1 23 A H8 1 24 U H5 4.000 . 5.000 3.942 3.904 4.006 . 0 0 "[ . 1]" 1
188 1 23 A H8 1 24 U H6 4.000 . 5.000 4.886 4.842 4.939 . 0 0 "[ . 1]" 1
189 1 23 A HO2' 1 24 U H6 1.700 . 2.700 4.040 3.143 4.384 1.684 8 9 "[******-+ *]" 1
190 1 23 A H3' 1 24 U H6 2.300 . 3.300 3.267 3.239 3.305 0.005 3 0 "[ . 1]" 1
191 1 24 U H6 1 24 U HO2' 3.000 . 4.000 5.108 4.844 5.476 1.476 6 10 [*****+**-*] 1
192 1 24 U H3' 1 24 U H6 2.000 . 3.000 2.887 2.849 2.916 . 0 0 "[ . 1]" 1
193 1 24 U H3' 1 24 U H5'' 2.300 . 3.300 3.047 3.038 3.060 . 0 0 "[ . 1]" 1
194 1 24 U H4' 1 24 U H5' 1.700 . 2.700 2.479 2.475 2.483 . 0 0 "[ . 1]" 1
195 1 24 U H4' 1 24 U H5'' 1.700 . 2.700 2.371 2.365 2.373 . 0 0 "[ . 1]" 1
196 1 24 U H6 1 25 G H8 4.000 . 5.000 4.614 4.565 4.653 . 0 0 "[ . 1]" 1
197 1 24 U HO2' 1 25 G H8 1.700 . 2.700 4.115 3.373 4.509 1.809 9 10 [*****-**+*] 1
198 1 24 U H3' 1 25 G H8 2.300 . 3.300 3.157 3.129 3.192 . 0 0 "[ . 1]" 1
199 1 25 G H8 1 25 G HO2' 3.000 . 4.000 5.189 5.055 5.607 1.607 6 10 [***-*+****] 1
200 1 25 G H3' 1 25 G H8 2.000 . 3.000 3.071 3.058 3.086 0.086 2 0 "[ . 1]" 1
201 1 25 G H3' 1 25 G H5'' 2.300 . 3.300 3.045 3.034 3.056 . 0 0 "[ . 1]" 1
202 1 25 G H4' 1 25 G H5' 1.700 . 2.700 2.481 2.478 2.484 . 0 0 "[ . 1]" 1
203 1 25 G H4' 1 25 G H5'' 1.700 . 2.700 2.370 2.365 2.373 . 0 0 "[ . 1]" 1
204 1 25 G H8 1 26 U H5 4.000 . 5.000 4.111 4.030 4.187 . 0 0 "[ . 1]" 1
205 1 25 G H8 1 26 U H6 4.000 . 5.000 4.927 4.894 4.966 . 0 0 "[ . 1]" 1
206 1 25 G HO2' 1 26 U H6 1.700 . 2.700 4.397 3.432 4.709 2.009 4 10 [***+*-****] 1
207 1 25 G H3' 1 26 U H6 2.300 . 3.300 3.209 3.171 3.240 . 0 0 "[ . 1]" 1
208 1 26 U H6 1 26 U HO2' 3.000 . 4.000 4.899 4.803 5.068 1.068 2 10 [*+-*******] 1
209 1 26 U H3' 1 26 U H6 2.000 . 3.000 2.813 2.756 2.851 . 0 0 "[ . 1]" 1
210 1 26 U H3' 1 26 U H5'' 2.300 . 3.300 3.032 3.020 3.042 . 0 0 "[ . 1]" 1
211 1 26 U H4' 1 26 U H5' 1.700 . 2.700 2.471 2.466 2.473 . 0 0 "[ . 1]" 1
212 1 26 U H4' 1 26 U H5'' 1.700 . 2.700 2.382 2.378 2.387 . 0 0 "[ . 1]" 1
213 1 26 U H6 1 27 G H8 4.000 . 5.000 4.636 4.580 4.702 . 0 0 "[ . 1]" 1
214 1 26 U HO2' 1 27 G H8 1.700 . 2.700 4.586 4.165 4.792 2.092 7 10 [*-****+***] 1
215 1 26 U H3' 1 27 G H8 2.300 . 3.300 3.252 3.200 3.292 . 0 0 "[ . 1]" 1
216 1 27 G H8 1 27 G HO2' 3.000 . 4.000 5.174 5.047 5.424 1.424 6 10 [*****+**-*] 1
217 1 27 G H3' 1 27 G H8 2.000 . 3.000 3.022 2.979 3.042 0.042 8 0 "[ . 1]" 1
218 1 27 G H3' 1 27 G H5'' 2.300 . 3.300 3.054 3.050 3.064 . 0 0 "[ . 1]" 1
219 1 27 G H4' 1 27 G H5' 1.700 . 2.700 2.482 2.478 2.486 . 0 0 "[ . 1]" 1
220 1 27 G H4' 1 27 G H5'' 1.700 . 2.700 2.371 2.368 2.375 . 0 0 "[ . 1]" 1
221 1 27 G H8 1 28 U H5 4.000 . 5.000 3.809 3.734 3.885 . 0 0 "[ . 1]" 1
