data_AVS_bmrb_pdb_report_17166 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17166 _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 27 PRO Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 17166 1 1 1 1 85 PRO Anomalous Consistent Consistent Consistent Consistent Anomalous . . 17166 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 27 PRO C 178.517 . 176.7 1.69 2.8231e-01 17166 1 1 1 1 27 PRO CA 64.517 . 63.3 1.64 4.5804e-01 17166 1 1 1 1 27 PRO CB 31.501 . 31.81 1.54 8.4097e-01 17166 1 1 1 1 27 PRO CG 27.168 . 27.14 1.18 9.8107e-01 17166 1 1 1 1 27 PRO CD 50.272 . 50.28 1.04 9.9386e-01 17166 1 1 1 1 27 PRO HA 4.054 . 4.41 0.36 3.2272e-01 17166 1 1 1 1 27 PRO HB2 2.180 . 2.05 0.39 7.3888e-01 17166 1 1 1 1 27 PRO HB3 1.935 . 2.05 0.39 7.6809e-01 17166 1 1 1 1 27 PRO HG2 1.908 . 1.93 0.36 9.5127e-01 17166 1 1 1 1 27 PRO HG3 1.784 . 1.92 0.37 7.1320e-01 17166 1 1 1 1 27 PRO HD2 3.095 . 3.64 0.36 1.3005e-01 17166 1 1 1 1 27 PRO HD3 2.280 S 3.63 0.4 7.3816e-04 17166 1 1 1 1 27 PRO N 103.905 A 127.4 10.05 1.9397e-02 17166 1 1 1 1 85 PRO C 176.280 . 176.7 1.69 8.0373e-01 17166 1 1 1 1 85 PRO CA 63.039 . 63.3 1.64 8.7355e-01 17166 1 1 1 1 85 PRO CB 32.402 . 31.81 1.54 7.0067e-01 17166 1 1 1 1 85 PRO CG 27.160 . 27.14 1.18 9.8648e-01 17166 1 1 1 1 85 PRO CD 50.333 . 50.28 1.04 9.5936e-01 17166 1 1 1 1 85 PRO HA 4.621 . 4.41 0.36 5.5780e-01 17166 1 1 1 1 85 PRO HB2 1.918 . 2.05 0.39 7.3502e-01 17166 1 1 1 1 85 PRO HB3 1.476 . 2.05 0.39 1.4108e-01 17166 1 1 1 1 85 PRO HG2 1.933 . 1.93 0.36 9.9335e-01 17166 1 1 1 1 85 PRO HG3 1.850 . 1.92 0.37 8.4994e-01 17166 1 1 1 1 85 PRO HD2 3.603 . 3.64 0.36 9.1814e-01 17166 1 1 1 1 85 PRO HD3 3.725 . 3.63 0.4 8.1227e-01 17166 1 1 1 1 85 PRO N 101.071 A 127.4 10.05 8.7981e-03 17166 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 27 PRO PRO 0.89 17166 1 1 1 1 27 PRO CYS 0.09 17166 1 1 1 1 85 PRO PRO 0.79 17166 1 1 1 1 85 PRO CYS 0.2 17166 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17166 _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 17166 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17166 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17166 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17166 _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_