NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)
image mrblock_id pdb_id cing stage program type
29054 1agt cing 2-parsed STAR comment 

data_1agt_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1agt 
    _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_1agt   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1agt 
    _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   1agt   "Master copy"    parsed_1agt   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1agt 
    _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   1agt.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"    0   parsed_1agt   1   
        1   1agt.mr   .   .    DISCOVER      2    stereochemistry           chirality          "Not applicable"    0   parsed_1agt   1   
        1   1agt.mr   .   .    DISCOVER      3    distance                 "hydrogen bond"      simple             0   parsed_1agt   1   
        1   1agt.mr   .   .    DISCOVER      4    distance                  NOE                 simple             0   parsed_1agt   1   
        1   1agt.mr   .   .    DISCOVER      5   "dihedral angle"          "Not applicable"    "Not applicable"    0   parsed_1agt   1   
        1   1agt.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_1agt   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_1agt 
    _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   NEUROTOXIN                              14-APR-95   1AGT    
*COMPND   AGITOXIN 2 (NMR, 17 STRUCTURES)                             
*SOURCE   MOLECULE: AGITOXIN 2;                                       
*SOURCE  2 ORGANISM_SCIENTIFIC: LEIURUS QUINQUESTRIATUS HEBRAEUS;     
*SOURCE  3 ORGANISM_COMMON: SCORPION;                                 
*SOURCE  4 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);             
*SOURCE  5 EXPRESSION_SYSTEM_PLASMID: PCSP105;                        
*SOURCE  6 EXPRESSION_SYSTEM_GENE: AGTX2                              
*KEYWDS   POTASSIUM CHANNEL BLOCKER                                   
*EXPDTA   NMR, 17 STRUCTURES                                          
*AUTHOR   A.M.KREZEL,C.KASIBHATLA,P.HIDALGO,R.MACKINNON,G.WAGNER      
*REVDAT  1   10-JUL-95 1AGT    0                                      

#REVDAT   1   21-FEB-95         0                                                
#restraints for Agitoxin 2
#used with NMRachitect (Biosym 2.3.0)
#options used: correct floats and add corrections
#stereospecific constraints contain letters S or R
!BIOSYM restraint 1
!
;

save_

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