NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | item_count |
|
|
36541 |
1nrb   |
4043 | cing | recoord | 2-parsed | STAR | dihedral angle | 75 |
data_1nrb_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1nrb
_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_1nrb 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1nrb
_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 1nrb "Master copy" parsed_1nrb
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1nrb
_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 1nrb.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1nrb 1
1 1nrb.mr . . XPLOR/CNS 2 distance NOE simple 894 parsed_1nrb 1
1 1nrb.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 66 parsed_1nrb 1
1 1nrb.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 75 parsed_1nrb 1
1 1nrb.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1nrb 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1nrb
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 1 . c . 2 . n . 2 . ca . 2 . c parsed_1nrb 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_1nrb 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_1nrb 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_1nrb 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_1nrb 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_1nrb 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 45.0 95.0 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_1nrb 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_1nrb 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_1nrb 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_1nrb 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_1nrb 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_1nrb 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_1nrb 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_1nrb 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 18 . c . 19 . n . 19 . ca . 19 . c parsed_1nrb 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_1nrb 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_1nrb 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_1nrb 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_1nrb 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_1nrb 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_1nrb 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_1nrb 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 26 . c . 27 . n . 27 . ca . 27 . c parsed_1nrb 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_1nrb 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_1nrb 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_1nrb 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_1nrb 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 31 . c . 32 . n . 32 . ca . 32 . c parsed_1nrb 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_1nrb 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_1nrb 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_1nrb 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_1nrb 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 41 . c . 42 . n . 42 . ca . 42 . c parsed_1nrb 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 42 . c . 43 . n . 43 . ca . 43 . c parsed_1nrb 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 43 . c . 44 . n . 44 . ca . 44 . c parsed_1nrb 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 44 . c . 45 . n . 45 . ca . 45 . c parsed_1nrb 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 45 . c . 46 . n . 46 . ca . 46 . c parsed_1nrb 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 47 . c . 48 . n . 48 . ca . 48 . c parsed_1nrb 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 49 . c . 50 . n . 50 . ca . 50 . c parsed_1nrb 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 50 . c . 51 . n . 51 . ca . 51 . c parsed_1nrb 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 53 . c . 54 . n . 54 . ca . 54 . c parsed_1nrb 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 54 . c . 55 . n . 55 . ca . 55 . c parsed_1nrb 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 58 . c . 59 . n . 59 . ca . 59 . c parsed_1nrb 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 60 . c . 61 . n . 61 . ca . 61 . c parsed_1nrb 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 3 . n . 3 . ca . 3 . cb . 3 . cg parsed_1nrb 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 7 . n . 7 . ca . 7 . cb . 7 . cg1 parsed_1nrb 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 8 . n . 8 . ca . 8 . cb . 8 . cg parsed_1nrb 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 9 . n . 9 . ca . 9 . cb . 9 . og parsed_1nrb 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 11 . n . 11 . ca . 11 . cb . 11 . cg parsed_1nrb 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 12 . n . 12 . ca . 12 . cb . 12 . sg parsed_1nrb 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 14 . n . 14 . ca . 14 . cb . 14 . cg parsed_1nrb 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 16 . n . 16 . ca . 16 . cb . 16 . sg parsed_1nrb 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 19 . n . 19 . ca . 19 . cb . 19 . cg parsed_1nrb 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 20 . n . 20 . ca . 20 . cb . 20 . cg parsed_1nrb 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 21 . n . 21 . ca . 21 . cb . 