222 1 27 G H8 1 28 U H6 4.000 . 5.000 4.698 4.626 4.793 . 0 0 "[ . 1]" 1
223 1 27 G HO2' 1 28 U H6 1.700 . 2.700 4.367 3.699 4.653 1.953 3 10 [**+**-****] 1
224 1 27 G H3' 1 28 U H6 2.300 . 3.300 3.089 3.058 3.127 . 0 0 "[ . 1]" 1
225 1 28 U H6 1 28 U HO2' 3.000 . 4.000 4.984 4.770 5.143 1.143 6 10 [***-*+****] 1
226 1 28 U H3' 1 28 U H6 2.000 . 3.000 2.690 2.642 2.725 . 0 0 "[ . 1]" 1
227 1 28 U H3' 1 28 U H5'' 2.300 . 3.300 3.057 3.041 3.067 . 0 0 "[ . 1]" 1
228 1 28 U H4' 1 28 U H5' 1.700 . 2.700 2.484 2.478 2.489 . 0 0 "[ . 1]" 1
229 1 28 U H4' 1 28 U H5'' 1.700 . 2.700 2.370 2.364 2.375 . 0 0 "[ . 1]" 1
230 1 28 U H6 1 29 U H5 4.000 . 5.000 4.623 4.543 4.719 . 0 0 "[ . 1]" 1
231 1 28 U H6 1 29 U H6 4.000 . 5.000 4.997 4.914 5.076 0.076 5 0 "[ . 1]" 1
232 1 28 U HO2' 1 29 U H6 2.300 . 3.300 3.912 3.609 4.275 0.975 4 5 "[-**+. * 1]" 1
233 1 28 U H3' 1 29 U H6 3.300 . 4.300 3.253 3.203 3.367 . 0 0 "[ . 1]" 1
234 1 29 U H6 1 29 U HO2' 3.000 . 4.000 4.968 4.839 5.185 1.185 8 10 [**-****+**] 1
235 1 29 U H3' 1 29 U H6 2.000 . 3.000 2.791 2.715 2.843 . 0 0 "[ . 1]" 1
236 1 29 U H3' 1 29 U H5'' 2.300 . 3.300 2.997 2.983 3.019 . 0 0 "[ . 1]" 1
237 1 29 U H4' 1 29 U H5' 1.700 . 2.700 2.448 2.443 2.451 . 0 0 "[ . 1]" 1
238 1 29 U H4' 1 29 U H5'' 1.700 . 2.700 2.404 2.400 2.410 . 0 0 "[ . 1]" 1
239 1 29 U H6 1 30 U H5 4.000 . 5.000 4.759 4.416 5.065 0.065 5 0 "[ . 1]" 1
240 1 29 U H6 1 30 U H6 4.000 . 5.000 4.703 4.432 4.916 . 0 0 "[ . 1]" 1
241 1 29 U HO2' 1 30 U H6 2.300 . 3.300 4.044 3.598 4.343 1.043 3 7 "[ *+*** -*]" 1
242 1 29 U H3' 1 30 U H6 3.300 . 4.300 2.942 2.801 3.060 . 0 0 "[ . 1]" 1
243 1 30 U H6 1 30 U HO2' 3.000 . 4.000 4.972 4.853 5.152 1.152 7 10 [-*****+***] 1
244 1 30 U H3' 1 30 U H6 2.000 . 3.000 2.872 2.778 2.989 . 0 0 "[ . 1]" 1
245 1 30 U H3' 1 30 U H5'' 2.300 . 3.300 2.843 2.806 2.870 . 0 0 "[ . 1]" 1
246 1 30 U H4' 1 30 U H5' 1.700 . 2.700 2.390 2.377 2.404 . 0 0 "[ . 1]" 1
247 1 30 U H4' 1 30 U H5'' 1.700 . 2.700 2.480 2.469 2.493 . 0 0 "[ . 1]" 1
248 1 30 U H1' 1 31 A H8 4.500 3.500 5.500 5.070 4.993 5.114 . 0 0 "[ . 1]" 1
249 1 30 U HO2' 1 31 A H8 4.000 2.500 5.500 3.429 2.652 3.708 . 0 0 "[ . 1]" 1
250 1 30 U H3' 1 31 A H8 4.000 . 5.000 3.633 3.442 3.841 . 0 0 "[ . 1]" 1
251 1 31 A H8 1 31 A HO2' 3.000 . 4.000 5.145 5.026 5.433 1.433 9 10 [******-*+*] 1
252 1 31 A H3' 1 31 A H8 2.000 . 3.000 2.747 2.646 2.818 . 0 0 "[ . 1]" 1
253 1 31 A H3' 1 31 A H5'' 2.300 . 3.300 3.052 3.038 3.068 . 0 0 "[ . 1]" 1
254 1 31 A H4' 1 31 A H5' 1.700 . 2.700 2.494 2.483 2.502 . 0 0 "[ . 1]" 1
255 1 31 A H4' 1 31 A H5'' 1.700 . 2.700 2.373 2.363 2.386 . 0 0 "[ . 1]" 1
256 1 10 G H1' 1 31 A H2 4.500 3.500 5.500 3.825 3.504 4.082 . 0 0 "[ . 1]" 1
