NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
616183 |
5uzt   |
30257 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5uzt
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 334
_Distance_constraint_stats_list.Viol_count 521
_Distance_constraint_stats_list.Viol_total 3240.126
_Distance_constraint_stats_list.Viol_max 1.769
_Distance_constraint_stats_list.Viol_rms 0.3068
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0970
_Distance_constraint_stats_list.Viol_average_violations_only 0.6219
_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 2.898 0.197 5 0 "[ . 1]"
1 2 G 34.205 1.661 9 10 [********+*]
1 3 U 46.860 1.701 10 10 [***-*****+]
1 4 G 46.800 1.701 10 10 [******-**+]
1 5 U 45.540 1.694 9 10 [**-*****+*]
1 6 U 33.612 1.769 1 10 [+*********]
1 7 G 23.889 1.769 1 10 [+*-*******]
1 8 A 9.567 1.102 1 9 "[+** -*****]"
1 9 C 6.925 1.102 1 8 "[+** -*** *]"
1 10 U 0.709 0.354 5 0 "[ . 1]"
1 11 G 2.019 0.707 9 2 "[- . +1]"
1 12 U 0.125 0.125 1 0 "[ . 1]"
1 13 U 1.434 0.427 1 0 "[ . 1]"
1 14 G 2.937 0.867 4 1 "[ +. 1]"
1 15 A 2.803 0.867 4 2 "[ +- 1]"
1 16 A 1.454 0.859 5 1 "[ + 1]"
1 17 U 19.342 1.617 7 10 [**-***+***]
1 18 C 12.466 1.617 7 9 "[***** +**-]"
1 19 U 0.000 0.000 . 0 "[ . 1]"
1 20 C 7.152 0.610 9 5 "[*- *.* +1]"
1 21 A 10.507 1.023 6 10 [***-*+****]
1 22 U 9.089 1.023 6 10 [***-*+****]
1 23 G 0.043 0.043 4 0 "[ . 1]"
1 24 G 0.000 0.000 . 0 "[ . 1]"
1 25 C 15.595 1.753 5 10 [****+****-]
1 26 A 34.924 1.753 5 10 [*-**+*****]
1 27 A 34.986 1.734 2 10 [*+****-***]
1 28 C 37.934 1.765 8 10 [******-+**]
1 29 A 34.612 1.765 8 10 [*-*****+**]
1 30 C 34.341 1.599 3 10 [**+*******]
1 31 C 22.308 1.599 3 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 H1' 1 1 G H8 4.500 2.900 6.100 3.926 3.920 3.928 . 0 0 "[ . 1]" 1
2 1 1 G H8 1 1 G HO2' 4.500 2.900 6.100 4.883 4.673 5.071 . 0 0 "[ . 1]" 1
3 1 1 G H3' 1 1 G H8 3.500 2.300 4.700 4.154 4.140 4.163 . 0 0 "[ . 1]" 1
4 1 1 G H4' 1 1 G H8 4.500 2.900 6.100 4.605 4.595 4.613 . 0 0 "[ . 1]" 1
5 1 1 G H5' 1 1 G H8 4.500 2.900 6.100 3.473 3.457 3.486 . 0 0 "[ . 1]" 1
6 1 1 G H5'' 1 1 G H8 3.500 2.300 4.700 4.271 4.263 4.282 . 0 0 "[ . 1]" 1
7 1 1 G H8 1 2 G H8 4.500 2.900 6.100 4.786 4.776 4.801 . 0 0 "[ . 1]" 1
8 1 1 G H1' 1 1 G HO2' 2.500 . 3.200 2.794 2.146 3.397 0.197 5 0 "[ . 1]" 1
9 1 1 G H1' 1 1 G H3' 4.500 2.900 6.100 3.936 3.934 3.941 . 0 0 "[ . 1]" 1
10 1 1 G H1' 1 1 G H4' 3.500 2.300 4.700 3.444 3.439 3.447 . 0 0 "[ . 1]" 1
11 1 1 G H1' 1 1 G H5'' 4.500 2.900 6.100 5.085 5.083 5.086 . 0 0 "[ . 1]" 1
12 1 1 G H1' 1 2 G H8 4.500 2.900 6.100 2.752 2.729 2.777 0.171 6 0 "[ . 1]" 1
13 1 1 G H3' 1 1 G HO2' 2.500 . 3.200 3.198 2.873 3.387 0.187 8 0 "[ . 1]" 1
14 1 1 G H4' 1 1 G HO2' 4.500 2.900 6.100 4.442 4.008 4.914 . 0 0 "[ . 1]" 1
15 1 1 G H5'' 1 1 G HO2' 4.500 2.900 6.100 5.472 5.365 5.566 . 0 0 "[ . 1]" 1
16 1 1 G HO2' 1 2 G H8 2.500 . 3.200 1.973 1.843 2.184 . 0 0 "[ . 1]" 1
17 1 1 G HO2' 1 2 G H1' 4.500 2.900 6.100 4.932 4.321 5.563 . 0 0 "[ . 1]" 1
18 1 1 G H3' 1 1 G H4' 3.500 2.300 4.700 2.781 2.777 2.784 . 0 0 "[ . 1]" 1
19 1 1 G H3' 1 1 G H5' 3.500 2.300 4.700 3.659 3.650 3.661 . 0 0 "[ . 1]" 1
20 1 1 G H3' 1 1 G H5'' 2.500 . 3.200 2.610 2.600 2.615 . 0 0 "[ . 1]" 1
21 1 1 G H3' 1 2 G H8 3.500 2.300 4.700 4.535 4.526 4.545 . 0 0 "[ . 1]" 1
22 1 1 G H4' 1 1 G H5' 3.500 2.300 4.700 2.521 2.519 2.523 . 0 0 "[ . 1]" 1
23 1 1 G H4' 1 1 G H5'' 3.500 2.300 4.700 2.400 2.398 2.401 . 0 0 "[ . 1]" 1
24 1 2 G H1 1 29 A H2 5.000 . 7.000 4.859 4.841 4.885 . 0 0 "[ . 1]" 1
25 1 2 G H1 1 30 C H41 3.500 2.300 4.700 2.414 2.411 2.418 . 0 0 "[ . 1]" 1
26 1 2 G H1 1 30 C H42 3.500 2.300 4.700 3.924 3.920 3.927 . 0 0 "[ . 1]" 1
27 1 2 G H1' 1 2 G H8 4.500 2.900 6.100 3.771 3.763 3.779 . 0 0 "[ . 1]" 1
28 1 2 G H8 1 2 G HO2' 4.500 2.900 6.100 5.328 5.223 5.500 . 0 0 "[ . 1]" 1
29 1 2 G H3' 1 2 G H8 3.500 2.300 4.700 3.232 3.197 3.252 . 0 0 "[ . 1]" 1
