data_AVS_bmrb_pdb_report_18167 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18167 _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 17 TYR Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD1 > HA" 1.0000 18167 1 1 1 1 17 TYR . . . . . . "HD2 > HA" 1.0000 18167 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 17 TYR C 173.307 . 175.4 1.99 2.9291e-01 18167 1 1 1 1 17 TYR CA 57.733 . 58.13 2.51 8.7433e-01 18167 1 1 1 1 17 TYR CB 41.583 . 39.32 2.16 2.9478e-01 18167 1 1 1 1 17 TYR H 9.104 . 8.32 0.73 2.8283e-01 18167 1 1 1 1 17 TYR HA 4.558 . 4.63 0.56 8.9770e-01 18167 1 1 1 1 17 TYR HB2 1.368 S 2.91 0.37 3.0787e-05 18167 1 1 1 1 17 TYR HB3 2.422 . 2.84 0.39 2.8381e-01 18167 1 1 1 1 17 TYR HD1 2.576 A 6.93 0.3 9.9753e-48 18167 1 1 1 1 17 TYR HD2 2.576 A 6.93 0.3 9.9753e-48 18167 1 1 1 1 17 TYR HE1 6.270 . 6.7 0.23 6.1544e-02 18167 1 1 1 1 17 TYR HE2 6.270 . 6.71 0.23 5.5743e-02 18167 1 1 1 1 17 TYR N 128.733 . 120.52 4.2 5.0527e-02 18167 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 17 TYR LYS 0.23 18167 1 1 1 1 17 TYR PHE 0.2 18167 1 1 1 1 17 TYR TYR 0.15 18167 1 1 1 1 17 TYR LEU 0.15 18167 1 1 1 1 17 TYR CYS 0.08 18167 1 1 1 1 17 TYR ASP 0.08 18167 1 1 1 1 17 TYR ARG 0.04 18167 1 1 1 1 17 TYR ILE 0.03 18167 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18167 _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 18167 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18167 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18167 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18167 _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_