data_AVS_bmrb_pdb_report_18260


save_AVS_chem_shift_analysis
    _AVS_report.Sf_category     AVS_report 
    _AVS_report.Sf_framecode    AVS_chem_shift_analysis 
    _AVS_report.Entry_ID        18260 
    _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 26 TRP Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 18260 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 26 TRP C   177.712 . 176.12 2.01 4.2834e-01 18260 1 
        1 1 1 26 TRP CA   62.550 .  57.66 2.58 5.8046e-02 18260 1 
        1 1 1 26 TRP CB   28.114 .  30.01 2.01 3.4554e-01 18260 1 
        1 1 1 26 TRP CD1 127.365 . 126.51 1.83 6.4035e-01 18260 1 
        1 1 1 26 TRP CE2 158.596 . 138.31 6.98 3.6573e-03 18260 1 
        1 1 1 26 TRP CZ2 103.184 A 114.26 1.12 4.6332e-23 18260 1 
        1 1 1 26 TRP H     7.631 .   8.29 0.79 4.0418e-01 18260 1 
        1 1 1 26 TRP HA    4.101 .   4.68 0.53 2.7463e-01 18260 1 
        1 1 1 26 TRP HB2   3.360 .   3.19 0.35 6.2717e-01 18260 1 
        1 1 1 26 TRP HB3   3.200 .   3.12 0.36 8.2414e-01 18260 1 
        1 1 1 26 TRP HD1   7.248 .   7.14 0.36 7.6418e-01 18260 1 
        1 1 1 26 TRP HE1  10.164 .  10.08 0.66 8.9872e-01 18260 1 
        1 1 1 26 TRP HZ2   6.597 .   7.28 0.33 3.8481e-02 18260 1 
        1 1 1 26 TRP N   120.649 . 121.68 4.18 8.0518e-01 18260 1 
        1 1 1 26 TRP NE1 129.645 . 129.32 2.11 8.7759e-01 18260 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 26 TRP CYS 0.99 18260 1 
    stop_

save_


save_AVS
    _Software.Sf_category   software 
    _Software.Sf_framecode  AVS 
    _Software.Entry_ID      18260 
    _Software.ID            1 
    _Software.Name         "AutoPeak - validate_assignments" 
    _Software.Version       2011-12-10 
    _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 18260 1 
    stop_


    loop_
        _Task.Task 
        _Task.Entry_ID 
        _Task.Software_ID 

        "validate protein chemical shift assignments"  18260 1 
    stop_


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

        2 $AVS_citation  18260 1 
    stop_

save_


save_AVS_citation
    _Citation.Sf_category    citation 
    _Citation.Sf_framecode   AVS_citation 
    _Citation.Entry_ID       18260 
    _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_