NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
35298 |
1laq   |
cing | 2-parsed | STAR | dihedral angle | 99 |
data_1laq_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1laq
_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_1laq 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1laq
_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 1laq "Master copy" parsed_1laq
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1laq
_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 1laq.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1laq 1
1 1laq.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1laq 1
1 1laq.mr . . XPLOR/CNS 3 distance NOE ambi 182 parsed_1laq 1
1 1laq.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1laq 1
1 1laq.mr . . XPLOR/CNS 5 distance NOE ambi 140 parsed_1laq 1
1 1laq.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1laq 1
1 1laq.mr . . XPLOR/CNS 7 distance NOE ambi 188 parsed_1laq 1
1 1laq.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1laq 1
1 1laq.mr . . XPLOR/CNS 9 distance NOE ambi 77 parsed_1laq 1
1 1laq.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_1laq 1
1 1laq.mr . . XPLOR/CNS 11 "dihedral angle" "Not applicable" "Not applicable" 24 parsed_1laq 1
1 1laq.mr . . n/a 12 comment "Not applicable" "Not applicable" 0 parsed_1laq 1
1 1laq.mr . . XPLOR/CNS 13 "dihedral angle" "Not applicable" "Not applicable" 27 parsed_1laq 1
1 1laq.mr . . n/a 14 comment "Not applicable" "Not applicable" 0 parsed_1laq 1
1 1laq.mr . . XPLOR/CNS 15 "dihedral angle" "Not applicable" "Not applicable" 99 parsed_1laq 1
1 1laq.mr . . n/a 16 comment "Not applicable" "Not applicable" 0 parsed_1laq 1
1 1laq.mr . . "MR format" 17 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1laq 1
stop_
save_
save_CNS/XPLOR_dihedral_15
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1laq
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 15
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.0 0.0 . . 1 . C4' . 1 . O4' . 1 . C1' . 1 . C2' parsed_1laq 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 23.0 38.0 . . 1 . O4' . 1 . C1' . 1 . C2' . 1 . C3' parsed_1laq 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -36.0 . . 1 . C1' . 1 . C2' . 1 . C3' . 1 . C4' parsed_1laq 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19.0 38.0 . . 1 . C2' . 1 . C3' . 1 . C4' . 1 . O4' parsed_1laq 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -25.0 4.0 . . 1 . C3' . 1 . C4' . 1 . O4' . 1 . C1' parsed_1laq 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.0 5.0 . . 3 . C4' . 3 . O4' . 3 . C1' . 3 . C2' parsed_1laq 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19.0 40.0 . . 3 . O4' . 3 . C1' . 3 . C2' . 3 . C3' parsed_1laq 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -21.0 . . 3 . C1' . 3 . C2' . 3 . C3' . 3 . C4' parsed_1laq 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.0 40.0 . . 3 . C2' . 3 . C3' . 3 . C4' . 3 . O4' parsed_1laq 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -27.0 24.0 . . 3 . C3' . 3 . C4' . 3 . O4' . 3 . C1' parsed_1laq 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -31.0 -5.0 . . 4 . C4' . 4 . O4' . 4 . C1' . 4 . C2' parsed_1laq 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 28.0 40.0 . . 4 . O4' . 4 . C1' . 4 . C2' . 4 . C3' parsed_1laq 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -32.0 . . 4 . C1' . 4 . C2' . 4 . C3' . 4 . C4' parsed_1laq 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 13.0 37.0 . . 4 . C2' . 4 . C3' . 4 . C4' . 4 . O4' parsed_1laq 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -20.0 11.0 . . 4 . C3' . 4 . C4' . 4 . O4' . 4 . C1' parsed_1laq 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 32.0 . . 5 . C4' . 5 . O4' . 5 . C1' . 5 . C2' parsed_1laq 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.0 39.0 . . 