data_AVS_bmrb_pdb_report_16161 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16161 _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 38 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HA > HB2" 0.9994 16161 1 1 1 1 38 ARG . . . . . . "HA > HD2" 0.9912 16161 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 38 ARG CA 58.667 . 56.95 2.41 4.7619e-01 16161 1 1 1 1 38 ARG CB 31.883 . 30.66 1.77 4.8959e-01 16161 1 1 1 1 38 ARG H 7.750 . 8.24 0.6 4.1412e-01 16161 1 1 1 1 38 ARG HA 1.777 A 4.27 0.44 1.4625e-08 16161 1 1 1 1 38 ARG HB2 1.889 . 1.79 0.28 7.2366e-01 16161 1 1 1 1 38 ARG HB3 1.294 . 1.78 0.28 8.2614e-02 16161 1 1 1 1 38 ARG HG2 1.509 . 1.58 0.27 7.9258e-01 16161 1 1 1 1 38 ARG HG3 1.506 . 1.58 0.27 7.8403e-01 16161 1 1 1 1 38 ARG HD2 3.130 . 3.13 0.23 1.0000e+00 16161 1 1 1 1 38 ARG HD3 3.130 . 3.13 0.22 1.0000e+00 16161 1 1 1 1 38 ARG N 121.116 . 120.61 3.9 8.9677e-01 16161 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 38 ARG CYS 0.2 16161 1 1 1 1 38 ARG LYS 0.14 16161 1 1 1 1 38 ARG ARG 0.13 16161 1 1 1 1 38 ARG MET 0.12 16161 1 1 1 1 38 ARG GLU 0.11 16161 1 1 1 1 38 ARG HIS 0.09 16161 1 1 1 1 38 ARG VAL 0.09 16161 1 1 1 1 38 ARG GLN 0.05 16161 1 1 1 1 38 ARG ILE 0.02 16161 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16161 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 1.4 _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 16161 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16161 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16161 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16161 _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_