NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
526875 |
2l8i   |
17409 | cing | 2-parsed | STAR | dihedral angle | 136 |
data_2l8i_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2l8i
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project" NMR . parsed_2l8i 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2l8i
_Entry.Title "Original constraint list(s)"
_Entry.Version_type original
_Entry.Submission_date .
_Entry.Accession_date .
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination .
_Entry.NMR_STAR_version 3.1
_Entry.Original_NMR_STAR_version .
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2l8i "Master copy" parsed_2l8i
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2l8i
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 2l8i.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2l8i 1
1 2l8i.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 136 parsed_2l8i 1
1 2l8i.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 0 parsed_2l8i 1
1 2l8i.mr . . XPLOR/CNS 4 distance NOE simple 0 parsed_2l8i 1
1 2l8i.mr . . XPLOR/CNS 5 planarity "Not applicable" "Not applicable" 0 parsed_2l8i 1
1 2l8i.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2l8i 1
1 2l8i.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2l8i 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2l8i
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.0 -16.0 . . 1 . O3' . 2 . P . 2 . O5' . 2 . C5' parsed_2l8i 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.0 -16.0 . . 2 . O3' . 3 . P . 3 . O5' . 3 . C5' parsed_2l8i 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.0 -16.0 . . 3 . O3' . 4 . P . 4 . O5' . 4 . C5' parsed_2l8i 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.0 -16.0 . . 4 . O3' . 5 . P . 5 . O5' . 5 . C5' parsed_2l8i 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.0 -16.0 . . 5 . O3' . 6 . P . 6 . O5' . 6 . C5' parsed_2l8i 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.0 -16.0 . . 6 . O3' . 7 . P . 7 . O5' . 7 . C5' parsed_2l8i 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.0 -16.0 . . 7 . O3' . 8 . P . 8 . O5' . 8 . C5' parsed_2l8i 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.0 -16.0 . . 8 . O3' . 9 . P . 9 . O5' . 9 . C5' parsed_2l8i 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.0 -16.0 . . 9 . O3' . 10 . P . 10 . O5' . 10 . C5' parsed_2l8i 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.0 -16.0 . . 10 . O3' . 11 . P . 11 . O5' . 11 . C5' parsed_2l8i 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.0 -16.0 . . 11 . O3' . 12 . P . 12 . O5' . 12 . C5' parsed_2l8i 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.0 -16.0 . . 12 . O3' . 13 . P . 13 . O5' . 13 . C5' parsed_2l8i 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.0 -16.0 . . 14 . O3' . 15 . P . 15 . O5' . 15 . C5' parsed_2l8i 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.0 -16.0 . . 15 . O3' . 16 . P . 16 . O5' . 16 . C5' parsed_2l8i 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.0 -16.0 . . 16 . O3' . 17 . P . 17 . O5' . 17 . C5' parsed_2l8i 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.0 -16.0 . . 17 . O3' . 18 . P . 18 . O5' . 18 . C5' parsed_2l8i 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.0 4.0 . . 18 . O3' . 19 . P . 19 . O5' . 19 . C5' parsed_2l8i 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.0 4.0 . . 20 . O3' . 21 . P . 21 . O5' . 21 . C5' parsed_2l8i 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.0 -16.0 . . 21 . O3' . 22 . P . 22 . O5' . 22 . C5' parsed_2l8i 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.0 -16.0 . . 22 . O3' . 23 . P . 23 . O5' . 23 . C5' parsed_2l8i 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.0 -16.0 . . 23 . O3' . 24 . P . 24 . O5' . 24 . C5' parsed_2l8i 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.0 -16.0 . . 