NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)
image mrblock_id pdb_id cing stage program type subtype
39745 1trl cing 2-parsed STAR entry full 

data_1trl_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1trl 
    _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_1trl   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1trl 
    _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   1trl   "Master copy"    parsed_1trl   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1trl 
    _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   1trl.mr   .   .   "MR format"    1    comment                  "Not applicable"      "Not applicable"    0   parsed_1trl   1   
        1   1trl.mr   .   .    n/a           2    comment                  "Not applicable"      "Not applicable"    0   parsed_1trl   1   
        1   1trl.mr   .   .    unknown       3    distance                 "general distance"     simple             0   parsed_1trl   1   
        1   1trl.mr   .   .   "MR format"    4   "nomenclature mapping"    "Not applicable"      "Not applicable"    0   parsed_1trl   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_1trl 
    _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    HYDROLASE (METALLOPROTEASE)             02-SEP-94   1TRL      
*COMPND    THERMOLYSIN FRAGMENT 255 - 316 (E.C.3.4.24.27)                
*COMPND   2 (NMR, 8 STRUCTURES)                                          
*SOURCE    (BACILLUS THERMOPROTEOLYTICUS)                                
*EXPDTA    NMR                                                           
*AUTHOR    M.RICO,M.A.JIMENEZ,C.GONZALEZ,V.DE FILIPPIS,A.FONTANA         
*REVDAT   1   12-OCT-04 1TRL    0   

;

save_


save_MR_file_comment_2
    _Org_constr_file_comment.Sf_category         org_constr_file_comment 
    _Org_constr_file_comment.Entry_ID            parsed_1trl 
    _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            
;
  Distance constraints used in the calculation of the solution structure
  of the fragment 255-316 of thermolisin (Rico et al., to be published)
  Characters in columns 10-40 indicate the atoms involved in the
  constraint (P means pseudoatoms for methylene groups. Methyl groups are
  represented by their carbon atom). The real numbers indicate the distance
  restraint in angstroms.

;

save_

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