data_AVS_bmrb_pdb_report_17231 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17231 _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 31 THR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 17231 1 1 1 1 32 ASP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 17231 1 1 1 1 37 LYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 17231 1 1 1 1 54 SER Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 17231 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 31 THR C 181.94 A 174.6 1.8 4.5468e-05 17231 1 1 1 1 31 THR CA 65.89 . 62.15 2.72 1.6913e-01 17231 1 1 1 1 31 THR CB 67.78 . 69.64 1.7 2.7390e-01 17231 1 1 1 1 31 THR H 8.02 . 8.27 0.62 6.8678e-01 17231 1 1 1 1 31 THR N 120.70 . 115.7 5.05 3.2213e-01 17231 1 1 1 1 32 ASP C 181.94 A 176.41 1.77 1.7823e-03 17231 1 1 1 1 32 ASP CA 57.84 . 54.52 2.1 1.1389e-01 17231 1 1 1 1 32 ASP CB 39.17 . 40.7 1.67 3.5958e-01 17231 1 1 1 1 32 ASP H 8.45 . 8.33 0.57 8.3326e-01 17231 1 1 1 1 32 ASP N 126.70 . 120.73 4.2 1.5519e-01 17231 1 1 1 1 37 LYS C 181.53 A 176.46 2.05 1.3392e-02 17231 1 1 1 1 37 LYS CA 59.19 . 56.84 2.25 2.9628e-01 17231 1 1 1 1 37 LYS CB 31.03 . 32.83 1.88 3.3834e-01 17231 1 1 1 1 37 LYS H 8.12 . 8.22 0.64 8.7584e-01 17231 1 1 1 1 37 LYS N 120.20 . 121.16 4.11 8.1531e-01 17231 1 1 1 1 54 SER C 174.88 . 174.53 1.73 8.3967e-01 17231 1 1 1 1 54 SER CA 62.05 . 58.57 2.12 1.0069e-01 17231 1 1 1 1 54 SER CB 52.83 A 63.8 1.57 2.8030e-12 17231 1 1 1 1 54 SER H 7.92 . 8.29 0.62 5.5066e-01 17231 1 1 1 1 54 SER N 117.30 . 116.3 3.95 8.0014e-01 17231 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 31 THR THR 0.99 17231 1 1 1 1 32 ASP TYR 0.27 17231 1 1 1 1 32 ASP PHE 0.25 17231 1 1 1 1 32 ASP CYS 0.2 17231 1 1 1 1 32 ASP ILE 0.1 17231 1 1 1 1 32 ASP ASP 0.05 17231 1 1 1 1 32 ASP LEU 0.03 17231 1 1 1 1 32 ASP GLU 0.03 17231 1 1 1 1 32 ASP ASN 0.02 17231 1 1 1 1 37 LYS TRP 0.15 17231 1 1 1 1 37 LYS CYS 0.15 17231 1 1 1 1 37 LYS ARG 0.12 17231 1 1 1 1 37 LYS GLU 0.12 17231 1 1 1 1 37 LYS HIS 0.08 17231 1 1 1 1 37 LYS VAL 0.07 17231 1 1 1 1 37 LYS LYS 0.07 17231 1 1 1 1 37 LYS MET 0.06 17231 1 1 1 1 37 LYS GLN 0.06 17231 1 1 1 1 37 LYS ILE 0.04 17231 1 1 1 1 54 SER PRO 0.8 17231 1 1 1 1 54 SER CYS 0.19 17231 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17231 _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 17231 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17231 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17231 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17231 _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_