data_AVS_bmrb_pdb_report_16320 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16320 _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 83 ASN Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16320 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 83 ASN C 177.7 . 175.16 1.76 1.4897e-01 16320 1 1 1 1 83 ASN CA 56 . 53.43 1.94 1.8526e-01 16320 1 1 1 1 83 ASN CB 37 . 38.66 1.78 3.5103e-01 16320 1 1 1 1 83 ASN H 8.44 . 8.37 0.65 9.1424e-01 16320 1 1 1 1 83 ASN HA 4.44 . 4.7 0.39 5.0499e-01 16320 1 1 1 1 83 ASN HB2 2.51 . 2.8 0.34 3.9369e-01 16320 1 1 1 1 83 ASN HB3 2.94 . 2.78 0.34 6.3793e-01 16320 1 1 1 1 83 ASN HD21 7.59 . 7.27 0.52 5.3830e-01 16320 1 1 1 1 83 ASN HD22 7.59 . 7.2 0.52 4.5325e-01 16320 1 1 1 1 83 ASN N 120.5 . 119.13 4.42 7.5660e-01 16320 1 1 1 1 83 ASN ND2 102.6 A 112.83 2.6 8.3330e-05 16320 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 83 ASN GLU 0.3 16320 1 1 1 1 83 ASN TYR 0.22 16320 1 1 1 1 83 ASN ASN 0.12 16320 1 1 1 1 83 ASN PHE 0.11 16320 1 1 1 1 83 ASN MET 0.08 16320 1 1 1 1 83 ASN ILE 0.04 16320 1 1 1 1 83 ASN LYS 0.03 16320 1 1 1 1 83 ASN ASP 0.03 16320 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16320 _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 16320 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16320 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16320 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16320 _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_