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 subtype
35462 1lms 5466 cing 2-parsed STAR entry full 

data_1lms_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1lms 
    _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_1lms   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1lms 
    _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   1lms   "Master copy"    parsed_1lms   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1lms 
    _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   1lms.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"    0   parsed_1lms   1   
        1   1lms.mr   .   .    n/a           2    comment                  "Not applicable"    "Not applicable"    0   parsed_1lms   1   
        1   1lms.mr   .   .    unknown       3    distance                  NOE                 simple             0   parsed_1lms   1   
        1   1lms.mr   .   .   "MR format"    4   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_1lms   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_1lms 
    _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    ELECTRON TRANSPORT                      02-MAY-02   1LMS              
*TITLE     STRUCTURAL MODEL FOR AN ALKALINE FORM OF FERRICYTOCHROME C            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYTOCHROME C, ISO-1;                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;                       
*SOURCE   3 ORGANISM_COMMON: YEAST;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA                                   
*KEYWDS    ALKALINE TRANSITION; CYTOCHROME C; NMR STRUCTURE                      
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    M.ASSFALG, I.BERTINI, A.DOLFI, P.TURANO, A.G.MAUK,                    
*AUTHOR   2 F.I.ROSELL, H.B.GRAY                                                 
*REVDAT   1   18-MAR-03 1LMS    0                                                
;

save_


save_MR_file_comment_2
    _Org_constr_file_comment.Sf_category         org_constr_file_comment 
    _Org_constr_file_comment.Entry_ID            parsed_1lms 
    _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            
;
Experimental NOESY cross peak intensities (last column) and corresponding upper distance limits (3rd column, ?). 
The nomenclature of the atoms is that used by the program DYANA (J Mol Biol. 1997 Oct 17;273(1):283-98). 
The heme is called HEC 18, and this residue includes atoms from both the heme and the proximal ligand histine. 
The reported volumes of cross-peaks involving pseudoatoms correspond to the measured volumes divided by the 
number of atoms represented by the pseudoatom (a symbol *2 or *4 is present in these cases).

  Atom 1		Atom 2		upl	volume		

;

save_

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