data_AVS_bmrb_pdb_report_16936 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16936 _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 24 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 16936 1 1 1 2 6 5CM UNSUPPORTED . . . . . . . 16936 1 1 1 2 1 DG UNSUPPORTED . . . . . . . 16936 1 1 1 2 2 DG UNSUPPORTED . . . . . . . 16936 1 1 1 2 3 DA UNSUPPORTED . . . . . . . 16936 1 1 1 2 4 DA UNSUPPORTED . . . . . . . 16936 1 1 1 2 5 DT UNSUPPORTED . . . . . . . 16936 1 1 1 2 7 DG UNSUPPORTED . . . . . . . 16936 1 1 1 2 8 DG UNSUPPORTED . . . . . . . 16936 1 1 1 2 9 DC UNSUPPORTED . . . . . . . 16936 1 1 1 2 1 DC1 UNSUPPORTED . . . . . . . 16936 1 1 1 3 5 5CM UNSUPPORTED . . . . . . . 16936 1 1 1 3 1 DG UNSUPPORTED . . . . . . . 16936 1 1 1 3 2 DA UNSUPPORTED . . . . . . . 16936 1 1 1 3 3 DG UNSUPPORTED . . . . . . . 16936 1 1 1 3 4 DC UNSUPPORTED . . . . . . . 16936 1 1 1 3 6 DG UNSUPPORTED . . . . . . . 16936 1 1 1 3 7 DA UNSUPPORTED . . . . . . . 16936 1 1 1 3 8 DT UNSUPPORTED . . . . . . . 16936 1 1 1 3 9 THY UNSUPPORTED . . . . . . . 16936 1 1 1 3 1 DC1 UNSUPPORTED . . . . . . . 16936 1 1 1 4 1 MN UNSUPPORTED . . . . . . . 16936 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 24 ARG C 179.1888 . 176.49 2.16 2.1150e-01 16936 1 1 1 1 24 ARG CA 58.1981 . 56.95 2.41 6.0454e-01 16936 1 1 1 1 24 ARG CB 30.8974 . 30.66 1.77 8.9330e-01 16936 1 1 1 1 24 ARG CG 27.5344 . 27.31 1.65 8.9182e-01 16936 1 1 1 1 24 ARG CD 44.5160 . 43.1 1.1 1.9800e-01 16936 1 1 1 1 24 ARG H 9.3375 . 8.24 0.6 6.7375e-02 16936 1 1 1 1 24 ARG HA 4.6317 . 4.27 0.44 4.1105e-01 16936 1 1 1 1 24 ARG HB2 1.8134 . 1.79 0.28 9.3340e-01 16936 1 1 1 1 24 ARG HB3 1.8134 . 1.78 0.28 9.0505e-01 16936 1 1 1 1 24 ARG HG2 1.9890 . 1.58 0.27 1.2982e-01 16936 1 1 1 1 24 ARG HG3 1.9890 . 1.58 0.27 1.2982e-01 16936 1 1 1 1 24 ARG HD2 2.9650 . 3.13 0.23 4.7313e-01 16936 1 1 1 1 24 ARG HD3 3.0570 . 3.13 0.22 7.4003e-01 16936 1 1 1 1 24 ARG HE 9.713 S 7.32 0.52 4.1861e-06 16936 1 1 1 1 24 ARG HH11 7.592 . 6.74 0.31 5.9889e-03 16936 1 1 1 1 24 ARG HH12 7.801 . 6.75 0.32 1.0221e-03 16936 1 1 1 1 24 ARG N 128.1281 . 120.61 3.9 5.3890e-02 16936 1 1 1 1 24 ARG NE 85.286 . 89.8 12.83 7.2496e-01 16936 1 1 1 1 24 ARG NH1 68.976 A 74.78 11.38 6.1004e-01 16936 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 24 ARG CYS 0.39 16936 1 1 1 1 24 ARG ARG 0.33 16936 1 1 1 1 24 ARG GLY 0.25 16936 1 1 1 1 24 ARG LYS 0.01 16936 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16936 _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 16936 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16936 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16936 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16936 _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_