NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
476137 |
1buf   |
cing | 2-parsed | STAR | dihedral angle | 60 |
data_1buf_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1buf
_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_1buf 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1buf
_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 1buf "Master copy" parsed_1buf
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1buf
_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 1buf.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1buf 1
1 1buf.mr . . AMBER 2 distance NOE simple 170 parsed_1buf 1
1 1buf.mr . . AMBER 3 "dihedral angle" "Not applicable" "Not applicable" 60 parsed_1buf 1
1 1buf.mr . . AMBER 4 distance "hydrogen bond" simple 0 parsed_1buf 1
1 1buf.mr . . AMBER 5 angle "Not applicable" "Not applicable" 0 parsed_1buf 1
1 1buf.mr . . AMBER 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1buf 1
1 1buf.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1buf 1
stop_
save_
save_AMBER_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1buf
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -18.4 -13.4 . 1buf_ambr001 1 DC5 C4' 1buf_ambr001 1 DC5 O4' 1buf_ambr001 1 DC5 C1' 1buf_ambr001 1 DC5 C2' parsed_1buf 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 27.8 32.8 . 1buf_ambr001 1 DC5 O4' 1buf_ambr001 1 DC5 C1' 1buf_ambr001 1 DC5 C2' 1buf_ambr001 1 DC5 C3' parsed_1buf 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -34.5 -29.5 . 1buf_ambr001 1 DC5 C1' 1buf_ambr001 1 DC5 C2' 1buf_ambr001 1 DC5 C3' 1buf_ambr001 1 DC5 C4' parsed_1buf 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.7 26.7 . 1buf_ambr001 1 DC5 C2' 1buf_ambr001 1 DC5 C3' 1buf_ambr001 1 DC5 C4' 1buf_ambr001 1 DC5 O4' parsed_1buf 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -7.9 -2.9 . 1buf_ambr001 1 DC5 C3' 1buf_ambr001 1 DC5 C4' 1buf_ambr001 1 DC5 O4' 1buf_ambr001 1 DC5 C1' parsed_1buf 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -18.4 -13.4 . 1buf_ambr002 1 DC5 C4' 1buf_ambr002 1 DC5 O4' 1buf_ambr002 1 DC5 C1' 1buf_ambr002 1 DC5 C2' parsed_1buf 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 27.8 32.8 . 1buf_ambr002 1 DC5 O4' 1buf_ambr002 1 DC5 C1' 1buf_ambr002 1 DC5 C2' 1buf_ambr002 1 DC5 C3' parsed_1buf 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -34.5 -29.5 . 1buf_ambr002 1 DC5 C1' 1buf_ambr002 1 DC5 C2' 1buf_ambr002 1 DC5 C3' 1buf_ambr002 1 DC5 C4' parsed_1buf 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.7 26.7 . 1buf_ambr002 1 DC5 C2' 1buf_ambr002 1 DC5 C3' 1buf_ambr002 1 DC5 C4' 1buf_ambr002 1 DC5 O4' parsed_1buf 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -7.9 -2.9 . 1buf_ambr002 1 DC5 C3' 1buf_ambr002 1 DC5 C4' 1buf_ambr002 1 DC5 O4' 1buf_ambr002 1 DC5 C1' parsed_1buf 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -18.6 -13.6 . 1buf_ambr001 2 DA C4' 1buf_ambr001 2 DA O4' 1buf_ambr001 2 DA C1' 1buf_ambr001 2 DA C2' parsed_1buf 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 28.9 33.9 . 1buf_ambr001 2 DA O4' 1buf_ambr001 2 DA C1' 1buf_ambr001 2 DA C2' 1buf_ambr001 2 DA C3' parsed_1buf 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.7 -30.7 . 1buf_ambr001 2 DA C1' 1buf_ambr001 2 DA C2' 1buf_ambr001 2 DA C3' 1buf_ambr001 2 DA C4' parsed_1buf 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 23.1 28.1 . 1buf_ambr001 2 DA C2' 1buf_ambr001 2 DA C3' 1buf_ambr001 2 DA C4' 1buf_ambr001 2 DA O4' parsed_1buf 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -8.6 -3.6 . 1buf_ambr001 2 DA C3' 1buf_ambr001 2 DA C4' 1buf_ambr001 2 DA O4' 1buf_ambr001 2 DA C1' parsed_1buf 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -18.6 -13.6 . 1buf_ambr002 2 DA C4' 1buf_ambr002 2 DA O4' 1buf_ambr002 2 DA C1' 1buf_ambr002 2 DA C2' parsed_1buf 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 28.9 33.9 . 