data_AVS_bmrb_pdb_report_1203


save_AVS_chem_shift_analysis
    _AVS_report.Sf_category     AVS_report 
    _AVS_report.Sf_framecode    AVS_chem_shift_analysis 
    _AVS_report.Entry_ID        1203 
    _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 

        1203 1 1 1 1 17 VAL Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 
        1203 1 1 1 1 68 VAL Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 
        1203 1 1 1 1 99 ILE Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 
    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 

        1203 1 1 1 1 17 VAL HA    1.69 M 4.16 0.57 1.4687e-05 
        1203 1 1 1 1 17 VAL HB     .85 S 1.99 0.33 5.5122e-04 
        1203 1 1 1 1 17 VAL HG1   -.47 S 0.84 0.27 1.2231e-06 
        1203 1 1 1 1 17 VAL HG2   -.01 . 0.83 0.29 3.7729e-03 
        1203 1 1 1 1 68 VAL HA    2.15 S 4.16 0.57 4.2138e-04 
        1203 1 1 1 1 68 VAL HB     .36 S 1.99 0.33 7.8366e-07 
        1203 1 1 1 1 68 VAL HG1  -1.05 S 0.84 0.27 2.5596e-12 
        1203 1 1 1 1 68 VAL HG2  -3.64 M 0.83 0.29 1.3222e-53 
        1203 1 1 1 1 99 ILE HA    3.91 . 4.2  0.56 6.0456e-01 
        1203 1 1 1 1 99 ILE HB     .62 S 1.8  0.31 1.4097e-04 
        1203 1 1 1 1 99 ILE HG2    .27 . 0.8  0.29 6.7612e-02 
        1203 1 1 1 1 99 ILE HG12   .62 . 1.3  0.4  8.9131e-02 
        1203 1 1 1 1 99 ILE HG13   .3  . 1.24 0.4  1.8773e-02 
        1203 1 1 1 1 99 ILE HD1  -2.09 M 0.7  0.3  1.4045e-20 
    stop_

save_


save_AVS
    _Software.Sf_category   software 
    _Software.Sf_framecode  AVS 
    _Software.Entry_ID      1203 
    _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 

        1203 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 

        1203 1 "validate protein chemical shift assignments"  
    stop_


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

        1203 1 2 $AVS_citation  
    stop_

save_


save_AVS_citation
    _Citation.Sf_category    citation 
    _Citation.Sf_framecode   AVS_citation 
    _Citation.Entry_ID       1203 
    _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_