data_AVS_bmrb_pdb_report_7175 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 7175 _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 49 TYR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 7175 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 49 TYR C 174.5 . 175.39 1.89 6.3771e-01 7175 1 1 1 1 49 TYR CA 56.8 . 58.02 2.64 6.4399e-01 7175 1 1 1 1 49 TYR CB 44.7 . 39.16 2.23 1.2980e-02 7175 1 1 1 1 49 TYR CD1 134.1 . 132.54 1.35 2.4786e-01 7175 1 1 1 1 49 TYR CD2 134.1 . 132.26 1.99 3.5516e-01 7175 1 1 1 1 49 TYR CE1 114.5 . 117.81 2.09 1.1325e-01 7175 1 1 1 1 49 TYR CE2 114.5 A 117.91 2.6 1.8968e-01 7175 1 1 1 1 49 TYR H 8.69 . 8.37 0.75 6.6962e-01 7175 1 1 1 1 49 TYR HA 5.56 . 4.63 0.56 9.6771e-02 7175 1 1 1 1 49 TYR HB2 2.50 . 2.91 0.37 2.6782e-01 7175 1 1 1 1 49 TYR HB3 3.17 . 2.91 0.37 4.8224e-01 7175 1 1 1 1 49 TYR HD1 7.14 . 6.87 0.65 6.7786e-01 7175 1 1 1 1 49 TYR HD2 7.14 . 6.86 0.68 6.8051e-01 7175 1 1 1 1 49 TYR HE1 6.54 . 6.64 0.58 8.6311e-01 7175 1 1 1 1 49 TYR HE2 6.54 . 6.63 0.61 8.8271e-01 7175 1 1 1 1 49 TYR N 115.5 . 120.79 4.69 2.5935e-01 7175 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 49 TYR GLY 0.65 7175 1 1 1 1 49 TYR CYS 0.29 7175 1 1 1 1 49 TYR TYR 0.04 7175 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 7175 _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 7175 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 7175 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 7175 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 7175 _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_