257 1 31 A H2 1 32 G H1' 4.000 3.000 5.000 5.099 5.020 5.153 0.153 1 0 "[ . 1]" 1
258 1 11 C H1' 1 31 A H2 5.000 4.000 6.000 6.237 6.170 6.312 0.312 1 0 "[ . 1]" 1
259 1 9 U H1' 1 31 A H2 7.000 7.000 12.000 8.565 7.951 9.677 . 0 0 "[ . 1]" 1
260 1 30 U H1' 1 31 A H2 7.000 7.000 12.000 6.856 6.806 6.941 0.194 3 0 "[ . 1]" 1
261 1 31 A H8 1 32 G H8 5.000 4.000 6.000 6.132 6.061 6.232 0.232 8 0 "[ . 1]" 1
262 1 32 G H3' 1 32 G H5'' 2.300 . 3.300 3.194 3.097 3.264 . 0 0 "[ . 1]" 1
263 1 32 G H4' 1 32 G H5' 1.700 . 2.700 2.548 2.492 2.586 . 0 0 "[ . 1]" 1
264 1 32 G H4' 1 32 G H5'' 1.700 . 2.700 2.319 2.290 2.361 . 0 0 "[ . 1]" 1
265 1 32 G H1' 1 32 G H8 1.700 . 2.700 2.560 2.536 2.597 . 0 0 "[ . 1]" 1
266 1 32 G H8 1 33 U H1' 4.000 . 6.000 4.005 3.819 4.447 . 0 0 "[ . 1]" 1
267 1 32 G H8 1 33 U H5 4.000 . 6.000 5.972 5.837 6.055 0.055 5 0 "[ . 1]" 1
268 1 32 G H8 1 33 U H6 4.000 . 6.000 5.085 4.929 5.162 . 0 0 "[ . 1]" 1
269 1 32 G HO2' 1 33 U H6 2.300 . 4.300 4.261 3.828 4.595 0.295 2 0 "[ . 1]" 1
270 1 32 G H3' 1 33 U H6 2.300 . 4.300 2.730 2.657 2.765 . 0 0 "[ . 1]" 1
271 1 33 U H6 1 33 U HO2' 3.000 . 4.000 5.163 4.993 5.399 1.399 7 10 [**-***+***] 1
272 1 33 U H3' 1 33 U H6 2.000 . 3.000 2.707 2.649 2.764 . 0 0 "[ . 1]" 1
273 1 33 U H3' 1 33 U H5'' 2.300 . 3.300 3.043 3.021 3.058 . 0 0 "[ . 1]" 1
274 1 33 U H4' 1 33 U H5' 1.700 . 2.700 2.468 2.461 2.476 . 0 0 "[ . 1]" 1
275 1 33 U H4' 1 33 U H5'' 1.700 . 2.700 2.388 2.379 2.400 . 0 0 "[ . 1]" 1
276 1 33 U H6 1 34 C H5 4.000 . 5.000 4.392 4.323 4.427 . 0 0 "[ . 1]" 1
277 1 33 U H6 1 34 C H6 4.000 . 5.000 5.042 5.022 5.069 0.069 1 0 "[ . 1]" 1
278 1 33 U HO2' 1 34 C H6 1.700 . 2.700 3.515 2.917 3.894 1.194 3 8 "[-*+*** **]" 1
279 1 33 U H3' 1 34 C H6 2.300 . 3.300 3.364 3.350 3.389 0.089 1 0 "[ . 1]" 1
280 1 34 C H6 1 34 C HO2' 3.000 . 4.000 5.145 4.870 5.293 1.293 1 10 [+*****-***] 1
281 1 34 C H3' 1 34 C H6 2.000 . 3.000 2.789 2.749 2.819 . 0 0 "[ . 1]" 1
282 1 34 C H3' 1 34 C H5'' 2.300 . 3.300 3.011 3.001 3.020 . 0 0 "[ . 1]" 1
283 1 34 C H4' 1 34 C H5' 1.700 . 2.700 2.462 2.459 2.464 . 0 0 "[ . 1]" 1
284 1 34 C H4' 1 34 C H5'' 1.700 . 2.700 2.394 2.392 2.395 . 0 0 "[ . 1]" 1
285 1 34 C H6 1 35 G H8 4.000 . 5.000 4.685 4.653 4.734 . 0 0 "[ . 1]" 1
286 1 34 C HO2' 1 35 G H8 1.700 . 2.700 3.875 3.556 4.462 1.762 8 10 [-******+**] 1
287 1 34 C H3' 1 35 G H8 2.300 . 3.300 3.293 3.269 3.313 0.013 2 0 "[ . 1]" 1
288 1 35 G H8 1 35 G HO2' 3.000 . 4.000 5.204 5.037 5.540 1.540 7 10 [*-****+***] 1
289 1 35 G H3' 1 35 G H8 2.000 . 3.000 3.050 3.030 3.070 0.070 3 0 "[ . 1]" 1
290 1 35 G H3' 1 35 G H5'' 2.300 . 3.300 3.060 3.050 3.069 . 0 0 "[ . 1]" 1
