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
	32867	1ha9	5176	cing	2-parsed	STAR	comment

data_1ha9_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1ha9 
    _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_1ha9   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1ha9 
    _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   1ha9   "Master copy"    parsed_1ha9   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1ha9 
    _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   1ha9.mr   .   .   "MR format"    1    comment                  "Not applicable"      "Not applicable"    0   parsed_1ha9   1   
        1   1ha9.mr   .   .    unknown       2    distance                 "general distance"     simple             0   parsed_1ha9   1   
        1   1ha9.mr   .   .    n/a           3    comment                  "Not applicable"      "Not applicable"    0   parsed_1ha9   1   
        1   1ha9.mr   .   .    unknown       4    distance                 "disulfide bond"       simple             0   parsed_1ha9   1   
        1   1ha9.mr   .   .    n/a           5    comment                  "Not applicable"      "Not applicable"    0   parsed_1ha9   1   
        1   1ha9.mr   .   .    unknown       6   "dihedral angle"          "Not applicable"      "Not applicable"    0   parsed_1ha9   1   
        1   1ha9.mr   .   .    n/a           7    comment                  "Not applicable"      "Not applicable"    0   parsed_1ha9   1   
        1   1ha9.mr   .   .    unknown       8    distance                  NOE                   simple             0   parsed_1ha9   1   
        1   1ha9.mr   .   .   "MR format"    9   "nomenclature mapping"    "Not applicable"      "Not applicable"    0   parsed_1ha9   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_1ha9 
    _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    PROTEASE INHIBITOR                      02-APR-01   1HA9
*TITLE     SOLUTION STRUCTURE OF THE SQUASH TRYPSIN INHIBITOR
*TITLE    2 MCOTI-II, NMR, 30 STRUCTURES.
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: TRYPSIN INHIBITOR II;
*COMPND   3 SYNONYM: MCOTI-II;
*COMPND   4 CHAIN: A;
*COMPND   5 OTHER_DETAILS: SQUASH TRYPSIN INHIBITOR
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: MOMORDICA COCHINCHINENSIS;
*SOURCE   3 OTHER_DETAILS: SEEDS
*KEYWDS    PLANT PROTEIN, CYCLIC KNOTTIN, BACKBONE CYCLIC, 3-10 HELIX,
*KEYWDS   2 TRIPLE- STRANDED ANTI-PARALLEL BETA-SHEET
*EXPDTA    NMR, 30 STRUCTURES
*AUTHOR    A.HEITZ,J.F.HERNANDEZ,J.GAGNON,T.T.HONG,T.T.C.PHAM,
*AUTHOR   2 T.M.NGUYEN,D.LE-NGUYEN,L.CHICHE
*REVDAT   1   12-APR-01 1HA9    0




Constraints used for structure calculation of MCoTI-II.





PEPTIDE CYCLIZATION CONSTRAINTS (distances [ ])



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save_

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