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
513195 2lbm 17569 cing 2-parsed STAR comment 

data_2lbm_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2lbm 
    _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_2lbm   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2lbm 
    _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   2lbm   "Master copy"    parsed_2lbm   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2lbm 
    _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   2lbm.mr   .   .   "MR format"     1    comment                  "Not applicable"    "Not applicable"       0   parsed_2lbm   1   
        1   2lbm.mr   .   .    XPLOR/CNS      2   "dihedral angle"          "Not applicable"    "Not applicable"      30   parsed_2lbm   1   
        1   2lbm.mr   .   .    XPLOR/CNS      3    distance                 "hydrogen bond"      simple               36   parsed_2lbm   1   
        1   2lbm.mr   .   .    XPLOR/CNS      4    distance                  NOE                 simple               28   parsed_2lbm   1   
        1   2lbm.mr   .   .    XPLOR/CNS      5    distance                 "hydrogen bond"      simple                2   parsed_2lbm   1   
        1   2lbm.mr   .   .    XPLOR/CNS      6    distance                  NOE                 simple                7   parsed_2lbm   1   
        1   2lbm.mr   .   .    XPLOR/CNS      7    distance                 "hydrogen bond"      ambi                  2   parsed_2lbm   1   
        1   2lbm.mr   .   .    XPLOR/CNS      8    distance                  NOE                 simple             1550   parsed_2lbm   1   
        1   2lbm.mr   .   .    n/a            9    comment                  "Not applicable"    "Not applicable"       0   parsed_2lbm   1   
        1   2lbm.mr   .   .    XPLOR/CNS     10    distance                 "disulfide bond"     simple                0   parsed_2lbm   1   
        1   2lbm.mr   .   .   "MR format"    11   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_2lbm   1   
    stop_

save_


save_MR_file_comment_9
    _Org_constr_file_comment.Sf_category         org_constr_file_comment 
    _Org_constr_file_comment.Entry_ID            parsed_2lbm 
    _Org_constr_file_comment.ID                  1 
    _Org_constr_file_comment.Constraint_file_ID  1 
    _Org_constr_file_comment.Block_ID            9 
    _Org_constr_file_comment.Details            "Generated by Wattos" 
    _Org_constr_file_comment.Comment            
;
REMARK   5. INTER-ZINC LIGAND DISTANCE CONSTRAINTS
REMARK
REMARK    These are used to constrain the zinc-binding sidechains
REMARK    to approach each other in the early stages of the protocol,
REMARK    before the zinc atom and connectivities have been defined.
REMARK


;

save_

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