data_AVS_bmrb_pdb_report_16565


save_AVS_chem_shift_analysis
    _AVS_report.Sf_category     AVS_report 
    _AVS_report.Sf_framecode    AVS_chem_shift_analysis 
    _AVS_report.Entry_ID        16565 
    _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  65 ASN Anomalous Consistent Consistent Indeterminable Consistent Anomalous  . . 16565 1 
        1 1 1 216 ASN Anomalous Consistent Consistent Indeterminable Anomalous  Consistent . . 16565 1 
        1 1 1 248 ASN Anomalous Consistent Consistent Indeterminable Anomalous  Consistent . . 16565 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  65 ASN C  173.7 . 175.16 1.76 4.0680e-01 16565 1 
        1 1 1  65 ASN CA  53.4 .  53.43 1.94 9.8766e-01 16565 1 
        1 1 1  65 ASN N  104.5 A 119.13 4.42 9.3311e-04 16565 1 
        1 1 1 216 ASN C  180.6 A 175.16 1.76 1.9954e-03 16565 1 
        1 1 1 216 ASN CA  52.2 .  53.43 1.94 5.2607e-01 16565 1 
        1 1 1 216 ASN CB  39   .  38.66 1.78 8.4852e-01 16565 1 
        1 1 1 216 ASN N  117.7 . 119.13 4.42 7.4629e-01 16565 1 
        1 1 1 248 ASN C  180.4 A 175.16 1.76 2.9083e-03 16565 1 
        1 1 1 248 ASN CA  55.2 .  53.43 1.94 3.6157e-01 16565 1 
        1 1 1 248 ASN CB  39   .  38.66 1.78 8.4852e-01 16565 1 
        1 1 1 248 ASN N  126.5 . 119.13 4.42 9.5431e-02 16565 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.PRTL_comp_type 
        _AVS_analysis.PRTL_probability_score 
        _AVS_analysis.Entry_ID 
        _AVS_analysis.AVS_report_ID 

        1 1 1  65 ASN ASN 0.23 16565 1 
        1 1 1  65 ASN ALA 0.21 16565 1 
        1 1 1  65 ASN ASP 0.13 16565 1 
        1 1 1  65 ASN LEU 0.07 16565 1 
        1 1 1  65 ASN MET 0.05 16565 1 
        1 1 1  65 ASN CYS 0.05 16565 1 
        1 1 1  65 ASN HIS 0.05 16565 1 
        1 1 1  65 ASN GLN 0.03 16565 1 
        1 1 1  65 ASN ARG 0.03 16565 1 
        1 1 1  65 ASN LYS 0.02 16565 1 
        1 1 1  65 ASN TRP 0.02 16565 1 
        1 1 1  65 ASN TYR 0.01 16565 1 
        1 1 1  65 ASN PHE 0.01 16565 1 
        1 1 1  65 ASN GLU 0.01 16565 1 
        1 1 1 216 ASN ASN 0.49 16565 1 
        1 1 1 216 ASN ASP 0.2  16565 1 
        1 1 1 216 ASN CYS 0.14 16565 1 
        1 1 1 216 ASN TYR 0.05 16565 1 
        1 1 1 216 ASN PHE 0.04 16565 1 
        1 1 1 216 ASN LEU 0.03 16565 1 
        1 1 1 248 ASN ASN 0.19 16565 1 
        1 1 1 248 ASN CYS 0.19 16565 1 
        1 1 1 248 ASN ASP 0.17 16565 1 
        1 1 1 248 ASN TYR 0.17 16565 1 
        1 1 1 248 ASN PHE 0.14 16565 1 
        1 1 1 248 ASN LEU 0.05 16565 1 
        1 1 1 248 ASN GLU 0.02 16565 1 
        1 1 1 248 ASN ILE 0.02 16565 1 
    stop_

save_


save_AVS
    _Software.Sf_category   software 
    _Software.Sf_framecode  AVS 
    _Software.Entry_ID      16565 
    _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.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 16565 1 
    stop_


    loop_
        _Task.Task 
        _Task.Entry_ID 
        _Task.Software_ID 

        "validate protein chemical shift assignments"  16565 1 
    stop_


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

        2 $AVS_citation  16565 1 
    stop_

save_


save_AVS_citation
    _Citation.Sf_category    citation 
    _Citation.Sf_framecode   AVS_citation 
    _Citation.Entry_ID       16565 
    _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_