NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
471570 |
2kx5   |
16941 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kx5
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 398
_Distance_constraint_stats_list.Viol_count 756
_Distance_constraint_stats_list.Viol_total 4249.673
_Distance_constraint_stats_list.Viol_max 2.764
_Distance_constraint_stats_list.Viol_rms 0.3504
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1068
_Distance_constraint_stats_list.Viol_average_violations_only 0.5621
_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 18.733 1.689 5 10 [****+****-]
1 2 G 33.573 1.689 5 10 [*-**+*****]
1 3 C 30.056 1.695 6 10 [*-***+****]
1 4 A 32.129 1.695 6 10 [*****+****]
1 5 G 31.647 1.814 7 10 [*****-+***]
1 6 A 24.945 1.814 7 10 [******+-**]
1 7 U 12.811 1.241 4 10 [***+***-**]
1 8 C 30.827 2.167 3 10 [**+*****-*]
1 9 U 14.815 1.906 6 9 [*****+**-1]
1 10 G 11.470 0.976 3 4 "[- + .* *1]"
1 11 A 11.941 1.017 1 7 "[+*- .* ***]"
1 12 G 10.948 1.364 2 6 "[-+**. * *1]"
1 13 C 20.740 1.431 1 8 "[+-**. ****]"
1 14 C 12.789 1.431 1 7 "[+ *-. ****]"
1 15 U 1.889 0.407 3 0 "[ . 1]"
1 16 G 1.999 0.329 5 0 "[ . 1]"
1 17 G 1.999 0.329 5 0 "[ . 1]"
1 18 G 26.533 2.297 9 10 [*******-+*]
1 19 A 6.168 0.403 9 0 "[ . 1]"
1 20 G 12.380 1.704 3 8 "[ *+-* ****]"
1 21 C 27.900 1.704 3 10 [**+**-****]
1 22 U 16.329 1.626 4 8 "[***+.-* **]"
1 23 C 51.439 2.395 4 10 [-**+******]
1 24 U 57.611 2.764 6 10 [****-+****]
1 25 C 44.644 2.764 6 10 [**-**+****]
1 26 U 30.457 1.979 5 10 [**-*+*****]
1 27 G 36.613 1.979 5 10 [*-**+*****]
1 28 C 32.318 1.672 10 10 [*****-***+]
1 29 C 20.796 1.672 10 10 [******-**+]
2 1 ARG 0.454 0.263 3 0 "[ . 1]"
2 2 VAL 10.381 0.403 9 0 "[ . 1]"
2 3 ARG 4.771 0.471 8 0 "[ . 1]"
2 4 CYS 0.000 0.000 . 0 "[ . 1]"
2 5 ARG 2.408 0.208 6 0 "[ . 1]"
2 6 GLN 0.355 0.169 4 0 "[ . 1]"
2 7 ARG 1.751 0.230 8 0 "[ . 1]"
2 8 LYS 4.524 0.477 8 0 "[ . 1]"
2 9 GLY 1.042 0.479 7 0 "[ . 1]"
2 10 ARG 9.834 0.479 7 0 "[ . 1]"
2 11 ARG 1.620 0.203 4 0 "[ . 1]"
2 12 ILE 1.325 0.175 7 0 "[ . 1]"
2 13 CYS 1.057 0.345 7 0 "[ . 1]"
2 14 ILE 2.287 0.456 2 0 "[ . 1]"
2 15 ARG 4.958 0.375 3 0 "[ . 1]"
2 16 ILE 0.625 0.296 2 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 2 G H1 1 27 G H1 5.000 . 7.000 3.716 3.525 3.773 . 0 0 "[ . 1]" 1
2 1 2 G H1 1 28 C H1' 5.000 . 7.000 5.203 5.092 5.380 . 0 0 "[ . 1]" 1
3 1 2 G H1 1 28 C H5 5.000 . 7.000 5.072 4.934 5.135 . 0 0 "[ . 1]" 1
4 1 5 G H1 1 6 A H1' 3.500 . 5.000 5.067 5.013 5.134 0.134 9 0 "[ . 1]" 1
5 1 5 G H1 1 6 A H2 3.500 . 5.000 4.095 3.989 4.187 . 0 0 "[ . 1]" 1
6 1 5 G H1 1 24 U H3 5.000 . 7.000 4.072 3.919 4.206 . 0 0 "[ . 1]" 1
7 1 5 G H1 1 24 U H5 5.000 . 7.000 6.370 6.194 6.602 . 0 0 "[ . 1]" 1
8 1 5 G H1 1 25 C H5 5.000 . 7.000 4.976 4.864 5.164 . 0 0 "[ . 1]" 1
9 1 5 G H1 1 26 U H3 5.000 . 7.000 3.740 3.684 3.844 . 0 0 "[ . 1]" 1
10 1 5 G H1 1 26 U H5 5.000 . 7.000 4.773 4.677 4.809 . 0 0 "[ . 1]" 1
11 1 10 G H1 1 11 A H2 5.000 . 7.000 4.819 4.698 4.968 . 0 0 "[ . 1]" 1
12 1 10 G H1 1 22 U H3 5.000 . 7.000 4.535 4.436 4.624 . 0 0 "[ . 1]" 1
13 1 10 G H1 1 22 U H5 5.000 . 7.000 7.140 7.076 7.198 0.198 10 0 "[ . 1]" 1
14 1 10 G H1 1 23 C H6 5.000 . 7.000 5.478 5.418 5.540 . 0 0 "[ . 1]" 1
15 1 10 G H1 1 24 U H3 5.000 . 7.000 3.237 3.121 3.598 . 0 0 "[ . 1]" 1
16 1 11 A H2 1 12 G H1 5.000 . 7.000 5.365 5.190 5.545 . 0 0 "[ . 1]" 1
17 1 12 G H1 1 13 C H5 5.000 . 7.000 5.186 5.003 5.315 . 0 0 "[ . 1]" 1
18 1 12 G H1 1 13 C H6 5.000 . 7.000 5.725 5.652 5.791 . 0 0 "[ . 1]" 1
19 1 12 G H1 1 20 G H1 5.000 . 7.000 3.573 3.412 3.749 . 0 0 "[ . 1]" 1
20 1 12 G H1 1 22 U H1' 5.000 . 7.000 5.140 4.871 5.367 . 0 0 "[ . 1]" 1
21 1 12 G H1 1 22 U H3 5.000 . 7.000 3.985 3.792 4.188 . 0 0 "[ . 1]" 1
22 1 12 G H1 1 22 U H5 5.000 . 7.000 4.907 4.718 5.060 . 0 0 "[ . 1]" 1
23 1 13 C H5 1 20 G H1 5.000 . 7.000 4.884 4.786 5.210 . 0 0 "[ . 1]" 1
24 1 20 G H1 1 21 C H1' 5.000 . 7.000 5.367 5.151 5.591 . 0 0 "[ . 1]" 1
25 1 11 A H2 1 22 U H3 3.500 . 5.000 2.562 2.494 2.691 . 0 0 "[ . 1]" 1
26 1 22 U H3 1 23 C H6 5.000 . 7.000 4.368 4.293 4.454 . 0 0 "[ . 1]" 1
27 1 6 A H1' 1 24 U H3 5.000 . 7.000 6.609 6.565 6.672 . 0 0 "[ . 1]" 1
28 1 6 A H2 1 24 U H3 3.500 . 5.000 2.605 2.536 2.701 . 0 0 "[ . 1]" 1
29 1 24 U H3 1 24 U H5 5.000 . 7.000 4.216 4.215 4.217 . 0 0 "[ . 1]" 1
30 1 24 U H3 1 25 C H5 5.000 . 7.000 4.430 4.373 4.596 . 0 0 "[ . 1]" 1
31 1 4 A H2 1 26 U H3 3.500 . 5.000 2.464 2.410 2.512 . 0 0 "[ . 1]" 1
32 1 26 U H3 1 26 U H5 5.000 . 7.000 4.216 4.215 4.216 . 0 0 "[ . 1]" 1
33 1 3 C H5 1 27 G H1 5.000 . 7.000 4.990 4.837 5.276 . 0 0 "[ . 1]" 1
34 1 4 A H1' 1 27 G H1 3.500 . 5.000 4.939 4.678 5.115 0.115 6 0 "[ . 1]" 1
35 1 27 G H1 1 28 C H1' 5.000 . 7.000 5.297 4.954 5.470 . 0 0 "[ . 1]" 1