291 1 35 G H4' 1 35 G H5' 1.700 . 2.700 2.483 2.478 2.487 . 0 0 "[ . 1]" 1
292 1 35 G H4' 1 35 G H5'' 1.700 . 2.700 2.367 2.362 2.371 . 0 0 "[ . 1]" 1
293 1 35 G H8 1 36 A H8 4.000 . 5.000 4.772 4.732 4.819 . 0 0 "[ . 1]" 1
294 1 35 G H3' 1 36 A H8 2.300 . 3.300 3.247 3.226 3.274 . 0 0 "[ . 1]" 1
295 1 36 A H8 1 36 A HO2' 3.000 . 4.000 5.223 5.066 5.607 1.607 2 10 [*+**-*****] 1
296 1 36 A H3' 1 36 A H8 2.000 . 3.000 3.020 2.996 3.035 0.035 4 0 "[ . 1]" 1
297 1 36 A H3' 1 36 A H5'' 2.300 . 3.300 3.046 3.043 3.051 . 0 0 "[ . 1]" 1
298 1 36 A H4' 1 36 A H5' 1.700 . 2.700 2.475 2.473 2.477 . 0 0 "[ . 1]" 1
299 1 36 A H4' 1 36 A H5'' 1.700 . 2.700 2.373 2.370 2.376 . 0 0 "[ . 1]" 1
300 1 36 A H2 1 37 G H1' 4.000 . 5.000 3.677 3.627 3.752 . 0 0 "[ . 1]" 1
301 1 6 C H1' 1 36 A H2 4.000 . 5.000 3.806 3.692 3.949 . 0 0 "[ . 1]" 1
302 1 36 A H8 1 37 G H8 4.000 . 5.000 4.637 4.621 4.671 . 0 0 "[ . 1]" 1
303 1 36 A HO2' 1 37 G H8 1.700 . 2.700 4.330 3.419 4.588 1.888 9 10 [***-****+*] 1
304 1 36 A H3' 1 37 G H8 2.300 . 3.300 3.171 3.151 3.212 . 0 0 "[ . 1]" 1
305 1 37 G H8 1 37 G HO2' 3.000 . 4.000 5.153 5.049 5.324 1.324 2 10 [*+***-****] 1
306 1 37 G H3' 1 37 G H8 2.000 . 3.000 3.060 3.042 3.077 0.077 5 0 "[ . 1]" 1
307 1 37 G H3' 1 37 G H5'' 2.300 . 3.300 3.039 3.031 3.045 . 0 0 "[ . 1]" 1
308 1 37 G H4' 1 37 G H5' 1.700 . 2.700 2.474 2.471 2.475 . 0 0 "[ . 1]" 1
309 1 37 G H4' 1 37 G H5'' 1.700 . 2.700 2.376 2.371 2.381 . 0 0 "[ . 1]" 1
310 1 37 G H8 1 38 C H5 4.000 . 5.000 4.127 4.038 4.170 . 0 0 "[ . 1]" 1
311 1 37 G H8 1 38 C H6 4.000 . 5.000 4.951 4.899 4.984 . 0 0 "[ . 1]" 1
312 1 37 G HO2' 1 38 C H6 1.700 . 2.700 4.342 4.159 4.533 1.833 7 10 [****-*+***] 1
313 1 37 G H3' 1 38 C H6 2.300 . 3.300 3.212 3.189 3.225 . 0 0 "[ . 1]" 1
314 1 38 C H6 1 38 C HO2' 3.000 . 4.000 4.997 4.810 5.355 1.355 10 10 [*-*******+] 1
315 1 38 C H3' 1 38 C H6 2.000 . 3.000 2.804 2.776 2.849 . 0 0 "[ . 1]" 1
316 1 38 C H3' 1 38 C H5'' 2.300 . 3.300 3.026 3.020 3.038 . 0 0 "[ . 1]" 1
317 1 38 C H4' 1 38 C H5' 1.700 . 2.700 2.469 2.468 2.471 . 0 0 "[ . 1]" 1
318 1 38 C H4' 1 38 C H5'' 1.700 . 2.700 2.379 2.376 2.382 . 0 0 "[ . 1]" 1
319 1 38 C H6 1 39 C H5 4.000 . 5.000 4.247 4.230 4.274 . 0 0 "[ . 1]" 1
320 1 38 C H6 1 39 C H6 4.000 . 5.000 4.886 4.857 4.954 . 0 0 "[ . 1]" 1
321 1 38 C HO2' 1 39 C H6 1.700 . 2.700 4.187 3.439 4.552 1.852 7 10 [****-*+***] 1
322 1 38 C H3' 1 39 C H6 2.300 . 3.300 3.264 3.222 3.289 . 0 0 "[ . 1]" 1
323 1 39 C H6 1 39 C HO2' 3.000 . 4.000 4.928 4.817 5.062 1.062 6 10 [**-**+****] 1
324 1 39 C H3' 1 39 C H6 2.000 . 3.000 2.836 2.822 2.861 . 0 0 "[ . 1]" 1
325 1 39 C H3' 1 39 C H5'' 2.300 . 3.300 3.026 3.016 3.034 . 0 0 "[ . 1]" 1
