Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
28870 | 1a60 RC | 4120 | cing | 2-parsed | STAR | dihedral angle | 126 |
data_1a60_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1a60
_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_1a60 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1a60
_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 1a60 "Master copy" parsed_1a60
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1a60
_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 1a60.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1a60 1
1 1a60.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1a60 1
1 1a60.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 35 parsed_1a60 1
1 1a60.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1a60 1
1 1a60.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 23 parsed_1a60 1
1 1a60.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1a60 1
1 1a60.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 42 parsed_1a60 1
1 1a60.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1a60 1
1 1a60.mr . . XPLOR/CNS 9 "dihedral angle" "Not applicable" "Not applicable" 32 parsed_1a60 1
1 1a60.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_1a60 1
1 1a60.mr . . XPLOR/CNS 11 "dihedral angle" "Not applicable" "Not applicable" 41 parsed_1a60 1
1 1a60.mr . . n/a 12 comment "Not applicable" "Not applicable" 0 parsed_1a60 1
1 1a60.mr . . XPLOR/CNS 13 distance NOE simple 424 parsed_1a60 1
1 1a60.mr . . n/a 14 comment "Not applicable" "Not applicable" 0 parsed_1a60 1
1 1a60.mr . . XPLOR/CNS 15 planarity "Not applicable" "Not applicable" 0 parsed_1a60 1
1 1a60.mr . . n/a 16 comment "Not applicable" "Not applicable" 0 parsed_1a60 1
1 1a60.mr . . XPLOR/CNS 17 distance "hydrogen bond" ambi 62 parsed_1a60 1
1 1a60.mr . . n/a 18 comment "Not applicable" "Not applicable" 0 parsed_1a60 1
1 1a60.mr . . XPLOR/CNS 19 "dihedral angle" "Not applicable" "Not applicable" 126 parsed_1a60 1
1 1a60.mr . . n/a 20 comment "Not applicable" "Not applicable" 0 parsed_1a60 1
1 1a60.mr . . XPLOR/CNS 21 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1a60 1
1 1a60.mr . . n/a 22 comment "Not applicable" "Not applicable" 0 parsed_1a60 1
1 1a60.mr . . "MR format" 23 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1a60 1
stop_
save_
save_CNS/XPLOR_dihedral_19
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1a60
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 19
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 2 . H1' . 2 . C1' . 2 . C2' . 2 . H2' parsed_1a60 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 2 . H2' . 2 . C2' . 2 . C3' . 2 . H3' parsed_1a60 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 2 . H3' . 2 . C3' . 2 . C4' . 2 . H4' parsed_1a60 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 3 . H1' . 3 . C1' . 3 . C2' . 3 . H2' parsed_1a60 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 3 . H2' . 3 . C2' . 3 . C3' . 3 . H3' parsed_1a60 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 3 . H3' . 3 . C3' . 3 . C4' . 3 . H4' parsed_1a60 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 4 . H1' . 4 . C1' . 4 . C2' . 4 . H2' parsed_1a60 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 4 . H2' . 4 . C2' . 4 . C3' . 4 . H3' parsed_1a60 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 4 . H3' . 4 . C3' . 4 . C4' . 4 . H4' parsed_1a60 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 5 . H1' . 5 . C1' . 5 . C2' . 5 . H2' parsed_1a60 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 5 . H2' . 5 . C2' . 5 . C3' . 5 . H3' parsed_1a60 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 5 . H3' . 5 . C3' . 5 . C4' . 5 . H4' parsed_1a60 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 6 . H1' . 6 . C1' . 6 . C2' . 6 . H2' parsed_1a60 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 6 . H2' . 6 . C2' . 6 . C3' . 6 . H3' parsed_1a60 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 6 . H3' . 6 . C3' . 6 . C4' . 6 . H4' parsed_1a60 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 7 . H1' . 7 . C1' . 7 . C2' . 7 . H2' parsed_1a60 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 7 . H2' . 7 . C2' . 7 . C3' . 7 . H3' parsed_1a60 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 7 . H3' . 7 . C3' . 7 . C4' . 7 . H4' parsed_1a60 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 9 . H1' . 9 . C1' . 9 . C2' . 9 . H2' parsed_1a60 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 9 . H2' . 9 . C2' . 9 . C3' . 9 . H3' parsed_1a60 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 9 . H3' . 9 . C3' . 9 . C4' . 9 . H4' parsed_1a60 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 10 . H1' . 10 . C1' . 10 . C2' . 10 . H2' parsed_1a60 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 10 . H2' . 10 . C2' . 10 . C3' . 10 . H3' parsed_1a60 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 10 . H3' . 10 . C3' . 10 . C4' . 10 . H4' parsed_1a60 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 11 . H1' . 11 . C1' . 11 . C2' . 11 . H2' parsed_1a60 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 11 . H2' . 11 . C2' . 11 . C3' . 11 . H3' parsed_1a60 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 11 . H3' . 11 . C3' . 11 . C4' . 11 . H4' parsed_1a60 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 12 . H1' . 12 . C1' . 12 . C2' . 12 . H2' parsed_1a60 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 12 . H2' . 