data_AVS_bmrb_pdb_report_16768 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16768 _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 11 ASP Anomalous Consistent Consistent Anomalous Consistent Anomalous . . 16768 1 1 1 1 21 MET Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16768 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 11 ASP C 177.2 . 176.41 1.77 6.5536e-01 16768 1 1 1 1 11 ASP CA 56.43 . 54.52 2.1 3.6307e-01 16768 1 1 1 1 11 ASP CB 40.91 . 40.7 1.67 8.9993e-01 16768 1 1 1 1 11 ASP H 127.5 A 8.33 0.57 0.0000e+00 16768 1 1 1 1 11 ASP HA 4.342 . 4.61 0.31 3.8730e-01 16768 1 1 1 1 11 ASP HB2 2.485 . 2.74 0.29 3.7923e-01 16768 1 1 1 1 11 ASP HB3 2.57 . 2.7 0.29 6.5395e-01 16768 1 1 1 1 11 ASP N 7.808 A 120.73 4.2 0.0000e+00 16768 1 1 1 1 21 MET C 173.1 . 176.3 2.13 1.3301e-01 16768 1 1 1 1 21 MET CA 55.17 . 56.16 2.34 6.7224e-01 16768 1 1 1 1 21 MET CB 36.51 . 32.9 2.23 1.0548e-01 16768 1 1 1 1 21 MET CG 31.19 . 32.07 1.45 5.4392e-01 16768 1 1 1 1 21 MET H 9.237 . 8.26 0.6 1.0345e-01 16768 1 1 1 1 21 MET HA 4.777 . 4.39 0.46 4.0018e-01 16768 1 1 1 1 21 MET HB2 1.858 . 2.03 0.38 6.5081e-01 16768 1 1 1 1 21 MET HB3 1.908 . 2.01 0.36 7.7692e-01 16768 1 1 1 1 21 MET HG2 2.288 . 2.44 0.36 6.7286e-01 16768 1 1 1 1 21 MET HG3 2.358 . 2.41 0.4 8.9657e-01 16768 1 1 1 1 21 MET N 131.9 A 120.1 3.88 2.3561e-03 16768 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 11 ASP LEU 0.19 16768 1 1 1 1 11 ASP LYS 0.18 16768 1 1 1 1 11 ASP ASP 0.18 16768 1 1 1 1 11 ASP TYR 0.17 16768 1 1 1 1 11 ASP CYS 0.16 16768 1 1 1 1 11 ASP ASN 0.03 16768 1 1 1 1 11 ASP ARG 0.03 16768 1 1 1 1 11 ASP ILE 0.02 16768 1 1 1 1 21 MET CYS 0.38 16768 1 1 1 1 21 MET GLU 0.34 16768 1 1 1 1 21 MET MET 0.18 16768 1 1 1 1 21 MET LYS 0.03 16768 1 1 1 1 21 MET GLN 0.02 16768 1 1 1 1 21 MET ILE 0.01 16768 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16768 _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 16768 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16768 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16768 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16768 _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_