30 1 2 G H4' 1 2 G H8 4.500 2.900 6.100 4.481 4.473 4.484 . 0 0 "[ . 1]" 1
31 1 2 G H5' 1 2 G H8 4.500 2.900 6.100 4.051 4.032 4.069 . 0 0 "[ . 1]" 1
32 1 2 G H5'' 1 2 G H8 4.500 2.900 6.100 4.774 4.770 4.781 . 0 0 "[ . 1]" 1
33 1 2 G H8 1 3 U H5 4.500 2.900 6.100 4.180 4.124 4.213 . 0 0 "[ . 1]" 1
34 1 2 G H1' 1 2 G HO2' 2.500 . 3.200 2.291 1.991 3.036 . 0 0 "[ . 1]" 1
35 1 2 G H1' 1 2 G H3' 4.500 2.900 6.100 3.840 3.837 3.843 . 0 0 "[ . 1]" 1
36 1 2 G H1' 1 2 G H4' 3.500 2.300 4.700 3.026 3.020 3.029 . 0 0 "[ . 1]" 1
37 1 2 G H1' 1 2 G H5' 4.500 2.900 6.100 4.520 4.514 4.525 . 0 0 "[ . 1]" 1
38 1 2 G H1' 1 2 G H5'' 4.500 2.900 6.100 5.089 5.085 5.099 . 0 0 "[ . 1]" 1
39 1 2 G H1' 1 3 U H6 4.500 2.900 6.100 4.822 4.790 4.839 . 0 0 "[ . 1]" 1
40 1 2 G H3' 1 2 G HO2' 2.500 . 3.200 3.895 3.368 4.062 0.862 2 9 "[-+ *******]" 1
41 1 2 G H4' 1 2 G HO2' 4.500 2.900 6.100 3.071 2.391 3.778 0.509 1 2 "[+ . -1]" 1
42 1 2 G HO2' 1 3 U H5 3.500 2.300 4.700 5.984 5.560 6.361 1.661 9 10 [*****-**+*] 1
43 1 2 G HO2' 1 3 U H6 2.500 . 3.200 4.305 3.689 4.788 1.588 9 9 "[***-* **+*]" 1
44 1 2 G HO2' 1 3 U H1' 4.500 2.900 6.100 4.842 3.988 5.606 . 0 0 "[ . 1]" 1
45 1 2 G H3' 1 2 G H5'' 3.500 2.300 4.700 3.159 3.147 3.187 . 0 0 "[ . 1]" 1
46 1 2 G H3' 1 3 U H5 3.500 2.300 4.700 4.019 3.997 4.039 . 0 0 "[ . 1]" 1
47 1 2 G H3' 1 3 U H6 3.500 2.300 4.700 3.522 3.486 3.533 . 0 0 "[ . 1]" 1
48 1 3 U H3 1 29 A H2 2.500 . 3.200 2.818 2.796 2.839 . 0 0 "[ . 1]" 1
49 1 3 U H1' 1 3 U H5 4.500 2.900 6.100 5.357 5.353 5.360 . 0 0 "[ . 1]" 1
50 1 3 U H5 1 3 U H6 2.500 . 3.200 2.416 2.414 2.420 . 0 0 "[ . 1]" 1
51 1 3 U H5 1 4 G H8 4.500 2.900 6.100 5.146 5.130 5.169 . 0 0 "[ . 1]" 1
52 1 3 U H1' 1 3 U H6 4.500 2.900 6.100 3.617 3.607 3.622 . 0 0 "[ . 1]" 1
53 1 3 U H6 1 3 U HO2' 4.500 2.900 6.100 5.061 4.911 5.345 . 0 0 "[ . 1]" 1
54 1 3 U H3' 1 3 U H6 4.500 2.900 6.100 2.782 2.768 2.813 0.132 5 0 "[ . 1]" 1
55 1 3 U H5'' 1 3 U H6 4.500 2.900 6.100 4.325 4.312 4.343 . 0 0 "[ . 1]" 1
56 1 3 U H1' 1 3 U HO2' 2.500 . 3.200 2.382 1.948 2.970 . 0 0 "[ . 1]" 1
57 1 3 U H1' 1 3 U H3' 4.500 2.900 6.100 3.838 3.835 3.845 . 0 0 "[ . 1]" 1
58 1 3 U H1' 1 3 U H4' 3.500 2.300 4.700 3.078 3.066 3.088 . 0 0 "[ . 1]" 1
59 1 3 U H1' 1 3 U H5'' 4.500 2.900 6.100 5.137 5.130 5.142 . 0 0 "[ . 1]" 1
60 1 3 U H1' 1 4 G H8 4.500 2.900 6.100 4.660 4.608 4.681 . 0 0 "[ . 1]" 1
61 1 3 U H1' 1 29 A H2 4.500 2.900 6.100 5.131 5.116 5.139 . 0 0 "[ . 1]" 1
62 1 3 U H3' 1 3 U HO2' 2.500 . 3.200 3.830 3.399 4.067 0.867 8 8 "[ * ****+*-]" 1
63 1 3 U H4' 1 3 U HO2' 4.500 2.900 6.100 2.919 2.147 3.788 0.753 1 3 "[+ * . -]" 1
64 1 3 U H5'' 1 3 U HO2' 4.500 2.900 6.100 5.083 4.276 5.742 . 0 0 "[ . 1]" 1
65 1 3 U HO2' 1 4 G H8 2.500 . 3.200 4.482 3.733 4.901 1.701 10 10 [***-*****+] 1
66 1 3 U HO2' 1 4 G H1' 4.500 2.900 6.100 4.841 3.812 5.651 . 0 0 "[ . 1]" 1
67 1 3 U H3' 1 3 U H4' 3.500 2.300 4.700 3.044 3.038 3.054 . 0 0 "[ . 1]" 1
68 1 3 U H3' 1 3 U H5' 3.500 2.300 4.700 3.784 3.773 3.803 . 0 0 "[ . 1]" 1
69 1 3 U H3' 1 3 U H5'' 2.500 . 3.200 3.160 3.148 3.185 . 0 0 "[ . 1]" 1
70 1 3 U H3' 1 4 G H8 3.500 2.300 4.700 3.429 3.400 3.460 . 0 0 "[ . 1]" 1
71 1 4 G H1 1 5 U H5 4.500 3.000 6.000 5.550 5.529 5.581 . 0 0 "[ . 1]" 1
72 1 4 G H1 1 5 U H3 3.500 . 5.000 3.335 3.326 3.349 . 0 0 "[ . 1]" 1
73 1 4 G H1 1 6 U H3 5.000 . 7.000 7.044 7.021 7.058 0.058 4 0 "[ . 1]" 1
74 1 4 G H1 1 27 A H2 3.500 2.300 4.700 4.709 4.696 4.721 0.021 6 0 "[ . 1]" 1
75 1 4 G H1 1 29 A H2 4.500 2.900 6.100 4.668 4.649 4.682 . 0 0 "[ . 1]" 1
76 1 4 G H1' 1 4 G H8 4.500 2.900 6.100 3.813 3.797 3.820 . 0 0 "[ . 1]" 1
77 1 4 G H3' 1 4 G H8 4.500 2.900 6.100 3.124 3.097 3.166 . 0 0 "[ . 1]" 1
78 1 4 G H8 1 5 U H5 4.500 2.900 6.100 4.021 3.989 4.068 . 0 0 "[ . 1]" 1
79 1 4 G H8 1 5 U H6 4.500 2.900 6.100 4.866 4.854 4.884 . 0 0 "[ . 1]" 1
80 1 4 G H8 1 29 A H2 4.500 2.900 6.100 5.148 5.123 5.162 . 0 0 "[ . 1]" 1
