data_AVS_bmrb_pdb_report_17077 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17077 _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 1 116 ARG Anomalous Consistent Consistent Consistent Suspicious Anomalous . . 17077 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 1 116 ARG C 179.761 . 176.41 2.03 9.8792e-02 17077 1 1 1 1 116 ARG CA 61.471 . 56.77 2.31 4.1844e-02 17077 1 1 1 1 116 ARG CB 29.997 . 30.7 1.83 7.0086e-01 17077 1 1 1 1 116 ARG CG 31.610 S 27.21 1.2 2.4573e-04 17077 1 1 1 1 116 ARG CD 43.347 . 43.16 0.88 8.3172e-01 17077 1 1 1 1 116 ARG H 8.748 . 8.24 0.61 4.0497e-01 17077 1 1 1 1 116 ARG HA 3.842 . 4.3 0.46 3.1942e-01 17077 1 1 1 1 116 ARG HB2 1.835 . 1.79 0.27 8.6763e-01 17077 1 1 1 1 116 ARG HB3 1.900 . 1.76 0.28 6.1707e-01 17077 1 1 1 1 116 ARG HG2 1.492 . 1.57 0.27 7.7267e-01 17077 1 1 1 1 116 ARG HG3 2.100 . 1.54 0.29 5.3479e-02 17077 1 1 1 1 116 ARG HD2 3.224 . 3.12 0.24 6.6477e-01 17077 1 1 1 1 116 ARG HD3 3.131 . 3.1 0.26 9.0509e-01 17077 1 1 1 1 116 ARG HE 8.987 . 7.4 0.63 1.1767e-02 17077 1 1 1 1 116 ARG N 117.596 . 120.8 3.68 3.8394e-01 17077 1 1 1 1 116 ARG NE 108.319 A 84.63 1.68 3.7658e-45 17077 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 1 116 ARG CYS 0.75 17077 1 1 1 1 116 ARG GLY 0.16 17077 1 1 1 1 116 ARG LYS 0.08 17077 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17077 _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 17077 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17077 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17077 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17077 _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_