data_AVS_bmrb_pdb_report_51123 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 51123 _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 1 134 ARG Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 51123 1 1 1 1 145 ARG Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 51123 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 1 134 ARG C 178.249 . 176.41 2.03 3.6498e-01 51123 1 1 1 1 134 ARG CA 60.736 . 56.77 2.31 8.6001e-02 51123 1 1 1 1 134 ARG CG 43.106 A 27.21 1.2 4.7169e-40 51123 1 1 1 1 134 ARG H 8.025 . 8.24 0.61 7.2449e-01 51123 1 1 1 1 134 ARG N 120.541 . 120.8 3.68 9.4389e-01 51123 1 1 1 1 145 ARG C 177.697 . 176.41 2.03 5.2609e-01 51123 1 1 1 1 145 ARG CA 60.692 . 56.77 2.31 8.9539e-02 51123 1 1 1 1 145 ARG CB 29.675 . 30.7 1.83 5.7540e-01 51123 1 1 1 1 145 ARG CG 43.739 A 27.21 1.2 3.6457e-43 51123 1 1 1 1 145 ARG H 8.690 . 8.24 0.61 4.6069e-01 51123 1 1 1 1 145 ARG HA 3.937 . 4.3 0.46 4.3004e-01 51123 1 1 1 1 145 ARG HD2 3.159 . 3.12 0.24 8.7091e-01 51123 1 1 1 1 145 ARG HD3 3.159 . 3.1 0.26 8.2048e-01 51123 1 1 1 1 145 ARG N 120.999 . 120.8 3.68 9.5687e-01 51123 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 1 134 ARG PHE 0.35 51123 1 1 1 1 134 ARG TYR 0.23 51123 1 1 1 1 134 ARG GLY 0.17 51123 1 1 1 1 134 ARG LYS 0.13 51123 1 1 1 1 134 ARG LEU 0.09 51123 1 1 1 1 145 ARG GLY 0.84 51123 1 1 1 1 145 ARG LYS 0.14 51123 1 1 1 1 145 ARG LEU 0.01 51123 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 51123 _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 51123 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 51123 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 51123 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 51123 _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_