data_AVS_bmrb_pdb_report_11592 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11592 _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 11 SER Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11592 1 1 1 1 55 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 11592 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 11 SER C 175.141 . 174.62 1.72 7.6196e-01 11592 1 1 1 1 11 SER CA 59.963 . 58.72 2.07 5.4818e-01 11592 1 1 1 1 11 SER CB 59.721 . 63.8 1.48 5.8498e-03 11592 1 1 1 1 11 SER H 7.82 . 8.28 0.59 4.3559e-01 11592 1 1 1 1 11 SER HA 3.558 . 4.48 0.4 2.1167e-02 11592 1 1 1 1 11 SER HB2 1.445 A 3.88 0.25 2.0355e-22 11592 1 1 1 1 11 SER HB3 3.034 . 3.85 0.27 2.5093e-03 11592 1 1 1 1 11 SER N 115.767 . 116.28 3.52 8.8413e-01 11592 1 1 1 1 55 ARG C 174.326 . 176.41 2.03 3.0461e-01 11592 1 1 1 1 55 ARG CA 54.378 . 56.77 2.31 3.0044e-01 11592 1 1 1 1 55 ARG CB 34.484 . 30.7 1.83 3.8663e-02 11592 1 1 1 1 55 ARG CG 26.906 . 27.21 1.2 8.0001e-01 11592 1 1 1 1 55 ARG H 7.576 . 8.24 0.61 2.7636e-01 11592 1 1 1 1 55 ARG HA 5.217 . 4.3 0.46 4.6209e-02 11592 1 1 1 1 55 ARG HB2 1.741 . 1.79 0.27 8.5599e-01 11592 1 1 1 1 55 ARG HB3 1.481 . 1.76 0.28 3.1904e-01 11592 1 1 1 1 55 ARG HE 8.516 . 7.4 0.63 7.6490e-02 11592 1 1 1 1 55 ARG N 121.916 . 120.8 3.68 7.6169e-01 11592 1 1 1 1 55 ARG NE 134.819 A 84.63 1.68 0.0000e+00 11592 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 11 SER SER 0.99 11592 1 1 1 1 55 ARG GLN 0.51 11592 1 1 1 1 55 ARG ARG 0.19 11592 1 1 1 1 55 ARG LYS 0.18 11592 1 1 1 1 55 ARG GLU 0.09 11592 1 1 1 1 55 ARG ILE 0.01 11592 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11592 _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 11592 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11592 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11592 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11592 _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_