data_AVS_bmrb_pdb_report_17593 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17593 _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 28 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 17593 1 1 1 1 44 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 17593 1 1 1 1 46 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 17593 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 28 ARG C 176.440 . 176.41 2.03 9.8821e-01 17593 1 1 1 1 28 ARG CA 59.080 . 56.77 2.31 3.1731e-01 17593 1 1 1 1 28 ARG CB 30.104 . 30.7 1.83 7.4466e-01 17593 1 1 1 1 28 ARG CG 27.549 . 27.21 1.2 7.7756e-01 17593 1 1 1 1 28 ARG CD 43.260 . 43.16 0.88 9.0953e-01 17593 1 1 1 1 28 ARG H 8.450 . 8.24 0.61 7.3065e-01 17593 1 1 1 1 28 ARG HA 4.023 . 4.3 0.46 5.4706e-01 17593 1 1 1 1 28 ARG HB2 1.810 . 1.79 0.27 9.4095e-01 17593 1 1 1 1 28 ARG HB3 1.873 . 1.76 0.28 6.8653e-01 17593 1 1 1 1 28 ARG HG2 1.649 . 1.57 0.27 7.6983e-01 17593 1 1 1 1 28 ARG HG3 1.656 . 1.54 0.29 6.8916e-01 17593 1 1 1 1 28 ARG HD2 3.140 . 3.12 0.24 9.3359e-01 17593 1 1 1 1 28 ARG HD3 3.150 . 3.1 0.26 8.4750e-01 17593 1 1 1 1 28 ARG HE 7.048 . 7.4 0.63 5.7635e-01 17593 1 1 1 1 28 ARG N 119.778 . 120.8 3.68 7.8123e-01 17593 1 1 1 1 28 ARG NE 113.731 A 84.63 1.68 3.2087e-67 17593 1 1 1 1 44 ARG C 175.840 . 176.41 2.03 7.7887e-01 17593 1 1 1 1 44 ARG CA 57.660 . 56.77 2.31 7.0003e-01 17593 1 1 1 1 44 ARG CB 29.870 . 30.7 1.83 6.5015e-01 17593 1 1 1 1 44 ARG CG 26.819 . 27.21 1.2 7.4455e-01 17593 1 1 1 1 44 ARG CD 42.649 . 43.16 0.88 5.6145e-01 17593 1 1 1 1 44 ARG H 7.732 . 8.24 0.61 4.0497e-01 17593 1 1 1 1 44 ARG HA 4.022 . 4.3 0.46 5.4561e-01 17593 1 1 1 1 44 ARG HB2 1.567 . 1.79 0.27 4.0885e-01 17593 1 1 1 1 44 ARG HB3 1.708 . 1.76 0.28 8.5267e-01 17593 1 1 1 1 44 ARG HG2 1.315 . 1.57 0.27 3.4494e-01 17593 1 1 1 1 44 ARG HG3 1.329 . 1.54 0.29 4.6687e-01 17593 1 1 1 1 44 ARG HD2 2.565 . 3.12 0.24 2.0750e-02 17593 1 1 1 1 44 ARG HD3 2.565 . 3.1 0.26 3.9620e-02 17593 1 1 1 1 44 ARG HE 6.654 . 7.4 0.63 2.3636e-01 17593 1 1 1 1 44 ARG N 121.340 . 120.8 3.68 8.8334e-01 17593 1 1 1 1 44 ARG NE 114.484 A 84.63 1.68 1.2018e-70 17593 1 1 1 1 46 ARG C 174.090 . 176.41 2.03 2.5310e-01 17593 1 1 1 1 46 ARG CA 56.850 . 56.77 2.31 9.7237e-01 17593 1 1 1 1 46 ARG CB 30.210 . 30.7 1.83 7.8888e-01 17593 1 1 1 1 46 ARG CG 27.269 . 27.21 1.2 9.6079e-01 17593 1 1 1 1 46 ARG CD 43.199 . 43.16 0.88 9.6465e-01 17593 1 1 1 1 46 ARG H 7.737 . 8.24 0.61 4.0960e-01 17593 1 1 1 1 46 ARG HA 4.178 . 4.3 0.46 7.9084e-01 17593 1 1 1 1 46 ARG HB2 1.797 . 1.79 0.27 9.7932e-01 17593 1 1 1 1 46 ARG HB3 1.796 . 1.76 0.28 8.9770e-01 17593 1 1 1 1 46 ARG HG2 1.558 . 1.57 0.27 9.6455e-01 17593 1 1 1 1 46 ARG HG3 1.558 . 1.54 0.29 9.5051e-01 17593 1 1 1 1 46 ARG HD2 3.095 . 3.12 0.24 9.1704e-01 17593 1 1 1 1 46 ARG HD3 3.099 . 3.1 0.26 9.9693e-01 17593 1 1 1 1 46 ARG HE 7.084 . 7.4 0.63 6.1596e-01 17593 1 1 1 1 46 ARG N 120.922 . 120.8 3.68 9.7355e-01 17593 1 1 1 1 46 ARG NE 114.237 A 84.63 1.68 1.6345e-69 17593 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 28 ARG ARG 0.79 17593 1 1 1 1 28 ARG GLY 0.1 17593 1 1 1 1 28 ARG LYS 0.09 17593 1 1 1 1 44 ARG ARG 0.69 17593 1 1 1 1 44 ARG LYS 0.24 17593 1 1 1 1 44 ARG GLY 0.03 17593 1 1 1 1 44 ARG LEU 0.02 17593 1 1 1 1 46 ARG ARG 0.79 17593 1 1 1 1 46 ARG LYS 0.1 17593 1 1 1 1 46 ARG GLY 0.08 17593 1 1 1 1 46 ARG LEU 0.01 17593 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17593 _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 17593 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17593 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17593 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17593 _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_