24 . O3' . 25 . P . 25 . O5' . 25 . C5' parsed_2l8i 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.0 -16.0 . . 25 . O3' . 26 . P . 26 . O5' . 26 . C5' parsed_2l8i 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -177.0 -117.0 . . 2 . P . 2 . O5' . 2 . C5' . 2 . C4' parsed_2l8i 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -177.0 -117.0 . . 3 . P . 3 . O5' . 3 . C5' . 3 . C4' parsed_2l8i 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -177.0 -117.0 . . 4 . P . 4 . O5' . 4 . C5' . 4 . C4' parsed_2l8i 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -177.0 -117.0 . . 5 . P . 5 . O5' . 5 . C5' . 5 . C4' parsed_2l8i 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -177.0 -117.0 . . 6 . P . 6 . O5' . 6 . C5' . 6 . C4' parsed_2l8i 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -177.0 -117.0 . . 7 . P . 7 . O5' . 7 . C5' . 7 . C4' parsed_2l8i 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -177.0 -117.0 . . 8 . P . 8 . O5' . 8 . C5' . 8 . C4' parsed_2l8i 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -177.0 -117.0 . . 9 . P . 9 . O5' . 9 . C5' . 9 . C4' parsed_2l8i 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -177.0 -117.0 . . 10 . P . 10 . O5' . 10 . C5' . 10 . C4' parsed_2l8i 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -177.0 -117.0 . . 11 . P . 11 . O5' . 11 . C5' . 11 . C4' parsed_2l8i 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -177.0 -117.0 . . 12 . P . 12 . O5' . 12 . C5' . 12 . C4' parsed_2l8i 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -177.0 -117.0 . . 13 . P . 13 . O5' . 13 . C5' . 13 . C4' parsed_2l8i 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -177.0 -117.0 . . 15 . P . 15 . O5' . 15 . C5' . 15 . C4' parsed_2l8i 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -177.0 -117.0 . . 16 . P . 16 . O5' . 16 . C5' . 16 . C4' parsed_2l8i 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -177.0 -117.0 . . 17 . P . 17 . O5' . 17 . C5' . 17 . C4' parsed_2l8i 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -177.0 -117.0 . . 18 . P . 18 . O5' . 18 . C5' . 18 . C4' parsed_2l8i 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -197.0 -97.0 . . 19 . P . 19 . O5' . 19 . C5' . 19 . C4' parsed_2l8i 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -197.0 -97.0 . . 21 . P . 21 . O5' . 21 . C5' . 21 . C4' parsed_2l8i 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -177.0 -117.0 . . 22 . P . 22 . O5' . 22 . C5' . 22 . C4' parsed_2l8i 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -177.0 -117.0 . . 23 . P . 23 . O5' . 23 . C5' . 23 . C4' parsed_2l8i 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -177.0 -117.0 . . 24 . P . 24 . O5' . 24 . C5' . 24 . C4' parsed_2l8i 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -177.0 -117.0 . . 25 . P . 25 . O5' . 25 . C5' . 25 . C4' parsed_2l8i 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -177.0 -117.0 . . 26 . P . 26 . O5' . 26 . C5' . 26 . C4' parsed_2l8i 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6.0 66.0 . . 1 . O5' . 1 . C5' . 1 . C4' . 1 . C3' parsed_2l8i 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6.0 66.0 . . 2 . O5' . 2 . C5' . 2 . C4' . 2 . C3' parsed_2l8i 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6.0 66.0 . . 3 . O5' . 3 . C5' . 3 . C4' . 3 . C3' parsed_2l8i 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6.0 66.0 . . 4 . O5' . 4 . C5' . 4 . C4' . 4 . C3' parsed_2l8i 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6.0 66.0 . . 5 . O5' . 5 . C5' . 5 . C4' . 5 . C3' parsed_2l8i 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6.0 66.0 . . 6 . O5' . 6 . C5' . 6 . C4' . 6 . C3' parsed_2l8i 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6.0 66.0 . . 7 . O5' . 7 . C5' . 7 . C4' . 