81 1 4 G H1' 1 4 G HO2' 2.500 . 3.200 2.274 1.945 2.803 . 0 0 "[ . 1]" 1
82 1 4 G H1' 1 4 G H4' 3.500 2.300 4.700 3.033 3.024 3.046 . 0 0 "[ . 1]" 1
83 1 4 G H1' 1 5 U H6 4.500 2.900 6.100 4.783 4.739 4.800 . 0 0 "[ . 1]" 1
84 1 4 G H1' 1 29 A H2 3.500 2.300 4.700 3.484 3.454 3.528 . 0 0 "[ . 1]" 1
85 1 4 G H3' 1 4 G HO2' 2.500 . 3.200 3.819 3.435 4.060 0.860 8 7 "[ ***. -+**]" 1
86 1 4 G HO2' 1 5 U H5 3.500 2.300 4.700 6.137 5.728 6.394 1.694 9 10 [*******-+*] 1
87 1 4 G HO2' 1 5 U H6 2.500 . 3.200 4.477 3.982 4.777 1.577 9 10 [*******-+*] 1
88 1 4 G HO2' 1 5 U H1' 4.500 2.900 6.100 4.975 4.092 5.608 . 0 0 "[ . 1]" 1
89 1 4 G HO2' 1 29 A H2 4.500 2.900 6.100 5.475 5.049 6.213 0.113 6 0 "[ . 1]" 1
90 1 5 U H3 1 6 U H3 3.500 . 5.000 3.890 3.869 3.904 . 0 0 "[ . 1]" 1
91 1 5 U H3 1 27 A H2 2.500 . 3.200 2.863 2.830 2.876 . 0 0 "[ . 1]" 1
92 1 5 U H3 1 26 A H2 4.500 3.000 6.000 5.910 5.896 5.938 . 0 0 "[ . 1]" 1
93 1 5 U H3 1 6 U H5 3.500 . 5.000 4.347 4.318 4.413 . 0 0 "[ . 1]" 1
94 1 5 U H3 1 6 U H6 3.500 . 5.000 4.948 4.922 4.965 . 0 0 "[ . 1]" 1
95 1 5 U H5 1 5 U H6 2.500 . 3.200 2.420 2.417 2.423 . 0 0 "[ . 1]" 1
96 1 5 U H1' 1 5 U H5 4.500 2.900 6.100 5.359 5.355 5.361 . 0 0 "[ . 1]" 1
97 1 5 U H5 1 6 U H5 4.500 2.900 6.100 3.900 3.861 3.965 . 0 0 "[ . 1]" 1
98 1 5 U H1' 1 5 U H6 4.500 2.900 6.100 3.621 3.614 3.626 . 0 0 "[ . 1]" 1
99 1 5 U H3' 1 5 U H6 3.500 2.300 4.700 2.784 2.751 2.839 . 0 0 "[ . 1]" 1
100 1 5 U H6 1 6 U H5 4.500 2.900 6.100 4.072 4.019 4.139 . 0 0 "[ . 1]" 1
101 1 5 U H6 1 6 U H6 4.500 2.900 6.100 4.809 4.789 4.829 . 0 0 "[ . 1]" 1
102 1 5 U H1' 1 5 U HO2' 2.500 . 3.200 2.464 1.933 2.989 . 0 0 "[ . 1]" 1
103 1 5 U H1' 1 6 U H6 4.500 2.900 6.100 4.808 4.770 4.825 . 0 0 "[ . 1]" 1
104 1 5 U H1' 1 27 A H2 4.500 2.900 6.100 5.123 5.108 5.138 . 0 0 "[ . 1]" 1
105 1 5 U H3' 1 5 U HO2' 2.500 . 3.200 3.754 3.378 4.062 0.862 9 6 "[* * - *+*]" 1
106 1 5 U HO2' 1 6 U H5 4.500 2.900 6.100 6.048 5.433 6.318 0.218 6 0 "[ . 1]" 1
107 1 5 U HO2' 1 6 U H6 2.500 . 3.200 4.390 3.526 4.758 1.558 5 9 "[ *-*+*****]" 1
108 1 6 U H3 1 7 G H1 3.500 . 5.000 4.770 4.636 4.863 . 0 0 "[ . 1]" 1
109 1 6 U H3 1 26 A H2 2.500 . 3.200 2.808 2.751 2.847 . 0 0 "[ . 1]" 1
110 1 6 U H3 1 27 A H2 3.500 . 5.000 4.019 3.979 4.053 . 0 0 "[ . 1]" 1
111 1 6 U H5 1 6 U H6 2.500 . 3.200 2.422 2.420 2.423 . 0 0 "[ . 1]" 1
112 1 6 U H1' 1 6 U H6 4.500 2.900 6.100 3.623 3.618 3.627 . 0 0 "[ . 1]" 1
113 1 6 U H6 1 6 U HO2' 4.500 2.900 6.100 5.020 4.909 5.170 . 0 0 "[ . 1]" 1
114 1 6 U H3' 1 6 U H6 3.500 2.300 4.700 2.762 2.738 2.808 . 0 0 "[ . 1]" 1
115 1 6 U H5'' 1 6 U H6 4.500 2.900 6.100 4.337 4.324 4.350 . 0 0 "[ . 1]" 1
116 1 6 U H6 1 7 G H8 4.500 2.900 6.100 4.532 4.452 4.611 . 0 0 "[ . 1]" 1
117 1 6 U H1' 1 6 U HO2' 2.500 . 3.200 2.427 1.957 3.166 . 0 0 "[ . 1]" 1
118 1 6 U H1' 1 6 U H3' 4.500 2.900 6.100 3.848 3.839 3.853 . 0 0 "[ . 1]" 1
119 1 6 U H1' 1 6 U H4' 3.500 2.300 4.700 3.045 3.036 3.051 . 0 0 "[ . 1]" 1
120 1 6 U H1' 1 7 G H8 4.500 2.900 6.100 4.786 4.761 4.846 . 0 0 "[ . 1]" 1
121 1 6 U H1' 1 27 A H2 3.500 2.300 4.700 3.407 3.206 3.474 . 0 0 "[ . 1]" 1
122 1 6 U H3' 1 6 U HO2' 2.500 . 3.200 3.725 3.343 4.057 0.857 6 6 "[-* .+***1]" 1
123 1 6 U HO2' 1 7 G H8 2.500 . 3.200 4.707 4.425 4.969 1.769 1 10 [+****-****] 1
124 1 6 U HO2' 1 7 G H1' 4.500 2.900 6.100 5.393 4.789 5.865 . 0 0 "[ . 1]" 1
125 1 6 U H3' 1 7 G H8 3.500 2.300 4.700 3.544 3.500 3.576 . 0 0 "[ . 1]" 1
126 1 7 G H1 1 26 A H2 4.500 2.900 6.100 4.754 4.631 4.801 . 0 0 "[ . 1]" 1
127 1 7 G H1 1 25 C H41 3.500 2.300 4.700 2.392 2.381 2.403 . 0 0 "[ . 1]" 1
128 1 7 G H1 1 25 C H42 3.500 2.300 4.700 3.908 3.901 3.916 . 0 0 "[ . 1]" 1
129 1 7 G H1 1 7 G Q2 3.500 2.300 4.700 2.211 2.202 2.217 0.098 4 0 "[ . 1]" 1
130 1 7 G H1 1 8 A H61 3.500 2.300 4.700 2.391 2.174 3.238 0.126 6 0 "[ . 1]" 1
131 1 7 G H1 1 8 A H62 3.500 2.300 4.700 3.107 2.967 3.355 . 0 0 "[ . 1]" 1
