data_AVS_bmrb_pdb_report_19954 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19954 _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 55 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 19954 1 1 1 1 81 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19954 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 55 ARG CA 56.284 . 56.77 2.31 8.3336e-01 19954 1 1 1 1 55 ARG CB 28.294 . 30.7 1.83 1.8859e-01 19954 1 1 1 1 55 ARG CD 40.977 . 43.16 0.88 1.3113e-02 19954 1 1 1 1 55 ARG H 7.918 . 8.24 0.61 5.9759e-01 19954 1 1 1 1 55 ARG HA 4.176 . 4.3 0.46 7.8749e-01 19954 1 1 1 1 55 ARG HB2 1.594 . 1.79 0.27 4.6788e-01 19954 1 1 1 1 55 ARG HB3 1.759 . 1.76 0.28 9.9715e-01 19954 1 1 1 1 55 ARG HG2 0.657 S 1.57 0.27 7.2096e-04 19954 1 1 1 1 55 ARG HG3 0.790 . 1.54 0.29 9.7039e-03 19954 1 1 1 1 55 ARG HD2 2.871 . 3.12 0.24 2.9950e-01 19954 1 1 1 1 55 ARG HD3 3.040 . 3.1 0.26 8.1749e-01 19954 1 1 1 1 55 ARG HE 7.648 . 7.4 0.63 6.9384e-01 19954 1 1 1 1 55 ARG N 114.874 . 120.8 3.68 1.0733e-01 19954 1 1 1 1 55 ARG NE 110.237 A 84.63 1.68 1.8534e-52 19954 1 1 1 1 81 ARG CA 55.137 . 56.77 2.31 4.7961e-01 19954 1 1 1 1 81 ARG H 7.475 . 8.24 0.61 2.0981e-01 19954 1 1 1 1 81 ARG HA 4.093 . 4.3 0.46 6.5271e-01 19954 1 1 1 1 81 ARG HB2 1.818 . 1.79 0.27 9.1740e-01 19954 1 1 1 1 81 ARG HB3 1.818 . 1.76 0.28 8.3590e-01 19954 1 1 1 1 81 ARG HE 7.687 . 7.4 0.63 6.4871e-01 19954 1 1 1 1 81 ARG N 120.210 . 120.8 3.68 8.7262e-01 19954 1 1 1 1 81 ARG NE 107.901 A 84.63 1.68 1.2409e-43 19954 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 55 ARG CYS 0.33 19954 1 1 1 1 55 ARG LYS 0.32 19954 1 1 1 1 55 ARG LEU 0.24 19954 1 1 1 1 55 ARG ILE 0.07 19954 1 1 1 1 55 ARG ARG 0.02 19954 1 1 1 1 81 ARG ASP 0.12 19954 1 1 1 1 81 ARG LEU 0.12 19954 1 1 1 1 81 ARG MET 0.1 19954 1 1 1 1 81 ARG HIS 0.08 19954 1 1 1 1 81 ARG GLN 0.07 19954 1 1 1 1 81 ARG ARG 0.07 19954 1 1 1 1 81 ARG LYS 0.06 19954 1 1 1 1 81 ARG ASN 0.06 19954 1 1 1 1 81 ARG CYS 0.05 19954 1 1 1 1 81 ARG TRP 0.05 19954 1 1 1 1 81 ARG ALA 0.04 19954 1 1 1 1 81 ARG GLU 0.04 19954 1 1 1 1 81 ARG PHE 0.03 19954 1 1 1 1 81 ARG TYR 0.03 19954 1 1 1 1 81 ARG SER 0.01 19954 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19954 _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 19954 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19954 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19954 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19954 _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_