data_AVS_bmrb_pdb_report_25242 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25242 _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 1 205 TYR Anomalous Consistent Consistent Anomalous Duplicate Duplicate . . 25242 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 1 205 TYR CA 57.242 D 58.13 2.51 7.2350e-01 25242 1 1 1 1 205 TYR H 9.475 D 8.32 0.73 1.1361e-01 25242 1 1 1 1 205 TYR HA 5.539 D 4.63 0.56 1.0454e-01 25242 1 1 1 1 205 TYR HD1 7.109 D 6.93 0.3 5.5073e-01 25242 1 1 1 1 205 TYR HD2 7.109 D 6.93 0.3 5.5073e-01 25242 1 1 1 1 205 TYR HE1 6.823 D 6.7 0.23 5.9280e-01 25242 1 1 1 1 205 TYR HE2 6.823 D 6.71 0.23 6.2321e-01 25242 1 1 1 1 205 TYR HH -0.788 A 9.3 1.36 1.1922e-13 25242 1 1 1 1 205 TYR N 126.174 D 120.52 4.2 1.7824e-01 25242 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 1 205 TYR GLU 0.1 25242 1 1 1 1 205 TYR LYS 0.09 25242 1 1 1 1 205 TYR TRP 0.09 25242 1 1 1 1 205 TYR ARG 0.08 25242 1 1 1 1 205 TYR HIS 0.08 25242 1 1 1 1 205 TYR GLN 0.08 25242 1 1 1 1 205 TYR CYS 0.08 25242 1 1 1 1 205 TYR PHE 0.07 25242 1 1 1 1 205 TYR TYR 0.07 25242 1 1 1 1 205 TYR MET 0.06 25242 1 1 1 1 205 TYR SER 0.05 25242 1 1 1 1 205 TYR LEU 0.04 25242 1 1 1 1 205 TYR ASP 0.02 25242 1 1 1 1 205 TYR ILE 0.01 25242 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25242 _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 25242 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25242 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25242 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25242 _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_