132 1 7 G H1 1 8 A H2 3.500 2.300 4.700 4.569 4.439 4.844 0.144 4 0 "[ . 1]" 1
133 1 7 G H1' 1 7 G H8 4.500 2.900 6.100 3.835 3.818 3.846 . 0 0 "[ . 1]" 1
134 1 7 G H8 1 8 A H8 4.500 2.900 6.100 5.413 5.197 5.648 . 0 0 "[ . 1]" 1
135 1 7 G H1' 1 7 G HO2' 4.500 2.900 6.100 2.219 1.861 3.206 1.039 9 7 "[**-*.* +*]" 1
136 1 7 G H1' 1 8 A H8 4.500 2.900 6.100 4.768 3.959 4.952 . 0 0 "[ . 1]" 1
137 1 7 G H1' 1 26 A H2 3.500 2.300 4.700 3.896 3.672 3.992 . 0 0 "[ . 1]" 1
138 1 7 G H8 1 7 G HO2' 4.500 2.900 6.100 5.257 5.169 5.521 . 0 0 "[ . 1]" 1
139 1 7 G HO2' 1 8 A H8 3.500 2.300 4.700 3.819 2.706 4.534 . 0 0 "[ . 1]" 1
140 1 7 G HO2' 1 8 A H1' 4.500 2.900 6.100 4.429 3.378 5.343 . 0 0 "[ . 1]" 1
141 1 8 A H1' 1 8 A H2 5.000 3.000 7.000 4.481 4.429 4.649 . 0 0 "[ . 1]" 1
142 1 8 A H2 1 9 C H1' 3.500 2.300 4.700 2.842 2.517 3.707 . 0 0 "[ . 1]" 1
143 1 8 A H2 1 25 C H1' 3.500 2.300 4.700 3.636 2.936 3.867 . 0 0 "[ . 1]" 1
144 1 8 A H1' 1 8 A H8 3.500 2.300 4.700 3.898 3.808 3.921 . 0 0 "[ . 1]" 1
145 1 8 A H1' 1 8 A HO2' 3.500 2.300 4.700 2.846 2.052 3.424 0.248 4 0 "[ . 1]" 1
146 1 8 A H8 1 8 A HO2' 3.500 2.300 4.700 4.698 4.158 5.312 0.612 9 1 "[ . +1]" 1
147 1 8 A HO2' 1 9 C H6 4.500 2.900 6.100 2.661 1.798 5.232 1.102 1 8 "[+** -*** *]" 1
148 1 9 C H5 1 9 C H6 3.500 2.300 4.700 2.446 2.432 2.452 . 0 0 "[ . 1]" 1
149 1 9 C H5 1 10 U H5 4.500 2.900 6.100 4.375 3.781 5.048 . 0 0 "[ . 1]" 1
150 1 9 C H1' 1 10 U H6 5.000 3.000 7.000 5.082 4.069 5.622 . 0 0 "[ . 1]" 1
151 1 9 C H6 1 9 C HO2' 4.500 3.300 5.700 5.069 4.874 5.340 . 0 0 "[ . 1]" 1
152 1 9 C HO2' 1 10 U H6 4.500 2.900 6.100 4.622 3.315 5.093 . 0 0 "[ . 1]" 1
153 1 10 U H1' 1 11 G H8 4.500 2.900 6.100 4.651 3.393 5.462 . 0 0 "[ . 1]" 1
154 1 10 U H1' 1 10 U H6 4.500 2.900 6.100 3.644 3.578 3.745 . 0 0 "[ . 1]" 1
155 1 10 U H1' 1 10 U HO2' 3.500 2.300 4.700 2.457 1.946 2.839 0.354 5 0 "[ . 1]" 1
156 1 10 U H6 1 10 U HO2' 4.500 2.900 6.100 4.949 4.689 5.074 . 0 0 "[ . 1]" 1
157 1 10 U H5 1 10 U H6 2.500 . 3.200 2.423 2.415 2.441 . 0 0 "[ . 1]" 1
158 1 10 U H3' 1 10 U H6 3.500 2.300 4.700 2.825 2.294 3.477 0.006 8 0 "[ . 1]" 1
159 1 10 U H6 1 11 G H8 4.500 2.900 6.100 4.973 4.661 5.441 . 0 0 "[ . 1]" 1
160 1 11 G H2' 1 11 G H8 4.500 3.300 5.700 3.461 2.593 3.863 0.707 9 2 "[- . +1]" 1
161 1 11 G H3' 1 11 G H8 3.500 2.300 4.700 3.321 3.035 3.814 . 0 0 "[ . 1]" 1
162 1 11 G H1' 1 11 G H8 4.500 2.900 6.100 3.835 3.781 3.915 . 0 0 "[ . 1]" 1
163 1 11 G H1' 1 11 G HO2' 2.500 . 3.200 2.836 2.279 3.370 0.170 9 0 "[ . 1]" 1
164 1 11 G H1' 1 11 G H3' 4.500 2.900 6.100 3.882 3.843 3.951 . 0 0 "[ . 1]" 1
165 1 11 G H1' 1 12 U H6 4.500 2.900 6.100 4.676 3.177 5.482 . 0 0 "[ . 1]" 1
166 1 11 G H1' 1 11 G H4' 3.500 2.300 4.700 3.005 2.955 3.112 . 0 0 "[ . 1]" 1
167 1 11 G H3' 1 12 U H6 3.500 2.300 4.700 4.080 3.699 4.825 0.125 1 0 "[ . 1]" 1
168 1 11 G H3' 1 11 G H4' 3.500 2.300 4.700 3.016 2.935 3.047 . 0 0 "[ . 1]" 1
169 1 11 G H3' 1 11 G H5'' 3.500 2.300 4.700 3.037 2.727 3.180 . 0 0 "[ . 1]" 1
170 1 11 G H5' 1 11 G H8 4.500 2.900 6.100 4.223 3.954 4.580 . 0 0 "[ . 1]" 1
171 1 11 G H5'' 1 11 G H8 4.500 2.900 6.100 4.844 4.650 5.037 . 0 0 "[ . 1]" 1
172 1 12 U H5 1 12 U H6 2.500 . 3.200 2.427 2.424 2.429 . 0 0 "[ . 1]" 1
173 1 12 U H1' 1 12 U H6 4.500 2.900 6.100 3.600 3.585 3.611 . 0 0 "[ . 1]" 1
174 1 12 U H1' 1 12 U HO2' 2.500 . 3.200 2.813 2.064 3.076 . 0 0 "[ . 1]" 1
175 1 12 U H1' 1 13 U H6 4.500 2.900 6.100 5.204 5.102 5.302 . 0 0 "[ . 1]" 1
176 1 12 U HO2' 1 13 U H6 3.500 . 5.100 4.439 4.214 4.680 . 0 0 "[ . 1]" 1
177 1 13 U H5 1 13 U H6 2.500 . 3.200 2.426 2.420 2.429 . 0 0 "[ . 1]" 1
178 1 13 U H1' 1 13 U H6 4.500 2.900 6.100 3.739 3.730 3.751 . 0 0 "[ . 1]" 1
179 1 13 U H1' 1 13 U HO2' 2.500 . 3.200 2.649 1.963 3.413 0.213 3 0 "[ . 1]" 1
180 1 13 U H1' 1 14 G H8 4.500 2.900 6.100 4.342 3.389 5.539 . 0 0 "[ . 1]" 1
