data_AVS_bmrb_pdb_report_11457 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11457 _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 1 106 TYR Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11457 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 1 106 TYR C 175.685 . 175.4 1.99 8.8612e-01 11457 1 1 1 1 106 TYR CA 59.432 . 58.13 2.51 6.0395e-01 11457 1 1 1 1 106 TYR CB 35.882 . 39.32 2.16 1.1146e-01 11457 1 1 1 1 106 TYR CD1 133.409 . 132.77 1.17 5.8496e-01 11457 1 1 1 1 106 TYR CD2 133.409 . 132.73 1.3 6.0146e-01 11457 1 1 1 1 106 TYR CE1 117.706 . 117.93 1.19 8.5069e-01 11457 1 1 1 1 106 TYR CE2 117.706 . 117.9 1.18 8.6941e-01 11457 1 1 1 1 106 TYR H 7.862 . 8.32 0.73 5.3040e-01 11457 1 1 1 1 106 TYR HA 3.648 . 4.63 0.56 7.9504e-02 11457 1 1 1 1 106 TYR HB2 0.099 A 2.91 0.37 3.0238e-14 11457 1 1 1 1 106 TYR HB3 1.52 S 2.84 0.39 7.1278e-04 11457 1 1 1 1 106 TYR HD1 6.664 . 6.93 0.3 3.7526e-01 11457 1 1 1 1 106 TYR HD2 6.664 . 6.93 0.3 3.7526e-01 11457 1 1 1 1 106 TYR HE1 6.678 . 6.7 0.23 9.2380e-01 11457 1 1 1 1 106 TYR HE2 6.678 . 6.71 0.23 8.8935e-01 11457 1 1 1 1 106 TYR N 123.923 . 120.52 4.2 4.1780e-01 11457 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 1 106 TYR CYS 0.55 11457 1 1 1 1 106 TYR TYR 0.43 11457 1 1 1 1 106 TYR HIS 0.01 11457 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11457 _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 11457 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11457 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11457 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11457 _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_