NMR Restraints Grid

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

image mrblock_id pdb_id cing stage program type
33953 1j6t cing 2-parsed STAR comment


data_1j6t_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1j6t 
    _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_1j6t   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1j6t 
    _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   1j6t   "Master copy"    parsed_1j6t   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1j6t 
    _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   1j6t.mr   .   .   "MR format"     1    comment                  "Not applicable"    "Not applicable"      0   parsed_1j6t   1   
        1   1j6t.mr   .   .    n/a            2    comment                  "Not applicable"    "Not applicable"      0   parsed_1j6t   1   
        1   1j6t.mr   .   .    XPLOR/CNS      3    distance                  NOE                 simple              97   parsed_1j6t   1   
        1   1j6t.mr   .   .    n/a            4    comment                  "Not applicable"    "Not applicable"      0   parsed_1j6t   1   
        1   1j6t.mr   .   .    XPLOR/CNS      5    distance                  NOE                 simple              43   parsed_1j6t   1   
        1   1j6t.mr   .   .    n/a            6    comment                  "Not applicable"    "Not applicable"      0   parsed_1j6t   1   
        1   1j6t.mr   .   .    XPLOR/CNS      7    distance                  NOE                 simple              62   parsed_1j6t   1   
        1   1j6t.mr   .   .    n/a            8    comment                  "Not applicable"    "Not applicable"      0   parsed_1j6t   1   
        1   1j6t.mr   .   .    XPLOR/CNS      9   "dihedral angle"          "Not applicable"    "Not applicable"     67   parsed_1j6t   1   
        1   1j6t.mr   .   .    n/a           10    comment                  "Not applicable"    "Not applicable"      0   parsed_1j6t   1   
        1   1j6t.mr   .   .    XPLOR/CNS     11   "dihedral angle"          "Not applicable"    "Not applicable"     62   parsed_1j6t   1   
        1   1j6t.mr   .   .    n/a           12    comment                  "Not applicable"    "Not applicable"      0   parsed_1j6t   1   
        1   1j6t.mr   .   .    XPLOR/CNS     13   "dipolar coupling"        "Not applicable"    "Not applicable"    185   parsed_1j6t   1   
        1   1j6t.mr   .   .    n/a           14    comment                  "Not applicable"    "Not applicable"      0   parsed_1j6t   1   
        1   1j6t.mr   .   .    XPLOR/CNS     15   "dipolar coupling"        "Not applicable"    "Not applicable"      0   parsed_1j6t   1   
        1   1j6t.mr   .   .   "MR format"    16   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_1j6t   1   
    stop_

save_


save_MR_file_comment_14
    _Org_constr_file_comment.Sf_category         org_constr_file_comment 
    _Org_constr_file_comment.Entry_ID            parsed_1j6t 
    _Org_constr_file_comment.ID                  1 
    _Org_constr_file_comment.Constraint_file_ID  1 
    _Org_constr_file_comment.Block_ID            14 
    _Org_constr_file_comment.Details            "Generated by Wattos" 
    _Org_constr_file_comment.Comment            
;
(2) Ca-Ha and N-C' dipolar couplings. Da(NH) = -9.4 Hz, rhombicity = 0.58
measured in 4% PEG/hexanol using 15N/13C-HPr/unlabeled-IIAmtl and
unlabeled-HPR/15N/13C-IIAmtl with unlabeled component in large excess
to ensure that labeled protein was completely bound.
Note that small unavoidable variations in the concentration of PEG/hexanol among 
different samples introduces small variations in Da(NH) (the axial component
of the alignment tensor). The dipolar couplings are appropriately normalized
to reflect this.  Also all dipolar couplings are normalized to Da(NH).

;

save_





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