NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)
image mrblock_id pdb_id bmrb_id cing in_recoord stage program type
30240 1c49 4760 cing recoord 2-parsed STAR comment 

data_1c49_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1c49 
    _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_1c49   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1c49 
    _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   1c49   "Master copy"    parsed_1c49   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1c49 
    _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   1c49.mr   .   .   "MR format"     1    comment                  "Not applicable"    "Not applicable"      0   parsed_1c49   1   
        1   1c49.mr   .   .    XPLOR/CNS      2    distance                  NOE                 simple             281   parsed_1c49   1   
        1   1c49.mr   .   .    n/a            3    comment                  "Not applicable"    "Not applicable"      0   parsed_1c49   1   
        1   1c49.mr   .   .    XPLOR/CNS      4    distance                  NOE                 simple             144   parsed_1c49   1   
        1   1c49.mr   .   .    n/a            5    comment                  "Not applicable"    "Not applicable"      0   parsed_1c49   1   
        1   1c49.mr   .   .    XPLOR/CNS      6    distance                 "hydrogen bond"      simple              22   parsed_1c49   1   
        1   1c49.mr   .   .    n/a            7    comment                  "Not applicable"    "Not applicable"      0   parsed_1c49   1   
        1   1c49.mr   .   .    XPLOR/CNS      8   "dihedral angle"          "Not applicable"    "Not applicable"     11   parsed_1c49   1   
        1   1c49.mr   .   .    n/a            9    comment                  "Not applicable"    "Not applicable"      0   parsed_1c49   1   
        1   1c49.mr   .   .    XPLOR/CNS     10   "dihedral angle"          "Not applicable"    "Not applicable"      0   parsed_1c49   1   
        1   1c49.mr   .   .    n/a           11    comment                  "Not applicable"    "Not applicable"      0   parsed_1c49   1   
        1   1c49.mr   .   .   "MR format"    12   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_1c49   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_1c49 
    _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            
;
remarks ---------------------------------------------------------
remarks Restrain phi angle according to coupling constant
remarks J < 5.75 is -60 +- 20 deg
remarks J > 7.5  is -120 +- 30 deg
remarks 5.75 > J > 7.5  is 60 +- 150 deg


;

save_

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