data_AVS_bmrb_pdb_report_50173 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 50173 _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 1 140 ASP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 50173 1 1 1 1 157 VAL Anomalous Consistent Consistent Consistent Anomalous Consistent . . 50173 1 1 1 2 1 GDP UNSUPPORTED . . . . . . . 50173 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 1 140 ASP C 183.032 A 176.4 1.75 1.5082e-04 50173 1 1 1 1 140 ASP CA 59.959 . 54.69 2.03 9.4435e-03 50173 1 1 1 1 140 ASP CB 42.378 . 40.88 1.62 3.5513e-01 50173 1 1 1 1 140 ASP H 9.360 . 8.31 0.58 7.0242e-02 50173 1 1 1 1 140 ASP N 119.774 . 120.65 3.86 8.2047e-01 50173 1 1 1 1 157 VAL C 179.789 . 175.62 1.9 2.8220e-02 50173 1 1 1 1 157 VAL CA 71.056 A 62.49 2.86 2.7435e-03 50173 1 1 1 1 157 VAL CB 33.376 . 32.73 1.79 7.1818e-01 50173 1 1 1 1 157 VAL H 7.695 . 8.29 0.67 3.7451e-01 50173 1 1 1 1 157 VAL N 123.248 . 121.14 4.54 6.4242e-01 50173 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 1 140 ASP PHE 0.21 50173 1 1 1 1 140 ASP LYS 0.18 50173 1 1 1 1 140 ASP TYR 0.15 50173 1 1 1 1 140 ASP ARG 0.14 50173 1 1 1 1 140 ASP CYS 0.12 50173 1 1 1 1 140 ASP ILE 0.08 50173 1 1 1 1 140 ASP LEU 0.06 50173 1 1 1 1 140 ASP GLY 0.01 50173 1 1 1 1 140 ASP ASP 0.01 50173 1 1 1 1 157 VAL VAL 0.93 50173 1 1 1 1 157 VAL CYS 0.05 50173 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 50173 _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 50173 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 50173 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 50173 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 50173 _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_