326 1 39 C H4' 1 39 C H5' 1.700 . 2.700 2.471 2.470 2.473 . 0 0 "[ . 1]" 1
327 1 39 C H4' 1 39 C H5'' 1.700 . 2.700 2.379 2.376 2.385 . 0 0 "[ . 1]" 1
328 1 39 C H6 1 40 C H5 4.000 . 5.000 4.125 4.071 4.196 . 0 0 "[ . 1]" 1
329 1 39 C H6 1 40 C H6 4.000 . 5.000 4.855 4.819 4.917 . 0 0 "[ . 1]" 1
330 1 39 C HO2' 1 40 C H6 1.700 . 2.700 4.448 4.172 4.705 2.005 7 10 [***-**+***] 1
331 1 39 C H3' 1 40 C H6 2.300 . 3.300 3.326 3.297 3.362 0.062 7 0 "[ . 1]" 1
332 1 40 C H6 1 40 C HO2' 3.000 . 4.000 5.181 4.956 5.429 1.429 6 10 [*****+*-**] 1
333 1 40 C H3' 1 40 C H6 2.000 . 3.000 2.923 2.868 2.967 . 0 0 "[ . 1]" 1
334 1 40 C H3' 1 40 C H5'' 2.300 . 3.300 3.015 2.996 3.033 . 0 0 "[ . 1]" 1
335 1 40 C H4' 1 40 C H5' 1.700 . 2.700 2.483 2.478 2.487 . 0 0 "[ . 1]" 1
336 1 40 C H4' 1 40 C H5'' 1.700 . 2.700 2.371 2.366 2.377 . 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 112
_Distance_constraint_stats_list.Viol_count 27
_Distance_constraint_stats_list.Viol_total 0.286
_Distance_constraint_stats_list.Viol_max 0.003
_Distance_constraint_stats_list.Viol_rms 0.0002
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0011
_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 0.000 0.000 . 0 "[ . 1]"
1 2 G 0.000 0.000 . 0 "[ . 1]"
1 3 G 0.004 0.002 9 0 "[ . 1]"
1 4 C 0.000 0.000 . 0 "[ . 1]"
1 5 U 0.001 0.001 1 0 "[ . 1]"
1 6 C 0.000 0.000 . 0 "[ . 1]"
1 7 G 0.000 0.000 . 0 "[ . 1]"
1 8 G 0.005 0.003 8 0 "[ . 1]"
1 9 U 0.000 0.000 . 0 "[ . 1]"
1 10 G 0.000 0.000 6 0 "[ . 1]"
1 11 C 0.000 0.000 9 0 "[ . 1]"
1 12 A 0.000 0.000 . 0 "[ . 1]"
1 13 C 0.000 0.000 . 0 "[ . 1]"
1 14 A 0.000 0.000 . 0 "[ . 1]"
1 15 U 0.006 0.002 9 0 "[ . 1]"
1 16 G 0.004 0.003 9 0 "[ . 1]"
1 17 C 0.010 0.003 9 0 "[ . 1]"
1 21 A 0.010 0.003 9 0 "[ . 1]"
1 22 C 0.004 0.003 9 0 "[ . 1]"
1 23 A 0.006 0.002 9 0 "[ . 1]"
1 24 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 G 0.000 0.000 9 0 "[ . 1]"
1 28 U 0.000 0.000 6 0 "[ . 1]"
1 30 U 0.000 0.000 . 0 "[ . 1]"
1 33 U 0.005 0.003 8 0 "[ . 1]"
1 34 C 0.000 0.000 . 0 "[ . 1]"
1 35 G 0.000 0.000 . 0 "[ . 1]"
1 36 A 0.001 0.001 1 0 "[ . 1]"
1 37 G 0.000 0.000 . 0 "[ . 1]"
1 38 C 0.004 0.002 9 0 "[ . 1]"
1 39 C 0.000 0.000 . 0 "[ . 1]"
1 40 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 N1 1 40 C N3 2.870 2.670 3.070 2.983 2.959 3.023 . 0 0 "[ . 1]" 2
2 1 1 G H1 1 40 C N3 1.860 . 2.060 1.977 1.953 2.017 . 0 0 "[ . 1]" 2
3 1 1 G O6 1 40 C N4 2.810 2.610 3.010 2.886 2.867 2.945 . 0 0 "[ . 1]" 2
4 1 1 G N2 1 40 C O2 2.810 2.610 3.010 2.968 2.926 3.009 . 0 0 "[ . 1]" 2
5 1 1 G N2 1 40 C N3 3.580 3.380 3.780 3.760 3.724 3.779 . 0 0 "[ . 1]" 2
6 1 1 G O6 1 40 C N3 3.630 3.430 3.830 3.627 3.587 3.669 . 0 0 "[ . 1]" 2