1buf_ambr002 2 DA O4' 1buf_ambr002 2 DA C1' 1buf_ambr002 2 DA C2' 1buf_ambr002 2 DA C3' parsed_1buf 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.7 -30.7 . 1buf_ambr002 2 DA C1' 1buf_ambr002 2 DA C2' 1buf_ambr002 2 DA C3' 1buf_ambr002 2 DA C4' parsed_1buf 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 23.1 28.1 . 1buf_ambr002 2 DA C2' 1buf_ambr002 2 DA C3' 1buf_ambr002 2 DA C4' 1buf_ambr002 2 DA O4' parsed_1buf 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -8.6 -3.6 . 1buf_ambr002 2 DA C3' 1buf_ambr002 2 DA C4' 1buf_ambr002 2 DA O4' 1buf_ambr002 2 DA C1' parsed_1buf 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -23.9 -18.9 . 1buf_ambr001 3 DA C4' 1buf_ambr001 3 DA O4' 1buf_ambr001 3 DA C1' 1buf_ambr001 3 DA C2' parsed_1buf 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 32.7 37.7 . 1buf_ambr001 3 DA O4' 1buf_ambr001 3 DA C1' 1buf_ambr001 3 DA C2' 1buf_ambr001 3 DA C3' parsed_1buf 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.8 -31.8 . 1buf_ambr001 3 DA C1' 1buf_ambr001 3 DA C2' 1buf_ambr001 3 DA C3' 1buf_ambr001 3 DA C4' parsed_1buf 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.1 26.1 . 1buf_ambr001 3 DA C2' 1buf_ambr001 3 DA C3' 1buf_ambr001 3 DA C4' 1buf_ambr001 3 DA O4' parsed_1buf 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -4.1 0.9 . 1buf_ambr001 3 DA C3' 1buf_ambr001 3 DA C4' 1buf_ambr001 3 DA O4' 1buf_ambr001 3 DA C1' parsed_1buf 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -23.9 -18.9 . 1buf_ambr002 3 DA C4' 1buf_ambr002 3 DA O4' 1buf_ambr002 3 DA C1' 1buf_ambr002 3 DA C2' parsed_1buf 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 32.7 37.7 . 1buf_ambr002 3 DA O4' 1buf_ambr002 3 DA C1' 1buf_ambr002 3 DA C2' 1buf_ambr002 3 DA C3' parsed_1buf 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.8 -31.8 . 1buf_ambr002 3 DA C1' 1buf_ambr002 3 DA C2' 1buf_ambr002 3 DA C3' 1buf_ambr002 3 DA C4' parsed_1buf 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.1 26.1 . 1buf_ambr002 3 DA C2' 1buf_ambr002 3 DA C3' 1buf_ambr002 3 DA C4' 1buf_ambr002 3 DA O4' parsed_1buf 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -4.1 0.9 . 1buf_ambr002 3 DA C3' 1buf_ambr002 3 DA C4' 1buf_ambr002 3 DA O4' 1buf_ambr002 3 DA C1' parsed_1buf 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -23.1 -18.1 . 1buf_ambr001 4 DT C4' 1buf_ambr001 4 DT O4' 1buf_ambr001 4 DT C1' 1buf_ambr001 4 DT C2' parsed_1buf 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 31.1 36.1 . 1buf_ambr001 4 DT O4' 1buf_ambr001 4 DT C1' 1buf_ambr001 4 DT C2' 1buf_ambr001 4 DT C3' parsed_1buf 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.1 -30.1 . 1buf_ambr001 4 DT C1' 1buf_ambr001 4 DT C2' 1buf_ambr001 4 DT C3' 1buf_ambr001 4 DT C4' parsed_1buf 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19.7 24.7 . 1buf_ambr001 4 DT C2' 1buf_ambr001 4 DT C3' 1buf_ambr001 4 DT C4' 1buf_ambr001 4 DT O4' parsed_1buf 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -3.7 1.3 . 1buf_ambr001 4 DT C3' 1buf_ambr001 4 DT C4' 1buf_ambr001 4 DT O4' 1buf_ambr001 4 DT C1' parsed_1buf 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -23.1 -18.1 . 1buf_ambr002 4 DT C4' 1buf_ambr002 4 DT O4' 1buf_ambr002 4 DT C1' 1buf_ambr002 4 DT C2' parsed_1buf 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 31.1 36.1 . 1buf_ambr002 4 DT O4' 1buf_ambr002 4 DT C1' 1buf_ambr002 4 DT C2' 1buf_ambr002 4 DT C3' parsed_1buf 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.1 -30.1 . 1buf_ambr002 4 DT C1' 1buf_ambr002 4 DT C2' 1buf_ambr002 4 DT C3' 1buf_ambr002 4 DT C4' parsed_1buf 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19.7 24.7 . 1buf_ambr002 4 DT C2' 1buf_ambr002 4 DT C3' 1buf_ambr002 4 DT C4' 1buf_ambr002 4 DT O4' parsed_1buf 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -3.7 1.3 . 1buf_ambr002 4 DT C3' 1buf_ambr002 4 DT C4' 1buf_ambr002 4 DT O4' 1buf_ambr002 4 DT C1' parsed_1buf 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -23.1 -18.1 . 