data_AVS_bmrb_pdb_report_6166 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6166 _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 34 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 6166 1 1 1 1 38 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 6166 1 1 1 1 50 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 6166 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 34 ARG CA 54.7019 . 56.77 2.31 3.7064e-01 6166 1 1 1 1 34 ARG CB 33.3823 . 30.7 1.83 1.4272e-01 6166 1 1 1 1 34 ARG CG 27.8620 . 27.21 1.2 5.8690e-01 6166 1 1 1 1 34 ARG CD 43.9890 . 43.16 0.88 3.4617e-01 6166 1 1 1 1 34 ARG H 8.7098 . 8.24 0.61 4.4120e-01 6166 1 1 1 1 34 ARG HA 5.4249 . 4.3 0.46 1.4468e-02 6166 1 1 1 1 34 ARG HB2 1.8953 . 1.79 0.27 6.9654e-01 6166 1 1 1 1 34 ARG HB3 1.7686 . 1.76 0.28 9.7550e-01 6166 1 1 1 1 34 ARG HG2 1.7275 . 1.57 0.27 5.5967e-01 6166 1 1 1 1 34 ARG HG3 1.6346 . 1.54 0.29 7.4427e-01 6166 1 1 1 1 34 ARG HD2 3.1725 . 3.12 0.24 8.2684e-01 6166 1 1 1 1 34 ARG HD3 3.1725 . 3.1 0.26 7.8036e-01 6166 1 1 1 1 34 ARG HE 7.1875 . 7.4 0.63 7.3589e-01 6166 1 1 1 1 34 ARG N 118.8200 . 120.8 3.68 5.9055e-01 6166 1 1 1 1 34 ARG NE 105.5510 A 84.63 1.68 1.3473e-35 6166 1 1 1 1 38 ARG CA 54.7690 . 56.77 2.31 3.8636e-01 6166 1 1 1 1 38 ARG CB 34.4200 . 30.7 1.83 4.2074e-02 6166 1 1 1 1 38 ARG CG 27.1067 . 27.21 1.2 9.3140e-01 6166 1 1 1 1 38 ARG CD 43.6773 . 43.16 0.88 5.5664e-01 6166 1 1 1 1 38 ARG H 8.6153 . 8.24 0.61 5.3839e-01 6166 1 1 1 1 38 ARG HA 4.6745 . 4.3 0.46 4.1557e-01 6166 1 1 1 1 38 ARG HB2 1.8850 . 1.79 0.27 7.2495e-01 6166 1 1 1 1 38 ARG HB3 1.7365 . 1.76 0.28 9.3311e-01 6166 1 1 1 1 38 ARG HG2 1.7206 . 1.57 0.27 5.7700e-01 6166 1 1 1 1 38 ARG HG3 1.6133 . 1.54 0.29 8.0045e-01 6166 1 1 1 1 38 ARG HD2 3.2785 . 3.12 0.24 5.0899e-01 6166 1 1 1 1 38 ARG HD3 3.1245 . 3.1 0.26 9.2493e-01 6166 1 1 1 1 38 ARG HE 7.1020 . 7.4 0.63 6.3620e-01 6166 1 1 1 1 38 ARG N 120.4431 . 120.8 3.68 9.2274e-01 6166 1 1 1 1 38 ARG NE 105.4290 A 84.63 1.68 3.3385e-35 6166 1 1 1 1 50 ARG CA 54.8330 . 56.77 2.31 4.0173e-01 6166 1 1 1 1 50 ARG CB 34.5761 . 30.7 1.83 3.4168e-02 6166 1 1 1 1 50 ARG CG 27.3651 . 27.21 1.2 8.9716e-01 6166 1 1 1 1 50 ARG CD 43.7678 . 43.16 0.88 4.8977e-01 6166 1 1 1 1 50 ARG H 7.6680 . 8.24 0.61 3.4840e-01 6166 1 1 1 1 50 ARG HA 5.6031 . 4.3 0.46 4.6138e-03 6166 1 1 1 1 50 ARG HB2 1.8965 . 1.79 0.27 6.9325e-01 6166 1 1 1 1 50 ARG HB3 1.7706 . 1.76 0.28 9.6980e-01 6166 1 1 1 1 50 ARG HG2 1.6869 . 1.57 0.27 6.6504e-01 6166 1 1 1 1 50 ARG HG3 1.6128 . 1.54 0.29 8.0179e-01 6166 1 1 1 1 50 ARG HD2 3.1634 . 3.12 0.24 8.5650e-01 6166 1 1 1 1 50 ARG HD3 3.1634 . 3.1 0.26 8.0735e-01 6166 1 1 1 1 50 ARG HE 7.3460 . 7.4 0.63 9.3169e-01 6166 1 1 1 1 50 ARG N 119.2840 . 120.8 3.68 6.8037e-01 6166 1 1 1 1 50 ARG NE 105.8780 A 84.63 1.68 1.1532e-36 6166 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 34 ARG CYS 0.41 6166 1 1 1 1 34 ARG ARG 0.29 6166 1 1 1 1 34 ARG GLY 0.23 6166 1 1 1 1 34 ARG LYS 0.05 6166 1 1 1 1 38 ARG CYS 0.5 6166 1 1 1 1 38 ARG ARG 0.24 6166 1 1 1 1 38 ARG GLY 0.19 6166 1 1 1 1 38 ARG LYS 0.04 6166 1 1 1 1 50 ARG CYS 0.51 6166 1 1 1 1 50 ARG GLY 0.22 6166 1 1 1 1 50 ARG ARG 0.21 6166 1 1 1 1 50 ARG LYS 0.04 6166 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6166 _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 6166 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 6166 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 6166 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6166 _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_