5 . O4' . 5 . C1' . 5 . C2' . 5 . C3' parsed_1laq 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -15.0 . . 5 . C1' . 5 . C2' . 5 . C3' . 5 . C4' parsed_1laq 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16.0 40.0 . . 5 . C2' . 5 . C3' . 5 . C4' . 5 . O4' parsed_1laq 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 10.0 . . 5 . C3' . 5 . C4' . 5 . O4' . 5 . C1' parsed_1laq 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 34.0 . . 9 . C4' . 9 . O4' . 9 . C1' . 9 . C2' parsed_1laq 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -11.0 40.0 . . 9 . O4' . 9 . C1' . 9 . C2' . 9 . C3' parsed_1laq 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -11.0 . . 9 . C1' . 9 . C2' . 9 . C3' . 9 . C4' parsed_1laq 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 14.0 40.0 . . 9 . C2' . 9 . C3' . 9 . C4' . 9 . O4' parsed_1laq 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 11.0 . . 9 . C3' . 9 . C4' . 9 . O4' . 9 . C1' parsed_1laq 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -29.0 26.0 . . 10 . C4' . 10 . O4' . 10 . C1' . 10 . C2' parsed_1laq 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -3.0 39.0 . . 10 . O4' . 10 . C1' . 10 . C2' . 10 . C3' parsed_1laq 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -22.0 . . 10 . C1' . 10 . C2' . 10 . C3' . 10 . C4' parsed_1laq 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18.0 40.0 . . 10 . C2' . 10 . C3' . 10 . C4' . 10 . O4' parsed_1laq 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.0 8.0 . . 10 . C3' . 10 . C4' . 10 . O4' . 10 . C1' parsed_1laq 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -27.0 25.0 . . 12 . C4' . 12 . O4' . 12 . C1' . 12 . C2' parsed_1laq 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 39.0 . . 12 . O4' . 12 . C1' . 12 . C2' . 12 . C3' parsed_1laq 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -22.0 . . 12 . C1' . 12 . C2' . 12 . C3' . 12 . C4' parsed_1laq 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 40.0 . . 12 . C2' . 12 . C3' . 12 . C4' . 12 . O4' parsed_1laq 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 4.0 . . 12 . C3' . 12 . C4' . 12 . O4' . 12 . C1' parsed_1laq 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -17.0 14.0 . . 13 . C4' . 13 . O4' . 13 . C1' . 13 . C2' parsed_1laq 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 36.0 . . 13 . O4' . 13 . C1' . 13 . C2' . 13 . C3' parsed_1laq 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -23.0 . . 13 . C1' . 13 . C2' . 13 . C3' . 13 . C4' parsed_1laq 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 40.0 . . 13 . C2' . 13 . C3' . 13 . C4' . 13 . O4' parsed_1laq 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.0 -7.0 . . 13 . C3' . 13 . C4' . 13 . O4' . 13 . C1' parsed_1laq 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.0 0.0 . . 14 . C4' . 14 . O4' . 14 . C1' . 14 . C2' parsed_1laq 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 23.0 38.0 . . 14 . O4' . 14 . C1' . 14 . C2' . 14 . C3' parsed_1laq 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -36.0 . . 14 . C1' . 14 . C2' . 14 . C3' . 14 . C4' parsed_1laq 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19.0 38.0 . . 14 . C2' . 14 . C3' . 14 . C4' . 14 . O4' parsed_1laq 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -25.0 4.0 . . 14 . C3' . 14 . C4' . 14 . O4' . 14 . C1' parsed_1laq 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.0 20.0 . . 16 . C4' . 16 . O4' . 16 . C1' . 16 . C2' parsed_1laq 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3.0 39.0 . . 16 . O4' . 16 . C1' . 16 . C2' . 16 . C3' parsed_1laq 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -26.0 . . 16 . C1' . 16 . C2' . 16 . C3' . 16 . C4' parsed_1laq 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 40.0 . . 