data_AVS_bmrb_pdb_report_17772 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17772 _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 36 TYR Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17772 1 1 1 2 1 ZN UNSUPPORTED . . . . . . . 17772 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 36 TYR CA 55.337 . 58.13 2.51 2.6582e-01 17772 1 1 1 1 36 TYR CB 44.956 . 39.32 2.16 9.0738e-03 17772 1 1 1 1 36 TYR CD1 133.384 . 132.77 1.17 5.9973e-01 17772 1 1 1 1 36 TYR CE1 117.376 . 117.93 1.19 6.4154e-01 17772 1 1 1 1 36 TYR H 8.382 . 8.32 0.73 9.3232e-01 17772 1 1 1 1 36 TYR HA 5.041 . 4.63 0.56 4.6299e-01 17772 1 1 1 1 36 TYR HB2 2.274 . 2.91 0.37 8.5629e-02 17772 1 1 1 1 36 TYR HB3 3.353 . 2.84 0.39 1.8838e-01 17772 1 1 1 1 36 TYR HD1 6.845 . 6.93 0.3 7.7692e-01 17772 1 1 1 1 36 TYR HD2 6.845 . 6.93 0.3 7.7692e-01 17772 1 1 1 1 36 TYR HE1 6.484 . 6.7 0.23 3.4766e-01 17772 1 1 1 1 36 TYR HE2 6.484 . 6.71 0.23 3.2580e-01 17772 1 1 1 1 36 TYR HH 5.979 A 9.3 1.36 1.4610e-02 17772 1 1 1 1 36 TYR N 116.266 . 120.52 4.2 3.1113e-01 17772 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 36 TYR GLY 0.83 17772 1 1 1 1 36 TYR CYS 0.08 17772 1 1 1 1 36 TYR TYR 0.08 17772 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17772 _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 17772 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17772 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17772 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17772 _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_