36 1 1 G H1' 1 1 G H8 4.500 2.900 6.100 3.774 3.773 3.776 . 0 0 "[ . 1]" 1
37 1 1 G H1' 1 1 G HO2' 3.500 2.300 4.700 2.371 1.935 3.132 0.365 9 0 "[ . 1]" 1
38 1 1 G H1' 1 2 G H8 4.500 2.900 6.100 4.739 4.717 4.777 . 0 0 "[ . 1]" 1
39 1 1 G HO2' 1 2 G H8 2.500 . 3.200 4.500 3.781 4.889 1.689 5 10 [****+****-] 1
40 1 1 G HO2' 1 2 G H1' 3.500 2.300 4.700 4.913 3.933 5.700 1.000 4 4 "[ *+- * 1]" 1
41 1 1 G H8 1 2 G H8 3.500 2.300 4.700 4.696 4.669 4.716 0.016 4 0 "[ . 1]" 1
42 1 2 G H1' 1 2 G H8 3.500 2.300 4.700 3.776 3.775 3.777 . 0 0 "[ . 1]" 1
43 1 2 G H1' 1 2 G HO2' 2.500 . 3.200 2.220 1.934 2.724 . 0 0 "[ . 1]" 1
44 1 2 G H1' 1 2 G H3' 3.500 2.300 4.700 3.842 3.840 3.843 . 0 0 "[ . 1]" 1
45 1 2 G HO2' 1 3 C H5 4.500 2.900 6.100 6.370 5.791 6.676 0.576 2 1 "[ + . 1]" 1
46 1 2 G HO2' 1 3 C H6 2.500 . 3.200 4.553 3.786 4.828 1.628 2 10 [*+***-****] 1
47 1 2 G H3' 1 3 C H5 3.500 2.300 4.700 4.318 4.238 4.391 . 0 0 "[ . 1]" 1
48 1 2 G H1' 1 3 C H1' 4.500 2.900 6.100 5.628 5.569 5.694 . 0 0 "[ . 1]" 1
49 1 3 C H1' 1 3 C H6 3.500 2.300 4.700 3.612 3.611 3.614 . 0 0 "[ . 1]" 1
50 1 3 C H1' 1 3 C HO2' 2.500 . 3.200 2.367 1.920 3.045 . 0 0 "[ . 1]" 1
51 1 3 C H1' 1 4 A H8 4.500 2.900 6.100 4.731 4.673 4.749 . 0 0 "[ . 1]" 1
52 1 3 C HO2' 1 4 A H1' 4.500 2.900 6.100 5.029 3.871 5.657 . 0 0 "[ . 1]" 1
53 1 3 C HO2' 1 4 A H8 2.500 . 3.200 4.552 3.864 4.895 1.695 6 10 [*-***+****] 1
54 1 3 C H1' 1 4 A H1' 4.500 2.900 6.100 5.586 5.513 5.635 . 0 0 "[ . 1]" 1
55 1 4 A H1' 1 4 A H8 4.500 2.900 6.100 3.777 3.775 3.779 . 0 0 "[ . 1]" 1
56 1 4 A H1' 1 4 A HO2' 2.500 . 3.200 2.806 2.535 3.114 . 0 0 "[ . 1]" 1
57 1 4 A H1' 1 4 A H2 4.500 2.900 6.100 4.661 4.658 4.664 . 0 0 "[ . 1]" 1
58 1 4 A H2 1 4 A HO2' 4.500 2.900 6.100 5.891 4.933 6.571 0.471 4 0 "[ . 1]" 1
59 1 4 A H1' 1 5 G H8 4.500 2.900 6.100 4.627 4.594 4.659 . 0 0 "[ . 1]" 1
60 1 4 A H1' 1 5 G H1' 4.500 2.900 6.100 5.613 5.593 5.658 . 0 0 "[ . 1]" 1
61 1 4 A HO2' 1 5 G H1' 4.500 2.900 6.100 4.934 3.868 5.738 . 0 0 "[ . 1]" 1
62 1 4 A HO2' 1 5 G H8 2.500 . 3.200 4.393 3.761 4.871 1.671 5 10 [****+-****] 1
63 1 4 A H2 1 5 G H1' 3.500 2.300 4.700 3.856 3.817 3.922 . 0 0 "[ . 1]" 1
64 1 4 A H2 1 5 G HO2' 4.500 2.900 6.100 5.773 5.528 6.328 0.228 5 0 "[ . 1]" 1
65 1 4 A H2 1 5 G H8 3.500 2.300 4.700 5.086 5.014 5.130 0.430 4 0 "[ . 1]" 1
66 1 4 A H2 1 27 G H1' 4.500 2.900 6.100 3.899 3.766 4.106 . 0 0 "[ . 1]" 1
67 1 5 G H1' 1 5 G H8 4.500 2.900 6.100 3.772 3.770 3.774 . 0 0 "[ . 1]" 1
68 1 5 G H1' 1 5 G HO2' 2.500 . 3.200 2.147 1.918 2.522 . 0 0 "[ . 1]" 1
69 1 5 G H8 1 5 G HO2' 4.500 2.900 6.100 5.230 5.161 5.313 . 0 0 "[ . 1]" 1
70 1 5 G H1' 1 6 A H8 4.500 2.900 6.100 4.875 4.845 4.901 . 0 0 "[ . 1]" 1
71 1 5 G HO2' 1 6 A H1' 4.500 2.900 6.100 4.759 4.051 5.602 . 0 0 "[ . 1]" 1
72 1 5 G HO2' 1 6 A H8 2.500 . 3.200 4.631 4.242 5.014 1.814 7 10 [******+**-] 1
73 1 5 G H8 1 6 A H8 4.500 2.900 6.100 4.617 4.573 4.712 . 0 0 "[ . 1]" 1
74 1 6 A H1' 1 6 A H8 4.500 2.900 6.100 3.791 3.788 3.795 . 0 0 "[ . 1]" 1
75 1 6 A H1' 1 6 A HO2' 2.500 . 3.200 2.368 1.920 2.652 . 0 0 "[ . 1]" 1
76 1 6 A H1' 1 6 A H2 4.500 2.900 6.100 4.617 4.611 4.622 . 0 0 "[ . 1]" 1
77 1 6 A H2 1 6 A HO2' 3.500 2.300 4.700 5.325 4.743 6.343 1.643 6 5 "[*** .+ - 1]" 1
78 1 6 A H1' 1 10 G H8 4.500 2.900 6.100 5.816 5.587 6.100 . 10 0 "[ . 1]" 1
79 1 6 A HO2' 1 10 G H8 3.500 2.300 4.700 4.689 3.791 5.676 0.976 3 3 "[- + .* 1]" 1
80 1 6 A H2 1 10 G H8 4.500 2.900 6.100 4.264 3.885 4.783 . 0 0 "[ . 1]" 1
81 1 6 A H2 1 25 C H1' 3.500 2.300 4.700 4.217 4.077 4.483 . 0 0 "[ . 1]" 1
82 1 7 U H1' 1 7 U H6 4.500 2.900 6.100 3.728 3.727 3.729 . 0 0 "[ . 1]" 1
83 1 7 U H1' 1 7 U HO2' 3.500 2.300 4.700 3.255 2.720 3.469 . 0 0 "[ . 1]" 1
84 1 7 U H6 1 7 U HO2' 2.500 . 3.200 4.106 3.849 4.441 1.241 4 10 [***+***-**] 1
85 1 7 U H1' 1 10 G H8 3.500 2.300 4.700 2.990 2.801 3.233 . 0 0 "[ . 1]" 1
86 1 7 U H1' 1 10 G H3' 3.500 2.300 4.700 3.255 3.142 3.444 . 0 0 "[ . 1]" 1
87 1 8 C H1' 1 8 C H6 3.500 2.300 4.700 3.612 3.603 3.632 . 0 0 "[ . 1]" 1
88 1 8 C H1' 1 8 C HO2' 2.500 . 3.200 2.745 1.904 3.215 0.015 9 0 "[ . 1]" 1
89 1 8 C H6 1 8 C HO2' 2.500 . 3.200 5.183 4.964 5.367 2.167 3 10 [**+****-**] 1
90 1 8 C HO2' 1 9 U H5 3.500 2.300 4.700 5.770 4.934 6.606 1.906 6 8 "[** **+**-1]" 1
91 1 9 U H1' 1 9 U H6 3.500 2.300 4.700 3.704 3.584 3.734 . 0 0 "[ . 1]" 1
92 1 9 U H1' 1 9 U HO2' 2.500 . 3.200 2.680 1.925 3.333 0.133 10 0 "[ . 1]" 1
93 1 9 U H6 1 9 U HO2' 3.500 2.300 4.700 4.669 4.238 5.491 0.791 6 2 "[ -+ 1]" 1
94 1 9 U HO2' 1 10 G H8 5.000 . 7.000 7.049 6.253 7.841 0.841 9 3 "[- * . +1]" 1
95 1 10 G H1' 1 10 G H8 4.500 2.900 6.100 3.766 3.755 3.777 . 0 0 "[ . 1]" 1
96 1 10 G H1' 1 10 G HO2' 3.500 2.300 4.700 2.030 1.890 2.404 0.410 9 0 "[ . 1]" 1
97 1 10 G H1' 1 11 A H8 4.500 2.900 6.100 4.631 4.593 4.655 . 0 0 "[ . 1]" 1