16 . C2' . 16 . C3' . 16 . C4' . 16 . O4' parsed_1laq 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 7.0 . . 16 . C3' . 16 . C4' . 16 . O4' . 16 . C1' parsed_1laq 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.0 1.0 . . 17 . C4' . 17 . O4' . 17 . C1' . 17 . C2' parsed_1laq 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22.0 40.0 . . 17 . O4' . 17 . C1' . 17 . C2' . 17 . C3' parsed_1laq 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -30.0 . . 17 . C1' . 17 . C2' . 17 . C3' . 17 . C4' parsed_1laq 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11.0 39.0 . . 17 . C2' . 17 . C3' . 17 . C4' . 17 . O4' parsed_1laq 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -24.0 13.0 . . 17 . C3' . 17 . C4' . 17 . O4' . 17 . C1' parsed_1laq 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 22.0 . . 18 . C4' . 18 . O4' . 18 . C1' . 18 . C2' parsed_1laq 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -11.0 40.0 . . 18 . O4' . 18 . C1' . 18 . C2' . 18 . C3' parsed_1laq 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -12.0 . . 18 . C1' . 18 . C2' . 18 . C3' . 18 . C4' parsed_1laq 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1.0 40.0 . . 18 . C2' . 18 . C3' . 18 . C4' . 18 . O4' parsed_1laq 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 22.0 . . 18 . C3' . 18 . C4' . 18 . O4' . 18 . C1' parsed_1laq 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.0 8.0 . . 19 . C4' . 19 . O4' . 19 . C1' . 19 . C2' parsed_1laq 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17.0 45.0 . . 19 . O4' . 19 . C1' . 19 . C2' . 19 . C3' parsed_1laq 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.0 -23.0 . . 19 . C1' . 19 . C2' . 19 . C3' . 19 . C4' parsed_1laq 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3.0 43.0 . . 19 . C2' . 19 . C3' . 19 . C4' . 19 . O4' parsed_1laq 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 25.0 . . 19 . C3' . 19 . C4' . 19 . O4' . 19 . C1' parsed_1laq 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.0 2.0 . . 20 . C4' . 20 . O4' . 20 . C1' . 20 . C2' parsed_1laq 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22.0 40.0 . . 20 . O4' . 20 . C1' . 20 . C2' . 20 . C3' parsed_1laq 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -28.0 . . 20 . C1' . 20 . C2' . 20 . C3' . 20 . C4' parsed_1laq 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8.0 38.0 . . 20 . C2' . 20 . C3' . 20 . C4' . 20 . O4' parsed_1laq 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -25.0 20.0 . . 20 . C3' . 20 . C4' . 20 . O4' . 20 . C1' parsed_1laq 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.0 32.0 . . 21 . C4' . 21 . O4' . 21 . C1' . 21 . C2' parsed_1laq 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.0 40.0 . . 21 . O4' . 21 . C1' . 21 . C2' . 21 . C3' parsed_1laq 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -12.0 . . 21 . C1' . 21 . C2' . 21 . C3' . 21 . C4' parsed_1laq 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1.0 40.0 . . 21 . C2' . 21 . C3' . 21 . C4' . 21 . O4' parsed_1laq 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 22.0 . . 21 . C3' . 21 . C4' . 21 . O4' . 21 . C1' parsed_1laq 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -20.0 29.0 . . 22 . C4' . 22 . O4' . 22 . C1' . 22 . C2' parsed_1laq 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -7.0 38.0 . . 22 . O4' . 22 . C1' . 22 . C2' . 22 . C3' parsed_1laq 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -20.0 . . 22 . C1' . 22 . C2' . 22 . C3' . 22 . C4' parsed_1laq 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 28.0 40.0 . . 22 . C2' . 22 . C3' . 22 . C4' . 22 . O4' parsed_1laq 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.0 -4.0 . . 22 . C3' . 22 . C4' . 22 . O4' . 22 . C1' parsed_1laq 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -31.0 7.0 . . 