data_AVS_bmrb_pdb_report_15881 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15881 _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 31 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 15881 1 1 1 1 34 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 15881 1 1 1 2 1 NAG UNSUPPORTED . . . . . . . 15881 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 31 ARG C 174.165 . 176.41 2.03 2.6876e-01 15881 1 1 1 1 31 ARG CA 53.651 . 56.77 2.31 1.7695e-01 15881 1 1 1 1 31 ARG CB 33.664 . 30.7 1.83 1.0530e-01 15881 1 1 1 1 31 ARG CG 27.003 . 27.21 1.2 8.6304e-01 15881 1 1 1 1 31 ARG CD 43.635 . 43.16 0.88 5.8935e-01 15881 1 1 1 1 31 ARG H 7.733 . 8.24 0.61 4.0589e-01 15881 1 1 1 1 31 ARG HA 4.411 . 4.3 0.46 8.0932e-01 15881 1 1 1 1 31 ARG HB2 2.413 . 1.79 0.27 2.1032e-02 15881 1 1 1 1 31 ARG HB3 1.986 . 1.76 0.28 4.1958e-01 15881 1 1 1 1 31 ARG HG2 1.776 . 1.57 0.27 4.4549e-01 15881 1 1 1 1 31 ARG HG3 1.649 . 1.54 0.29 7.0702e-01 15881 1 1 1 1 31 ARG HD2 3.337 . 3.12 0.24 3.6591e-01 15881 1 1 1 1 31 ARG HD3 2.932 . 3.1 0.26 5.1818e-01 15881 1 1 1 1 31 ARG HE 8.370 . 7.4 0.63 1.2364e-01 15881 1 1 1 1 31 ARG N 121.656 . 120.8 3.68 8.1607e-01 15881 1 1 1 1 31 ARG NE 121.662 A 84.63 1.68 0.0000e+00 15881 1 1 1 1 34 ARG C 174.088 . 176.41 2.03 2.5269e-01 15881 1 1 1 1 34 ARG CA 56.139 . 56.77 2.31 7.8473e-01 15881 1 1 1 1 34 ARG CB 36.603 . 30.7 1.83 1.2567e-03 15881 1 1 1 1 34 ARG CG 28.141 . 27.21 1.2 4.3785e-01 15881 1 1 1 1 34 ARG CD 44.679 . 43.16 0.88 8.4323e-02 15881 1 1 1 1 34 ARG H 7.748 . 8.24 0.61 4.1992e-01 15881 1 1 1 1 34 ARG HA 4.472 . 4.3 0.46 7.0847e-01 15881 1 1 1 1 34 ARG HB2 1.914 . 1.79 0.27 6.4605e-01 15881 1 1 1 1 34 ARG HB3 1.734 . 1.76 0.28 9.2602e-01 15881 1 1 1 1 34 ARG HG2 1.466 . 1.57 0.27 7.0010e-01 15881 1 1 1 1 34 ARG HG3 1.336 . 1.54 0.29 4.8178e-01 15881 1 1 1 1 34 ARG HD2 2.904 . 3.12 0.24 3.6812e-01 15881 1 1 1 1 34 ARG HD3 2.781 . 3.1 0.26 2.1985e-01 15881 1 1 1 1 34 ARG HE 6.109 . 7.4 0.63 4.0442e-02 15881 1 1 1 1 34 ARG N 117.878 . 120.8 3.68 4.2718e-01 15881 1 1 1 1 34 ARG NE 119.835 A 84.63 1.68 0.0000e+00 15881 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 31 ARG CYS 0.4 15881 1 1 1 1 31 ARG ARG 0.33 15881 1 1 1 1 31 ARG GLY 0.21 15881 1 1 1 1 31 ARG LYS 0.03 15881 1 1 1 1 34 ARG CYS 0.5 15881 1 1 1 1 34 ARG GLY 0.48 15881 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15881 _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 15881 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15881 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15881 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15881 _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_