7 1 2 G N1 1 39 C N3 2.870 2.670 3.070 2.898 2.863 2.919 . 0 0 "[ . 1]" 2
8 1 2 G H1 1 39 C N3 1.860 . 2.060 1.892 1.855 1.913 . 0 0 "[ . 1]" 2
9 1 2 G O6 1 39 C N4 2.810 2.610 3.010 2.867 2.846 2.895 . 0 0 "[ . 1]" 2
10 1 2 G N2 1 39 C O2 2.810 2.610 3.010 2.851 2.772 2.919 . 0 0 "[ . 1]" 2
11 1 2 G N2 1 39 C N3 3.580 3.380 3.780 3.630 3.560 3.684 . 0 0 "[ . 1]" 2
12 1 2 G O6 1 39 C N3 3.630 3.430 3.830 3.628 3.589 3.655 . 0 0 "[ . 1]" 2
13 1 3 G N1 1 38 C N3 2.870 2.670 3.070 2.773 2.763 2.785 . 0 0 "[ . 1]" 2
14 1 3 G H1 1 38 C N3 1.860 . 2.060 1.766 1.755 1.778 . 0 0 "[ . 1]" 2
15 1 3 G O6 1 38 C N4 2.810 2.610 3.010 2.849 2.831 2.866 . 0 0 "[ . 1]" 2
16 1 3 G N2 1 38 C O2 2.810 2.610 3.010 2.616 2.608 2.636 0.002 9 0 "[ . 1]" 2
17 1 3 G N2 1 38 C N3 3.580 3.380 3.780 3.495 3.466 3.520 . 0 0 "[ . 1]" 2
18 1 3 G O6 1 38 C N3 3.630 3.430 3.830 3.572 3.539 3.617 . 0 0 "[ . 1]" 2
19 1 4 C N3 1 37 G N1 2.870 2.670 3.070 2.780 2.766 2.802 . 0 0 "[ . 1]" 2
20 1 4 C N3 1 37 G H1 1.860 . 2.060 1.774 1.762 1.795 . 0 0 "[ . 1]" 2
21 1 4 C N4 1 37 G O6 2.810 2.610 3.010 2.849 2.832 2.863 . 0 0 "[ . 1]" 2
22 1 4 C O2 1 37 G N2 2.810 2.610 3.010 2.623 2.610 2.663 . 0 0 "[ . 1]" 2
23 1 4 C N3 1 37 G N2 3.580 3.380 3.780 3.486 3.465 3.505 . 0 0 "[ . 1]" 2
24 1 4 C N3 1 37 G O6 3.630 3.430 3.830 3.590 3.574 3.620 . 0 0 "[ . 1]" 2
25 1 5 U H3 1 36 A N1 1.860 . 2.060 1.709 1.695 1.724 . 0 0 "[ . 1]" 2
26 1 5 U N3 1 36 A N1 2.870 2.670 3.070 2.713 2.699 2.727 . 0 0 "[ . 1]" 2
27 1 5 U O4 1 36 A H61 1.860 . 2.060 1.750 1.725 1.779 . 0 0 "[ . 1]" 2
28 1 5 U O4 1 36 A N6 2.870 2.670 3.070 2.760 2.736 2.785 . 0 0 "[ . 1]" 2
29 1 5 U O2 1 36 A H2 2.870 2.670 3.070 2.675 2.669 2.684 0.001 1 0 "[ . 1]" 2
30 1 5 U O4 1 36 A N1 3.630 3.430 3.830 3.535 3.510 3.564 . 0 0 "[ . 1]" 2
31 1 5 U O2 1 36 A N1 3.630 3.430 3.830 3.458 3.446 3.482 . 0 0 "[ . 1]" 2
32 1 6 C N3 1 35 G N1 2.870 2.670 3.070 2.840 2.810 2.877 . 0 0 "[ . 1]" 2
33 1 6 C N3 1 35 G H1 1.860 . 2.060 1.831 1.801 1.867 . 0 0 "[ . 1]" 2
34 1 6 C N4 1 35 G O6 2.810 2.610 3.010 2.907 2.883 2.948 . 0 0 "[ . 1]" 2
35 1 6 C O2 1 35 G N2 2.810 2.610 3.010 2.657 2.623 2.741 . 0 0 "[ . 1]" 2
36 1 6 C N3 1 35 G N2 3.580 3.380 3.780 3.537 3.483 3.584 . 0 0 "[ . 1]" 2
37 1 6 C N3 1 35 G O6 3.630 3.430 3.830 3.629 3.592 3.685 . 0 0 "[ . 1]" 2
38 1 7 G N1 1 34 C N3 2.870 2.670 3.070 2.855 2.838 2.871 . 0 0 "[ . 1]" 2
39 1 7 G H1 1 34 C N3 1.860 . 2.060 1.853 1.835 1.871 . 0 0 "[ . 1]" 2
40 1 7 G O6 1 34 C N4 2.810 2.610 3.010 2.971 2.936 3.002 . 0 0 "[ . 1]" 2
41 1 7 G N2 1 34 C O2 2.810 2.610 3.010 2.623 2.616 2.637 . 0 0 "[ . 1]" 2
42 1 7 G N2 1 34 C N3 3.580 3.380 3.780 3.479 3.444 3.513 . 0 0 "[ . 1]" 2
