data_AVS_bmrb_pdb_report_17009 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17009 _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 44 TYR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 17009 1 1 1 1 52 HIS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17009 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 44 TYR C 181.037 A 175.39 1.89 2.8097e-03 17009 1 1 1 1 44 TYR CA 56.936 . 58.02 2.64 6.8136e-01 17009 1 1 1 1 44 TYR CB 37.447 . 39.16 2.23 4.4239e-01 17009 1 1 1 1 44 TYR H 8.606 . 8.37 0.75 7.5301e-01 17009 1 1 1 1 44 TYR N 119.042 . 120.79 4.69 7.0937e-01 17009 1 1 1 1 52 HIS CA 63.523 . 56.37 2.4 2.8786e-03 17009 1 1 1 1 52 HIS CB 31.936 . 29.95 2.15 3.5563e-01 17009 1 1 1 1 52 HIS H 11.815 A 8.25 0.74 1.4532e-06 17009 1 1 1 1 52 HIS N 116.325 . 119.44 4.52 4.9072e-01 17009 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 44 TYR TYR 0.28 17009 1 1 1 1 44 TYR GLU 0.26 17009 1 1 1 1 44 TYR PHE 0.17 17009 1 1 1 1 44 TYR ILE 0.08 17009 1 1 1 1 44 TYR ASN 0.06 17009 1 1 1 1 44 TYR MET 0.04 17009 1 1 1 1 44 TYR ASP 0.03 17009 1 1 1 1 44 TYR LYS 0.02 17009 1 1 1 1 44 TYR LEU 0.01 17009 1 1 1 1 52 HIS PRO 0.47 17009 1 1 1 1 52 HIS VAL 0.42 17009 1 1 1 1 52 HIS ILE 0.06 17009 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17009 _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 17009 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17009 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17009 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17009 _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_