data_AVS_bmrb_pdb_report_4589


save_AVS_chem_shift_analysis
    _AVS_report.Sf_category     AVS_report 
    _AVS_report.Sf_framecode    AVS_chem_shift_analysis 
    _AVS_report.Entry_ID        4589 
    _AVS_report.ID              1 
    _AVS_report.Software_ID     1 
    _AVS_report.Software_label $AVS 

    loop_
        _AVS_analysis.Entry_ID 
        _AVS_analysis.AVS_report_ID 
        _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 

        4589 1 1 1 1 69 THR Anomalous Indeterminable Consistent Anomalous Indeterminable Consistent . . 
        4589 1 1 1 1 86 LEU Anomalous Indeterminable Consistent Anomalous Indeterminable Consistent . . 
    stop_


    loop_
        _AVS_analysis.Entry_ID 
        _AVS_analysis.AVS_report_ID 
        _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 

        4589 1 1 1 1 69 THR H    11.31 M   8.27 0.62 9.4276e-07 
        4589 1 1 1 1 69 THR HA    4.42 .   4.48 0.5  9.0448e-01 
        4589 1 1 1 1 69 THR HB    4.18 .   4.17 0.37 9.7844e-01 
        4589 1 1 1 1 69 THR HG2   1.10 .   1.16 0.28 8.3032e-01 
        4589 1 1 1 1 69 THR N   124.95 . 115.7  5.05 6.6999e-02 
        4589 1 1 1 1 86 LEU H     7.51 .   8.22 0.65 2.7470e-01 
        4589 1 1 1 1 86 LEU HA    4.02 .   4.32 0.47 5.2328e-01 
        4589 1 1 1 1 86 LEU HB2   3.07 M   1.63 0.34 2.2825e-05 
        4589 1 1 1 1 86 LEU HB3   3.07 S   1.57 0.36 3.0909e-05 
        4589 1 1 1 1 86 LEU HG    2.91 S   1.54 0.33 3.3028e-05 
        4589 1 1 1 1 86 LEU HD1   0.82 .   0.77 0.27 8.5308e-01 
        4589 1 1 1 1 86 LEU HD2   0.73 .   0.76 0.28 9.1468e-01 
        4589 1 1 1 1 86 LEU N   110.94 . 121.98 4.07 6.6772e-03 
    stop_

save_


save_AVS
    _Software.Sf_category   software 
    _Software.Sf_framecode  AVS 
    _Software.Entry_ID      4589 
    _Software.ID            1 
    _Software.Name         "AutoPeak - validate_assignments" 
    _Software.Version       1.4 
    _Software.Details      
;
Original version modified by BMRB to export results in a BMRB STAR format. Changed status "Misassigned" to "Anomalous"
;


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

        4589 1 "Hunter Moseley"  
;
Center for Advanced Biotechnology and Medicine
Rutgers University
679 Hoes Lane, Piscataway NJ 08854-5638
;
 hunter@cabm.rutgers.edu 
    stop_


    loop_
        _Task.Entry_ID 
        _Task.Software_ID 
        _Task.Task 

        4589 1 "validate protein chemical shift assignments"  
    stop_


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

        4589 1 2 $AVS_citation  
    stop_

save_


save_AVS_citation
    _Citation.Sf_category    citation 
    _Citation.Sf_framecode   AVS_citation 
    _Citation.Entry_ID       4589 
    _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_