98 1 10 G HO2' 1 11 A H8 3.500 2.300 4.700 4.571 4.043 4.961 0.261 1 0 "[ . 1]" 1
99 1 10 G H3' 1 11 A H8 4.500 2.900 6.100 3.949 3.909 3.989 . 0 0 "[ . 1]" 1
100 1 11 A H1' 1 11 A H8 4.500 2.900 6.100 3.776 3.772 3.781 . 0 0 "[ . 1]" 1
101 1 11 A H1' 1 11 A HO2' 4.500 2.900 6.100 2.243 1.883 2.784 1.017 1 7 "[+*- .* ***]" 1
102 1 11 A H1' 1 12 G H8 4.500 2.900 6.100 4.688 4.614 4.755 . 0 0 "[ . 1]" 1
103 1 11 A HO2' 1 12 G H8 3.500 2.300 4.700 4.032 3.270 4.696 . 0 0 "[ . 1]" 1
104 1 11 A H2 1 12 G H1' 4.500 2.900 6.100 3.872 3.683 4.051 . 0 0 "[ . 1]" 1
105 1 11 A H2 1 23 C H1' 3.500 2.300 4.700 3.621 3.455 3.793 . 0 0 "[ . 1]" 1
106 1 11 A H2 1 23 C HO2' 4.500 2.900 6.100 6.026 5.121 6.790 0.690 2 2 "[-+ . 1]" 1
107 1 12 G H1' 1 12 G H8 4.500 2.900 6.100 3.781 3.777 3.785 . 0 0 "[ . 1]" 1
108 1 12 G H1' 1 12 G HO2' 2.500 2.300 3.200 2.230 1.903 2.704 0.397 7 0 "[ . 1]" 1
109 1 12 G H1' 1 13 C H6 4.500 2.900 4.700 4.663 4.643 4.672 . 0 0 "[ . 1]" 1
110 1 12 G H1' 1 13 C H1' 4.500 2.900 6.100 5.631 5.546 5.720 . 0 0 "[ . 1]" 1
111 1 12 G HO2' 1 13 C H5 4.500 2.900 6.100 5.863 5.390 6.422 0.322 2 0 "[ . 1]" 1
112 1 12 G HO2' 1 13 C H6 2.500 . 3.200 3.961 3.344 4.564 1.364 2 6 "[-+**. * *1]" 1
113 1 13 C H1' 1 13 C H6 4.500 2.900 6.100 3.625 3.623 3.629 . 0 0 "[ . 1]" 1
114 1 13 C H1' 1 13 C HO2' 2.500 . 3.200 2.420 1.909 2.931 . 0 0 "[ . 1]" 1
115 1 13 C H6 1 13 C HO2' 3.500 2.300 4.700 5.101 4.965 5.311 0.611 10 2 "[ - . +]" 1
116 1 13 C HO2' 1 14 C H1' 4.500 2.900 6.100 4.692 3.765 5.565 . 0 0 "[ . 1]" 1
117 1 13 C HO2' 1 14 C H6 2.500 . 3.200 4.044 3.231 4.631 1.431 1 6 "[+ *-. ***1]" 1
118 1 13 C H6 1 14 C H5 4.500 2.900 6.100 4.285 4.168 4.397 . 0 0 "[ . 1]" 1
119 1 14 C H1' 1 14 C H6 3.500 2.300 4.700 3.622 3.620 3.625 . 0 0 "[ . 1]" 1
120 1 14 C H1' 1 14 C HO2' 2.500 . 3.200 2.531 2.106 2.894 . 0 0 "[ . 1]" 1
121 1 14 C H6 1 14 C HO2' 3.500 2.300 4.700 5.121 4.960 5.307 0.607 10 2 "[ -. +]" 1
122 1 14 C H1' 1 15 U H6 3.500 2.300 4.700 4.704 4.646 4.753 0.053 5 0 "[ . 1]" 1
123 1 14 C HO2' 1 15 U H1' 4.500 2.900 6.100 4.873 3.909 5.718 . 0 0 "[ . 1]" 1
124 1 15 U H1' 1 15 U H6 4.500 2.900 6.100 3.617 3.615 3.620 . 0 0 "[ . 1]" 1
125 1 15 U H1' 1 15 U HO2' 3.500 2.300 4.700 2.235 1.893 2.737 0.407 3 0 "[ . 1]" 1
126 1 15 U H6 1 15 U HO2' 4.500 . 6.100 5.039 4.961 5.168 . 0 0 "[ . 1]" 1
127 1 15 U HO2' 1 16 G H8 3.500 . 5.000 4.821 4.482 4.978 . 0 0 "[ . 1]" 1
128 1 16 G H1' 1 16 G H8 3.500 2.300 4.700 3.892 3.891 3.893 . 0 0 "[ . 1]" 1
129 1 16 G H1' 1 17 G H8 4.500 2.900 6.100 6.300 6.194 6.429 0.329 5 0 "[ . 1]" 1
130 1 17 G H1' 1 17 G H8 4.500 2.900 6.100 3.748 3.742 3.758 . 0 0 "[ . 1]" 1
131 1 18 G H1' 1 18 G H8 3.500 2.300 4.700 3.761 3.747 3.776 . 0 0 "[ . 1]" 1
132 1 18 G H1' 1 18 G HO2' 2.500 . 3.200 2.642 1.886 3.294 0.094 9 0 "[ . 1]" 1
133 1 18 G H8 1 18 G HO2' 2.500 . 3.200 5.299 5.137 5.497 2.297 9 10 [*******-+*] 1
134 1 18 G H1' 1 19 A H8 5.000 . 7.000 5.338 4.901 5.530 . 0 0 "[ . 1]" 1
135 1 19 A H1' 1 19 A H8 3.500 2.300 4.700 3.869 3.859 3.886 . 0 0 "[ . 1]" 1
136 1 19 A H1' 1 19 A HO2' 2.500 . 3.200 2.407 1.914 3.337 0.137 6 0 "[ . 1]" 1
137 1 19 A H1' 1 19 A H2 4.500 2.900 6.100 4.470 4.438 4.496 . 0 0 "[ . 1]" 1
138 1 20 G H1' 1 20 G H8 3.500 2.300 4.700 3.775 3.759 3.793 . 0 0 "[ . 1]" 1
139 1 20 G H1' 1 20 G HO2' 3.500 2.300 4.700 2.645 2.069 3.196 0.231 2 0 "[ . 1]" 1
140 1 20 G H1' 1 21 C H6 3.500 2.300 4.700 4.760 4.733 4.795 0.095 1 0 "[ . 1]" 1
141 1 20 G HO2' 1 21 C H6 2.500 . 3.200 4.338 3.596 4.904 1.704 3 8 "[ *+-* ****]" 1
142 1 21 C H1' 1 21 C H6 4.500 2.900 6.100 3.634 3.627 3.639 . 0 0 "[ . 1]" 1
143 1 21 C H1' 1 21 C HO2' 3.500 2.300 4.700 2.481 2.005 2.872 0.295 1 0 "[ . 1]" 1
144 1 21 C H1' 1 22 U H6 4.500 2.900 6.100 4.854 4.839 4.868 . 0 0 "[ . 1]" 1
145 1 21 C HO2' 1 22 U H1' 3.500 2.300 4.700 4.766 3.927 5.801 1.101 4 4 "[ * +. - *]" 1
146 1 21 C HO2' 1 22 U H6 2.500 . 3.200 4.210 3.533 4.826 1.626 4 8 "[***+.-* **]" 1
147 1 22 U H1' 1 22 U H6 4.500 2.900 6.100 3.627 3.623 3.630 . 0 0 "[ . 1]" 1
148 1 22 U H1' 1 22 U HO2' 3.500 2.300 4.700 2.601 1.971 3.163 0.329 6 0 "[ . 1]" 1
149 1 22 U HO2' 1 23 C H6 4.500 2.900 6.100 4.887 4.261 5.341 . 0 0 "[ . 1]" 1
150 1 23 C H1' 1 23 C H6 4.500 2.900 6.100 3.664 3.660 3.666 . 0 0 "[ . 1]" 1
151 1 23 C H1' 1 23 C HO2' 3.500 2.300 4.700 2.643 1.957 3.117 0.343 5 0 "[ . 1]" 1
152 1 23 C H5 1 23 C HO2' 3.500 2.300 4.700 6.905 6.629 7.095 2.395 4 10 [***+****-*] 1
153 1 23 C H6 1 23 C HO2' 4.500 2.900 6.100 4.996 4.900 5.051 . 0 0 "[ . 1]" 1
154 1 23 C H1' 1 23 C H3' 4.500 2.900 6.100 3.827 3.820 3.835 . 0 0 "[ . 1]" 1
155 1 23 C H3' 1 23 C H6 3.500 2.300 4.700 2.552 2.451 2.708 . 0 0 "[ . 1]" 1
156 1 23 C H1' 1 24 U H6 4.500 2.900 6.100 4.945 4.910 4.989 . 0 0 "[ . 1]" 1
