NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)
image mrblock_id pdb_id cing stage program type
32429 1g1p cing 2-parsed STAR comment 

data_1g1p_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1g1p 
    _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_1g1p   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1g1p 
    _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   1g1p   "Master copy"    parsed_1g1p   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1g1p 
    _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   1g1p.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"    0   parsed_1g1p   1   
        1   1g1p.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             0   parsed_1g1p   1   
        1   1g1p.mr   .   .    XPLOR/CNS     3    distance                 "hydrogen bond"      simple             0   parsed_1g1p   1   
        1   1g1p.mr   .   .   "MR format"    4   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_1g1p   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_1g1p 
    _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    TOXIN                                   13-OCT-00   1G1P              
*TITLE     NMR STRUCTURES OF THE NOVEL CONOTOXIN EVIA FROM CONUS                 
*TITLE    2 ERMINEUS SPECIFIC OF THE MU1 SODIUM CHANNEL RECEPTOR, LEU12-         
*TITLE    3 PRO13 TRANS ISOMER                                                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CONOTOXIN EVIA;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 OTHER_DETAILS: THIS STRUCTURE IS IN EQUILIBRIUM WITH THE             
*COMPND   6 LEU12-PRO13 CIS ISOMER (1G1Z).                                       
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE SOLID PHASE SYNTHESIS OF CONOTOXIN EVIA           
*SOURCE   4 WAS CARRIED OUT USING THE F-MOC CHEMISTRY. THE SEQUENCE OF           
*SOURCE   5 THE PEPTIDE IS NATURALLY FOUND IN CONUS ERMINEUS (ATLANTIC           
*SOURCE   6 FISH-HUNTING CONE).                                                  
*KEYWDS    THREE DISULFIDE LINKAGES, CIS/TRANS ISOMERISM OF LEU12-               
*KEYWDS   2 PRO13 PEPTIDE BOND, HYDROXYPROLINE                                   
*EXPDTA    NMR, 18 STRUCTURES                                                    
*AUTHOR    L.VOLPON, H.LAMTHANH, F.LE GALL, A.MENEZ, J.M.LANCELIN                
*REVDAT   1   01-NOV-00 1G1P    0                                                
remarks   NOE restraints for Conotoxin EVIA
remarks   data from NOESY spectrum at 10C
remarks   r0      dlow      dhigh   for N-H
remarks   2.1      0.3        0.9   (1.8 - 3.0) noe fort
remarks   2.4      0.6        1.2   (1.8 - 3.6) noe moyen
remarks   2.9      1.1        2.4   (1.8 - 5.3) noe faible
remarks   2.9      1.1        3.4   (1.8 - 6.3) noe tres faible

remarks   r0      dlow      dhigh   for C-H
remarks   2.1      0.3        0.6   (1.8 - 2.7) strong noe
remarks   2.4      0.6        0.9   (1.8 - 3.3) medium noe
remarks   2.9      1.1        2.1   (1.8 - 5.0) weak noe
remarks   2.9      1.1        3.1   (1.8 - 6.0) very weak noe

remarks   1.0  added for noe involving methyl groups
remarks   1.0  added for noe involving CH2
remarks   2.0  added for noe involving aromatics hydrogens

remarks   NOE restraints for Asp1 residue
;

save_

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