data_AVS_bmrb_pdb_report_5765


save_AVS_chem_shift_analysis
    _AVS_report.Sf_category     AVS_report 
    _AVS_report.Sf_framecode    AVS_chem_shift_analysis 
    _AVS_report.Entry_ID        5765 
    _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 

        5765 1 1 1 1 12 VAL Anomalous Indeterminable Suspicious Anomalous Indeterminable Indeterminable "HB > HG1"  0.9918 
        5765 1 1 1 1 12 VAL .         .              .          .         .              .              "HB > HG2"  0.9927 
        5765 1 1 1 1 18 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 

        5765 1 1 1 1 12 VAL H    8.08 . 8.29 0.71 7.6740e-01 
        5765 1 1 1 1 12 VAL HA   4.36 . 4.16 0.57 7.2568e-01 
        5765 1 1 1 1 12 VAL HB   2.35 . 1.99 0.33 2.7531e-01 
        5765 1 1 1 1 12 VAL HG1  2.56 M 0.84 0.27 1.8857e-10 
        5765 1 1 1 1 12 VAL HG2  2.51 S 0.83 0.29 6.9098e-09 
        5765 1 1 1 1 18 ILE H    8.19 . 8.26 0.71 9.2146e-01 
        5765 1 1 1 1 18 ILE HA   4.01 . 4.2  0.56 7.3439e-01 
        5765 1 1 1 1 18 ILE HB   2.20 . 1.8  0.31 1.9694e-01 
        5765 1 1 1 1 18 ILE HG2  1.40 . 0.8  0.29 3.8549e-02 
        5765 1 1 1 1 18 ILE HG12 1.16 . 1.3  0.4  7.2634e-01 
        5765 1 1 1 1 18 ILE HG13 1.09 . 1.24 0.4  7.0766e-01 
        5765 1 1 1 1 18 ILE HD1  1.99 M 0.7  0.3  1.7080e-05 
    stop_

save_


save_AVS
    _Software.Sf_category   software 
    _Software.Sf_framecode  AVS 
    _Software.Entry_ID      5765 
    _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 

        5765 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 

        5765 1 "validate protein chemical shift assignments"  
    stop_


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

        5765 1 2 $AVS_citation  
    stop_

save_


save_AVS_citation
    _Citation.Sf_category    citation 
    _Citation.Sf_framecode   AVS_citation 
    _Citation.Entry_ID       5765 
    _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_