data_AVS_bmrb_pdb_report_16542 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16542 _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 18 THR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16542 1 1 1 1 67 MET Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16542 1 1 1 1 118 VAL Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16542 1 1 1 1 231 MET Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16542 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 18 THR CA 70.670 A 62.15 2.72 1.7341e-03 16542 1 1 1 1 18 THR H 7.862 . 8.27 0.62 5.1050e-01 16542 1 1 1 1 18 THR N 116.428 . 115.7 5.05 8.8538e-01 16542 1 1 1 1 67 MET C 181.209 A 176.3 2.13 2.1184e-02 16542 1 1 1 1 67 MET CA 59.263 . 56.16 2.34 1.8482e-01 16542 1 1 1 1 67 MET H 8.445 . 8.26 0.6 7.5783e-01 16542 1 1 1 1 67 MET N 115.909 . 120.1 3.88 2.8007e-01 16542 1 1 1 1 118 VAL C 181.578 A 175.69 2.03 3.7258e-03 16542 1 1 1 1 118 VAL CA 65.336 . 62.48 3.04 3.4749e-01 16542 1 1 1 1 118 VAL H 8.316 . 8.29 0.71 9.7079e-01 16542 1 1 1 1 118 VAL N 119.778 . 121.02 4.96 8.0228e-01 16542 1 1 1 1 231 MET C 181.837 A 176.3 2.13 9.3351e-03 16542 1 1 1 1 231 MET CA 59.815 . 56.16 2.34 1.1830e-01 16542 1 1 1 1 231 MET H 8.605 . 8.26 0.6 5.6529e-01 16542 1 1 1 1 231 MET N 116.546 . 120.1 3.88 3.5968e-01 16542 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 18 THR VAL 0.7 16542 1 1 1 1 18 THR THR 0.17 16542 1 1 1 1 18 THR ILE 0.1 16542 1 1 1 1 18 THR CYS 0.01 16542 1 1 1 1 67 MET SER 0.12 16542 1 1 1 1 67 MET PHE 0.11 16542 1 1 1 1 67 MET TYR 0.1 16542 1 1 1 1 67 MET CYS 0.09 16542 1 1 1 1 67 MET TRP 0.09 16542 1 1 1 1 67 MET ILE 0.06 16542 1 1 1 1 67 MET GLU 0.06 16542 1 1 1 1 67 MET ARG 0.05 16542 1 1 1 1 67 MET VAL 0.04 16542 1 1 1 1 67 MET THR 0.04 16542 1 1 1 1 67 MET LYS 0.04 16542 1 1 1 1 67 MET HIS 0.03 16542 1 1 1 1 67 MET GLN 0.03 16542 1 1 1 1 67 MET MET 0.03 16542 1 1 1 1 67 MET LEU 0.01 16542 1 1 1 1 118 VAL VAL 0.25 16542 1 1 1 1 118 VAL SER 0.24 16542 1 1 1 1 118 VAL THR 0.17 16542 1 1 1 1 118 VAL PRO 0.15 16542 1 1 1 1 118 VAL ILE 0.13 16542 1 1 1 1 118 VAL CYS 0.01 16542 1 1 1 1 231 MET PHE 0.11 16542 1 1 1 1 231 MET SER 0.11 16542 1 1 1 1 231 MET ILE 0.1 16542 1 1 1 1 231 MET TYR 0.09 16542 1 1 1 1 231 MET CYS 0.09 16542 1 1 1 1 231 MET TRP 0.08 16542 1 1 1 1 231 MET THR 0.07 16542 1 1 1 1 231 MET VAL 0.07 16542 1 1 1 1 231 MET GLU 0.05 16542 1 1 1 1 231 MET ARG 0.04 16542 1 1 1 1 231 MET LYS 0.03 16542 1 1 1 1 231 MET HIS 0.02 16542 1 1 1 1 231 MET GLN 0.02 16542 1 1 1 1 231 MET MET 0.02 16542 1 1 1 1 231 MET LEU 0.01 16542 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16542 _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 16542 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16542 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16542 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16542 _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_