181 1 13 U HO2' 1 14 G H8 3.500 2.300 4.700 2.411 1.873 2.980 0.427 1 0 "[ . 1]" 1
182 1 14 G H4' 1 14 G H8 4.500 2.900 6.100 4.405 4.321 4.523 . 0 0 "[ . 1]" 1
183 1 14 G H1' 1 14 G H8 4.500 2.900 6.100 3.798 3.765 3.915 . 0 0 "[ . 1]" 1
184 1 14 G H1' 1 14 G HO2' 3.500 2.300 4.700 2.715 1.963 3.388 0.337 9 0 "[ . 1]" 1
185 1 14 G H1' 1 14 G H4' 3.500 2.300 4.700 3.104 3.003 3.208 . 0 0 "[ . 1]" 1
186 1 14 G H1' 1 15 A H8 4.500 2.900 6.100 5.031 4.595 5.316 . 0 0 "[ . 1]" 1
187 1 14 G HO2' 1 15 A H8 2.500 . 3.200 2.862 2.014 4.067 0.867 4 1 "[ +. 1]" 1
188 1 15 A H1' 1 15 A H8 4.500 2.900 6.100 3.841 3.811 3.922 . 0 0 "[ . 1]" 1
189 1 15 A H1' 1 15 A HO2' 2.500 . 3.200 2.481 1.965 3.397 0.197 5 0 "[ . 1]" 1
190 1 15 A H1' 1 16 A H8 4.500 2.900 6.100 4.794 2.885 5.504 0.015 5 0 "[ . 1]" 1
191 1 15 A HO2' 1 16 A H8 4.500 2.900 6.100 4.314 2.041 4.950 0.859 5 1 "[ + 1]" 1
192 1 16 A H1' 1 16 A H8 4.500 2.900 6.100 3.825 3.786 3.916 . 0 0 "[ . 1]" 1
193 1 16 A H1' 1 17 U H6 4.500 2.900 6.100 4.675 2.999 4.897 . 0 0 "[ . 1]" 1
194 1 16 A HO2' 1 17 U H6 3.500 2.300 4.700 4.249 1.892 4.873 0.408 10 0 "[ . 1]" 1
195 1 17 U H5 1 17 U H6 2.500 . 3.200 2.422 2.416 2.425 . 0 0 "[ . 1]" 1
196 1 17 U H6 1 18 C H5 4.500 2.900 6.100 3.956 3.817 4.087 . 0 0 "[ . 1]" 1
197 1 17 U H1' 1 17 U H6 4.500 2.900 6.100 3.616 3.585 3.629 . 0 0 "[ . 1]" 1
198 1 17 U H1' 1 18 C H6 4.500 2.900 6.100 4.818 4.773 4.842 . 0 0 "[ . 1]" 1
199 1 17 U H3' 1 17 U HO2' 2.500 . 3.200 3.830 3.460 4.073 0.873 5 6 "[ *- +* * *]" 1
200 1 17 U HO2' 1 18 C H6 2.500 . 3.200 4.447 3.648 4.817 1.617 7 9 "[***** +**-]" 1
201 1 18 C H5 1 18 C H6 2.500 . 3.200 2.447 2.444 2.449 . 0 0 "[ . 1]" 1
202 1 18 C H5 1 19 U H5 4.500 2.900 6.100 3.669 3.573 3.769 . 0 0 "[ . 1]" 1
203 1 18 C H5 1 19 U H6 4.500 2.900 6.100 5.437 5.353 5.508 . 0 0 "[ . 1]" 1
204 1 18 C H6 1 19 U H5 4.500 2.900 6.100 3.955 3.849 4.047 . 0 0 "[ . 1]" 1
205 1 18 C H6 1 19 U H6 4.500 2.900 6.100 4.684 4.613 4.748 . 0 0 "[ . 1]" 1
206 1 18 C H1' 1 18 C H6 4.500 2.900 6.100 3.623 3.615 3.628 . 0 0 "[ . 1]" 1
207 1 18 C H1' 1 19 U H6 4.500 2.900 6.100 4.817 4.780 4.843 . 0 0 "[ . 1]" 1
208 1 19 U H5 1 19 U H6 2.500 . 3.200 2.421 2.419 2.423 . 0 0 "[ . 1]" 1
209 1 19 U H1' 1 19 U H6 3.500 2.300 4.700 3.618 3.612 3.622 . 0 0 "[ . 1]" 1
210 1 19 U H1' 1 20 C H6 4.500 2.900 6.100 5.078 4.954 5.161 . 0 0 "[ . 1]" 1
211 1 20 C H5 1 20 C H6 2.500 . 3.200 2.448 2.443 2.452 . 0 0 "[ . 1]" 1
212 1 20 C H1' 1 20 C H6 4.500 2.900 4.700 3.736 3.728 3.743 . 0 0 "[ . 1]" 1
213 1 20 C H6 1 21 A H8 4.500 2.900 6.100 6.123 5.790 6.245 0.145 10 0 "[ . 1]" 1
214 1 20 C H1' 1 20 C HO2' 3.500 2.300 4.700 2.356 1.953 3.377 0.347 8 0 "[ . 1]" 1
215 1 20 C H1' 1 21 A H8 3.500 2.300 4.700 4.667 4.251 4.805 0.105 8 0 "[ . 1]" 1
216 1 20 C HO2' 1 21 A H8 3.500 2.300 4.700 2.959 2.206 3.397 0.094 9 0 "[ . 1]" 1
217 1 20 C Q5' 1 20 C HO2' 3.500 2.300 4.700 5.115 4.904 5.310 0.610 9 5 "[*- *.* +1]" 1
218 1 21 A H8 1 22 U H1' 3.500 2.300 4.700 5.531 5.230 5.723 1.023 6 10 [***-*+****] 1
219 1 21 A H8 1 22 U H5 4.500 2.900 6.100 2.851 2.813 2.890 0.087 4 0 "[ . 1]" 1
220 1 21 A H8 1 22 U H6 4.500 2.900 6.100 3.822 3.416 4.027 . 0 0 "[ . 1]" 1
221 1 21 A H1' 1 21 A H2 5.000 . 7.000 4.490 4.426 4.542 . 0 0 "[ . 1]" 1
222 1 21 A H1' 1 21 A H8 3.500 2.300 4.700 3.870 3.844 3.899 . 0 0 "[ . 1]" 1
223 1 21 A H1' 1 22 U H6 4.500 2.900 6.100 5.356 5.197 5.618 . 0 0 "[ . 1]" 1
224 1 22 U H5 1 22 U H6 2.500 . 3.200 2.419 2.414 2.424 . 0 0 "[ . 1]" 1
225 1 21 A H1' 1 22 U H5 4.500 2.900 6.100 5.879 5.640 6.292 0.192 4 0 "[ . 1]" 1
226 1 22 U H1' 1 22 U H6 4.500 2.900 6.100 3.725 3.711 3.739 . 0 0 "[ . 1]" 1
227 1 22 U H1' 1 23 G H8 4.500 2.900 6.100 3.014 2.857 3.218 0.043 4 0 "[ . 1]" 1
228 1 23 G H1' 1 24 G H8 4.500 2.900 6.100 4.791 4.699 4.926 . 0 0 "[ . 1]" 1
229 1 24 G H1' 1 24 G H8 3.500 2.300 4.700 3.821 3.804 3.844 . 0 0 "[ . 1]" 1