157 1 23 C HO2' 1 24 U H1' 4.500 2.900 6.100 5.292 4.221 5.951 . 0 0 "[ . 1]" 1
158 1 23 C HO2' 1 24 U H5 3.500 2.300 4.700 6.141 5.810 6.396 1.696 7 10 [******+-**] 1
159 1 23 C HO2' 1 24 U H6 2.500 . 3.200 4.387 3.965 4.739 1.539 7 10 [******+-**] 1
160 1 23 C H3' 1 24 U H5 3.500 2.300 4.700 3.784 3.685 3.863 . 0 0 "[ . 1]" 1
161 1 23 C H3' 1 24 U H6 3.500 2.300 4.700 3.334 3.263 3.380 . 0 0 "[ . 1]" 1
162 1 23 C H6 1 24 U H5 4.500 2.900 6.100 3.694 3.491 3.854 . 0 0 "[ . 1]" 1
163 1 23 C H6 1 24 U H6 4.500 2.900 6.100 4.357 4.211 4.482 . 0 0 "[ . 1]" 1
164 1 24 U H1' 1 24 U H6 3.500 2.300 4.700 3.625 3.623 3.628 . 0 0 "[ . 1]" 1
165 1 24 U H1' 1 24 U HO2' 2.500 . 3.200 2.830 1.986 3.345 0.145 3 0 "[ . 1]" 1
166 1 24 U H6 1 24 U HO2' 4.500 2.900 6.100 5.151 4.862 5.330 . 0 0 "[ . 1]" 1
167 1 24 U H1' 1 25 C H6 4.500 2.900 6.100 4.815 4.801 4.837 . 0 0 "[ . 1]" 1
168 1 24 U HO2' 1 25 C H5 2.500 . 3.200 5.582 5.322 5.964 2.764 6 10 [*****+**-*] 1
169 1 24 U HO2' 1 25 C H6 2.500 . 3.200 3.929 3.460 4.640 1.440 6 6 "[ ** -+** 1]" 1
170 1 25 C H1' 1 25 C H6 3.500 2.300 4.700 3.621 3.619 3.625 . 0 0 "[ . 1]" 1
171 1 25 C H1' 1 25 C HO2' 2.500 . 3.200 2.671 1.934 3.325 0.125 2 0 "[ . 1]" 1
172 1 25 C H1' 1 26 U H6 4.500 2.900 6.100 4.766 4.751 4.792 . 0 0 "[ . 1]" 1
173 1 25 C HO2' 1 26 U H1' 4.500 2.900 6.100 5.250 4.243 6.074 . 0 0 "[ . 1]" 1
174 1 25 C HO2' 1 26 U H5 4.500 2.900 6.100 6.117 5.669 6.433 0.333 9 0 "[ . 1]" 1
175 1 25 C HO2' 1 26 U H6 2.500 . 3.200 4.407 3.718 4.929 1.729 8 10 [**-****+**] 1
176 1 26 U H1' 1 26 U H6 4.500 2.900 6.100 3.620 3.618 3.626 . 0 0 "[ . 1]" 1
177 1 26 U H1' 1 26 U HO2' 2.500 . 3.200 2.559 1.955 3.139 . 0 0 "[ . 1]" 1
178 1 26 U H1' 1 27 G H8 4.500 2.900 6.100 4.832 4.788 4.954 . 0 0 "[ . 1]" 1
179 1 26 U HO2' 1 27 G H1' 3.500 2.300 4.700 4.803 3.922 5.732 1.032 7 4 "[ - ** + 1]" 1
180 1 26 U HO2' 1 27 G H8 2.500 . 3.200 4.509 3.754 5.179 1.979 5 10 [****+***-*] 1
181 1 27 G H1' 1 27 G H8 4.500 2.900 6.100 3.782 3.749 3.793 . 0 0 "[ . 1]" 1
182 1 27 G H1' 1 27 G HO2' 2.500 . 3.200 2.499 1.892 3.200 . 0 0 "[ . 1]" 1
183 1 27 G H8 1 27 G HO2' 3.500 2.300 4.700 5.251 5.113 5.467 0.767 4 5 "[*- +.** 1]" 1
184 1 27 G H1' 1 27 G H3' 3.500 2.300 4.700 3.826 3.797 3.836 . 0 0 "[ . 1]" 1
185 1 27 G H1' 1 28 C H6 4.500 2.900 6.100 4.789 4.761 4.826 . 0 0 "[ . 1]" 1
186 1 27 G HO2' 1 28 C H1' 4.500 2.900 6.100 5.406 4.004 5.850 . 0 0 "[ . 1]" 1
187 1 27 G HO2' 1 28 C H6 2.500 . 3.200 4.576 3.679 4.872 1.672 10 9 "[*** *-***+]" 1
188 1 27 G H3' 1 28 C H5 4.500 2.900 6.100 4.241 4.158 4.346 . 0 0 "[ . 1]" 1
189 1 28 C H1' 1 28 C H6 3.500 2.300 4.700 3.629 3.627 3.632 . 0 0 "[ . 1]" 1
190 1 28 C H1' 1 28 C HO2' 2.500 . 3.200 2.498 1.935 2.988 . 0 0 "[ . 1]" 1
191 1 28 C H6 1 28 C HO2' 3.500 2.300 4.700 5.024 4.914 5.311 0.611 6 1 "[ .+ 1]" 1
192 1 28 C H1' 1 29 C H6 3.500 2.300 4.700 4.782 4.773 4.794 0.094 9 0 "[ . 1]" 1
193 1 28 C HO2' 1 29 C H1' 4.500 2.900 6.100 5.491 3.992 5.862 . 0 0 "[ . 1]" 1
194 1 28 C HO2' 1 29 C H6 2.500 . 3.200 4.650 3.646 4.872 1.672 10 9 "[***** **-+]" 1
195 1 29 C H1' 1 29 C H6 3.500 2.300 4.700 3.627 3.623 3.631 . 0 0 "[ . 1]" 1
196 1 29 C H1' 1 29 C HO2' 2.500 . 3.200 2.907 2.021 3.318 0.118 6 0 "[ . 1]" 1
197 1 29 C H6 1 29 C HO2' 3.500 2.300 4.700 5.226 4.971 5.380 0.680 6 7 "[* ***+-* 1]" 1
198 2 1 ARG HA 2 1 ARG HD3 4.000 . 5.500 4.287 3.295 4.863 . 0 0 "[ . 1]" 1
199 2 1 ARG HA 2 1 ARG HD2 4.000 . 5.500 4.099 2.277 5.484 . 0 0 "[ . 1]" 1
200 2 1 ARG HA 2 1 ARG QG 4.000 . 5.500 2.295 2.125 3.286 . 0 0 "[ . 1]" 1
201 2 1 ARG HA 2 1 ARG QH1 4.500 . 6.000 4.372 3.457 5.322 . 0 0 "[ . 1]" 1
202 2 1 ARG QB 2 1 ARG HD3 3.000 . 4.200 2.702 2.148 3.443 . 0 0 "[ . 1]" 1
203 2 1 ARG QB 2 1 ARG HD2 3.000 . 4.200 2.832 2.115 3.302 . 0 0 "[ . 1]" 1
204 2 1 ARG HD3 2 1 ARG QH1 4.500 . 6.000 2.693 1.970 3.360 0.030 2 0 "[ . 1]" 1
205 2 1 ARG HD3 2 1 ARG QH2 4.500 . 6.000 4.116 3.984 4.240 . 0 0 "[ . 1]" 1
206 2 1 ARG QG 2 1 ARG QH 2.500 . 3.200 2.329 1.827 3.463 0.263 3 0 "[ . 1]" 1
207 2 1 ARG HA 2 2 VAL H 3.000 . 4.400 2.818 2.543 2.926 . 0 0 "[ . 1]" 1
208 2 1 ARG HA 2 2 VAL QG 3.000 . 4.200 3.301 3.089 3.388 . 0 0 "[ . 1]" 1
209 2 1 ARG QB 2 2 VAL H 3.000 . 4.400 2.017 1.737 2.293 . 0 0 "[ . 1]" 1
210 2 1 ARG QG 2 2 VAL H 3.000 . 4.400 2.383 1.705 3.680 . 0 0 "[ . 1]" 1
211 2 1 ARG HD3 2 2 VAL H 4.500 . 6.000 4.018 3.145 5.655 . 0 0 "[ . 1]" 1
212 2 1 ARG HD2 2 2 VAL H 4.500 . 6.000 3.893 1.989 4.825 0.011 4 0 "[ . 1]" 1
213 2 1 ARG QH1 2 2 VAL H 4.500 . 6.000 4.148 2.227 5.429 . 0 0 "[ . 1]" 1
214 2 2 VAL HA 2 2 VAL HB 3.000 . 4.200 2.630 2.432 2.808 . 0 0 "[ . 1]" 1
215 2 2 VAL HA 2 3 ARG H 4.500 . 6.000 2.197 2.183 2.206 . 0 0 "[ . 1]" 1
216 2 3 ARG HA 2 3 ARG HD3 3.000 . 4.200 4.391 4.282 4.670 0.470 4 0 "[ . 1]" 1