43 1 7 G O6 1 34 C N3 3.630 3.430 3.830 3.706 3.666 3.739 . 0 0 "[ . 1]" 2
44 1 8 G O6 1 33 U H3 2.110 . 2.310 2.016 1.968 2.044 . 0 0 "[ . 1]" 2
45 1 8 G O6 1 33 U N3 3.120 2.920 3.320 3.022 2.977 3.050 . 0 0 "[ . 1]" 2
46 1 8 G H1 1 33 U O2 1.900 . 2.100 1.845 1.795 1.876 . 0 0 "[ . 1]" 2
47 1 8 G N1 1 33 U O2 2.910 2.710 3.110 2.764 2.722 2.790 . 0 0 "[ . 1]" 2
48 1 8 G O6 1 33 U O4 3.820 3.620 4.020 3.702 3.667 3.739 . 0 0 "[ . 1]" 2
49 1 8 G O6 1 33 U O2 3.790 3.590 3.990 3.774 3.695 3.818 . 0 0 "[ . 1]" 2
50 1 8 G N1 1 33 U N3 3.750 3.550 3.950 3.561 3.549 3.579 0.001 8 0 "[ . 1]" 2
51 1 8 G N2 1 33 U O2 3.460 3.260 3.660 3.267 3.257 3.289 0.003 8 0 "[ . 1]" 2
52 1 8 G N2 1 33 U O4 7.300 7.100 7.500 7.121 7.100 7.147 0.000 9 0 "[ . 1]" 2
53 1 9 U H3 1 30 U O2 1.810 . 2.010 1.962 1.793 2.006 . 0 0 "[ . 1]" 2
54 1 9 U N3 1 30 U O2 2.820 2.620 3.020 2.938 2.777 2.979 . 0 0 "[ . 1]" 2
55 1 9 U O4 1 30 U H3 2.000 . 2.200 1.898 1.853 1.930 . 0 0 "[ . 1]" 2
56 1 9 U O4 1 30 U N3 3.010 2.810 3.210 2.848 2.813 2.867 . 0 0 "[ . 1]" 2
57 1 9 U O2 1 30 U O4 7.510 7.310 7.710 7.704 7.695 7.709 . 0 0 "[ . 1]" 2
58 1 10 G O6 1 28 U H3 2.110 . 2.310 2.061 2.055 2.067 . 0 0 "[ . 1]" 2
59 1 10 G O6 1 28 U N3 3.120 2.920 3.320 3.065 3.058 3.073 . 0 0 "[ . 1]" 2
60 1 10 G H1 1 28 U O2 1.900 . 2.100 2.095 2.090 2.100 . 0 0 "[ . 1]" 2
61 1 10 G N1 1 28 U O2 2.910 2.710 3.110 3.103 3.097 3.109 . 0 0 "[ . 1]" 2
62 1 10 G O6 1 28 U O4 3.820 3.620 4.020 3.622 3.620 3.624 . 1 0 "[ . 1]" 2
63 1 10 G O6 1 28 U O2 3.790 3.590 3.990 3.919 3.909 3.929 . 0 0 "[ . 1]" 2
64 1 10 G N1 1 28 U N3 3.750 3.550 3.950 3.740 3.737 3.743 . 0 0 "[ . 1]" 2
65 1 10 G N2 1 28 U O2 3.460 3.260 3.660 3.657 3.650 3.660 0.000 6 0 "[ . 1]" 2
66 1 10 G N2 1 28 U O4 7.300 7.100 7.500 7.248 7.238 7.254 . 0 0 "[ . 1]" 2
67 1 11 C N3 1 27 G N1 2.870 2.670 3.070 2.941 2.929 2.951 . 0 0 "[ . 1]" 2
68 1 11 C N3 1 27 G H1 1.860 . 2.060 1.933 1.923 1.943 . 0 0 "[ . 1]" 2
69 1 11 C N4 1 27 G O6 2.810 2.610 3.010 2.808 2.790 2.832 . 0 0 "[ . 1]" 2
70 1 11 C O2 1 27 G N2 2.810 2.610 3.010 3.005 2.996 3.010 . 9 0 "[ . 1]" 2
71 1 11 C N3 1 27 G N2 3.580 3.380 3.780 3.565 3.535 3.594 . 0 0 "[ . 1]" 2
72 1 11 C N3 1 27 G O6 3.630 3.430 3.830 3.759 3.735 3.792 . 0 0 "[ . 1]" 2
73 1 12 A N1 1 26 U H3 1.860 . 2.060 1.762 1.731 1.787 . 0 0 "[ . 1]" 2
74 1 12 A N1 1 26 U N3 2.870 2.670 3.070 2.767 2.739 2.793 . 0 0 "[ . 1]" 2
75 1 12 A H61 1 26 U O4 1.860 . 2.060 1.787 1.716 1.849 . 0 0 "[ . 1]" 2
76 1 12 A N6 1 26 U O4 2.870 2.670 3.070 2.774 2.702 2.835 . 0 0 "[ . 1]" 2
77 1 12 A H2 1 26 U O2 2.870 2.670 3.070 2.829 2.777 2.904 . 0 0 "[ . 1]" 2
78 1 12 A N1 1 26 U O4 3.630 3.430 3.830 3.636 3.598 3.672 . 0 0 "[ . 1]" 2