230 1 24 G H1' 1 25 C H6 4.500 2.900 6.100 5.063 5.016 5.103 . 0 0 "[ . 1]" 1
231 1 25 C H1' 1 25 C H6 3.500 2.300 4.700 3.584 3.566 3.598 . 0 0 "[ . 1]" 1
232 1 25 C H1' 1 26 A H8 4.500 2.900 6.100 4.814 4.778 4.835 . 0 0 "[ . 1]" 1
233 1 25 C H1' 1 25 C HO2' 3.500 2.300 4.700 2.354 1.940 2.634 0.360 3 0 "[ . 1]" 1
234 1 25 C HO2' 1 26 A H8 2.500 . 3.200 4.670 4.095 4.953 1.753 5 10 [****+****-] 1
235 1 25 C H5 1 25 C H6 3.500 2.300 4.700 2.447 2.446 2.449 . 0 0 "[ . 1]" 1
236 1 25 C H5 1 26 A H8 4.500 2.900 6.100 5.430 5.353 5.485 . 0 0 "[ . 1]" 1
237 1 26 A H2 1 27 A H1' 3.500 2.300 4.700 3.839 3.809 3.894 . 0 0 "[ . 1]" 1
238 1 26 A H2 1 27 A H2 3.500 2.300 4.700 4.734 4.724 4.757 0.057 6 0 "[ . 1]" 1
239 1 6 U H1' 1 26 A H2 5.000 3.000 7.000 5.096 5.074 5.127 . 0 0 "[ . 1]" 1
240 1 26 A H1' 1 26 A H2 5.000 . 7.000 4.660 4.655 4.664 . 0 0 "[ . 1]" 1
241 1 26 A H1' 1 27 A H8 4.500 2.900 6.100 4.806 4.776 4.821 . 0 0 "[ . 1]" 1
242 1 26 A H1' 1 26 A H8 3.500 2.300 4.700 3.807 3.801 3.811 . 0 0 "[ . 1]" 1
243 1 26 A H8 1 26 A HO2' 3.500 2.300 4.700 5.265 5.184 5.437 0.737 10 6 "[*- ** * +]" 1
244 1 26 A HO2' 1 27 A H8 2.500 . 3.200 4.623 4.048 4.934 1.734 2 10 [*+**-*****] 1
245 1 26 A HO2' 1 27 A H1' 4.500 2.900 6.100 5.008 4.058 5.637 . 0 0 "[ . 1]" 1
246 1 26 A H3' 1 26 A H8 3.500 2.300 4.700 3.053 3.026 3.096 . 0 0 "[ . 1]" 1
247 1 26 A H3' 1 27 A H8 3.500 2.300 4.700 3.408 3.386 3.431 . 0 0 "[ . 1]" 1
248 1 27 A H1' 1 27 A H2 4.500 2.900 6.100 4.655 4.646 4.661 . 0 0 "[ . 1]" 1
249 1 27 A H2 1 28 C H1' 3.500 2.300 4.700 3.881 3.834 3.918 . 0 0 "[ . 1]" 1
250 1 27 A H1' 1 27 A H8 4.500 2.900 6.100 3.821 3.812 3.826 . 0 0 "[ . 1]" 1
251 1 27 A H8 1 27 A HO2' 4.500 2.900 6.100 5.243 5.177 5.404 . 0 0 "[ . 1]" 1
252 1 27 A H3' 1 27 A H8 3.500 2.300 4.700 3.013 2.989 3.047 . 0 0 "[ . 1]" 1
253 1 27 A H8 1 28 C H5 4.500 2.900 6.100 3.945 3.916 3.971 . 0 0 "[ . 1]" 1
254 1 27 A H1' 1 27 A HO2' 2.500 . 3.200 2.112 1.930 2.558 . 0 0 "[ . 1]" 1
255 1 27 A H1' 1 27 A H3' 4.500 2.900 6.100 3.839 3.837 3.842 . 0 0 "[ . 1]" 1
256 1 27 A H1' 1 27 A H4' 3.500 2.300 4.700 3.091 3.083 3.102 . 0 0 "[ . 1]" 1
257 1 27 A H1' 1 27 A H5'' 4.500 2.900 6.100 5.140 5.133 5.145 . 0 0 "[ . 1]" 1
258 1 27 A H1' 1 28 C H6 4.500 2.900 6.100 4.773 4.718 4.794 . 0 0 "[ . 1]" 1
259 1 27 A H3' 1 27 A HO2' 2.500 . 3.200 3.939 3.568 4.069 0.869 1 9 "[+-****** *]" 1
260 1 27 A HO2' 1 28 C H5 4.500 2.900 6.100 6.042 5.615 6.323 0.223 9 0 "[ . 1]" 1
261 1 27 A HO2' 1 28 C H6 2.500 . 3.200 4.431 3.811 4.716 1.516 9 10 [******-*+*] 1
262 1 27 A H3' 1 27 A H4' 2.500 . 3.200 3.041 3.036 3.050 . 0 0 "[ . 1]" 1
263 1 27 A H3' 1 27 A H5' 4.500 2.900 6.100 3.771 3.761 3.790 . 0 0 "[ . 1]" 1
264 1 27 A H3' 1 27 A H5'' 3.500 2.300 4.700 3.142 3.132 3.168 . 0 0 "[ . 1]" 1
265 1 27 A H3' 1 28 C H5 4.500 2.900 6.100 3.953 3.929 3.985 . 0 0 "[ . 1]" 1
266 1 27 A H3' 1 28 C H6 3.500 2.300 4.700 3.451 3.422 3.470 . 0 0 "[ . 1]" 1
267 1 28 C H5 1 28 C H6 2.500 . 3.200 2.451 2.448 2.454 . 0 0 "[ . 1]" 1
268 1 28 C H3' 1 28 C H5 4.500 2.900 6.100 4.745 4.732 4.758 . 0 0 "[ . 1]" 1
269 1 28 C H5 1 29 A H8 4.500 2.900 6.100 5.178 5.149 5.192 . 0 0 "[ . 1]" 1
270 1 28 C H1' 1 28 C H6 4.500 2.900 6.100 3.634 3.622 3.639 . 0 0 "[ . 1]" 1
271 1 28 C H6 1 28 C HO2' 4.500 2.900 6.100 4.992 4.917 5.178 . 0 0 "[ . 1]" 1
272 1 28 C H3' 1 28 C H6 3.500 2.300 4.700 2.715 2.690 2.762 . 0 0 "[ . 1]" 1
273 1 28 C H5' 1 28 C H6 4.500 2.900 6.100 3.767 3.740 3.785 . 0 0 "[ . 1]" 1
274 1 28 C H5'' 1 28 C H6 4.500 2.900 6.100 4.306 4.294 4.328 . 0 0 "[ . 1]" 1
275 1 28 C H6 1 29 A H8 4.500 2.900 6.100 4.514 4.489 4.536 . 0 0 "[ . 1]" 1
276 1 28 C H1' 1 28 C HO2' 2.500 . 3.200 2.280 1.951 2.622 . 0 0 "[ . 1]" 1
277 1 28 C H1' 1 28 C H3' 4.500 2.900 6.100 3.835 3.833 3.840 . 0 0 "[ . 1]" 1
278 1 28 C H1' 1 28 C H4' 3.500 2.300 4.700 3.067 3.049 3.087 . 0 0 "[ . 1]" 1