1buf_ambr001 5 DT C4' 1buf_ambr001 5 DT O4' 1buf_ambr001 5 DT C1' 1buf_ambr001 5 DT C2' parsed_1buf 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 31.1 36.1 . 1buf_ambr001 5 DT O4' 1buf_ambr001 5 DT C1' 1buf_ambr001 5 DT C2' 1buf_ambr001 5 DT C3' parsed_1buf 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.1 -30.1 . 1buf_ambr001 5 DT C1' 1buf_ambr001 5 DT C2' 1buf_ambr001 5 DT C3' 1buf_ambr001 5 DT C4' parsed_1buf 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19.7 24.7 . 1buf_ambr001 5 DT C2' 1buf_ambr001 5 DT C3' 1buf_ambr001 5 DT C4' 1buf_ambr001 5 DT O4' parsed_1buf 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -3.7 1.3 . 1buf_ambr001 5 DT C3' 1buf_ambr001 5 DT C4' 1buf_ambr001 5 DT O4' 1buf_ambr001 5 DT C1' parsed_1buf 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -23.1 -18.1 . 1buf_ambr002 5 DT C4' 1buf_ambr002 5 DT O4' 1buf_ambr002 5 DT C1' 1buf_ambr002 5 DT C2' parsed_1buf 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 31.1 36.1 . 1buf_ambr002 5 DT O4' 1buf_ambr002 5 DT C1' 1buf_ambr002 5 DT C2' 1buf_ambr002 5 DT C3' parsed_1buf 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.1 -30.1 . 1buf_ambr002 5 DT C1' 1buf_ambr002 5 DT C2' 1buf_ambr002 5 DT C3' 1buf_ambr002 5 DT C4' parsed_1buf 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19.7 24.7 . 1buf_ambr002 5 DT C2' 1buf_ambr002 5 DT C3' 1buf_ambr002 5 DT C4' 1buf_ambr002 5 DT O4' parsed_1buf 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -3.7 1.3 . 1buf_ambr002 5 DT C3' 1buf_ambr002 5 DT C4' 1buf_ambr002 5 DT O4' 1buf_ambr002 5 DT C1' parsed_1buf 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -13.4 -8.4 . 1buf_ambr001 6 DG3 C4' 1buf_ambr001 6 DG3 O4' 1buf_ambr001 6 DG3 C1' 1buf_ambr001 6 DG3 C2' parsed_1buf 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 30.0 . 1buf_ambr001 6 DG3 O4' 1buf_ambr001 6 DG3 C1' 1buf_ambr001 6 DG3 C2' 1buf_ambr001 6 DG3 C3' parsed_1buf 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -34.6 -29.6 . 1buf_ambr001 6 DG3 C1' 1buf_ambr001 6 DG3 C2' 1buf_ambr001 6 DG3 C3' 1buf_ambr001 6 DG3 C4' parsed_1buf 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 30.0 . 1buf_ambr001 6 DG3 C2' 1buf_ambr001 6 DG3 C3' 1buf_ambr001 6 DG3 C4' 1buf_ambr001 6 DG3 O4' parsed_1buf 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -13.1 -8.1 . 1buf_ambr001 6 DG3 C3' 1buf_ambr001 6 DG3 C4' 1buf_ambr001 6 DG3 O4' 1buf_ambr001 6 DG3 C1' parsed_1buf 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -13.4 -8.4 . 1buf_ambr002 6 DG3 C4' 1buf_ambr002 6 DG3 O4' 1buf_ambr002 6 DG3 C1' 1buf_ambr002 6 DG3 C2' parsed_1buf 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 30.0 . 1buf_ambr002 6 DG3 O4' 1buf_ambr002 6 DG3 C1' 1buf_ambr002 6 DG3 C2' 1buf_ambr002 6 DG3 C3' parsed_1buf 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -34.6 -29.6 . 1buf_ambr002 6 DG3 C1' 1buf_ambr002 6 DG3 C2' 1buf_ambr002 6 DG3 C3' 1buf_ambr002 6 DG3 C4' parsed_1buf 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 30.0 . 1buf_ambr002 6 DG3 C2' 1buf_ambr002 6 DG3 C3' 1buf_ambr002 6 DG3 C4' 1buf_ambr002 6 DG3 O4' parsed_1buf 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -13.1 -8.1 . 1buf_ambr002 6 DG3 C3' 1buf_ambr002 6 DG3 C4' 1buf_ambr002 6 DG3 O4' 1buf_ambr002 6 DG3 C1' parsed_1buf 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
;
sugar torsion from J-value (modified Karplus Equation) error +-0.5Hz
JrMM derived sugar torsion, range +-2.5 degrees, ext. 10 degrees
sugar torsion C1,C7 , rk2, rk3 = 5 x kdist (10) = 50
;
1 1 3 55 parsed_1buf 1
2 "sugar torsion A2,A8" 16 1 16 22 parsed_1buf 1
3 "sugar torsion A3,A9" 29 1 29 22 parsed_1buf 1
4 "sugar torsion T4,T10" 42 1 42 23 parsed_1buf 1
5 "sugar torsion T5,T11" 55 1 55 23 parsed_1buf 1
6 "sugar torsion G6,G12" 68 1 68 23 parsed_1buf 1
stop_
save_
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