217 2 3 ARG HA 2 3 ARG HD2 3.000 . 4.200 4.422 4.246 4.671 0.471 8 0 "[ . 1]" 1
218 2 3 ARG QB 2 3 ARG HD3 3.000 . 4.200 2.477 2.125 3.198 . 0 0 "[ . 1]" 1
219 2 3 ARG QB 2 3 ARG HD2 3.000 . 4.200 2.690 2.198 3.345 . 0 0 "[ . 1]" 1
220 2 3 ARG HA 2 4 CYS H 3.000 . 4.400 2.192 2.184 2.210 . 0 0 "[ . 1]" 1
221 2 3 ARG QG 2 4 CYS H 5.000 . 7.000 2.882 2.430 3.113 . 0 0 "[ . 1]" 1
222 2 3 ARG QD 2 4 CYS H 5.000 . 7.000 4.630 4.136 5.102 . 0 0 "[ . 1]" 1
223 2 4 CYS HA 2 4 CYS HB3 3.000 . 4.200 2.652 2.388 2.755 . 0 0 "[ . 1]" 1
224 2 4 CYS HA 2 4 CYS HB2 3.000 . 4.200 2.967 2.919 3.019 . 0 0 "[ . 1]" 1
225 2 4 CYS HA 2 5 ARG H 4.500 . 6.000 2.168 2.118 2.205 . 0 0 "[ . 1]" 1
226 2 4 CYS QB 2 5 ARG QG 5.000 . 7.000 5.011 4.136 5.549 . 0 0 "[ . 1]" 1
227 2 4 CYS H 2 5 ARG QG 5.000 . 7.000 5.691 4.195 6.839 . 0 0 "[ . 1]" 1
228 2 5 ARG HA 2 5 ARG HD3 5.000 . 7.000 4.414 4.193 4.605 . 0 0 "[ . 1]" 1
229 2 5 ARG HA 2 5 ARG HD2 5.000 . 7.000 4.702 4.485 4.853 . 0 0 "[ . 1]" 1
230 2 5 ARG HB3 2 5 ARG HD3 4.000 . 5.500 3.137 2.477 3.628 . 0 0 "[ . 1]" 1
231 2 5 ARG HB3 2 5 ARG HD2 3.000 . 4.200 3.146 2.831 3.514 . 0 0 "[ . 1]" 1
232 2 5 ARG HB2 2 5 ARG HD2 5.000 . 7.000 3.216 2.317 3.764 . 0 0 "[ . 1]" 1
233 2 5 ARG HB2 2 5 ARG HD3 2.500 . 3.200 3.121 2.823 3.371 0.171 6 0 "[ . 1]" 1
234 2 5 ARG HA 2 6 GLN H 4.500 . 6.000 2.202 2.179 2.234 . 0 0 "[ . 1]" 1
235 2 6 GLN HA 2 6 GLN HE22 5.000 . 7.000 4.141 3.371 4.932 . 0 0 "[ . 1]" 1
236 2 6 GLN HA 2 6 GLN QE 4.500 . 6.000 3.341 2.285 3.898 . 0 0 "[ . 1]" 1
237 2 6 GLN H 2 6 GLN QB 4.500 . 6.000 2.347 2.117 2.853 . 0 0 "[ . 1]" 1
238 2 6 GLN QB 2 6 GLN HE21 4.500 . 6.000 3.302 2.127 4.090 . 0 0 "[ . 1]" 1
239 2 6 GLN H 2 6 GLN HG3 4.500 . 6.000 3.934 3.175 4.633 . 0 0 "[ . 1]" 1
240 2 6 GLN HE21 2 6 GLN HG3 4.500 . 6.000 2.903 2.248 3.606 . 0 0 "[ . 1]" 1
241 2 6 GLN H 2 6 GLN HG2 4.500 . 6.000 3.426 1.920 4.661 0.080 5 0 "[ . 1]" 1
242 2 6 GLN HE21 2 6 GLN HG2 4.500 . 6.000 2.900 2.279 3.619 . 0 0 "[ . 1]" 1
243 2 6 GLN HA 2 7 ARG H 4.500 . 6.000 2.150 2.137 2.182 . 0 0 "[ . 1]" 1
244 2 6 GLN QB 2 7 ARG H 4.500 . 6.000 3.607 3.305 3.961 . 0 0 "[ . 1]" 1
245 2 6 GLN HG3 2 7 ARG H 4.500 . 6.000 4.779 3.050 5.705 . 0 0 "[ . 1]" 1
246 2 6 GLN HG2 2 7 ARG H 4.500 . 6.000 4.565 3.051 5.389 . 0 0 "[ . 1]" 1
247 2 6 GLN HE21 2 7 ARG H 4.500 . 6.000 4.879 2.806 5.938 . 0 0 "[ . 1]" 1
248 2 6 GLN HE22 2 7 ARG H 4.500 . 6.000 5.268 3.649 6.169 0.169 4 0 "[ . 1]" 1
249 2 7 ARG HA 2 7 ARG HD3 4.000 . 5.500 4.561 4.382 4.773 . 0 0 "[ . 1]" 1
250 2 7 ARG HA 2 7 ARG HD2 4.000 . 5.500 4.466 4.024 4.743 . 0 0 "[ . 1]" 1
251 2 7 ARG QB 2 7 ARG QD 3.000 . 4.200 2.306 2.137 2.450 . 0 0 "[ . 1]" 1
252 2 7 ARG HA 2 7 ARG QG 3.000 . 4.200 2.241 2.009 2.383 . 0 0 "[ . 1]" 1
253 2 7 ARG H 2 8 LYS H 4.500 . 6.000 4.165 3.879 4.389 . 0 0 "[ . 1]" 1
254 2 7 ARG HA 2 8 LYS H 4.500 . 6.000 2.178 2.145 2.302 . 0 0 "[ . 1]" 1
255 2 8 LYS HA 2 9 GLY H 4.500 . 6.000 2.637 2.490 2.765 . 0 0 "[ . 1]" 1
256 2 8 LYS QD 2 9 GLY H 4.500 . 6.000 4.977 4.115 5.820 . 0 0 "[ . 1]" 1
257 2 9 GLY H 2 10 ARG H 4.500 . 6.000 3.009 2.916 3.071 . 0 0 "[ . 1]" 1
258 2 9 GLY QA 2 10 ARG QH1 4.500 . 6.000 5.621 4.000 6.479 0.479 7 0 "[ . 1]" 1
259 2 9 GLY HA3 2 10 ARG H 3.000 . 4.400 3.073 3.047 3.137 . 0 0 "[ . 1]" 1
260 2 9 GLY HA2 2 10 ARG H 3.000 . 4.400 3.459 3.421 3.472 . 0 0 "[ . 1]" 1
261 2 10 ARG HA 2 10 ARG HE 5.000 . 7.000 2.375 1.854 4.451 0.146 1 0 "[ . 1]" 1
262 2 10 ARG HA 2 10 ARG QH1 3.000 . 4.400 3.685 1.702 4.338 . 0 0 "[ . 1]" 1
263 2 10 ARG HA 2 10 ARG QH2 3.000 . 4.400 3.757 3.183 4.483 0.083 9 0 "[ . 1]" 1
264 2 10 ARG HA 2 10 ARG HB3 3.000 . 4.200 2.873 2.489 3.025 . 0 0 "[ . 1]" 1
265 2 10 ARG HA 2 10 ARG HB2 3.000 . 4.200 2.690 2.513 3.026 . 0 0 "[ . 1]" 1
266 2 10 ARG HA 2 10 ARG QD 5.000 . 7.000 2.350 2.220 3.028 . 0 0 "[ . 1]" 1
267 2 10 ARG HA 2 10 ARG QG 4.000 . 5.500 2.708 2.425 2.827 . 0 0 "[ . 1]" 1
268 2 10 ARG HB3 2 10 ARG QD 3.000 . 4.200 3.187 2.187 3.624 . 0 0 "[ . 1]" 1
269 2 10 ARG HB2 2 10 ARG QD 3.000 . 4.200 3.114 2.737 3.351 . 0 0 "[ . 1]" 1
270 2 10 ARG QG 2 10 ARG QH 2.500 . 3.200 3.057 2.330 3.498 0.298 3 0 "[ . 1]" 1
271 2 10 ARG QD 2 10 ARG QH2 2.500 . 3.200 3.596 3.577 3.633 0.433 2 0 "[ . 1]" 1
272 2 10 ARG HA 2 11 ARG H 3.000 . 4.200 2.266 2.201 2.367 . 0 0 "[ . 1]" 1
273 2 10 ARG QG 2 11 ARG H 3.000 . 4.200 2.791 1.809 4.403 0.203 4 0 "[ . 1]" 1
274 2 11 ARG HB3 2 11 ARG QD 3.000 . 4.200 2.267 2.227 2.433 . 0 0 "[ . 1]" 1
275 2 11 ARG HB2 2 11 ARG QD 3.000 . 4.200 2.919 2.495 3.210 . 0 0 "[ . 1]" 1
276 2 11 ARG HA 2 11 ARG QD 3.000 . 4.200 4.308 4.223 4.360 0.160 3 0 "[ . 1]" 1
277 2 11 ARG H 2 11 ARG QG 3.000 . 4.200 1.839 1.762 1.993 0.038 3 0 "[ . 1]" 1
278 2 11 ARG HA 2 12 ILE H 4.500 . 6.000 2.155 2.151 2.160 . 0 0 "[ . 1]" 1
