NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
619797 |
5tgg   |
30184 | cing | 2-parsed | STAR | dihedral angle | 124 |
data_5tgg_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5tgg
_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_5tgg 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5tgg
_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 5tgg "Master copy" parsed_5tgg
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5tgg
_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 5tgg.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5tgg 1
1 5tgg.mr . . XPLOR/CNS 2 distance NOE simple 150 parsed_5tgg 1
1 5tgg.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 124 parsed_5tgg 1
1 5tgg.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5tgg 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5tgg
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 3 . p A 3 . o5' A 3 . c5' A 3 . c4' parsed_5tgg 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 4 . p A 4 . o5' A 4 . c5' A 4 . c4' parsed_5tgg 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 5 . p A 5 . o5' A 5 . c5' A 5 . c4' parsed_5tgg 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . A 6 . p A 6 . o5' A 6 . c5' A 6 . c4' parsed_5tgg 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 7 . p A 7 . o5' A 7 . c5' A 7 . c4' parsed_5tgg 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 8 . p A 8 . o5' A 8 . c5' A 8 . c4' parsed_5tgg 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 9 . p A 9 . o5' A 9 . c5' A 9 . c4' parsed_5tgg 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . B 3 . p B 3 . o5' B 3 . c5' B 3 . c4' parsed_5tgg 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . B 4 . p B 4 . o5' B 4 . c5' B 4 . c4' parsed_5tgg 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . B 5 . p B 5 . o5' B 5 . c5' B 5 . c4' parsed_5tgg 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . B 6 . p B 6 . o5' B 6 . c5' B 6 . c4' parsed_5tgg 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . B 7 . p B 7 . o5' B 7 . c5' B 7 . c4' parsed_5tgg 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . B 8 . p B 8 . o5' B 8 . c5' B 8 . c4' parsed_5tgg 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . B 9 . p B 9 . o5' B 9 . c5' B 9 . c4' parsed_5tgg 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . A 2 . o5' A 2 . c5' A 2 . c4' A 2 . c3' parsed_5tgg 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . A 3 . o5' A 3 . c5' A 3 . c4' A 3 . c3' parsed_5tgg 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . A 4 . o5' A 4 . c5' A 4 . c4' A 4 . c3' parsed_5tgg 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . A 5 . o5' A 5 . c5' A 5 . c4' A 5 . c3' parsed_5tgg 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . A 6 . o5' A 6 . c5' A 6 . c4' A 6 . c3' parsed_5tgg 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . A 7 . o5' A 7 . c5' A 7 . c4' A 7 . c3' parsed_5tgg 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . A 8 . o5' A 8 . c5' A 8 . c4' A 8 . c3' parsed_5tgg 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . A 9 . o5' A 9 . c5' A 9 . c4' A 9 . c3' parsed_5tgg 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . B 2 . o5' B 2 . c5' B 2 . c4' B 2 . c3' parsed_5tgg 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . B 3 . o5' B 3 . c5' B 3 . c4' B 3 . c3' parsed_5tgg 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . B 4 . o5' B 4 . c5' B 4 . c4' B 4 . c3' parsed_5tgg 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . B 5 . o5' B 5 . c5' B 5 . c4' B 5 . c3' parsed_5tgg 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . B 6 . o5' B 6 . c5' B 6 . c4' B 6 . c3' parsed_5tgg 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . B 7 . o5' B 7 . c5' B 7 . c4' B 7 . c3' parsed_5tgg 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . B 