NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)
image mrblock_id pdb_id bmrb_id cing stage program type
35093 1kx7 5304 cing 2-parsed STAR dihedral angle 

data_1kx7_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1kx7 
    _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_1kx7   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1kx7 
    _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   1kx7   "Master copy"    parsed_1kx7   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1kx7 
    _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   1kx7.mr   .   .   "MR format"     1    comment                  "Not applicable"    "Not applicable"    0   parsed_1kx7   1   
        1   1kx7.mr   .   .    n/a            2    comment                  "Not applicable"    "Not applicable"    0   parsed_1kx7   1   
        1   1kx7.mr   .   .    n/a            3   "chemical shift"          "Not applicable"    "format 3"          0   parsed_1kx7   1   
        1   1kx7.mr   .   .    n/a            4    comment                  "Not applicable"    "Not applicable"    0   parsed_1kx7   1   
        1   1kx7.mr   .   .    unknown        5   "chemical shift"          "Not applicable"    "Not applicable"    0   parsed_1kx7   1   
        1   1kx7.mr   .   .    n/a            6    comment                  "Not applicable"    "Not applicable"    0   parsed_1kx7   1   
        1   1kx7.mr   .   .    unknown        7    distance                  NOE                 simple             0   parsed_1kx7   1   
        1   1kx7.mr   .   .    n/a            8    comment                  "Not applicable"    "Not applicable"    0   parsed_1kx7   1   
        1   1kx7.mr   .   .    XPLOR/CNS      9   "dihedral angle"          "Not applicable"    "Not applicable"    0   parsed_1kx7   1   
        1   1kx7.mr   .   .   "MR format"    10   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_1kx7   1   
    stop_

save_


save_CNS/XPLOR_dihedral_9
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_1kx7 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            9 
    _Torsion_angle_constraint_list.Details            "Generated by Wattos" 

    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   
;
7	TYR	CHI1	
11	CYS	CHI1	-100.0	-20.0
26	HIS	CHI1	20.0	100.0
34	ARG	CHI1	-100.0	-20.0
37	LYS	CHI1	-100.0	-20.0
41	ASN	CHI1	-100.0	-20.0
42	LEU	CHI1	-100.0	-20.0
47	LYS	CHI1	20.0	100.0
51	ASN	CHI1	-100.0	-20.0
62	CYS	CHI1	-100.0	-20.0
64	ASP	CHI1	-100.0	-20.0
66	ASP	CHI1	-100.0	-20.0
76	LYS	CHI1	20.0	100.0
78	LYS	CHI1	20.0	100.0
-1	LEU	PHI	-145.0	-75.0
5	ALA	PHI	-150.0	-70.0
6	ILE	PHI	-150.0	-70.0
7	TYR	PHI	-150.0	-70.0
8	ASN	PHI	-150.0	-70.0
9	LYS	PHI	-150.0	-70.0
10	ALA	PHI	-125.0	-80.0
14	CYS	PHI	-125.0	-80.0
15	HEM	PHI	-145.0	-75.0
17	MET	PHI	-125.0	-80.0
26	HIS	PHI	-145.0	-75.0
29	ALA	PHI	-180.0	-40.0
30	ASP	PHI	-180.0	-40.0
31	TRP	PHI	-180.0	-40.0
32	GLU	PHI	-180.0	-40.0
34	ARG	PHI	-125.0	-80.0
35	LEU	PHI	-180.0	-40.0
44	LYS	PHI	-180.0	-40.0
45	SER	PHI	-180.0	-40.0
48	THR	PHI	-145.0	-75.0
53	MET	PHI	-145.0	-75.0
59	CYS	PHI	-125.0	-80.0
61	ASP	PHI	-125.0	-80.0
63	THR	PHI	-125.0	-80.0
66	ASP	PHI	-145.0	-75.0
67	TYR	PHI	-180.0	-40.0
68	LYS	PHI	-180.0	-40.0
69	ALA	PHI	-180.0	-40.0
71	ILE	PHI	-180.0	-40.0
72	GLU	PHI	-180.0	-40.0
73	PHE	PHI	-180.0	-40.0
78	LYS	PHI	-145.0	-75.0
4	GLU	PSI	-70.0	-10.0
5	ALA	PSI	-70.0	-10.0
6	ILE	PSI	-70.0	-10.0
7	TYR	PSI	-70.0	-10.0
8	ASN	PSI	-70.0	-10.0
9	LYS	PSI	-70.0	-10.0
29	ALA	PSI	-70.0	-10.0
30	ASP	PSI	-70.0	-10.0
31	TRP	PSI	-70.0	-10.0
34	ARG	PSI	-70.0	-10.0
43	VAL	PSI	-70.0	-10.0
44	LYS	PSI	-70.0	-10.0
47	LYS	PSI	-70.0	-10.0
65	GLU	PSI	-70.0	-10.0
66	ASP	PSI	-70.0	-10.0
67	TYR	PSI	-70.0	-10.0
68	LYS	PSI	-70.0	-10.0
;
   1   1   63   37   parsed_1kx7   1   
    stop_

save_

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Contact the webmaster for help, if required. Wednesday, June 26, 2024 1:29:31 AM GMT (wattos1)