279 2 12 ILE HA 2 12 ILE HB 2.500 . 3.200 2.504 2.445 2.567 . 0 0 "[ . 1]" 1
280 2 12 ILE H 2 12 ILE HA 3.000 . 4.400 2.921 2.914 2.927 . 0 0 "[ . 1]" 1
281 2 12 ILE H 2 12 ILE HB 3.000 . 4.400 3.625 3.586 3.655 . 0 0 "[ . 1]" 1
282 2 12 ILE H 2 12 ILE MD 3.000 . 4.400 3.605 3.536 3.694 . 0 0 "[ . 1]" 1
283 2 12 ILE H 2 12 ILE MG 3.000 . 4.400 2.475 2.275 2.702 . 0 0 "[ . 1]" 1
284 2 12 ILE HA 2 13 CYS H 5.000 . 7.000 2.212 2.188 2.229 . 0 0 "[ . 1]" 1
285 2 12 ILE HB 2 13 CYS H 5.000 . 7.000 3.134 3.049 3.268 . 0 0 "[ . 1]" 1
286 2 13 CYS HA 2 13 CYS HB3 3.000 . 4.200 2.802 2.475 2.861 . 0 0 "[ . 1]" 1
287 2 13 CYS HA 2 13 CYS HB2 3.000 . 4.200 2.875 2.836 3.024 . 0 0 "[ . 1]" 1
288 2 13 CYS HA 2 14 ILE H 3.000 . 4.200 2.246 2.173 2.286 . 0 0 "[ . 1]" 1
289 2 13 CYS HB3 2 14 ILE H 3.000 . 4.200 3.174 2.992 3.836 . 0 0 "[ . 1]" 1
290 2 13 CYS HB2 2 14 ILE H 4.000 . 5.500 4.226 4.149 4.445 . 0 0 "[ . 1]" 1
291 2 14 ILE H 2 14 ILE HA 2.500 . 3.200 2.951 2.896 2.959 . 0 0 "[ . 1]" 1
292 2 14 ILE H 2 14 ILE HB 4.000 . 5.500 2.836 2.340 3.346 . 0 0 "[ . 1]" 1
293 2 14 ILE HA 2 14 ILE HB 3.000 . 4.200 2.827 2.352 3.029 . 0 0 "[ . 1]" 1
294 2 14 ILE HA 2 14 ILE HG13 3.000 . 4.200 2.911 2.311 3.699 . 0 0 "[ . 1]" 1
295 2 14 ILE HA 2 14 ILE HG12 3.000 . 4.200 3.061 2.513 3.599 . 0 0 "[ . 1]" 1
296 2 14 ILE H 2 14 ILE QG 3.000 . 4.200 3.136 2.487 3.917 . 0 0 "[ . 1]" 1
297 2 14 ILE H 2 14 ILE MG 3.000 . 4.200 3.283 1.987 3.908 . 0 0 "[ . 1]" 1
298 2 14 ILE HA 2 14 ILE MG 3.000 . 4.200 2.588 2.285 3.181 . 0 0 "[ . 1]" 1
299 2 14 ILE HA 2 14 ILE MD 4.000 . 5.500 3.331 1.999 3.824 0.001 4 0 "[ . 1]" 1
300 2 14 ILE HA 2 15 ARG H 3.000 . 4.400 2.155 2.149 2.171 . 0 0 "[ . 1]" 1
301 2 14 ILE HB 2 15 ARG H 3.000 . 4.400 4.247 4.049 4.399 . 0 0 "[ . 1]" 1
302 2 14 ILE HG13 2 15 ARG H 4.500 . 5.700 4.335 2.376 5.577 . 0 0 "[ . 1]" 1
303 2 14 ILE MG 2 15 ARG H 3.000 . 4.400 3.233 2.590 4.190 . 0 0 "[ . 1]" 1
304 2 14 ILE HG12 2 15 ARG H 4.500 . 6.000 4.461 3.556 5.289 . 0 0 "[ . 1]" 1
305 2 14 ILE MG 2 15 ARG HE 4.500 . 6.000 5.806 3.789 6.353 0.353 2 0 "[ . 1]" 1
306 2 15 ARG HA 2 15 ARG HE 4.500 . 6.000 4.186 1.925 5.871 0.075 3 0 "[ . 1]" 1
307 2 15 ARG H 2 15 ARG QB 3.000 . 4.200 2.298 2.052 2.582 . 0 0 "[ . 1]" 1
308 2 15 ARG H 2 15 ARG HD3 4.500 . 6.000 4.555 2.309 5.846 . 0 0 "[ . 1]" 1
309 2 15 ARG H 2 15 ARG HD2 4.500 . 6.000 4.484 1.827 5.912 0.173 8 0 "[ . 1]" 1
310 2 15 ARG QD 2 15 ARG QH1 4.500 . 6.000 1.869 1.756 1.930 0.244 6 0 "[ . 1]" 1
311 2 15 ARG QD 2 15 ARG QH2 4.500 . 6.000 3.590 3.572 3.638 . 0 0 "[ . 1]" 1
312 2 15 ARG HD3 2 15 ARG HE 3.000 . 4.400 2.678 2.319 2.908 . 0 0 "[ . 1]" 1
313 2 15 ARG HD2 2 15 ARG HE 3.000 . 4.400 2.824 2.693 2.916 . 0 0 "[ . 1]" 1
314 2 15 ARG H 2 15 ARG HE 5.000 . 7.000 4.853 3.926 6.168 . 0 0 "[ . 1]" 1
315 2 15 ARG HA 2 16 ILE H 3.000 . 4.400 2.146 2.139 2.165 . 0 0 "[ . 1]" 1
316 2 15 ARG HE 2 16 ILE HA 4.500 . 6.000 5.353 3.625 6.095 0.095 6 0 "[ . 1]" 1
317 2 15 ARG H 2 16 ILE MD 4.000 . 5.500 5.449 5.207 5.796 0.296 2 0 "[ . 1]" 1
318 2 16 ILE HA 2 16 ILE QG 3.000 . 4.200 2.750 2.318 3.355 . 0 0 "[ . 1]" 1
319 2 16 ILE HA 2 16 ILE MG 3.000 . 4.200 2.334 2.112 2.487 . 0 0 "[ . 1]" 1
320 2 16 ILE H 2 16 ILE QG 4.000 . 5.500 2.903 2.023 3.378 . 0 0 "[ . 1]" 1
321 2 2 VAL MG1 2 13 CYS HB3 3.000 . 4.200 2.916 2.216 3.639 . 0 0 "[ . 1]" 1
322 2 2 VAL MG1 2 13 CYS HB2 3.000 . 4.200 4.172 3.559 4.432 0.232 3 0 "[ . 1]" 1
323 2 2 VAL MG1 2 15 ARG H 4.000 2.500 5.500 3.103 2.779 3.516 . 0 0 "[ . 1]" 1
324 2 2 VAL MG2 2 15 ARG H 4.000 2.500 5.500 5.671 5.458 5.875 0.375 3 0 "[ . 1]" 1
325 2 2 VAL MG2 2 13 CYS HB3 3.000 . 4.200 3.294 2.131 3.693 . 0 0 "[ . 1]" 1
326 2 2 VAL MG2 2 13 CYS HB2 4.000 2.500 5.500 4.032 3.267 4.540 . 0 0 "[ . 1]" 1
327 2 2 VAL QG 2 4 CYS QB 5.300 2.300 7.300 4.691 4.491 5.077 . 0 0 "[ . 1]" 1
328 2 2 VAL H 2 15 ARG HA 5.000 . 7.000 4.689 4.474 4.857 . 0 0 "[ . 1]" 1
329 2 2 VAL HA 2 16 ILE H 5.000 . 7.000 2.499 2.170 2.900 . 0 0 "[ . 1]" 1
330 2 4 CYS HA 2 13 CYS HB3 4.000 . 5.500 4.205 3.970 4.393 . 0 0 "[ . 1]" 1
331 2 4 CYS HA 2 13 CYS HB2 4.000 . 5.500 3.930 3.659 4.617 . 0 0 "[ . 1]" 1
332 2 4 CYS HB3 2 13 CYS HA 4.000 . 5.500 4.219 3.510 4.336 . 0 0 "[ . 1]" 1
333 2 4 CYS HB2 2 13 CYS HA 4.000 . 5.500 4.395 4.140 4.569 . 0 0 "[ . 1]" 1
334 2 4 CYS HA 2 14 ILE H 4.500 . 6.000 3.510 3.207 3.602 . 0 0 "[ . 1]" 1
335 2 5 ARG H 2 13 CYS HA 4.500 . 6.000 3.400 3.333 3.567 . 0 0 "[ . 1]" 1
336 2 6 GLN HA 2 11 ARG HA 3.000 . 4.200 2.117 2.032 2.194 . 0 0 "[ . 1]" 1
337 2 7 ARG QB 2 10 ARG QD 5.000 . 7.000 6.774 6.292 7.110 0.110 1 0 "[ . 1]" 1
338 2 7 ARG H 2 11 ARG HA 3.000 . 4.200 2.427 2.205 2.609 . 0 0 "[ . 1]" 1
339 2 8 LYS HA 2 10 ARG H 3.000 . 4.400 3.958 3.911 4.096 . 0 0 "[ . 1]" 1
340 1 18 G H1' 2 2 VAL HB 4.000 . 5.500 5.704 5.616 5.802 0.302 7 0 "[ . 1]" 1