8 . o5' B 8 . c5' B 8 . c4' B 8 . c3' parsed_5tgg 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . B 9 . o5' B 9 . c5' B 9 . c4' B 9 . c3' parsed_5tgg 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -100.0 . A 2 . c4' A 2 . c3' A 2 . o3' A 3 . p parsed_5tgg 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -100.0 . A 3 . c4' A 3 . c3' A 3 . o3' A 4 . p parsed_5tgg 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -100.0 . A 4 . c4' A 4 . c3' A 4 . o3' A 5 . p parsed_5tgg 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -100.0 . A 5 . c4' A 5 . c3' A 5 . o3' A 6 . p parsed_5tgg 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -100.0 . A 6 . c4' A 6 . c3' A 6 . o3' A 7 . p parsed_5tgg 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -100.0 . A 7 . c4' A 7 . c3' A 7 . o3' A 8 . p parsed_5tgg 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -100.0 . A 8 . c4' A 8 . c3' A 8 . o3' A 9 . p parsed_5tgg 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -100.0 . B 2 . c4' B 2 . c3' B 2 . o3' B 3 . p parsed_5tgg 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -100.0 . B 3 . c4' B 3 . c3' B 3 . o3' B 4 . p parsed_5tgg 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -100.0 . B 4 . c4' B 4 . c3' B 4 . o3' B 5 . p parsed_5tgg 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -100.0 . B 5 . c4' B 5 . c3' B 5 . o3' B 6 . p parsed_5tgg 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -100.0 . B 6 . c4' B 6 . c3' B 6 . o3' B 7 . p parsed_5tgg 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -100.0 . B 7 . c4' B 7 . c3' B 7 . o3' B 8 . p parsed_5tgg 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -100.0 . B 8 . c4' B 8 . c3' B 8 . o3' B 9 . p parsed_5tgg 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -11.4 11.4 . A 2 . c4' A 2 . o4' A 2 . c1' A 2 . c2' parsed_5tgg 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -11.4 11.4 . A 3 . c4' A 3 . o4' A 3 . c1' A 3 . c2' parsed_5tgg 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -11.4 11.4 . A 4 . c4' A 4 . o4' A 4 . c1' A 4 . c2' parsed_5tgg 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -11.4 11.4 . A 5 . c4' A 5 . o4' A 5 . c1' A 5 . c2' parsed_5tgg 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -11.4 11.4 . A 6 . c4' A 6 . o4' A 6 . c1' A 6 . c2' parsed_5tgg 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -11.4 11.4 . A 7 . c4' A 7 . o4' A 7 . c1' A 7 . c2' parsed_5tgg 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -11.4 11.4 . A 8 . c4' A 8 . o4' A 8 . c1' A 8 . c2' parsed_5tgg 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -11.4 11.4 . A 9 . c4' A 9 . o4' A 9 . c1' A 9 . c2' parsed_5tgg 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -11.4 11.4 . B 2 . c4' B 2 . o4' B 2 . c1' B 2 . c2' parsed_5tgg 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -11.4 11.4 . B 3 . c4' B 3 . o4' B 3 . c1' B 3 . c2' parsed_5tgg 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -11.4 11.4 . B 4 . c4' B 4 . o4' B 4 . c1' B 4 . c2' parsed_5tgg 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -11.4 11.4 . B 5 . c4' B 5 . o4' B 5 . c1' B 5 . c2' parsed_5tgg 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -11.4 11.4 . B 6 . c4' B 6 . o4' B 6 . c1' B 6 . c2' parsed_5tgg 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -11.4 11.4 . B 7 . c4' B 7 . o4' B 7 . c1' B 7 . c2' parsed_5tgg 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -11.4 11.4 . B 8 . c4' B 8 . o4' B 8 . c1' B 8 . c2' parsed_5tgg 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -11.4 11.4 . B 9 . c4' B 9 . o4' B 9 . c1' B 9 . c2' parsed_5tgg 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 -11.4 . A 2 . o4' A 2 . c1' A 2 . c2' A 2 . c3' parsed_5tgg 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 -11.4 . A 3 . o4' A 3 . c1' A 3 . c2' A 3 . c3' parsed_5tgg 