12 . C2' . 12 . C3' . 12 . H3' parsed_1a60 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 12 . H3' . 12 . C3' . 12 . C4' . 12 . H4' parsed_1a60 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 12 . H1' . 12 . C1' . 12 . C2' . 12 . H2' parsed_1a60 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 12 . H2' . 12 . C2' . 12 . C3' . 12 . H3' parsed_1a60 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 12 . H3' . 12 . C3' . 12 . C4' . 12 . H4' parsed_1a60 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 13 . H1' . 13 . C1' . 13 . C2' . 13 . H2' parsed_1a60 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 13 . H2' . 13 . C2' . 13 . C3' . 13 . H3' parsed_1a60 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 13 . H3' . 13 . C3' . 13 . C4' . 13 . H4' parsed_1a60 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 14 . H1' . 14 . C1' . 14 . C2' . 14 . H2' parsed_1a60 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 14 . H2' . 14 . C2' . 14 . C3' . 14 . H3' parsed_1a60 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 14 . H3' . 14 . C3' . 14 . C4' . 14 . H4' parsed_1a60 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 15 . H1' . 15 . C1' . 15 . C2' . 15 . H2' parsed_1a60 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 15 . H2' . 15 . C2' . 15 . C3' . 15 . H3' parsed_1a60 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 15 . H3' . 15 . C3' . 15 . C4' . 15 . H4' parsed_1a60 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 16 . H1' . 16 . C1' . 16 . C2' . 16 . H2' parsed_1a60 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 16 . H2' . 16 . C2' . 16 . C3' . 16 . H3' parsed_1a60 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 16 . H3' . 16 . C3' . 16 . C4' . 16 . H4' parsed_1a60 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 17 . H1' . 17 . C1' . 17 . C2' . 17 . H2' parsed_1a60 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 17 . H2' . 17 . C2' . 17 . C3' . 17 . H3' parsed_1a60 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 17 . H3' . 17 . C3' . 17 . C4' . 17 . H4' parsed_1a60 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 18 . H1' . 18 . C1' . 18 . C2' . 18 . H2' parsed_1a60 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 18 . H2' . 18 . C2' . 18 . C3' . 18 . H3' parsed_1a60 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 18 . H3' . 18 . C3' . 18 . C4' . 18 . H4' parsed_1a60 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 19 . H1' . 19 . C1' . 19 . C2' . 19 . H2' parsed_1a60 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 19 . H2' . 19 . C2' . 19 . C3' . 19 . H3' parsed_1a60 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 19 . H3' . 19 . C3' . 19 . C4' . 19 . H4' parsed_1a60 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 20 . H1' . 20 . C1' . 20 . C2' . 20 . H2' parsed_1a60 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 20 . H2' . 20 . C2' . 20 . C3' . 20 . H3' parsed_1a60 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 20 . H3' . 20 . C3' . 20 . C4' . 20 . H4' parsed_1a60 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 21 . H1' . 21 . C1' . 21 . C2' . 21 . H2' parsed_1a60 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 21 . H2' . 21 . C2' . 21 . C3' . 21 . H3' parsed_1a60 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 21 . H3' . 21 . C3' . 21 . C4' . 21 . H4' parsed_1a60 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 147.4 167.4 . . 22 . H1' . 22 . C1' . 22 . C2' . 22 . H2' parsed_1a60 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.6 -24.6 . . 22 . H2' . 22 . C2' . 22 . C3' . 22 . H3' parsed_1a60 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.5 -90.5 . . 22 . H3' . 22 . C3' . 22 . C4' . 22 . H4' parsed_1a60 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 23 . H1' . 23 . C1' . 23 . C2' . 23 . H2' parsed_1a60 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 23 . H2' . 23 . C2' . 23 . C3' . 23 . H3' parsed_1a60 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 23 . H3' . 23 . C3' . 23 . C4' . 23 . H4' parsed_1a60 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 24 . H1' . 24 . C1' . 24 . C2' . 24 . H2' parsed_1a60 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 24 . H2' . 24 . C2' . 24 . C3' . 24 . H3' parsed_1a60 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 24 . H3' . 24 . C3' . 24 . C4' . 24 . H4' parsed_1a60 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 25 . H1' . 25 . C1' . 25 . C2' . 25 . H2' parsed_1a60 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 25 . H2' . 25 . C2' . 25 . C3' . 25 . H3' parsed_1a60 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 25 . H3' . 25 . C3' . 25 . C4' . 25 . H4' parsed_1a60 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 26 . H1' . 26 . C1' . 26 . C2' . 26 . H2' parsed_1a60 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 26 . H2' . 26 . C2' . 26 . C3' . 26 . H3' parsed_1a60 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 26 . H3' . 26 . C3' . 26 . C4' . 26 . H4' parsed_1a60 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 27 . H1' . 27 . C1' . 27 . C2' . 27 . H2' parsed_1a60 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 27 . H2' . 27 . C2' . 27 . C3' . 27 . H3' parsed_1a60 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 27 . H3' . 27 . C3' . 27 . C4' . 