data_AVS_bmrb_pdb_report_17882


save_AVS_chem_shift_analysis
    _AVS_report.Sf_category     AVS_report 
    _AVS_report.Sf_framecode    AVS_chem_shift_analysis 
    _AVS_report.Entry_ID        17882 
    _AVS_report.ID              1 
    _AVS_report.Software_ID     1 
    _AVS_report.Software_label $AVS 

    loop_
        _AVS_analysis.Assembly_ID 
        _AVS_analysis.Entity_assembly_ID 
        _AVS_analysis.Entity_ID 
        _AVS_analysis.Comp_index_ID 
        _AVS_analysis.Comp_ID 
        _AVS_analysis.Comp_overall_assignment_score 
        _AVS_analysis.Comp_typing_score 
        _AVS_analysis.Comp_SRO_score 
        _AVS_analysis.Comp_1H_shifts_analysis_status 
        _AVS_analysis.Comp_13C_shifts_analysis_status 
        _AVS_analysis.Comp_15N_shifts_analysis_status 
        _AVS_analysis.SRO_rule_break 
        _AVS_analysis.SRO_rule_break_probability 
        _AVS_analysis.Entry_ID 
        _AVS_analysis.AVS_report_ID 

        1 1 1 50 HIS Anomalous   Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 17882 1 
        1 1 1 60 LEU Anomalous   Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 17882 1 
        1 1 2  1 NHE UNSUPPORTED .              .          .         .              .              . . 17882 1 
    stop_


    loop_
        _AVS_analysis.Assembly_ID 
        _AVS_analysis.Entity_assembly_ID 
        _AVS_analysis.Entity_ID 
        _AVS_analysis.Comp_index_ID 
        _AVS_analysis.Comp_ID 
        _AVS_analysis.Atom_ID 
        _AVS_analysis.Observed_chem_shift 
        _AVS_analysis.Observed_chem_shift_typing 
        _AVS_analysis.Stat_chem_shift_expected 
        _AVS_analysis.Stat_chem_shift_std 
        _AVS_analysis.Stat_chem_shift_chi_sqr 
        _AVS_analysis.Entry_ID 
        _AVS_analysis.AVS_report_ID 

        1 1 1 50 HIS H    8.919 . 8.24 0.68 3.1802e-01 17882 1 
        1 1 1 50 HIS HA   4.087 . 4.61 0.43 2.2388e-01 17882 1 
        1 1 1 50 HIS HB2  3.378 . 3.1  0.36 4.3998e-01 17882 1 
        1 1 1 50 HIS HB3  3.457 . 3.04 0.38 2.7248e-01 17882 1 
        1 1 1 50 HIS HE1  0.077 A 7.95 0.48 1.8479e-60 17882 1 
        1 1 1 60 LEU HA   1.828 A 4.32 0.47 1.1446e-07 17882 1 
        1 1 1 60 LEU HB2  0.762 . 1.61 0.34 1.2627e-02 17882 1 
        1 1 1 60 LEU HB3  1.052 . 1.52 0.36 1.9360e-01 17882 1 
        1 1 1 60 LEU HG   0.590 . 1.51 0.33 5.3054e-03 17882 1 
        1 1 1 60 LEU HD11 0.195 . 0.75 0.28 4.7463e-02 17882 1 
        1 1 1 60 LEU HD12 0.195 . 0.75 0.28 4.7463e-02 17882 1 
        1 1 1 60 LEU HD13 0.195 . 0.75 0.28 4.7463e-02 17882 1 
        1 1 1 60 LEU HD21 0.387 . 0.73 0.29 2.3690e-01 17882 1 
        1 1 1 60 LEU HD22 0.387 . 0.73 0.29 2.3690e-01 17882 1 
        1 1 1 60 LEU HD23 0.387 . 0.73 0.29 2.3690e-01 17882 1 
    stop_

save_


save_AVS
    _Software.Sf_category   software 
    _Software.Sf_framecode  AVS 
    _Software.Entry_ID      17882 
    _Software.ID            1 
    _Software.Name         "AutoPeak - validate_assignments" 
    _Software.Version       2011-12-10 
    _Software.Details      
;
Original version modified by BMRB to export results in a BMRB STAR format. Changed status "Misassigned" to "Anomalous"
;


    loop_
        _Vendor.Name 
        _Vendor.Address 
        _Vendor.Electronic_address 
        _Vendor.Entry_ID 
        _Vendor.Software_ID 

        "Hunter Moseley"  
;
Center for Advanced Biotechnology and Medicine
Rutgers University
679 Hoes Lane, Piscataway NJ 08854-5638
;
 hunter@cabm.rutgers.edu 17882 1 
    stop_


    loop_
        _Task.Task 
        _Task.Entry_ID 
        _Task.Software_ID 

        "validate protein chemical shift assignments"  17882 1 
    stop_


    loop_
        _Software_citation.Citation_ID 
        _Software_citation.Citation_label 
        _Software_citation.Entry_ID 
        _Software_citation.Software_ID 

        2 $AVS_citation  17882 1 
    stop_

save_


save_AVS_citation
    _Citation.Sf_category    citation 
    _Citation.Sf_framecode   AVS_citation 
    _Citation.Entry_ID       17882 
    _Citation.ID             2 
    _Citation.Class          citation 
    _Citation.PubMed_ID      14872126 
    _Citation.Full_citation 
;
Moseley HN, Sahota G, Montelione GT., Assignment validation software suite 
for the evaluation and presentation of protein resonance assignment data.
J Biomol NMR. 28, 341-55 (2004)
;

    _Citation.Status         published 
    _Citation.Type           journal 
save_