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 -11.4 . A 4 . o4' A 4 . c1' A 4 . c2' A 4 . c3' parsed_5tgg 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 -11.4 . A 5 . o4' A 5 . c1' A 5 . c2' A 5 . c3' parsed_5tgg 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 -11.4 . A 6 . o4' A 6 . c1' A 6 . c2' A 6 . c3' parsed_5tgg 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 -11.4 . A 7 . o4' A 7 . c1' A 7 . c2' A 7 . c3' parsed_5tgg 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 -11.4 . A 8 . o4' A 8 . c1' A 8 . c2' A 8 . c3' parsed_5tgg 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 -11.4 . A 9 . o4' A 9 . c1' A 9 . c2' A 9 . c3' parsed_5tgg 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 -11.4 . B 2 . o4' B 2 . c1' B 2 . c2' B 2 . c3' parsed_5tgg 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 -11.4 . B 3 . o4' B 3 . c1' B 3 . c2' B 3 . c3' parsed_5tgg 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 -11.4 . B 4 . o4' B 4 . c1' B 4 . c2' B 4 . c3' parsed_5tgg 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 -11.4 . B 5 . o4' B 5 . c1' B 5 . c2' B 5 . c3' parsed_5tgg 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 -11.4 . B 6 . o4' B 6 . c1' B 6 . c2' B 6 . c3' parsed_5tgg 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 -11.4 . B 7 . o4' B 7 . c1' B 7 . c2' B 7 . c3' parsed_5tgg 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 -11.4 . B 8 . o4' B 8 . c1' B 8 . c2' B 8 . c3' parsed_5tgg 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 -11.4 . B 9 . o4' B 9 . c1' B 9 . c2' B 9 . c3' parsed_5tgg 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.9 37.1 . A 2 . c1' A 2 . c2' A 2 . c3' A 2 . c4' parsed_5tgg 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.9 37.1 . A 3 . c1' A 3 . c2' A 3 . c3' A 3 . c4' parsed_5tgg 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.9 37.1 . A 4 . c1' A 4 . c2' A 4 . c3' A 4 . c4' parsed_5tgg 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.9 37.1 . A 5 . c1' A 5 . c2' A 5 . c3' A 5 . c4' parsed_5tgg 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.9 37.1 . A 6 . c1' A 6 . c2' A 6 . c3' A 6 . c4' parsed_5tgg 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.9 37.1 . A 7 . c1' A 7 . c2' A 7 . c3' A 7 . c4' parsed_5tgg 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.9 37.1 . A 8 . c1' A 8 . c2' A 8 . c3' A 8 . c4' parsed_5tgg 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.9 37.1 . A 9 . c1' A 9 . c2' A 9 . c3' A 9 . c4' parsed_5tgg 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.9 37.1 . B 2 . c1' B 2 . c2' B 2 . c3' B 2 . c4' parsed_5tgg 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.9 37.1 . B 3 . c1' B 3 . c2' B 3 . c3' B 3 . c4' parsed_5tgg 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.9 37.1 . B 4 . c1' B 4 . c2' B 4 . c3' B 4 . c4' parsed_5tgg 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.9 37.1 . B 5 . c1' B 5 . c2' B 5 . c3' B 5 . c4' parsed_5tgg 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.9 37.1 . B 6 . c1' B 6 . c2' B 6 . c3' B 6 . c4' parsed_5tgg 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.9 37.1 . B 7 . c1' B 7 . c2' B 7 . c3' B 7 . c4' parsed_5tgg 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.9 37.1 . B 8 . c1' B 8 . c2' B 8 . c3' B 8 . c4' parsed_5tgg 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.9 37.1 . B 9 . c1' B 9 . c2' B 9 . c3' B 9 . c4' parsed_5tgg 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.1 -29.9 . A 2 . c2' A 2 . c3' A 2 . c4' A 2 . o4' parsed_5tgg 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.1 -29.9 . A 3 . c2' A 3 . c3' A 3 . c4' A 3 . o4' parsed_5tgg 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.1 -29.9 . A 4 . c2' A 4 . c3' A 4 . c4' A 4 . o4' parsed_5tgg 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.1 -29.9 . A 