data_AVS_bmrb_pdb_report_26052 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 26052 _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 46 ASN Anomalous Consistent Suspicious Anomalous Consistent Consistent "HA > HB2" 1.0000 26052 1 1 1 1 46 ASN . . . . . . "HA > HB3" 1.0000 26052 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 46 ASN C 177.672 . 175.27 1.79 1.7963e-01 26052 1 1 1 1 46 ASN CA 55.912 . 53.54 1.88 2.0706e-01 26052 1 1 1 1 46 ASN CB 36.052 . 38.69 1.69 1.1854e-01 26052 1 1 1 1 46 ASN H 8.621 . 8.34 0.63 6.5557e-01 26052 1 1 1 1 46 ASN HA 2.040 A 4.67 0.36 2.7612e-13 26052 1 1 1 1 46 ASN HB2 2.291 . 2.81 0.31 9.4093e-02 26052 1 1 1 1 46 ASN HB3 2.501 . 2.75 0.33 4.5052e-01 26052 1 1 1 1 46 ASN HD21 7.726 . 7.35 0.48 4.3343e-01 26052 1 1 1 1 46 ASN HD22 8.399 . 7.14 0.49 1.0188e-02 26052 1 1 1 1 46 ASN N 129.238 . 118.93 4.03 1.0533e-02 26052 1 1 1 1 46 ASN ND2 115.402 . 112.75 2.23 2.3435e-01 26052 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 46 ASN GLU 0.39 26052 1 1 1 1 46 ASN MET 0.19 26052 1 1 1 1 46 ASN TYR 0.1 26052 1 1 1 1 46 ASN LYS 0.08 26052 1 1 1 1 46 ASN ASN 0.06 26052 1 1 1 1 46 ASN PHE 0.05 26052 1 1 1 1 46 ASN GLN 0.05 26052 1 1 1 1 46 ASN ILE 0.02 26052 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 26052 _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 26052 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 26052 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 26052 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 26052 _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_