data_AVS_bmrb_pdb_report_15820 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15820 _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 52 TYR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15820 1 1 1 1 60 ARG Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 15820 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 52 TYR C 169.158 A 175.39 1.89 9.7600e-04 15820 1 1 1 1 52 TYR CA 56.606 . 58.02 2.64 5.9223e-01 15820 1 1 1 1 52 TYR CB 39.350 . 39.16 2.23 9.3210e-01 15820 1 1 1 1 52 TYR H 7.546 . 8.37 0.75 2.7191e-01 15820 1 1 1 1 52 TYR N 120.247 . 120.79 4.69 9.0783e-01 15820 1 1 1 1 60 ARG C 172.565 . 176.49 2.16 6.9197e-02 15820 1 1 1 1 60 ARG CA 54.125 . 56.95 2.41 2.4112e-01 15820 1 1 1 1 60 ARG CB 23.730 A 30.66 1.77 9.0309e-05 15820 1 1 1 1 60 ARG H 8.007 . 8.24 0.6 6.9777e-01 15820 1 1 1 1 60 ARG N 116.959 . 120.61 3.9 3.4919e-01 15820 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 52 TYR TYR 0.23 15820 1 1 1 1 52 TYR PHE 0.21 15820 1 1 1 1 52 TYR CYS 0.19 15820 1 1 1 1 52 TYR ASP 0.12 15820 1 1 1 1 52 TYR LEU 0.06 15820 1 1 1 1 52 TYR ASN 0.06 15820 1 1 1 1 52 TYR ILE 0.05 15820 1 1 1 1 52 TYR GLU 0.02 15820 1 1 1 1 52 TYR LYS 0.01 15820 1 1 1 1 60 ARG LEU 0.52 15820 1 1 1 1 60 ARG LYS 0.21 15820 1 1 1 1 60 ARG CYS 0.13 15820 1 1 1 1 60 ARG MET 0.07 15820 1 1 1 1 60 ARG ALA 0.02 15820 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15820 _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 15820 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15820 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15820 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15820 _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_