7 . C3' parsed_2l8i 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6.0 66.0 . . 8 . O5' . 8 . C5' . 8 . C4' . 8 . C3' parsed_2l8i 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6.0 66.0 . . 9 . O5' . 9 . C5' . 9 . C4' . 9 . C3' parsed_2l8i 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6.0 66.0 . . 10 . O5' . 10 . C5' . 10 . C4' . 10 . C3' parsed_2l8i 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6.0 66.0 . . 11 . O5' . 11 . C5' . 11 . C4' . 11 . C3' parsed_2l8i 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6.0 66.0 . . 12 . O5' . 12 . C5' . 12 . C4' . 12 . C3' parsed_2l8i 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6.0 66.0 . . 13 . O5' . 13 . C5' . 13 . C4' . 13 . C3' parsed_2l8i 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6.0 66.0 . . 14 . O5' . 14 . C5' . 14 . C4' . 14 . C3' parsed_2l8i 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6.0 66.0 . . 15 . O5' . 15 . C5' . 15 . C4' . 15 . C3' parsed_2l8i 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6.0 66.0 . . 16 . O5' . 16 . C5' . 16 . C4' . 16 . C3' parsed_2l8i 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6.0 66.0 . . 17 . O5' . 17 . C5' . 17 . C4' . 17 . C3' parsed_2l8i 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6.0 66.0 . . 18 . O5' . 18 . C5' . 18 . C4' . 18 . C3' parsed_2l8i 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -14.0 86.0 . . 19 . O5' . 19 . C5' . 19 . C4' . 19 . C3' parsed_2l8i 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -14.0 86.0 . . 21 . O5' . 21 . C5' . 21 . C4' . 21 . C3' parsed_2l8i 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6.0 66.0 . . 22 . O5' . 22 . C5' . 22 . C4' . 22 . C3' parsed_2l8i 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6.0 66.0 . . 23 . O5' . 23 . C5' . 23 . C4' . 23 . C3' parsed_2l8i 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6.0 66.0 . . 24 . O5' . 24 . C5' . 24 . C4' . 24 . C3' parsed_2l8i 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6.0 66.0 . . 25 . O5' . 25 . C5' . 25 . C4' . 25 . C3' parsed_2l8i 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6.0 66.0 . . 26 . O5' . 26 . C5' . 26 . C4' . 26 . C3' parsed_2l8i 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.0 187.0 . . 1 . C5' . 1 . C4' . 1 . C3' . 1 . O3' parsed_2l8i 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.0 187.0 . . 2 . C5' . 2 . C4' . 2 . C3' . 2 . O3' parsed_2l8i 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.0 187.0 . . 3 . C5' . 3 . C4' . 3 . C3' . 3 . O3' parsed_2l8i 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.0 187.0 . . 4 . C5' . 4 . C4' . 4 . C3' . 4 . O3' parsed_2l8i 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.0 187.0 . . 5 . C5' . 5 . C4' . 5 . C3' . 5 . O3' parsed_2l8i 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.0 187.0 . . 6 . C5' . 6 . C4' . 6 . C3' . 6 . O3' parsed_2l8i 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.0 187.0 . . 7 . C5' . 7 . C4' . 7 . C3' . 7 . O3' parsed_2l8i 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.0 187.0 . . 8 . C5' . 8 . C4' . 8 . C3' . 8 . O3' parsed_2l8i 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.0 187.0 . . 9 . C5' . 9 . C4' . 9 . C3' . 9 . O3' parsed_2l8i 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.0 187.0 . . 10 . C5' . 10 . C4' . 10 . C3' . 10 . O3' parsed_2l8i 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.0 187.0 . . 11 . C5' . 11 . C4' . 11 . C3' . 11 . O3' parsed_2l8i 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.0 187.0 . . 12 . C5' . 12 . C4' . 12 . C3' . 12 . O3' parsed_2l8i 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.0 187.0 . . 13 . C5' . 13 . C4' . 13 . C3' . 13 . O3' parsed_2l8i 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.0 187.0 . . 14 . C5' . 14 . C4' . 14 . C3' . 