data_AVS_bmrb_pdb_report_16063 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16063 _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 2 1 MET Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16063 1 1 1 2 53 PHE Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16063 1 1 1 3 1 ZN UNSUPPORTED . . . . . . . 16063 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 2 1 MET CA 49.9800 . 56.11 2.23 5.9799e-03 16063 1 1 1 2 1 MET CB 17.1400 A 32.99 2.24 1.4849e-12 16063 1 1 1 2 1 MET H 8.2400 . 8.26 0.6 9.7341e-01 16063 1 1 1 2 1 MET HA 4.9200 . 4.41 0.48 2.8801e-01 16063 1 1 1 2 1 MET HB2 1.1900 . 2.03 0.34 1.3489e-02 16063 1 1 1 2 1 MET HB3 1.1900 . 1.99 0.34 1.8626e-02 16063 1 1 1 2 1 MET N 125.1900 . 120.09 3.57 1.5313e-01 16063 1 1 1 2 53 PHE CA 58.8500 . 58.08 2.57 7.6447e-01 16063 1 1 1 2 53 PHE CB 42.6000 . 39.99 2.09 2.1174e-01 16063 1 1 1 2 53 PHE CD1 143.4500 A 131.58 1.18 8.3572e-24 16063 1 1 1 2 53 PHE H 9.4700 . 8.36 0.72 1.2315e-01 16063 1 1 1 2 53 PHE HA 4.8700 . 4.63 0.57 6.7372e-01 16063 1 1 1 2 53 PHE HB2 2.7200 . 3 0.37 4.4920e-01 16063 1 1 1 2 53 PHE HB3 3.0800 . 2.93 0.4 7.0766e-01 16063 1 1 1 2 53 PHE HD1 6.6700 . 7.06 0.31 2.0837e-01 16063 1 1 1 2 53 PHE HD2 6.6700 . 7.06 0.31 2.0837e-01 16063 1 1 1 2 53 PHE HE1 7.2000 . 7.08 0.31 6.9868e-01 16063 1 1 1 2 53 PHE HE2 7.2000 . 7.08 0.32 7.0766e-01 16063 1 1 1 2 53 PHE N 126.2400 . 120.45 4.18 1.6600e-01 16063 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 2 1 MET ALA 0.98 16063 1 1 1 2 1 MET CYS 0.01 16063 1 1 1 2 53 PHE CYS 0.8 16063 1 1 1 2 53 PHE GLY 0.13 16063 1 1 1 2 53 PHE TYR 0.06 16063 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16063 _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 16063 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16063 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16063 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16063 _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_