NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
33377 |
1i6f   |
5029 | cing | 2-parsed | STAR | dihedral angle | 76 |
data_1i6f_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1i6f
_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_1i6f 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1i6f
_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 1i6f "Master copy" parsed_1i6f
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1i6f
_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 1i6f.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1i6f 1
1 1i6f.mr . . XPLOR/CNS 2 distance NOE simple 852 parsed_1i6f 1
1 1i6f.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 70 parsed_1i6f 1
1 1i6f.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 76 parsed_1i6f 1
1 1i6f.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1i6f 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1i6f
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 1 . c . 2 . n . 2 . ca . 2 . c parsed_1i6f 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_1i6f 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_1i6f 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_1i6f 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_1i6f 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_1i6f 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_1i6f 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_1i6f 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_1i6f 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_1i6f 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_1i6f 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_1i6f 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_1i6f 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 18 . c . 19 . n . 19 . ca . 19 . c parsed_1i6f 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_1i6f 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_1i6f 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_1i6f 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_1i6f 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_1i6f 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 26 . c . 27 . n . 27 . ca . 27 . c parsed_1i6f 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_1i6f 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_1i6f 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_1i6f 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_1i6f 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_1i6f 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_1i6f 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.0 130.0 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_1i6f 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_1i6f 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 40 . c . 41 . n . 41 . ca . 41 . c parsed_1i6f 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 41 . c . 42 . n . 42 . ca . 42 . c parsed_1i6f 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 44 . c . 45 . n . 45 . ca . 45 . c parsed_1i6f 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 46 . c . 47 . n . 47 . ca . 47 . c parsed_1i6f 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 47 . c . 48 . n . 48 . ca . 48 . c parsed_1i6f 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 48 . c . 49 . n . 49 . ca . 49 . c parsed_1i6f 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -40.0 . . 49 . c . 50 . n . 50 . ca . 50 . c parsed_1i6f 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 50 . c . 51 . n . 51 . ca . 51 . c parsed_1i6f 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 51 . c . 52 . n . 52 . ca . 52 . c parsed_1i6f 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 52 . c . 53 . n . 53 . ca . 53 . c parsed_1i6f 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 53 . c . 54 . n . 54 . ca . 54 . c parsed_1i6f 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 54 . c . 55 . n . 55 . ca . 55 . c parsed_1i6f 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 55 . c . 56 . n . 56 . ca . 56 . c parsed_1i6f 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 56 . c . 57 . n . 57 . ca . 57 . c parsed_1i6f 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 57 . c . 58 . n . 58 . ca . 