data_AVS_bmrb_pdb_report_18388 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18388 _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 58 TYR Anomalous Suspicious Consistent Anomalous Consistent Consistent . . 18388 1 1 1 2 1 CA UNSUPPORTED . . . . . . . 18388 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 58 TYR C 171.811 . 175.4 1.99 7.1307e-02 18388 1 1 1 1 58 TYR CA 50.946 . 58.13 2.51 4.2078e-03 18388 1 1 1 1 58 TYR CB 34.494 . 39.32 2.16 2.5466e-02 18388 1 1 1 1 58 TYR CD2 128.789 . 132.73 1.3 2.4331e-03 18388 1 1 1 1 58 TYR CE2 114.648 . 117.9 1.18 5.8525e-03 18388 1 1 1 1 58 TYR H 8.446 . 8.32 0.73 8.6296e-01 18388 1 1 1 1 58 TYR HA 4.399 . 4.63 0.56 6.7997e-01 18388 1 1 1 1 58 TYR HB2 -0.024 A 2.91 0.37 2.1962e-15 18388 1 1 1 1 58 TYR HB3 1.677 . 2.84 0.39 2.8632e-03 18388 1 1 1 1 58 TYR HD1 6.406 . 6.93 0.3 8.0695e-02 18388 1 1 1 1 58 TYR HD2 6.406 . 6.93 0.3 8.0695e-02 18388 1 1 1 1 58 TYR HE1 6.568 . 6.7 0.23 5.6603e-01 18388 1 1 1 1 58 TYR HE2 6.568 . 6.71 0.23 5.3698e-01 18388 1 1 1 1 58 TYR N 130.962 . 120.52 4.2 1.2912e-02 18388 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 58 TYR CYS 0.79 18388 1 1 1 1 58 TYR HIS 0.12 18388 1 1 1 1 58 TYR TRP 0.05 18388 1 1 1 1 58 TYR PHE 0.02 18388 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18388 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _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 18388 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18388 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18388 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18388 _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_