data_AVS_bmrb_pdb_report_15453


save_AVS_chem_shift_analysis
    _AVS_report.Sf_category     AVS_report 
    _AVS_report.Sf_framecode    AVS_chem_shift_analysis 
    _AVS_report.Entry_ID        15453 
    _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 

        15453 1 1 1 1 22 ASN Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable  .           .     
        15453 1 1 1 1 32 LYS Anomalous Indeterminable Suspicious Anomalous Indeterminable Indeterminable "H > HD2"   0.9997 
        15453 1 1 1 1 32 LYS .         .              .          .         .              .              "HA > HD2"  0.9988 
        15453 1 1 1 1 32 LYS .         .              .          .         .              .              "HZ > HA"   0.9940 
        15453 1 1 1 1 32 LYS .         .              .          .         .              .              "HZ > HD2"  1.0000 
    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 

        15453 1 1 1 1 22 ASN H    7.972 . 8.37 0.65 5.4033e-01 
        15453 1 1 1 1 22 ASN HA   4.145 . 4.7  0.39 1.5471e-01 
        15453 1 1 1 1 22 ASN HB2  2.162 . 2.8  0.34 6.0591e-02 
        15453 1 1 1 1 22 ASN HB3 -0.065 M 2.78 0.34 5.8780e-17 
        15453 1 1 1 1 32 LYS H    8.184 . 8.22 0.64 9.5514e-01 
        15453 1 1 1 1 32 LYS HA   2.474 S 4.28 0.45 5.9867e-05 
        15453 1 1 1 1 32 LYS HB2  1.132 . 1.79 0.25 8.4884e-03 
        15453 1 1 1 1 32 LYS HB3  0.787 S 1.78 0.26 1.3387e-04 
        15453 1 1 1 1 32 LYS HG2  0.329 S 1.38 0.27 9.9179e-05 
        15453 1 1 1 1 32 LYS HD2  8.497 M 1.61 0.25 0.0000e+00 
        15453 1 1 1 1 32 LYS HZ   2.411 M 7.52 0.36 1.0318e-45 
    stop_

save_


save_AVS
    _Software.Sf_category   software 
    _Software.Sf_framecode  AVS 
    _Software.Entry_ID      15453 
    _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 

        15453 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 

        15453 1 "validate protein chemical shift assignments"  
    stop_


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

        15453 1 2 $AVS_citation  
    stop_

save_


save_AVS_citation
    _Citation.Sf_category    citation 
    _Citation.Sf_framecode   AVS_citation 
    _Citation.Entry_ID       15453 
    _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_