data_AVS_bmrb_pdb_report_30666 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 30666 _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 2 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 30666 1 1 1 1 10 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 30666 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 2 ARG CA 53.243 . 56.77 2.31 1.2680e-01 30666 1 1 1 1 2 ARG CB 28.348 . 30.7 1.83 1.9871e-01 30666 1 1 1 1 2 ARG CG 24.983 . 27.21 1.2 6.3478e-02 30666 1 1 1 1 2 ARG CD 40.490 . 43.16 0.88 2.4126e-03 30666 1 1 1 1 2 ARG H 7.686 . 8.24 0.61 3.6377e-01 30666 1 1 1 1 2 ARG HA 4.487 . 4.3 0.46 6.8436e-01 30666 1 1 1 1 2 ARG HB2 1.970 . 1.79 0.27 5.0499e-01 30666 1 1 1 1 2 ARG HB3 1.919 . 1.76 0.28 5.7013e-01 30666 1 1 1 1 2 ARG HG2 1.612 . 1.57 0.27 8.7638e-01 30666 1 1 1 1 2 ARG HG3 1.611 . 1.54 0.29 8.0659e-01 30666 1 1 1 1 2 ARG HD2 3.199 . 3.12 0.24 7.4203e-01 30666 1 1 1 1 2 ARG HD3 3.199 . 3.1 0.26 7.0337e-01 30666 1 1 1 1 2 ARG HE 7.359 . 7.4 0.63 9.4811e-01 30666 1 1 1 1 2 ARG N 120.588 . 120.8 3.68 9.5406e-01 30666 1 1 1 1 2 ARG NE 125.047 A 84.63 1.68 0.0000e+00 30666 1 1 1 1 10 ARG CA 52.280 . 56.77 2.31 5.1929e-02 30666 1 1 1 1 10 ARG CB 28.872 . 30.7 1.83 3.1784e-01 30666 1 1 1 1 10 ARG CG 24.242 . 27.21 1.2 1.3386e-02 30666 1 1 1 1 10 ARG CD 40.525 . 43.16 0.88 2.7506e-03 30666 1 1 1 1 10 ARG H 7.741 . 8.24 0.61 4.1334e-01 30666 1 1 1 1 10 ARG HA 4.503 . 4.3 0.46 6.5899e-01 30666 1 1 1 1 10 ARG HB2 1.687 . 1.79 0.27 7.0285e-01 30666 1 1 1 1 10 ARG HB3 1.687 . 1.76 0.28 7.9431e-01 30666 1 1 1 1 10 ARG HG2 1.442 . 1.57 0.27 6.3545e-01 30666 1 1 1 1 10 ARG HG3 1.329 . 1.54 0.29 4.6687e-01 30666 1 1 1 1 10 ARG HD2 3.093 . 3.12 0.24 9.1043e-01 30666 1 1 1 1 10 ARG HD3 3.093 . 3.1 0.26 9.7852e-01 30666 1 1 1 1 10 ARG HE 7.030 . 7.4 0.63 5.5700e-01 30666 1 1 1 1 10 ARG N 122.034 . 120.8 3.68 7.3738e-01 30666 1 1 1 1 10 ARG NE 125.087 A 84.63 1.68 0.0000e+00 30666 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 2 ARG CYS 0.55 30666 1 1 1 1 2 ARG LYS 0.43 30666 1 1 1 1 10 ARG CYS 0.6 30666 1 1 1 1 10 ARG LYS 0.39 30666 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 30666 _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 30666 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 30666 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 30666 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 30666 _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_