14 . O3' parsed_2l8i 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.0 187.0 . . 15 . C5' . 15 . C4' . 15 . C3' . 15 . O3' parsed_2l8i 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.0 187.0 . . 16 . C5' . 16 . C4' . 16 . C3' . 16 . O3' parsed_2l8i 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.0 187.0 . . 17 . C5' . 17 . C4' . 17 . C3' . 17 . O3' parsed_2l8i 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.0 187.0 . . 18 . C5' . 18 . C4' . 18 . C3' . 18 . O3' parsed_2l8i 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.0 207.0 . . 21 . C5' . 21 . C4' . 21 . C3' . 21 . O3' parsed_2l8i 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.0 187.0 . . 22 . C5' . 22 . C4' . 22 . C3' . 22 . O3' parsed_2l8i 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.0 187.0 . . 23 . C5' . 23 . C4' . 23 . C3' . 23 . O3' parsed_2l8i 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.0 187.0 . . 24 . C5' . 24 . C4' . 24 . C3' . 24 . O3' parsed_2l8i 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.0 187.0 . . 25 . C5' . 25 . C4' . 25 . C3' . 25 . O3' parsed_2l8i 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.0 187.0 . . 26 . C5' . 26 . C4' . 26 . C3' . 26 . O3' parsed_2l8i 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 185.0 . . 2 . C4' . 2 . C3' . 2 . O3' . 3 . P parsed_2l8i 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 185.0 . . 3 . C4' . 3 . C3' . 3 . O3' . 4 . P parsed_2l8i 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 185.0 . . 4 . C4' . 4 . C3' . 4 . O3' . 5 . P parsed_2l8i 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 185.0 . . 5 . C4' . 5 . C3' . 5 . O3' . 6 . P parsed_2l8i 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 185.0 . . 6 . C4' . 6 . C3' . 6 . O3' . 7 . P parsed_2l8i 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 185.0 . . 7 . C4' . 7 . C3' . 7 . O3' . 8 . P parsed_2l8i 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 185.0 . . 8 . C4' . 8 . C3' . 8 . O3' . 9 . P parsed_2l8i 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 185.0 . . 9 . C4' . 9 . C3' . 9 . O3' . 10 . P parsed_2l8i 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 185.0 . . 10 . C4' . 10 . C3' . 10 . O3' . 11 . P parsed_2l8i 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 185.0 . . 11 . C4' . 11 . C3' . 11 . O3' . 12 . P parsed_2l8i 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 185.0 . . 12 . C4' . 12 . C3' . 12 . O3' . 13 . P parsed_2l8i 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 185.0 . . 15 . C4' . 15 . C3' . 15 . O3' . 16 . P parsed_2l8i 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 185.0 . . 16 . C4' . 16 . C3' . 16 . O3' . 17 . P parsed_2l8i 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 185.0 . . 17 . C4' . 17 . C3' . 17 . O3' . 18 . P parsed_2l8i 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 185.0 . . 18 . C4' . 18 . C3' . 18 . O3' . 19 . P parsed_2l8i 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 185.0 . . 21 . C4' . 21 . C3' . 21 . O3' . 22 . P parsed_2l8i 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 185.0 . . 22 . C4' . 22 . C3' . 22 . O3' . 23 . P parsed_2l8i 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 185.0 . . 23 . C4' . 23 . C3' . 23 . O3' . 24 . P parsed_2l8i 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 185.0 . . 24 . C4' . 24 . C3' . 24 . O3' . 25 . P parsed_2l8i 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 185.0 . . 25 . C4' . 25 . C3' . 25 . O3' . 26 . P parsed_2l8i 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -66.0 . . 2 . C3' . 2 . O3' . 3 . P . 3 . O5' parsed_2l8i 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -66.0 . . 3 . C3' . 3 . O3' . 4 . P . 4 . O5' parsed_2l8i 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -66.0 . . 4 . C3' . 4 . O3' . 5 . P . 