341 1 18 G H8 2 2 VAL QG 5.000 . 7.000 7.015 6.776 7.126 0.126 1 0 "[ . 1]" 1
342 1 19 A H8 2 2 VAL MG1 5.000 . 7.000 6.413 5.848 6.975 . 0 0 "[ . 1]" 1
343 1 19 A H1' 2 2 VAL MG1 5.000 . 7.000 3.856 3.600 4.206 . 0 0 "[ . 1]" 1
344 1 19 A H2 2 2 VAL MG1 4.000 . 5.500 5.670 5.041 5.903 0.403 9 0 "[ . 1]" 1
345 1 19 A H8 2 2 VAL MG2 5.000 . 7.000 7.256 7.075 7.378 0.378 7 0 "[ . 1]" 1
346 1 19 A H1' 2 2 VAL MG2 5.000 . 7.000 5.109 4.806 5.525 . 0 0 "[ . 1]" 1
347 1 19 A H2 2 2 VAL MG2 4.000 . 5.500 5.552 5.309 5.675 0.175 10 0 "[ . 1]" 1
348 1 5 G H8 2 3 ARG HD3 5.000 . 7.000 6.831 6.137 7.139 0.139 4 0 "[ . 1]" 1
349 1 5 G H8 2 3 ARG HD2 5.000 . 7.000 6.927 6.220 7.121 0.121 6 0 "[ . 1]" 1
350 1 6 A H8 2 5 ARG HD3 3.000 . 4.200 3.001 2.308 3.683 . 0 0 "[ . 1]" 1
351 1 6 A H8 2 5 ARG HD2 3.000 . 4.200 3.680 2.987 4.357 0.157 4 0 "[ . 1]" 1
352 1 7 U H5 2 5 ARG QB 3.000 . 4.200 4.171 3.869 4.408 0.208 6 0 "[ . 1]" 1
353 1 7 U H5 2 5 ARG HD3 3.000 . 4.200 4.240 3.973 4.380 0.180 4 0 "[ . 1]" 1
354 1 7 U H5 2 5 ARG HD2 3.000 . 4.200 3.196 2.466 4.326 0.126 2 0 "[ . 1]" 1
355 1 7 U H1' 2 7 ARG HA 4.000 . 5.500 4.960 4.679 5.323 . 0 0 "[ . 1]" 1
356 1 7 U H2' 2 7 ARG HA 2.500 . 3.200 2.860 2.421 3.430 0.230 8 0 "[ . 1]" 1
357 1 7 U H6 2 7 ARG HB3 4.000 . 5.500 5.555 5.284 5.713 0.213 7 0 "[ . 1]" 1
358 1 7 U H6 2 7 ARG HB2 4.000 . 5.500 4.117 3.701 4.780 . 0 0 "[ . 1]" 1
359 1 7 U H1' 2 7 ARG QG 3.000 . 4.200 4.011 3.535 4.356 0.156 7 0 "[ . 1]" 1
360 1 7 U H6 2 7 ARG QG 4.000 . 5.500 3.112 2.858 3.562 . 0 0 "[ . 1]" 1
361 1 7 U H5 2 7 ARG QD 3.000 . 4.200 3.760 2.961 4.252 0.052 9 0 "[ . 1]" 1
362 1 7 U H5 2 7 ARG QG 3.000 . 4.200 3.169 2.462 3.754 . 0 0 "[ . 1]" 1
363 1 7 U H3 2 7 ARG QD 4.000 . 5.500 3.082 2.500 3.683 . 0 0 "[ . 1]" 1
364 1 7 U H3 2 7 ARG QG 4.000 . 5.500 3.685 3.361 3.988 . 0 0 "[ . 1]" 1
365 1 7 U H2' 2 8 LYS H 5.000 . 7.000 4.126 3.368 4.922 . 0 0 "[ . 1]" 1
366 1 7 U H5 2 8 LYS QD 5.000 . 7.000 6.676 6.204 7.008 0.008 2 0 "[ . 1]" 1
367 1 8 C H1' 2 8 LYS HA 5.000 . 7.000 3.655 2.942 4.321 . 0 0 "[ . 1]" 1
368 1 8 C H6 2 8 LYS HA 4.000 . 5.500 3.288 2.278 4.799 . 0 0 "[ . 1]" 1
369 1 8 C H1' 2 8 LYS QG 5.000 . 7.000 4.643 2.989 6.004 . 0 0 "[ . 1]" 1
370 1 8 C H1' 2 8 LYS HD3 5.000 . 7.000 5.827 4.470 7.089 0.089 10 0 "[ . 1]" 1
371 1 8 C H1' 2 8 LYS HD2 5.000 . 7.000 5.575 3.976 7.188 0.188 10 0 "[ . 1]" 1
372 1 12 G H1' 2 8 LYS QD 5.000 . 7.000 6.897 6.418 7.477 0.477 8 0 "[ . 1]" 1
373 1 8 C H1' 2 8 LYS QE 5.000 . 7.000 5.855 4.655 6.872 . 0 0 "[ . 1]" 1
374 1 10 G H8 2 8 LYS QE 5.000 . 7.000 7.096 6.959 7.304 0.304 8 0 "[ . 1]" 1
375 1 11 A H2 2 8 LYS QE 4.000 . 5.500 5.735 5.518 5.827 0.327 1 0 "[ . 1]" 1
376 1 18 G H8 2 10 ARG HD3 5.000 . 5.500 4.713 4.109 5.143 . 0 0 "[ . 1]" 1
377 1 18 G H8 2 10 ARG HD2 5.000 . 5.500 4.654 3.948 5.600 0.100 4 0 "[ . 1]" 1
378 1 18 G H8 2 10 ARG HB3 5.000 . 7.000 6.598 5.447 7.134 0.134 6 0 "[ . 1]" 1
379 1 18 G H8 2 10 ARG HB2 5.000 . 7.000 7.171 7.085 7.265 0.265 9 0 "[ . 1]" 1
380 1 18 G H8 2 11 ARG HG2 4.000 . 5.500 4.418 3.779 5.031 . 0 0 "[ . 1]" 1
381 1 18 G H8 2 11 ARG HG3 4.000 . 5.500 4.640 3.799 5.420 . 0 0 "[ . 1]" 1
382 1 18 G H8 2 11 ARG QD 5.000 . 7.000 4.720 3.609 6.070 . 0 0 "[ . 1]" 1
383 1 7 U H5 2 12 ILE MD 4.000 2.500 5.500 3.239 2.388 4.070 0.112 4 0 "[ . 1]" 1
384 1 7 U H5 2 12 ILE MG 4.000 2.500 5.500 5.394 5.023 5.593 0.093 8 0 "[ . 1]" 1
385 1 7 U H6 2 12 ILE MD 4.000 . 5.500 4.859 3.710 5.635 0.135 1 0 "[ . 1]" 1
386 1 7 U H6 2 12 ILE QG 4.000 . 5.500 5.351 5.018 5.675 0.175 7 0 "[ . 1]" 1
387 1 18 G H2' 2 12 ILE HA 5.000 . 7.000 5.371 4.981 5.519 . 0 0 "[ . 1]" 1
388 1 18 G H1' 2 12 ILE HB 5.000 . 7.000 6.253 5.435 6.517 . 0 0 "[ . 1]" 1
389 1 18 G H2' 2 12 ILE MG 5.000 . 7.000 6.261 5.719 6.498 . 0 0 "[ . 1]" 1
390 1 18 G H8 2 12 ILE MG 5.000 . 7.000 7.008 6.578 7.109 0.109 3 0 "[ . 1]" 1
391 1 7 U H6 2 12 ILE MG 5.000 . 7.000 6.371 6.026 6.579 . 0 0 "[ . 1]" 1
392 1 21 C H5 2 12 ILE MD 5.000 . 7.000 5.181 4.624 5.934 . 0 0 "[ . 1]" 1
393 1 19 A H1' 2 13 CYS HB3 4.000 . 5.500 5.112 4.917 5.845 0.345 7 0 "[ . 1]" 1
394 1 19 A H8 2 13 CYS HB3 5.000 . 7.000 6.222 5.945 7.063 0.063 7 0 "[ . 1]" 1
395 1 19 A H1' 2 13 CYS HB2 4.000 . 5.500 5.405 4.872 5.539 0.039 5 0 "[ . 1]" 1
396 1 19 A H8 2 13 CYS HB2 5.000 . 7.000 5.541 5.361 5.707 . 0 0 "[ . 1]" 1
397 1 21 C H5 2 14 ILE MG 5.000 . 7.000 6.909 6.084 7.456 0.456 2 0 "[ . 1]" 1
398 1 21 C H5 2 14 ILE MD 5.000 . 7.000 5.873 4.581 6.770 . 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 53
_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 C 0.000 0.000 . 0 "[ . 1]"
1 4 A 0.000 0.000 . 0 "[ . 1]"
1 5 G 0.000 0.000 . 0 "[ . 1]"
1 6 A 0.000 0.000 . 0 "[ . 1]"
1 7 U 0.000 0.000 . 0 "[ . 1]"
