data_AVS_bmrb_pdb_report_16150 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16150 _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 11 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16150 1 1 1 1 35 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16150 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 11 ARG CA 55.6 . 56.77 2.31 6.1251e-01 16150 1 1 1 1 11 ARG CB 32.0 . 30.7 1.83 4.7747e-01 16150 1 1 1 1 11 ARG CG 27.2 . 27.21 1.2 9.9335e-01 16150 1 1 1 1 11 ARG CD 43.2 . 43.16 0.88 9.6375e-01 16150 1 1 1 1 11 ARG H 8.95 . 8.24 0.61 2.4445e-01 16150 1 1 1 1 11 ARG HA 4.53 . 4.3 0.46 6.1707e-01 16150 1 1 1 1 11 ARG HB2 1.60 . 1.79 0.27 4.8162e-01 16150 1 1 1 1 11 ARG HB3 1.73 . 1.76 0.28 9.1468e-01 16150 1 1 1 1 11 ARG HG2 1.41 . 1.57 0.27 5.5345e-01 16150 1 1 1 1 11 ARG HG3 1.65 . 1.54 0.29 7.0446e-01 16150 1 1 1 1 11 ARG HD2 3.20 . 3.12 0.24 7.3888e-01 16150 1 1 1 1 11 ARG HD3 3.20 . 3.1 0.26 7.0052e-01 16150 1 1 1 1 11 ARG HE 7.30 . 7.4 0.63 8.7388e-01 16150 1 1 1 1 11 ARG N 122.0 . 120.8 3.68 7.4436e-01 16150 1 1 1 1 11 ARG NE 109.4 A 84.63 1.68 3.3603e-49 16150 1 1 1 1 35 ARG CA 55.5 . 56.77 2.31 5.8247e-01 16150 1 1 1 1 35 ARG CB 32.4 . 30.7 1.83 3.5291e-01 16150 1 1 1 1 35 ARG CG 27.1 . 27.21 1.2 9.2696e-01 16150 1 1 1 1 35 ARG CD 43.0 . 43.16 0.88 8.5573e-01 16150 1 1 1 1 35 ARG H 8.14 . 8.24 0.61 8.6978e-01 16150 1 1 1 1 35 ARG HA 4.58 . 4.3 0.46 5.4273e-01 16150 1 1 1 1 35 ARG HB2 1.62 . 1.79 0.27 5.2894e-01 16150 1 1 1 1 35 ARG HB3 1.98 . 1.76 0.28 4.3204e-01 16150 1 1 1 1 35 ARG HG2 1.50 . 1.57 0.27 7.9544e-01 16150 1 1 1 1 35 ARG HG3 1.50 . 1.54 0.29 8.9030e-01 16150 1 1 1 1 35 ARG HD2 3.16 . 3.12 0.24 8.6763e-01 16150 1 1 1 1 35 ARG HD3 3.21 . 3.1 0.26 6.7224e-01 16150 1 1 1 1 35 ARG HE 7.21 . 7.4 0.63 7.6297e-01 16150 1 1 1 1 35 ARG N 114.6 . 120.8 3.68 9.2031e-02 16150 1 1 1 1 35 ARG NE 109.9 A 84.63 1.68 3.9157e-51 16150 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 11 ARG ARG 0.47 16150 1 1 1 1 11 ARG CYS 0.36 16150 1 1 1 1 11 ARG LYS 0.1 16150 1 1 1 1 11 ARG GLY 0.05 16150 1 1 1 1 35 ARG ARG 0.45 16150 1 1 1 1 35 ARG CYS 0.36 16150 1 1 1 1 35 ARG LYS 0.13 16150 1 1 1 1 35 ARG GLY 0.04 16150 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16150 _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 16150 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16150 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16150 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16150 _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_