data_AVS_bmrb_pdb_report_18154 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18154 _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 87 TYR Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD1 > HA" 1.0000 18154 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 87 TYR C 172.931 . 175.4 1.99 2.1472e-01 18154 1 1 1 1 87 TYR CA 55.261 . 58.13 2.51 2.5303e-01 18154 1 1 1 1 87 TYR CB 44.938 . 39.32 2.16 9.2973e-03 18154 1 1 1 1 87 TYR H 8.783 . 8.32 0.73 5.2592e-01 18154 1 1 1 1 87 TYR HA 6.765 A 4.63 0.56 1.3757e-04 18154 1 1 1 1 87 TYR HB2 3.008 . 2.91 0.37 7.9111e-01 18154 1 1 1 1 87 TYR HB3 2.585 . 2.84 0.39 5.1321e-01 18154 1 1 1 1 87 TYR HD1 6.700 . 6.93 0.3 4.4328e-01 18154 1 1 1 1 87 TYR HE1 7.190 . 6.7 0.23 3.3136e-02 18154 1 1 1 1 87 TYR N 117.420 . 120.52 4.2 4.6046e-01 18154 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 87 TYR GLY 0.53 18154 1 1 1 1 87 TYR LEU 0.26 18154 1 1 1 1 87 TYR ARG 0.07 18154 1 1 1 1 87 TYR CYS 0.05 18154 1 1 1 1 87 TYR ASP 0.02 18154 1 1 1 1 87 TYR PHE 0.02 18154 1 1 1 1 87 TYR TYR 0.01 18154 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18154 _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 18154 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18154 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18154 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18154 _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_