58 . c parsed_1i6f 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 58 . c . 59 . n . 59 . ca . 59 . c parsed_1i6f 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.0 -1.0 . . 2 . n . 2 . ca . 2 . cb . 2 . cg parsed_1i6f 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.0 -1.0 . . 4 . n . 4 . ca . 4 . cb . 4 . cg parsed_1i6f 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.0 239.0 . . 6 . n . 6 . ca . 6 . cb . 6 . hb parsed_1i6f 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1.0 119.0 . . 7 . n . 7 . ca . 7 . cb . 7 . cg parsed_1i6f 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1.0 119.0 . . 8 . n . 8 . ca . 8 . cb . 8 . og parsed_1i6f 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.0 -1.0 . . 11 . n . 11 . ca . 11 . cb . 11 . sg parsed_1i6f 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.0 -1.0 . . 12 . n . 12 . ca . 12 . cb . 12 . cg parsed_1i6f 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.0 -1.0 . . 14 . n . 14 . ca . 14 . cb . 14 . og parsed_1i6f 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1.0 119.0 . . 15 . n . 15 . ca . 15 . cb . 15 . sg parsed_1i6f 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.0 -1.0 . . 16 . n . 16 . ca . 16 . cb . 16 . hb parsed_1i6f 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.0 -1.0 . . 18 . n . 18 . ca . 18 . cb . 18 . cg parsed_1i6f 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1.0 119.0 . . 19 . n . 19 . ca . 19 . cb . 19 . cg parsed_1i6f 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.0 239.0 . . 20 . n . 20 . ca . 20 . cb . 20 . cg parsed_1i6f 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.0 -1.0 . . 21 . n . 21 . ca . 21 . cb . 21 . sg parsed_1i6f 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.0 239.0 . . 22 . n . 22 . ca . 22 . cb . 22 . cg parsed_1i6f 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1.0 119.0 . . 23 . n . 23 . ca . 23 . cb . 23 . cg parsed_1i6f 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.0 -1.0 . . 25 . n . 25 . ca . 25 . cb . 25 . sg parsed_1i6f 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.0 -1.0 . . 27 . n . 27 . ca . 27 . cb . 27 . cg parsed_1i6f 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1.0 119.0 . . 34 . n . 34 . ca . 34 . cb . 34 . cg parsed_1i6f 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.0 239.0 . . 35 . n . 35 . ca . 35 . cb . 35 . sg parsed_1i6f 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 0.0 . . 36 . n . 36 . ca . 36 . cb . 36 . cg parsed_1i6f 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.0 -1.0 . . 39 . n . 39 . ca . 39 . cb . 39 . og parsed_1i6f 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.0 239.0 . . 40 . n . 40 . ca . 40 . cb . 40 . sg parsed_1i6f 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.0 239.0 . . 41 . n . 41 . ca . 41 . cb . 41 . cg parsed_1i6f 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.0 -1.0 . . 42 . n . 42 . ca . 42 . cb . 42 . sg parsed_1i6f 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1.0 119.0 . . 48 . n . 48 . ca . 48 . cb . 48 . cg parsed_1i6f 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.0 239.0 . . 51 . n . 51 . ca . 51 . cb . 51 . hb parsed_1i6f 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.0 239.0 . . 52 . n . 52 . ca . 52 . cb . 52 . og parsed_1i6f 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1.0 119.0 . . 53 . n . 53 . ca . 53 . cb . 53 . cg parsed_1i6f 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1.0 119.0 . . 54 . n . 54 . ca . 54 . cb . 54 . og parsed_1i6f 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.0 185.0 . . 4 . ca . 4 . c . 5 . n . 5 . ca parsed_1i6f 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 175.0 185.0 . . 45 . ca . 45 . c . 46 . n . 46 . ca parsed_1i6f 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 !Asp-2 2 1 2 8 parsed_1i6f 1
2 "! Y4 J=8.1" 5 1 5 13 parsed_1i6f 1
3 "! V6 J=10.5" 8 1 8 13 parsed_1i6f 1
4 "! D7 J=8.5 mjj" 11 1 11 16 parsed_1i6f 1
5 "! S8 J=4.5" 14 1 14 12 parsed_1i6f 1
6 "! K9 J=9.1" 17 1 17 12 parsed_1i6f 1
7 "! C11 J=8.5)" 20 1 20 14 parsed_1i6f 1
8
;
! K12 no cosy peaks 7.2 Hz from tocsy
! L13 J=8.5 mjj
;
23 1 24 17 parsed_1i6f 1
9 "! S14 no cosy 6.0 Hz from noesy" 27 1 27 33 parsed_1i6f 1
10 "! C15 no cosy 10.5 HZ from tocsy" 30 1 30 34 parsed_1i6f 1