23 . C4' . 23 . O4' . 23 . C1' . 23 . C2' parsed_1laq 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19.0 40.0 . . 23 . O4' . 23 . C1' . 23 . C2' . 23 . C3' parsed_1laq 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -32.0 . . 23 . C1' . 23 . C2' . 23 . C3' . 23 . C4' parsed_1laq 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 14.0 39.0 . . 23 . C2' . 23 . C3' . 23 . C4' . 23 . O4' parsed_1laq 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -27.0 11.0 . . 23 . C3' . 23 . C4' . 23 . O4' . 23 . C1' parsed_1laq 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -27.0 25.0 . . 25 . C4' . 25 . O4' . 25 . C1' . 25 . C2' parsed_1laq 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 39.0 . . 25 . O4' . 25 . C1' . 25 . C2' . 25 . C3' parsed_1laq 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -22.0 . . 25 . C1' . 25 . C2' . 25 . C3' . 25 . C4' parsed_1laq 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 40.0 . . 25 . C2' . 25 . C3' . 25 . C4' . 25 . O4' parsed_1laq 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 4.0 . . 25 . C3' . 25 . C4' . 25 . O4' . 25 . C1' parsed_1laq 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -17.0 14.0 . . 26 . C4' . 26 . O4' . 26 . C1' . 26 . C2' parsed_1laq 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 36.0 . . 26 . O4' . 26 . C1' . 26 . C2' . 26 . C3' parsed_1laq 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -23.0 . . 26 . C1' . 26 . C2' . 26 . C3' . 26 . C4' parsed_1laq 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 40.0 . . 26 . C2' . 26 . C3' . 26 . C4' . 26 . O4' parsed_1laq 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.0 -7.0 . . 26 . C3' . 26 . C4' . 26 . O4' . 26 . C1' parsed_1laq 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.0 5.0 . . 7 . N1 . 7 . C2 . 7 . N2 . 7 . C6A parsed_1laq 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.0 5.0 . . 20 . O2 . 20 . C2 . 20 . N3 . 20 . H3 parsed_1laq 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.0 5.0 . . 20 . H3 . 20 . N3 . 20 . C4 . 20 . N4 parsed_1laq 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.0 5.0 . . 20 . N4 . 20 . C4 . 20 . C5 . 20 . H5 parsed_1laq 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
;
assign (resid 6 and name C4') (resid 6 and name O4')
(resid 6 and name C1') (resid 6 and name C2') 10.0 -2.5 26.5 2
assign (resid 6 and name O4') (resid 6 and name C1')
(resid 6 and name C2') (resid 6 and name C3') 10.0 19.5 19.5 2
assign (resid 6 and name C1') (resid 6 and name C2')
(resid 6 and name C3') (resid 6 and name C4') 10.0 -31.5 8.5 2
assign (resid 6 and name C2') (resid 6 and name C3')
(resid 6 and name C4') (resid 6 and name O4') 10.0 29.0 11.0 2
assign (resid 6 and name C3') (resid 6 and name C4')
(resid 6 and name O4') (resid 6 and name C1') 10.0 -15.0 22.0 2
assign (resid 7 and name C4') (resid 7 and name O4')
(resid 7 and name C1') (resid 7 and name C2') 10.0 0.0 32.0 2
assign (resid 7 and name O4') (resid 7 and name C1')
(resid 7 and name C2') (resid 7 and name C3') 10.0 14.5 25.5 2
assign (resid 7 and name C1') (resid 7 and name C2')
(resid 7 and name C3') (resid 7 and name C4') 10.0 -25.5 14.5 2
assign (resid 7 and name C2') (resid 7 and name C3')
(resid 7 and name C4') (resid 7 and name O4') 10.0 26.5 13.5 2
assign (resid 7 and name C3') (resid 7 and name C4')
(resid 7 and name O4') (resid 7 and name C1') 10.0 -15.0 25.0 2
;
41 1 60 80 parsed_1laq 1
2 generic 141 1 141 10 parsed_1laq 1
3 "c20 c2-endo" 152 1 152 14 parsed_1laq 1
4 "RESTRAINT TO HOLD PDG IMINO PLANAR" 214 1 214 37 parsed_1laq 1
5
;
assign (resid 7 and name C8 ) (resid 7 and name N9 )
(resid 7 and name C1') (resid 7 and name H1') 20.0 0.0 10.0 2
RETAIN C20 PLANARITY
;
217 1 219 23 parsed_1laq 1
stop_
save_
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