NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image	mrblock_id	pdb_id	cing	in_recoord	stage	program	type
	32545	1gb1	cing	recoord	2-parsed	STAR	comment

data_1gb1_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1gb1 
    _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_1gb1   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1gb1 
    _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   1gb1   "Master copy"    parsed_1gb1   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1gb1 
    _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   1gb1.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"    0   parsed_1gb1   1   
        1   1gb1.mr   .   .    n/a           2    comment                  "Not applicable"    "Not applicable"    0   parsed_1gb1   1   
        1   1gb1.mr   .   .    XPLOR/CNS     3    distance                  NOE                 simple             0   parsed_1gb1   1   
        1   1gb1.mr   .   .    XPLOR/CNS     4    distance                 "hydrogen bond"      simple             0   parsed_1gb1   1   
        1   1gb1.mr   .   .    n/a           5    comment                  "Not applicable"    "Not applicable"    0   parsed_1gb1   1   
        1   1gb1.mr   .   .    XPLOR/CNS     6   "dihedral angle"          "Not applicable"    "Not applicable"    0   parsed_1gb1   1   
        1   1gb1.mr   .   .    n/a           7    comment                  "Not applicable"    "Not applicable"    0   parsed_1gb1   1   
        1   1gb1.mr   .   .    unknown       8   "chemical shift"          "Not applicable"    "Not applicable"    0   parsed_1gb1   1   
        1   1gb1.mr   .   .   "MR format"    9   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_1gb1   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_1gb1 
    _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            
;
REMARK Experimental NMR restraints used to determine the
REMARK high resolution three-dimensional structure of the
REMARK B1 domain of protein G in solution
REMARK
REMARK Authors: A.M. Gronenborn and G.M. Clore
REMARK
REMARK References
REMARK
REMARK 1.  Gronenborn, A.M., Filpula, D.R., Essig, N.Z., Achari, A.,
REMARK     Whitlow, M., Wingfield, P.T. & Clore, G.M. (1991)
REMARK     The immunoglobulin binding domain of streptococcal protein G
REMARK     has a novel and highly stable polypeptide fold.
REMARK     Science in press
REMARK
REMARK
REMARK    Details of the structure determination and all structural
REMARK    statistics are given in ref. 1 (i.e. agreement with experimental
REMARK    restraints, deviations from ideality for bond lengths, angles,
REMARK    planes and chirality, non-bonded contacts, atomic rms differences
REMARK    between the calculated structures).
REMARK    The structures are based on 854 interproton distance restraints
REMARK    derived from NOE measurements; 60 hydrogen-bonding distance
REMARK    restraints for 30 hydrogen-bonds identified on the basis of the
REMARK    NOE and amide proton exchange data, as well as the initial structure
REMARK    calculations; and 54 phi and 51 psi backbone torsion angle
REMARK    restraints and 39 chi1 side chain torsion angle restraints derived
REMARK    from coupling constants and NOE data. The latter are obtained using
REMARK    the conformationa grid search program STEREOSEARCH [Nilges, M.,
REMARK    Clore, G.M. & Gronenborn, A.M. (1990) Biopolymers 29, 813-822
REMARK    The method used to determine the structures
REMARK    is the hybrid metric matrix distance geometry-dynamical simulated
REMARK    annealing method  [Nilges, M., Clore, G.M. & Gronenborn, A.M.
REMARK    FEBS Lett. 229, 317-324 (1988)].
REMARK
REMARK
 
REMARK    All the coordinates
REMARK    are included here as a separate file: g_brookhaven.pdb
REMARK
REMARK    The NOE restraints are given in (A), the torsion angle restraints
REMARK    in (B), and the table of proton chemical shift assignments in (C).
REMARK
REMARK
;

save_

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