79 1 12 A N1 1 26 U O2 3.630 3.430 3.830 3.437 3.431 3.449 . 0 0 "[ . 1]" 2
80 1 13 C N3 1 25 G N1 2.870 2.670 3.070 2.821 2.785 2.851 . 0 0 "[ . 1]" 2
81 1 13 C N3 1 25 G H1 1.860 . 2.060 1.811 1.776 1.841 . 0 0 "[ . 1]" 2
82 1 13 C N4 1 25 G O6 2.810 2.610 3.010 2.861 2.840 2.876 . 0 0 "[ . 1]" 2
83 1 13 C O2 1 25 G N2 2.810 2.610 3.010 2.734 2.669 2.825 . 0 0 "[ . 1]" 2
84 1 13 C N3 1 25 G N2 3.580 3.380 3.780 3.508 3.464 3.567 . 0 0 "[ . 1]" 2
85 1 13 C N3 1 25 G O6 3.630 3.430 3.830 3.630 3.586 3.657 . 0 0 "[ . 1]" 2
86 1 14 A N1 1 24 U H3 1.860 . 2.060 1.880 1.845 1.921 . 0 0 "[ . 1]" 2
87 1 14 A N1 1 24 U N3 2.870 2.670 3.070 2.885 2.851 2.926 . 0 0 "[ . 1]" 2
88 1 14 A H61 1 24 U O4 1.860 . 2.060 1.910 1.858 1.957 . 0 0 "[ . 1]" 2
89 1 14 A N6 1 24 U O4 2.870 2.670 3.070 2.910 2.856 2.960 . 0 0 "[ . 1]" 2
90 1 14 A H2 1 24 U O2 2.870 2.670 3.070 2.874 2.835 2.938 . 0 0 "[ . 1]" 2
91 1 14 A N1 1 24 U O4 3.630 3.430 3.830 3.718 3.667 3.765 . 0 0 "[ . 1]" 2
92 1 14 A N1 1 24 U O2 3.630 3.430 3.830 3.538 3.512 3.566 . 0 0 "[ . 1]" 2
93 1 15 U H3 1 23 A N1 1.860 . 2.060 2.040 2.029 2.056 . 0 0 "[ . 1]" 2
94 1 15 U N3 1 23 A N1 2.870 2.670 3.070 3.040 3.029 3.058 . 0 0 "[ . 1]" 2
95 1 15 U O4 1 23 A H61 1.860 . 2.060 2.021 1.993 2.059 . 0 0 "[ . 1]" 2
96 1 15 U O4 1 23 A N6 2.870 2.670 3.070 3.031 3.001 3.068 . 0 0 "[ . 1]" 2
97 1 15 U O2 1 23 A H2 2.870 2.670 3.070 3.066 3.051 3.071 0.001 7 0 "[ . 1]" 2
98 1 15 U O4 1 23 A N1 3.630 3.430 3.830 3.826 3.814 3.832 0.002 9 0 "[ . 1]" 2
99 1 15 U O2 1 23 A N1 3.630 3.430 3.830 3.676 3.652 3.701 . 0 0 "[ . 1]" 2
100 1 16 G N1 1 22 C N3 2.870 2.670 3.070 2.957 2.934 2.972 . 0 0 "[ . 1]" 2
101 1 16 G H1 1 22 C N3 1.860 . 2.060 1.956 1.934 1.971 . 0 0 "[ . 1]" 2
102 1 16 G O6 1 22 C N4 2.810 2.610 3.010 2.916 2.865 2.965 . 0 0 "[ . 1]" 2
103 1 16 G N2 1 22 C O2 2.810 2.610 3.010 2.895 2.838 2.940 . 0 0 "[ . 1]" 2
104 1 16 G N2 1 22 C N3 3.580 3.380 3.780 3.512 3.473 3.543 . 0 0 "[ . 1]" 2
105 1 16 G O6 1 22 C N3 3.630 3.430 3.830 3.829 3.821 3.833 0.003 9 0 "[ . 1]" 2
106 1 17 C O2 1 21 A N1 2.620 2.420 2.820 2.426 2.417 2.435 0.003 9 0 "[ . 1]" 2
107 1 17 C O2 1 21 A H1 1.610 . 1.810 1.514 1.500 1.527 . 0 0 "[ . 1]" 2
108 1 17 C N3 1 21 A N6 3.020 2.820 3.220 2.829 2.821 2.846 . 0 0 "[ . 1]" 2
109 1 17 C N3 1 21 A H61 2.010 . 2.210 1.843 1.834 1.857 . 0 0 "[ . 1]" 2
110 1 17 C N4 1 21 A N6 3.880 3.680 4.080 3.702 3.687 3.720 . 0 0 "[ . 1]" 2
111 1 17 C O2 1 21 A N6 3.740 3.540 3.940 3.596 3.584 3.610 . 0 0 "[ . 1]" 2
112 1 17 C N3 1 21 A N1 3.500 3.300 3.700 3.302 3.297 3.314 0.003 9 0 "[ . 1]" 2
stop_
save_
Contact the webmaster for help, if required. Friday, May 10, 2024 7:27:46 AM GMT (wattos1)