21 . cg parsed_1nrb 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 22 . n . 22 . ca . 22 . cb . 22 . sg parsed_1nrb 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 23 . n . 23 . ca . 23 . cb . 23 . cg parsed_1nrb 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 24 . n . 24 . ca . 24 . cb . 24 . cg parsed_1nrb 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 26 . n . 26 . ca . 26 . cb . 26 . sg parsed_1nrb 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 32 . n . 32 . ca . 32 . cb . 32 . cg parsed_1nrb 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 35 . n . 35 . ca . 35 . cb . 35 . cg parsed_1nrb 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 36 . n . 36 . ca . 36 . cb . 36 . sg parsed_1nrb 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 37 . n . 37 . ca . 37 . cb . 37 . cg parsed_1nrb 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 38 . n . 38 . ca . 38 . cb . 38 . cg parsed_1nrb 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 42 . n . 42 . ca . 42 . cb . 42 . og parsed_1nrb 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 43 . n . 43 . ca . 43 . cb . 43 . sg parsed_1nrb 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 44 . n . 44 . ca . 44 . cb . 44 . cg parsed_1nrb 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 45 . n . 45 . ca . 45 . cb . 45 . sg parsed_1nrb 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 46 . n . 46 . ca . 46 . cb . 46 . cg parsed_1nrb 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 50 . n . 50 . ca . 50 . cb . 50 . cg parsed_1nrb 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 51 . n . 51 . ca . 51 . cb . 51 . cg parsed_1nrb 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 52 . n . 52 . ca . 52 . cb . 52 . og parsed_1nrb 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 57 . n . 57 . ca . 57 . cb . 57 . og parsed_1nrb 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 60 . n . 60 . ca . 60 . cb . 60 . sg parsed_1nrb 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 61 . n . 61 . ca . 61 . cb . 61 . sg parsed_1nrb 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
;
! CsE-V dihedral angle constraints
! LYS 2
;
1 1 2 10 parsed_1nrb 1
2 "! ASP 3" 5 1 5 9 parsed_1nrb 1
3 "! TYR 5" 8 1 8 11 parsed_1nrb 1
4 "! VAL 7" 11 1 11 10 parsed_1nrb 1
5 "! ASP 8" 14 1 14 10 parsed_1nrb 1
6 "! SER 9" 17 1 17 10 parsed_1nrb 1
7 "! ASN 11" 20 1 20 10 parsed_1nrb 1
8 "! CYS 12" 23 1 23 10 parsed_1nrb 1
9 "! LYS 13" 26 1 26 10 parsed_1nrb 1
10 "! TYR 14" 29 1 29 10 parsed_1nrb 1
11 "! GLU 15" 32 1 32 11 parsed_1nrb 1
12 "! CYS 16" 35 1 35 10 parsed_1nrb 1
13 "! LEU 17" 38 1 38 11 parsed_1nrb 1
14 "! LYS 18" 41 1 41 10 parsed_1nrb 1
15 "! ASP 19" 44 1 44 11 parsed_1nrb 1
16 "! ASP 20" 47 1 47 11 parsed_1nrb 1
17 "! TYR 21" 50 1 50 10 parsed_1nrb 1
18 "! CYS 22" 53 1 53 11 parsed_1nrb 1
19 "! ASN 23" 56 1 56 11 parsed_1nrb 1
20 "! ASP 24" 59 1 59 11 parsed_1nrb 1
21 "! LEU 25" 62 1 62 10 parsed_1nrb 1
22 "! CYS 26" 65 1 65 11 parsed_1nrb 1
23 "! LEU 27" 68 1 68 10 parsed_1nrb 1
24 "! GLU 28" 71 1 71 10 parsed_1nrb 1
25 "! ARG 29" 74 1 74 10 parsed_1nrb 1
26 "! LYS 30" 77 1 77 10 parsed_1nrb 1
27 "! ALA 31" 80 1 80 10 parsed_1nrb 1
28 "! ASP 32" 83 1 83 10 parsed_1nrb 1
29 "! LYS 33" 86 1 86 10 parsed_1nrb 1
30 "! TYR 35" 89 1 89 10 parsed_1nrb 1
31 "! CYS 36" 92 1 92 10 parsed_1nrb 1
32 "! TRP 38" 95 1 95 10 parsed_1nrb 1
33 "! SER 42" 98 1 98 10 parsed_1nrb 1
34 "! CYS 43" 101 1 101 10 parsed_1nrb 1
35 "! TYR 44" 104 1 104 10 parsed_1nrb 1
36 "! CYS 45" 107 1 107 10 parsed_1nrb 1
37 "! TYR 46" 110 1 110 10 parsed_1nrb 1
38 "! LEU 48" 113 1 113 11 parsed_1nrb 1
39 "! ASP 50" 116 1 116 11 parsed_1nrb 1
40 "! ASN 51" 119 1 119 10 parsed_1nrb 1
41 "! THR 54" 122 1 122 10 parsed_1nrb 1
42 "! LYS 55" 125 1 125 10 parsed_1nrb 1
43 "! LYS 59" 128 1 128 10 parsed_1nrb 1
44 "! ASN 61" 131 1 131 10 parsed_1nrb 1
45
;
! Chi angle constraints
! ASP 3 t2g3
;
134 1 135 18 parsed_1nrb 1
46 "! VAL 7 trans G1 is upfield." 138 1 138 32 parsed_1nrb 1
47 "! ASP 8 g2g3 +60" 141 1 141 19 parsed_1nrb 1
48 "! SER 9 g2g3 +60" 144 1 144 18 parsed_1nrb 1
49 "! ASN 11" 147 1 147 11 parsed_1nrb 1
50 "! CYS 12" 150 1 150 11 parsed_1nrb 1
51 "! TYR 14 t2g3" 153 1 153 16 parsed_1nrb 1
52 "! CYS 16" 156 1 156 11 parsed_1nrb 1
53 "! ASP 19 g2t3" 159 1 159 16 parsed_1nrb 1
54 "! ASP 20 g2g3" 162 1 162 17 parsed_1nrb 1
55 "! TYR 21 g2t3" 165 1 165 16 parsed_1nrb 1
56 "! CYS 22 t2g3" 168 1 168 15 parsed_1nrb 1
57 "! ASN 23 g2t3 180" 171 1 171 19 parsed_1nrb 1
58 "! ASP 24 g2t3 180" 174 1 174 19 parsed_1nrb 1
59 "! CYS 26 g2t3 180" 177 1 177 20 parsed_1nrb 1
60 "! ASP 32 g2t3 180" 180 1 180 19 parsed_1nrb 1
61 "! TYR 35 g2g3 +60" 183 1 183 19 parsed_1nrb 1
62 "! CYS 36 g2t3 180" 186 1 186 19 parsed_1nrb 1
63 "! TYR 37" 189 1 189 11 parsed_1nrb 1
64 "! TRP 38" 192 1 192 11 parsed_1nrb 1
65 "! SER 42" 195 1 195 11 parsed_1nrb 1
66 "! CYS 43" 198 1 198 11 parsed_1nrb 1
67 "! TYR 44" 201 1 201 11 parsed_1nrb 1
68 "! CYS 45" 204 1 204 11 parsed_1nrb 1
69 "! TYR 46 t2g3 12sep94" 207 1 207 24 parsed_1nrb 1
70 "! ASP 50" 210 1 210 10 parsed_1nrb 1
71 "! ASN 51 g2g3 +60" 213 1 213 19 parsed_1nrb 1
72 "! SER 52 g2t3 180" 216 1 216 19 parsed_1nrb 1
73 "! SER 57 g2g3" 219 1 219 15 parsed_1nrb 1
74 "! CYS 60 g2t3" 222 1 222 15 parsed_1nrb 1
75 "! ASN 61" 225 1 225 11 parsed_1nrb 1
stop_
save_
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