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
	628592	6civ	30414	cing	2-parsed	STAR	dihedral angle

data_6civ_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_6civ 
    _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_6civ   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_6civ 
    _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   6civ   "Master copy"    parsed_6civ   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_6civ 
    _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   6civ.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"    0   parsed_6civ   1   
        1   6civ.mr   .   .    XPLOR/CNS     2   "dihedral angle"          "Not applicable"    "Not applicable"    0   parsed_6civ   1   
        1   6civ.mr   .   .    XPLOR/CNS     3    distance                  NOE                 ambi               0   parsed_6civ   1   
        1   6civ.mr   .   .    XPLOR/CNS     4    distance                 "hydrogen bond"      simple             0   parsed_6civ   1   
        1   6civ.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_6civ   1   
    stop_

save_


save_CNS/XPLOR_dihedral_2
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_6civ 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            2 
    _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   "# Restraints file 1: ACR2_scalar_restraints.tbl"     1   1    1   47   parsed_6civ   1   
        2   
;
assign (resid 147 and name C ) (resid 148 and name N ) 
    (resid 148 and name CA) (resid 148 and name C )  6.372   2
    
;
    2   1    4    4   parsed_6civ   1   
        3   
;
assign (resid 148 and name C ) (resid 149 and name N ) 
    (resid 149 and name CA) (resid 149 and name C )  5.790   2
    
;
    5   1    7    4   parsed_6civ   1   
        4   
;
assign (resid 149 and name C ) (resid 150 and name N ) 
    (resid 150 and name CA) (resid 150 and name C )  7.890   2
    
;
    8   1   10    4   parsed_6civ   1   
        5   
;
assign (resid 150 and name C ) (resid 151 and name N ) 
    (resid 151 and name CA) (resid 151 and name C )  6.726   2
    
;
   11   1   13    4   parsed_6civ   1   
    stop_

save_

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