279 1 28 C H1' 1 28 C H5'' 4.500 2.900 6.100 5.145 5.137 5.151 . 0 0 "[ . 1]" 1
280 1 28 C H1' 1 29 A H8 4.500 2.900 6.100 4.759 4.724 4.773 . 0 0 "[ . 1]" 1
281 1 28 C H3' 1 28 C HO2' 2.500 . 3.200 3.822 3.531 4.058 0.858 4 6 "[***+* - 1]" 1
282 1 28 C HO2' 1 29 A H8 2.500 . 3.200 4.690 4.070 4.965 1.765 8 10 [**-****+**] 1
283 1 28 C HO2' 1 29 A H1' 4.500 2.900 6.100 5.087 4.033 5.671 . 0 0 "[ . 1]" 1
284 1 28 C H3' 1 28 C H4' 4.500 2.900 6.100 3.042 3.037 3.051 . 0 0 "[ . 1]" 1
285 1 28 C H4' 1 28 C H5' 4.500 2.900 6.100 2.512 2.501 2.518 0.399 6 0 "[ . 1]" 1
286 1 29 A H1' 1 29 A H2 5.000 . 7.000 4.658 4.648 4.664 . 0 0 "[ . 1]" 1
287 1 29 A H2 1 30 C H1' 3.500 2.300 4.700 3.784 3.749 3.809 . 0 0 "[ . 1]" 1
288 1 29 A H1' 1 29 A H8 4.500 2.900 6.100 3.814 3.805 3.819 . 0 0 "[ . 1]" 1
289 1 29 A H3' 1 29 A H8 3.500 2.300 4.700 3.085 3.064 3.122 . 0 0 "[ . 1]" 1
290 1 29 A H8 1 30 C H5 4.500 2.900 6.100 3.968 3.939 3.991 . 0 0 "[ . 1]" 1
291 1 29 A H1' 1 29 A HO2' 2.500 . 3.200 2.228 1.930 2.993 . 0 0 "[ . 1]" 1
292 1 29 A H1' 1 30 C H5 4.500 2.900 6.100 5.580 5.559 5.598 . 0 0 "[ . 1]" 1
293 1 29 A H1' 1 30 C H6 4.500 2.900 6.100 4.773 4.723 4.796 . 0 0 "[ . 1]" 1
294 1 29 A H3' 1 29 A HO2' 2.500 . 3.200 3.870 3.380 4.050 0.850 4 8 "[** +**-**1]" 1
295 1 29 A HO2' 1 30 C H5 4.500 2.900 6.100 6.060 5.565 6.344 0.244 3 0 "[ . 1]" 1
296 1 29 A HO2' 1 30 C H6 2.500 . 3.200 4.413 3.698 4.718 1.518 3 9 "[*-+** ****]" 1
297 1 29 A HO2' 1 30 C H1' 4.500 2.900 6.100 4.897 3.892 5.632 . 0 0 "[ . 1]" 1
298 1 29 A H3' 1 30 C H6 3.500 2.300 4.700 3.468 3.425 3.501 . 0 0 "[ . 1]" 1
299 1 30 C H3' 1 30 C H5 4.500 2.900 6.100 4.846 4.835 4.859 . 0 0 "[ . 1]" 1
300 1 30 C H5 1 30 C H6 2.500 . 3.200 2.449 2.446 2.452 . 0 0 "[ . 1]" 1
301 1 30 C H5 1 31 C H5 4.500 2.900 6.100 3.993 3.960 4.031 . 0 0 "[ . 1]" 1
302 1 30 C H1' 1 30 C H6 4.500 2.900 6.100 3.626 3.616 3.629 . 0 0 "[ . 1]" 1
303 1 30 C H3' 1 30 C H6 3.500 2.300 4.700 2.801 2.780 2.849 . 0 0 "[ . 1]" 1
304 1 30 C H5' 1 30 C H6 3.500 2.300 4.700 3.780 3.754 3.801 . 0 0 "[ . 1]" 1
305 1 30 C H1' 1 30 C HO2' 2.500 . 3.200 2.363 1.925 2.731 . 0 0 "[ . 1]" 1
306 1 30 C H1' 1 30 C H3' 3.500 2.300 4.700 3.844 3.841 3.848 . 0 0 "[ . 1]" 1
307 1 30 C H1' 1 30 C H4' 3.500 2.300 4.700 3.052 3.042 3.062 . 0 0 "[ . 1]" 1
308 1 30 C H1' 1 31 C H4' 5.500 3.900 7.100 6.004 5.987 6.027 . 0 0 "[ . 1]" 1
309 1 30 C H1' 1 31 C H6 4.500 2.900 6.100 4.838 4.819 4.850 . 0 0 "[ . 1]" 1
310 1 30 C H3' 1 30 C HO2' 2.500 . 3.200 3.805 3.486 4.062 0.862 8 6 "[ - .**+**]" 1
311 1 30 C H4' 1 30 C HO2' 4.500 2.900 6.100 2.847 2.216 3.815 0.684 5 5 "[**-*+ 1]" 1
312 1 30 C HO2' 1 31 C H6 2.500 . 3.200 4.422 3.589 4.799 1.599 3 8 "[**+** -**]" 1
313 1 30 C HO2' 1 31 C H1' 4.500 2.900 6.100 5.125 3.970 5.789 . 0 0 "[ . 1]" 1
314 1 30 C H3' 1 30 C H5' 3.500 2.300 4.700 3.789 3.778 3.807 . 0 0 "[ . 1]" 1
315 1 30 C H3' 1 30 C H5'' 2.500 . 3.200 3.150 3.142 3.169 . 0 0 "[ . 1]" 1
316 1 30 C H4' 1 30 C H5' 3.500 2.300 4.700 2.466 2.460 2.469 . 0 0 "[ . 1]" 1
317 1 30 C H4' 1 30 C H5'' 3.500 2.300 4.700 2.449 2.446 2.455 . 0 0 "[ . 1]" 1
318 1 31 C H5 1 31 C H6 2.500 . 3.200 2.432 2.428 2.435 . 0 0 "[ . 1]" 1
319 1 31 C H1' 1 31 C H6 4.500 2.900 6.100 3.630 3.616 3.638 . 0 0 "[ . 1]" 1
320 1 31 C H6 1 31 C HO2' 4.500 2.900 6.100 5.198 4.935 5.326 . 0 0 "[ . 1]" 1
321 1 31 C H3' 1 31 C H6 4.500 2.900 6.100 2.823 2.807 2.850 0.093 5 0 "[ . 1]" 1
322 1 31 C H1' 1 31 C HO2' 2.500 . 3.200 2.911 1.917 3.387 0.187 3 0 "[ . 1]" 1
323 1 31 C H1' 1 31 C H3' 4.500 2.900 6.100 3.871 3.862 3.878 . 0 0 "[ . 1]" 1
324 1 31 C H1' 1 31 C H4' 3.500 2.300 4.700 3.002 2.994 3.023 . 0 0 "[ . 1]" 1
325 1 31 C H1' 1 31 C H5' 4.500 2.900 6.100 4.560 4.551 4.570 . 0 0 "[ . 1]" 1
326 1 31 C H1' 1 31 C H5'' 4.500 2.900 6.100 5.102 5.095 5.109 . 0 0 "[ . 1]" 1
327 1 31 C H3' 1 31 C HO2' 2.500 . 3.200 3.704 3.330 4.035 0.835 6 4 "[ - .+* *1]" 1
