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
30285 1cb3 4483 cing 2-parsed STAR comment 

data_1cb3_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1cb3 
    _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_1cb3   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1cb3 
    _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   1cb3   "Master copy"    parsed_1cb3   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1cb3 
    _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   1cb3.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"    0   parsed_1cb3   1   
        1   1cb3.mr   .   .    XPLOR/CNS     2   "dihedral angle"          "Not applicable"    "Not applicable"    0   parsed_1cb3   1   
        1   1cb3.mr   .   .    n/a           3    comment                  "Not applicable"    "Not applicable"    0   parsed_1cb3   1   
        1   1cb3.mr   .   .    XPLOR/CNS     4    distance                  NOE                 simple             0   parsed_1cb3   1   
        1   1cb3.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_1cb3   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_1cb3 
    _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    MOLTEN GLOBULE STATE                    26-FEB-99   1CB3              
*TITLE     LOCAL INTERACTIONS DRIVE THE FORMATION OF NON-NATIVE                  
*TITLE    2 STRUCTURE IN THE DENATURED STATE OF HUMAN ALPHA-                     
*TITLE    3 LACTALBUMIN: A HIGH RESOLUTION STRUCTURAL CHARACTERIZATION           
*TITLE    4 OF A PEPTIDE MODEL IN AQUEOUS SOLUTION                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: LCA;                                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MUTATION: C11A;                                                      
*COMPND   6 BIOLOGICAL_UNIT: MONOMER;                                            
*COMPND   7 OTHER_DETAILS: ACETYLATED N-TERMINUS AMIDATED C-TERMINUS             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE           
*SOURCE   4 SEQUENCE OF THIS PEPTIDE IS NATURALLY FOUND IN HOMO                  
*SOURCE   5 SAPIENS (HUMAN).                                                     
*KEYWDS    MOLTEN GLOBULE STATE, PROTEIN FOLDING, NON-NATIVE                     
*KEYWDS   2 INTERACTIONS, ALPHA- LACTALBUMIN                                     
*EXPDTA    NMR                                                                   
*AUTHOR    S.J.DEMAREST, Y.HUA, D.P.RALEIGH                                      
*REVDAT   1   08-JUN-99 1CB3    0                                                
restraints 
  dihedral
   
    reset

    nassign=20

;

save_

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