1 10 G 0.000 0.000 . 0 "[ . 1]"
1 11 A 0.000 0.000 . 0 "[ . 1]"
1 12 G 0.000 0.000 . 0 "[ . 1]"
1 13 C 0.000 0.000 . 0 "[ . 1]"
1 20 G 0.000 0.000 . 0 "[ . 1]"
1 21 C 0.000 0.000 . 0 "[ . 1]"
1 22 U 0.000 0.000 . 0 "[ . 1]"
1 23 C 0.000 0.000 . 0 "[ . 1]"
1 24 U 0.000 0.000 . 0 "[ . 1]"
1 25 C 0.000 0.000 . 0 "[ . 1]"
1 26 U 0.000 0.000 . 0 "[ . 1]"
1 27 G 0.000 0.000 . 0 "[ . 1]"
1 28 C 0.000 0.000 . 0 "[ . 1]"
1 29 C 0.000 0.000 . 0 "[ . 1]"
2 1 ARG 0.000 0.000 . 0 "[ . 1]"
2 3 ARG 0.000 0.000 . 0 "[ . 1]"
2 5 ARG 0.000 0.000 . 0 "[ . 1]"
2 7 ARG 0.000 0.000 . 0 "[ . 1]"
2 10 ARG 0.000 0.000 . 0 "[ . 1]"
2 12 ILE 0.000 0.000 . 0 "[ . 1]"
2 14 ILE 0.000 0.000 . 0 "[ . 1]"
2 16 ILE 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 29 C N3 2.950 2.750 3.150 2.941 2.928 2.946 . 0 0 "[ . 1]" 2
2 1 1 G O6 1 29 C N4 2.910 2.710 3.110 2.906 2.887 2.918 . 0 0 "[ . 1]" 2
3 1 1 G N2 1 29 C O2 2.860 2.660 3.060 2.865 2.854 2.873 . 0 0 "[ . 1]" 2
4 1 1 G H1 1 29 C N3 1.950 . 2.150 1.938 1.922 1.944 . 0 0 "[ . 1]" 2
5 1 2 G N1 1 28 C N3 2.950 2.750 3.150 2.941 2.926 2.960 . 0 0 "[ . 1]" 2
6 1 2 G O6 1 28 C N4 2.910 2.710 3.110 2.945 2.915 3.001 . 0 0 "[ . 1]" 2
7 1 2 G N2 1 28 C O2 2.860 2.660 3.060 2.855 2.827 2.872 . 0 0 "[ . 1]" 2
8 1 2 G H1 1 28 C N3 1.950 . 2.150 1.933 1.917 1.951 . 0 0 "[ . 1]" 2
9 1 3 C N3 1 27 G N1 2.950 2.750 3.150 2.898 2.868 2.922 . 0 0 "[ . 1]" 2
10 1 3 C N4 1 27 G O6 2.910 2.710 3.110 2.876 2.775 2.935 . 0 0 "[ . 1]" 2
11 1 3 C O2 1 27 G N2 2.860 2.660 3.060 2.894 2.847 2.981 . 0 0 "[ . 1]" 2
12 1 3 C N3 1 27 G H1 1.950 . 2.150 1.904 1.864 1.948 . 0 0 "[ . 1]" 2
13 1 4 A N1 1 26 U N3 2.730 2.530 2.930 2.767 2.719 2.782 . 0 0 "[ . 1]" 2
14 1 4 A N6 1 26 U O4 2.920 2.720 3.120 2.881 2.863 2.911 . 0 0 "[ . 1]" 2
15 1 4 A N1 1 26 U H3 1.730 . 1.930 1.768 1.721 1.783 . 0 0 "[ . 1]" 2
16 1 5 G N1 1 25 C N3 2.950 2.750 3.150 2.890 2.875 2.900 . 0 0 "[ . 1]" 2
17 1 5 G O6 1 25 C N4 2.910 2.710 3.110 2.916 2.904 2.933 . 0 0 "[ . 1]" 2
18 1 5 G N2 1 25 C O2 2.860 2.660 3.060 2.867 2.846 2.886 . 0 0 "[ . 1]" 2
19 1 5 G H1 1 25 C N3 1.950 . 2.150 1.903 1.889 1.916 . 0 0 "[ . 1]" 2
20 1 6 A N1 1 24 U N3 2.730 2.530 2.930 2.814 2.804 2.833 . 0 0 "[ . 1]" 2
21 1 6 A N6 1 24 U O4 2.920 2.720 3.120 2.750 2.726 2.788 . 0 0 "[ . 1]" 2
22 1 6 A N1 1 24 U H3 1.730 . 1.930 1.820 1.805 1.832 . 0 0 "[ . 1]" 2
23 1 10 G N1 1 23 C N3 2.950 2.750 3.150 2.858 2.839 2.873 . 0 0 "[ . 1]" 2
24 1 10 G O6 1 23 C N4 2.910 2.710 3.110 2.942 2.936 2.949 . 0 0 "[ . 1]" 2
25 1 10 G N2 1 23 C O2 2.860 2.660 3.060 2.776 2.764 2.791 . 0 0 "[ . 1]" 2
26 1 10 G H1 1 23 C N3 1.950 . 2.150 1.903 1.879 1.924 . 0 0 "[ . 1]" 2
27 1 11 A N1 1 22 U N3 2.730 2.530 2.930 2.777 2.762 2.790 . 0 0 "[ . 1]" 2
28 1 11 A N6 1 22 U O4 2.920 2.720 3.120 2.887 2.879 2.894 . 0 0 "[ . 1]" 2
29 1 11 A N1 1 22 U H3 1.730 . 1.930 1.770 1.756 1.781 . 0 0 "[ . 1]" 2
30 1 12 G N1 1 21 C N3 2.950 2.750 3.150 2.931 2.919 2.942 . 0 0 "[ . 1]" 2
31 1 12 G O6 1 21 C N4 2.910 2.710 3.110 2.909 2.896 2.920 . 0 0 "[ . 1]" 2
32 1 12 G N2 1 21 C O2 2.860 2.660 3.060 2.854 2.848 2.859 . 0 0 "[ . 1]" 2
33 1 12 G H1 1 21 C N3 1.950 . 2.150 1.935 1.927 1.945 . 0 0 "[ . 1]" 2
34 1 13 C N3 1 20 G N1 2.950 2.750 3.150 2.937 2.924 2.954 . 0 0 "[ . 1]" 2
35 1 13 C N4 1 20 G O6 2.910 2.710 3.110 2.898 2.855 2.913 . 0 0 "[ . 1]" 2
36 1 13 C O2 1 20 G N2 2.860 2.660 3.060 2.861 2.836 2.954 . 0 0 "[ . 1]" 2
37 1 13 C N3 1 20 G H1 1.950 . 2.150 1.954 1.931 1.979 . 0 0 "[ . 1]" 2
38 1 7 U H3 1 11 A N7 1.700 . 1.900 1.766 1.753 1.781 . 0 0 "[ . 1]" 2
39 1 7 U N3 1 11 A N7 2.700 2.500 2.900 2.590 2.576 2.634 . 0 0 "[ . 1]" 2
40 1 7 U O4 1 11 A N6 2.920 2.720 3.120 2.899 2.865 2.914 . 0 0 "[ . 1]" 2
41 2 1 ARG N 2 16 ILE O 2.730 2.630 2.830 2.714 2.699 2.719 . 0 0 "[ . 1]" 2
42 2 1 ARG O 2 16 ILE N 2.530 2.430 2.630 2.539 2.502 2.603 . 0 0 "[ . 1]" 2
43 2 1 ARG O 2 16 ILE H 1.730 . 1.830 1.722 1.673 1.748 . 0 0 "[ . 1]" 2
44 2 3 ARG N 2 14 ILE O 2.730 2.630 2.830 2.713 2.674 2.726 . 0 0 "[ . 1]" 2
45 2 3 ARG H 2 14 ILE O 1.730 . 1.830 1.747 1.741 1.764 . 0 0 "[ . 1]" 2
46 2 3 ARG O 2 14 ILE N 2.530 2.430 2.630 2.556 2.533 2.591 . 0 0 "[ . 1]" 2
47 2 3 ARG O 2 14 ILE H 1.730 . 1.830 1.720 1.703 1.736 . 0 0 "[ . 1]" 2
48 2 5 ARG N 2 12 ILE O 2.530 2.430 2.630 2.542 2.528 2.571 . 0 0 "[ . 1]" 2
49 2 5 ARG H 2 12 ILE O 1.730 . 1.830 1.725 1.706 1.732 . 0 0 "[ . 1]" 2
50 2 5 ARG O 2 12 ILE N 2.530 2.430 2.630 2.555 2.546 2.577 . 0 0 "[ . 1]" 2
51 2 5 ARG O 2 12 ILE H 1.730 . 1.830 1.725 1.700 1.737 . 0 0 "[ . 1]" 2
52 2 7 ARG N 2 10 ARG O 2.530 2.430 2.630 2.561 2.539 2.582 . 0 0 "[ . 1]" 2
53 2 7 ARG H 2 10 ARG O 1.730 . 1.830 1.705 1.692 1.723 . 0 0 "[ . 1]" 2
stop_
save_
Contact the webmaster for help, if required. Sunday, May 19, 2024 10:18:34 PM GMT (wattos1)