11 "! V16 J=10.4" 33 1 33 14 parsed_1i6f 1
12 "! A17 J=8.4 mjj" 36 1 36 17 parsed_1i6f 1
13 "! N18 J=5.6" 39 1 39 13 parsed_1i6f 1
14 "! N19 J=6.0" 42 1 42 13 parsed_1i6f 1
15 "! Y20 J=4.8" 45 1 45 13 parsed_1i6f 1
16
;
! C21 no cosy
! D22
;
48 1 49 8 parsed_1i6f 1
17 "! N23" 52 1 52 7 parsed_1i6f 1
18 "! Q24 4.5 Hz from noesy" 55 1 55 25 parsed_1i6f 1
19 "! C25 J=6.0" 58 1 58 15 parsed_1i6f 1
20 "! M27 J=6.3" 61 1 61 14 parsed_1i6f 1
21 "! K28 J=8.5" 64 1 64 15 parsed_1i6f 1
22
;
! K29 J=7.1
! A30 9 Hz
;
67 1 68 12 parsed_1i6f 1
23 "! S31 7.2 Hz 9.0 from tocsy" 71 1 71 29 parsed_1i6f 1
24
;
! M34 no cosy
! C35 no cosy 10.5 Hz from tocsy
;
74 1 75 34 parsed_1i6f 1
25 "! Y36 no cosy 10.0 Hz from tocsy" 78 1 78 34 parsed_1i6f 1
26 "! A37 J=6.8" 81 1 81 15 parsed_1i6f 1
27 "! M38 no cosy" 84 1 84 15 parsed_1i6f 1
28 "! S39 J=8.6" 87 1 87 13 parsed_1i6f 1
29
;
! C40 no cosy no tocsy
! Y41 no cosy 11.5 Hz from tocsy
;
90 1 91 34 parsed_1i6f 1
30 "! C42 12 Hz" 94 1 94 13 parsed_1i6f 1
31
;
! E43 no cosy
! L45 J=6.5
;
97 1 98 15 parsed_1i6f 1
32 "! E47 4.0 Hz" 101 1 101 14 parsed_1i6f 1
33 "! N48 J=7.7 10.5 From tocsy" 104 1 104 29 parsed_1i6f 1
34
;
! for 04mar98 *s*sak* remove phi for 49 to 53
! A49 J=4.9
;
107 1 108 13 parsed_1i6f 1
35 "! K50 J=6.7, 8.5 from tocsy" 111 1 111 29 parsed_1i6f 1
36 "! V51 J=10.2" 114 1 114 14 parsed_1i6f 1
37 "! S52 J=6.6" 117 1 117 13 parsed_1i6f 1
38 "! D53 J=8.4" 120 1 120 13 parsed_1i6f 1
39
;
! S54 J=7.0 8.0 from tocsy
! for v5a9l_sak remove phi for S54
;
123 1 124 36 parsed_1i6f 1
40 "! A55 J=6.1 6.5 from tocsy" 127 1 127 28 parsed_1i6f 1
41 "! T56 J=6.5 8.5 from tocsy" 130 1 130 28 parsed_1i6f 1
42 "! N57 J=7.7" 133 1 133 15 parsed_1i6f 1
43 "! I58, J=8.0" 136 1 136 16 parsed_1i6f 1
44 "! C59 no cosy" 139 1 139 15 parsed_1i6f 1
45
;
! Chi angle constraints (not edited 21July97)
! D2 t2g3 DF=B1
;
142 1 143 18 parsed_1i6f 1
46 "! Y4 t2g3 UF=B1" 146 1 146 19 parsed_1i6f 1
47 "! V6 t 11mar98 set to -g DF=HG1" 149 1 149 33 parsed_1i6f 1
48 "!D7 g2g3 UF=B1" 152 1 152 17 parsed_1i6f 1
49 "! S8 g2g3 UF= B1 [01may98]" 155 1 155 29 parsed_1i6f 1
50 "! C11 t2g3 UF=B1" 158 1 158 20 parsed_1i6f 1
51 "! K12 t2g3 DF=B1" 161 1 161 20 parsed_1i6f 1
52
;
! S14 (B2 ) g2g3 or t2g3 from noe pattern, set to 0 +/- 120 01may98
! 23apr99 set to t2g3
;
164 1 165 23 parsed_1i6f 1
53 "! C15 07apr98 set to g2g3, DF=B1" 168 1 168 34 parsed_1i6f 1
54 "! V16 g- apr98 UF=HG2" 171 1 171 23 parsed_1i6f 1
55 "! N18 t2g3 DF=B1" 174 1 174 19 parsed_1i6f 1
56 "! N19 g2g3 DF=B1" 177 1 177 20 parsed_1i6f 1
57 "! Y20 g2t3 UF=B1" 180 1 180 19 parsed_1i6f 1
58
;
! C21 g2t3 18mar97 set to -120 +/- 120
! 15apr98, g2t3 UF=B1
! set to t2g3 05jan99
;
183 1 185 23 parsed_1i6f 1
59 "! D22 g2t3 UF=B1" 188 1 188 18 parsed_1i6f 1
60 "! N23 g2g3 DF=B1" 191 1 191 20 parsed_1i6f 1
61 "! C25 t2g3 UF=B1" 194 1 194 19 parsed_1i6f 1
62 "! M27 t2g3" 197 1 197 13 parsed_1i6f 1
63
;
! S31 (B2 )
! assign (resid 31 and name n ) (resid 31 and name ca)
! (resid 31 and name cb) (resid 31 and name og) 1.0 180. 59.0 2
! H34 t2g3, DF=B1
! 18feb99 g2g3
;
200 1 204 20 parsed_1i6f 1
64 "! C35 g2t3, UF=B1" 207 1 207 26 parsed_1i6f 1
65
;
!Y36 g2t3 UF=B1 07apr98
! t2g3, 06jan99
;
210 1 211 18 parsed_1i6f 1
66 "! S39 t2g3 DF=B1" 214 1 214 19 parsed_1i6f 1
67 "! C40 g2t3 DF=B1" 217 1 217 20 parsed_1i6f 1
68 "!Y41 g2t3 UF=B1" 220 1 220 20 parsed_1i6f 1
69 "!C42 t2g3 DF=B1" 223 1 223 19 parsed_1i6f 1
70 "! N48 g2g3 UF=B1" 226 1 226 20 parsed_1i6f 1
71 "! V51 set to g- 10mar98 UF=HG1" 229 1 229 33 parsed_1i6f 1
72 "! S52 g2t3 UF=B1" 232 1 232 20 parsed_1i6f 1
73 "! D53 g2g3 DF=B1" 235 1 235 20 parsed_1i6f 1
74 "! S54 g2g3 DF=B1" 238 1 238 20 parsed_1i6f 1
75
;
! N57 g2g3 set UF=B1
! assign (resid 57 and name n ) (resid 57 and name ca)
! (resid 57 and name cb) (resid 57 and name cg) 1.0 60.0 59.0 2
! C59 ( B1 ) g2g3
! assign (resid 59 and name n ) (resid 59 and name ca)
! (resid 59 and name cb) (resid 59 and name sg) 1.0 60.0 59.0 2
! Proline omega angles;
! PRO 5
;
241 1 248 9 parsed_1i6f 1
76 "! PRO 46" 251 1 251 10 parsed_1i6f 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "Torsional angle constraints for CsE-v5" 1 1 1 38 parsed_1i6f 1
stop_
save_
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