5 . c2' A 5 . c3' A 5 . c4' A 5 . o4' parsed_5tgg 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.1 -29.9 . A 6 . c2' A 6 . c3' A 6 . c4' A 6 . o4' parsed_5tgg 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.1 -29.9 . A 7 . c2' A 7 . c3' A 7 . c4' A 7 . o4' parsed_5tgg 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.1 -29.9 . A 8 . c2' A 8 . c3' A 8 . c4' A 8 . o4' parsed_5tgg 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.1 -29.9 . A 9 . c2' A 9 . c3' A 9 . c4' A 9 . o4' parsed_5tgg 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.1 -29.9 . B 2 . c2' B 2 . c3' B 2 . c4' B 2 . o4' parsed_5tgg 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.1 -29.9 . B 3 . c2' B 3 . c3' B 3 . c4' B 3 . o4' parsed_5tgg 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.1 -29.9 . B 4 . c2' B 4 . c3' B 4 . c4' B 4 . o4' parsed_5tgg 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.1 -29.9 . B 5 . c2' B 5 . c3' B 5 . c4' B 5 . o4' parsed_5tgg 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.1 -29.9 . B 6 . c2' B 6 . c3' B 6 . c4' B 6 . o4' parsed_5tgg 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.1 -29.9 . B 7 . c2' B 7 . c3' B 7 . c4' B 7 . o4' parsed_5tgg 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.1 -29.9 . B 8 . c2' B 8 . c3' B 8 . c4' B 8 . o4' parsed_5tgg 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.1 -29.9 . B 9 . c2' B 9 . c3' B 9 . c4' B 9 . o4' parsed_5tgg 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11.4 30.0 . A 2 . c3' A 2 . c4' A 2 . o4' A 2 . c1' parsed_5tgg 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11.4 30.0 . A 3 . c3' A 3 . c4' A 3 . o4' A 3 . c1' parsed_5tgg 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11.4 30.0 . A 4 . c3' A 4 . c4' A 4 . o4' A 4 . c1' parsed_5tgg 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11.4 30.0 . A 5 . c3' A 5 . c4' A 5 . o4' A 5 . c1' parsed_5tgg 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11.4 30.0 . A 6 . c3' A 6 . c4' A 6 . o4' A 6 . c1' parsed_5tgg 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11.4 30.0 . A 7 . c3' A 7 . c4' A 7 . o4' A 7 . c1' parsed_5tgg 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11.4 30.0 . A 8 . c3' A 8 . c4' A 8 . o4' A 8 . c1' parsed_5tgg 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11.4 30.0 . A 9 . c3' A 9 . c4' A 9 . o4' A 9 . c1' parsed_5tgg 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11.4 30.0 . B 2 . c3' B 2 . c4' B 2 . o4' B 2 . c1' parsed_5tgg 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11.4 30.0 . B 3 . c3' B 3 . c4' B 3 . o4' B 3 . c1' parsed_5tgg 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11.4 30.0 . B 4 . c3' B 4 . c4' B 4 . o4' B 4 . c1' parsed_5tgg 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11.4 30.0 . B 5 . c3' B 5 . c4' B 5 . o4' B 5 . c1' parsed_5tgg 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11.4 30.0 . B 6 . c3' B 6 . c4' B 6 . o4' B 6 . c1' parsed_5tgg 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11.4 30.0 . B 7 . c3' B 7 . c4' B 7 . o4' B 7 . c1' parsed_5tgg 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11.4 30.0 . B 8 . c3' B 8 . c4' B 8 . o4' B 8 . c1' parsed_5tgg 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11.4 30.0 . B 9 . c3' B 9 . c4' B 9 . o4' B 9 . c1' parsed_5tgg 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
;
torsion angle restraints
beta
;
1 1 3 6 parsed_5tgg 1
2 gamma 37 1 37 7 parsed_5tgg 1
3 epsilon 75 1 75 9 parsed_5tgg 1
4
;
constraints on sugar v0, v1, v2, v3 and v4 torsion angles between P = 0-36 deg.
calculated from formula: vj = vmax*cos(P+(j-2)*144),
v0
;
110 1 114 4 parsed_5tgg 1
5 v1 149 1 149 4 parsed_5tgg 1
6 v2 185 1 185 4 parsed_5tgg 1
7 v3 221 1 221 4 parsed_5tgg 1
8 v4 257 1 257 4 parsed_5tgg 1
stop_
save_
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