328 1 31 C H5' 1 31 C HO2' 4.500 2.900 6.100 5.740 4.797 6.142 0.042 2 0 "[ . 1]" 1
329 1 31 C H5'' 1 31 C HO2' 4.500 2.900 6.100 5.348 4.468 5.863 . 0 0 "[ . 1]" 1
330 1 31 C H3' 1 31 C H4' 3.500 2.300 4.700 3.031 3.028 3.036 . 0 0 "[ . 1]" 1
331 1 31 C H3' 1 31 C H5' 3.500 2.300 4.700 3.722 3.710 3.744 . 0 0 "[ . 1]" 1
332 1 31 C H3' 1 31 C H5'' 2.500 . 3.200 3.079 3.055 3.101 . 0 0 "[ . 1]" 1
333 1 31 C H4' 1 31 C H5' 4.500 2.900 6.100 2.526 2.515 2.533 0.385 6 0 "[ . 1]" 1
334 1 31 C H4' 1 31 C H5'' 3.500 2.300 4.700 2.470 2.457 2.482 . 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 37
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 U 0.000 0.000 . 0 "[ . 1]"
1 4 G 0.000 0.000 . 0 "[ . 1]"
1 5 U 0.000 0.000 . 0 "[ . 1]"
1 6 U 0.000 0.000 . 0 "[ . 1]"
1 7 G 0.000 0.000 . 0 "[ . 1]"
1 9 C 0.000 0.000 . 0 "[ . 1]"
1 24 G 0.000 0.000 . 0 "[ . 1]"
1 25 C 0.000 0.000 . 0 "[ . 1]"
1 26 A 0.000 0.000 . 0 "[ . 1]"
1 27 A 0.000 0.000 . 0 "[ . 1]"
1 28 C 0.000 0.000 . 0 "[ . 1]"
1 29 A 0.000 0.000 . 0 "[ . 1]"
1 30 C 0.000 0.000 . 0 "[ . 1]"
1 31 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 31 C N3 2.870 2.670 3.070 2.851 2.849 2.853 . 0 0 "[ . 1]" 2
2 1 1 G H1 1 31 C N3 1.860 . 2.060 1.857 1.855 1.858 . 0 0 "[ . 1]" 2
3 1 1 G O6 1 31 C N4 2.810 2.610 3.010 2.824 2.820 2.826 . 0 0 "[ . 1]" 2
4 1 1 G N2 1 31 C O2 2.810 2.610 3.010 2.831 2.828 2.841 . 0 0 "[ . 1]" 2
5 1 1 G N2 1 31 C N3 3.580 3.380 3.780 3.563 3.560 3.565 . 0 0 "[ . 1]" 2
6 1 1 G O6 1 31 C N3 3.630 3.430 3.830 3.611 3.608 3.613 . 0 0 "[ . 1]" 2
7 1 2 G N1 1 30 C N3 2.870 2.670 3.070 2.858 2.857 2.860 . 0 0 "[ . 1]" 2
8 1 2 G H1 1 30 C N3 1.860 . 2.060 1.851 1.849 1.852 . 0 0 "[ . 1]" 2
9 1 2 G O6 1 30 C N4 2.810 2.610 3.010 2.831 2.830 2.836 . 0 0 "[ . 1]" 2
10 1 2 G N2 1 30 C O2 2.810 2.610 3.010 2.817 2.815 2.819 . 0 0 "[ . 1]" 2
11 1 2 G N2 1 30 C N3 3.580 3.380 3.780 3.566 3.565 3.568 . 0 0 "[ . 1]" 2
12 1 2 G O6 1 30 C N3 3.630 3.430 3.830 3.615 3.614 3.615 . 0 0 "[ . 1]" 2
13 1 3 U N3 1 29 A N1 2.730 2.530 2.930 2.739 2.733 2.744 . 0 0 "[ . 1]" 2
14 1 3 U O4 1 29 A N6 2.920 2.720 3.120 2.896 2.895 2.898 . 0 0 "[ . 1]" 2
15 1 3 U H3 1 29 A N1 1.730 . 1.930 1.734 1.729 1.737 . 0 0 "[ . 1]" 2
16 1 4 G N1 1 28 C N3 2.870 2.670 3.070 2.854 2.852 2.856 . 0 0 "[ . 1]" 2
17 1 4 G H1 1 28 C N3 1.860 . 2.060 1.847 1.845 1.848 . 0 0 "[ . 1]" 2
18 1 4 G O6 1 28 C N4 2.810 2.610 3.010 2.836 2.832 2.839 . 0 0 "[ . 1]" 2
19 1 4 G N2 1 28 C O2 2.810 2.610 3.010 2.806 2.802 2.808 . 0 0 "[ . 1]" 2
20 1 4 G N2 1 28 C N3 3.580 3.380 3.780 3.575 3.574 3.577 . 0 0 "[ . 1]" 2
21 1 4 G O6 1 28 C N3 3.630 3.430 3.830 3.606 3.604 3.608 . 0 0 "[ . 1]" 2
22 1 5 U N3 1 27 A N1 2.730 2.530 2.930 2.736 2.731 2.743 . 0 0 "[ . 1]" 2
23 1 5 U O4 1 27 A N6 2.920 2.720 3.120 2.901 2.898 2.904 . 0 0 "[ . 1]" 2
24 1 5 U H3 1 27 A N1 1.730 . 1.930 1.737 1.731 1.742 . 0 0 "[ . 1]" 2
25 1 6 U N3 1 26 A N1 2.730 2.530 2.930 2.737 2.732 2.742 . 0 0 "[ . 1]" 2
26 1 6 U O4 1 26 A N6 2.920 2.720 3.120 2.900 2.893 2.905 . 0 0 "[ . 1]" 2
27 1 6 U H3 1 26 A N1 1.730 . 1.930 1.732 1.727 1.737 . 0 0 "[ . 1]" 2
28 1 7 G N1 1 25 C N3 2.870 2.670 3.070 2.865 2.858 2.873 . 0 0 "[ . 1]" 2
29 1 7 G H1 1 25 C N3 1.860 . 2.060 1.861 1.857 1.868 . 0 0 "[ . 1]" 2
30 1 7 G O6 1 25 C N4 2.810 2.610 3.010 2.791 2.782 2.803 . 0 0 "[ . 1]" 2
31 1 7 G N2 1 25 C O2 2.810 2.610 3.010 2.828 2.821 2.848 . 0 0 "[ . 1]" 2
32 1 7 G N2 1 25 C N3 3.580 3.380 3.780 3.575 3.568 3.579 . 0 0 "[ . 1]" 2
33 1 7 G O6 1 25 C N3 3.630 3.430 3.830 3.631 3.626 3.637 . 0 0 "[ . 1]" 2
34 1 9 C N4 1 24 G O6 2.810 2.610 3.010 2.802 2.788 2.816 . 0 0 "[ . 1]" 2
35 1 9 C H41 1 24 G O6 1.860 . 2.060 1.849 1.826 1.874 . 0 0 "[ . 1]" 2
36 1 9 C O2 1 24 G N2 2.810 2.610 3.010 2.651 2.617 2.692 . 0 0 "[ . 1]" 2
37 1 9 C O2 1 24 G H21 1.860 . 2.060 1.945 1.924 1.972 . 0 0 "[ . 1]" 2
stop_
save_
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