5 . O5' parsed_2l8i 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -66.0 . . 5 . C3' . 5 . O3' . 6 . P . 6 . O5' parsed_2l8i 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -66.0 . . 6 . C3' . 6 . O3' . 7 . P . 7 . O5' parsed_2l8i 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -66.0 . . 7 . C3' . 7 . O3' . 8 . P . 8 . O5' parsed_2l8i 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -66.0 . . 8 . C3' . 8 . O3' . 9 . P . 9 . O5' parsed_2l8i 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -66.0 . . 9 . C3' . 9 . O3' . 10 . P . 10 . O5' parsed_2l8i 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -66.0 . . 10 . C3' . 10 . O3' . 11 . P . 11 . O5' parsed_2l8i 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -66.0 . . 11 . C3' . 11 . O3' . 12 . P . 12 . O5' parsed_2l8i 1
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -66.0 . . 12 . C3' . 12 . O3' . 13 . P . 13 . O5' parsed_2l8i 1
127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -66.0 . . 15 . C3' . 15 . O3' . 16 . P . 16 . O5' parsed_2l8i 1
128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -66.0 . . 16 . C3' . 16 . O3' . 17 . P . 17 . O5' parsed_2l8i 1
129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -66.0 . . 17 . C3' . 17 . O3' . 18 . P . 18 . O5' parsed_2l8i 1
130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.0 -46.0 . . 18 . C3' . 18 . O3' . 19 . P . 19 . O5' parsed_2l8i 1
131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.0 -46.0 . . 20 . C3' . 20 . O3' . 21 . P . 21 . O5' parsed_2l8i 1
132 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -66.0 . . 21 . C3' . 21 . O3' . 22 . P . 22 . O5' parsed_2l8i 1
133 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -66.0 . . 22 . C3' . 22 . O3' . 23 . P . 23 . O5' parsed_2l8i 1
134 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -66.0 . . 23 . C3' . 23 . O3' . 24 . P . 24 . O5' parsed_2l8i 1
135 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -66.0 . . 24 . C3' . 24 . O3' . 25 . P . 25 . O5' parsed_2l8i 1
136 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -66.0 . . 25 . C3' . 25 . O3' . 26 . P . 26 . O5' parsed_2l8i 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1
;
Ideal dihedral values for B-DNA
Values taken from Roberts: NMR of Macromolecules
Alpha dihedral
;
1 1 5 16 parsed_2l8i 1
2
;
assign ( resid 19 and name O3' )
( resid 20 and name P )
( resid 20 and name O5' )
( resid 20 and name C5' ) 1.0 -46.0 30.0 2
;
92 1 92 1 parsed_2l8i 1
3 "Beta dihedral" 128 1 128 15 parsed_2l8i 1
4
;
assign ( resid 20 and name P )
( resid 20 and name O5' )
( resid 20 and name C5' )
( resid 20 and name C4' ) 1.0 -147.0 30.0 2
;
215 1 215 1 parsed_2l8i 1
5 "Gamma dihedral" 251 1 251 16 parsed_2l8i 1
6
;
assign ( resid 20 and name O5' )
( resid 20 and name C5' )
( resid 20 and name C4' )
( resid 20 and name C3' ) 1.0 36.0 30.0 2
;
348 1 348 1 parsed_2l8i 1
7 "Delta dihedral" 384 1 384 16 parsed_2l8i 1
8
;
assign ( resid 19 and name C5' )
( resid 19 and name C4' )
( resid 19 and name C3' )
( resid 19 and name O3' ) 1.0 157.0 30.0 2
assign ( resid 20 and name C5' )
( resid 20 and name C4' )
( resid 20 and name C3' )
( resid 20 and name O3' ) 1.0 157.0 30.0 2
;
476 1 476 1 parsed_2l8i 1
9 "Epsilon dihedral" 517 1 517 18 parsed_2l8i 1
10
;
assign ( resid 19 and name C4' )
( resid 19 and name C3' )
( resid 19 and name O3' )
( resid 20 and name P ) 1.0 155.0 30.0 2
assign ( resid 20 and name C4' )
( resid 20 and name C3' )
( resid 20 and name O3' )
( resid 21 and name P ) 1.0 155.0 30.0 2
;
594 1 594 1 parsed_2l8i 1
11 "Zeta dihedral" 630 1 630 15 parsed_2l8i 1
12
;
assign ( resid 19 and name C3' )
( resid 19 and name O3' )
( resid 20 and name P )
( resid 20 and name O5' ) 1.0 -96.0 30.0 2
;
707 1 707 1 parsed_2l8i 1
stop_
save_
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