27 . H4' parsed_1a60 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 28 . H1' . 28 . C1' . 28 . C2' . 28 . H2' parsed_1a60 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 28 . H2' . 28 . C2' . 28 . C3' . 28 . H3' parsed_1a60 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 28 . H3' . 28 . C3' . 28 . C4' . 28 . H4' parsed_1a60 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 29 . H1' . 29 . C1' . 29 . C2' . 29 . H2' parsed_1a60 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 29 . H2' . 29 . C2' . 29 . C3' . 29 . H3' parsed_1a60 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 29 . H3' . 29 . C3' . 29 . C4' . 29 . H4' parsed_1a60 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 30 . H1' . 30 . C1' . 30 . C2' . 30 . H2' parsed_1a60 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 30 . H2' . 30 . C2' . 30 . C3' . 30 . H3' parsed_1a60 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 30 . H3' . 30 . C3' . 30 . C4' . 30 . H4' parsed_1a60 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 31 . H1' . 31 . C1' . 31 . C2' . 31 . H2' parsed_1a60 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 31 . H2' . 31 . C2' . 31 . C3' . 31 . H3' parsed_1a60 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 31 . H3' . 31 . C3' . 31 . C4' . 31 . H4' parsed_1a60 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 32 . H1' . 32 . C1' . 32 . C2' . 32 . H2' parsed_1a60 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 32 . H2' . 32 . C2' . 32 . C3' . 32 . H3' parsed_1a60 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 32 . H3' . 32 . C3' . 32 . C4' . 32 . H4' parsed_1a60 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 147.4 167.4 . . 33 . H1' . 33 . C1' . 33 . C2' . 33 . H2' parsed_1a60 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.6 -24.6 . . 33 . H2' . 33 . C2' . 33 . C3' . 33 . H3' parsed_1a60 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.5 -90.5 . . 33 . H3' . 33 . C3' . 33 . C4' . 33 . H4' parsed_1a60 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 34 . H1' . 34 . C1' . 34 . C2' . 34 . H2' parsed_1a60 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 34 . H2' . 34 . C2' . 34 . C3' . 34 . H3' parsed_1a60 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 34 . H3' . 34 . C3' . 34 . C4' . 34 . H4' parsed_1a60 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 147.4 167.4 . . 35 . H1' . 35 . C1' . 35 . C2' . 35 . H2' parsed_1a60 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.6 -24.6 . . 35 . H2' . 35 . C2' . 35 . C3' . 35 . H3' parsed_1a60 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.5 -90.5 . . 35 . H3' . 35 . C3' . 35 . C4' . 35 . H4' parsed_1a60 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 36 . H1' . 36 . C1' . 36 . C2' . 36 . H2' parsed_1a60 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 36 . H2' . 36 . C2' . 36 . C3' . 36 . H3' parsed_1a60 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 36 . H3' . 36 . C3' . 36 . C4' . 36 . H4' parsed_1a60 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 37 . H1' . 37 . C1' . 37 . C2' . 37 . H2' parsed_1a60 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 37 . H2' . 37 . C2' . 37 . C3' . 37 . H3' parsed_1a60 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 37 . H3' . 37 . C3' . 37 . C4' . 37 . H4' parsed_1a60 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 38 . H1' . 38 . C1' . 38 . C2' . 38 . H2' parsed_1a60 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 38 . H2' . 38 . C2' . 38 . C3' . 38 . H3' parsed_1a60 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 38 . H3' . 38 . C3' . 38 . C4' . 38 . H4' parsed_1a60 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 39 . H1' . 39 . C1' . 39 . C2' . 39 . H2' parsed_1a60 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 39 . H2' . 39 . C2' . 39 . C3' . 39 . H3' parsed_1a60 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 39 . H3' . 39 . C3' . 39 . C4' . 39 . H4' parsed_1a60 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 40 . H1' . 40 . C1' . 40 . C2' . 40 . H2' parsed_1a60 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 40 . H2' . 40 . C2' . 40 . C3' . 40 . H3' parsed_1a60 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 40 . H3' . 40 . C3' . 40 . C4' . 40 . H4' parsed_1a60 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 41 . H1' . 41 . C1' . 41 . C2' . 41 . H2' parsed_1a60 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 41 . H2' . 41 . C2' . 41 . C3' . 41 . H3' parsed_1a60 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 41 . H3' . 41 . C3' . 41 . C4' . 41 . H4' parsed_1a60 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 42 . H1' . 42 . C1' . 42 . C2' . 42 . H2' parsed_1a60 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 42 . H2' . 42 . C2' . 42 . C3' . 42 . H3' parsed_1a60 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 42 . H3' . 42 . C3' . 42 . C4' . 42 . H4' parsed_1a60 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 109.2 . . 43 . H1' . 43 . C1' . 43 . C2' . 43 . H2' parsed_1a60 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 49.4 . . 43 . H2' . 43 . C2' . 43 . C3' . 43 . H3' parsed_1a60 1
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -152.0 . . 43 . H3' . 43 . C3' . 43 . C4' . 43 . H4' parsed_1a60 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 "U22 S-type" 373 1 373 13 parsed_1a60 1
2 "U33 S-type" 581 1 581 13 parsed_1a60 1
stop_
save_