NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage program type subtype
28995 1ael cing 2-parsed STAR entry full


data_1ael_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1ael 
    _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_1ael   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1ael 
    _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   1ael   "Master copy"    parsed_1ael   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1ael 
    _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   1ael.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"    0   parsed_1ael   1   
        1   1ael.mr   .   .    n/a           2    comment                  "Not applicable"    "Not applicable"    0   parsed_1ael   1   
        1   1ael.mr   .   .    TINKER        3   "dihedral angle"          "Not applicable"    "Not applicable"    0   parsed_1ael   1   
        1   1ael.mr   .   .    n/a           4    comment                  "Not applicable"    "Not applicable"    0   parsed_1ael   1   
        1   1ael.mr   .   .    TINKER        5   "dihedral angle"          "Not applicable"    "Not applicable"    0   parsed_1ael   1   
        1   1ael.mr   .   .    TINKER        6    distance                  NOE                 simple             0   parsed_1ael   1   
        1   1ael.mr   .   .   "MR format"    7   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_1ael   1   
    stop_

save_


save_MR_file_comment_1
    _Org_constr_file_comment.Sf_category         org_constr_file_comment 
    _Org_constr_file_comment.Entry_ID            parsed_1ael 
    _Org_constr_file_comment.ID                  1 
    _Org_constr_file_comment.Constraint_file_ID  1 
    _Org_constr_file_comment.Block_ID            1 
    _Org_constr_file_comment.Details            "Generated by Wattos" 
    _Org_constr_file_comment.Comment            
;
*HEADER   LIPID-BINDING PROTEIN                   30-JUL-96   1AEL    
*TITLE    NMR STRUCTURE OF APO INTESTINAL FATTY ACID-BINDING PROTEIN, 
*TITLE   2 20 STRUCTURES                                              
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: FATTY ACID-BINDING PROTEIN;                      
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 SYNONYM: IFABP, I-FABP;                                    
*COMPND  5 ENGINEERED: YES;                                           
*COMPND  6 OTHER_DETAILS: INTESTINAL                                  
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS;                    
*SOURCE  3 ORGANISM_COMMON: RAT;                                      
*SOURCE  4 CELL: SMALL INTESTINAL ENTEROCYTE;                         
*SOURCE  5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  6 EXPRESSION_SYSTEM_STRAIN: MG1655;                          
*SOURCE  7 EXPRESSION_SYSTEM_PLASMID: PMON5840-I-FABP                 
*KEYWDS   FATTY ACID-BINDING PROTEIN, LIPID TRANSPORT, I-FABP,        
*KEYWDS  2 LIPID-BINDING PROTEIN                                      
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   M.E.HODSDON,D.P.CISTOLA                                     
*REVDAT  1   01-APR-97 1AEL    0                                      

;

save_


save_MR_file_comment_2
    _Org_constr_file_comment.Sf_category         org_constr_file_comment 
    _Org_constr_file_comment.Entry_ID            parsed_1ael 
    _Org_constr_file_comment.ID                  2 
    _Org_constr_file_comment.Constraint_file_ID  1 
    _Org_constr_file_comment.Block_ID            2 
    _Org_constr_file_comment.Details            "Generated by Wattos" 
    _Org_constr_file_comment.Comment            
;
5) apoifabpNMR.key - TINKER "KEY" file containing experimental restraints
----------------------------------------------------------------------------
parameters         /usr/people/hoggy/tinker/params/protein 
                   [used only to define covalent geometry]

verbose
#debug
#randomseed              313461000
trial-distance          pairwise 5
trial-distribution            0.61

#
;

save_


save_MR_file_comment_4
    _Org_constr_file_comment.Sf_category         org_constr_file_comment 
    _Org_constr_file_comment.Entry_ID            parsed_1ael 
    _Org_constr_file_comment.ID                  3 
    _Org_constr_file_comment.Constraint_file_ID  1 
    _Org_constr_file_comment.Block_ID            4 
    _Org_constr_file_comment.Details            "Generated by Wattos" 
    _Org_constr_file_comment.Comment            
;
# Constraints to Force Extended Secondary Structure
#

 [NONE]

#
;

save_





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