data_AVS_bmrb_pdb_report_30322 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 30322 _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 1 181 PHE Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD1 > HA" 0.9976 30322 1 1 1 1 181 PHE . . . . . . "HD2 > HA" 0.9977 30322 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 1 181 PHE CA 54.516 . 58.08 2.57 1.6551e-01 30322 1 1 1 1 181 PHE CB 41.932 . 39.99 2.09 3.5279e-01 30322 1 1 1 1 181 PHE CD1 133.743 . 131.58 1.18 6.6795e-02 30322 1 1 1 1 181 PHE CD2 133.743 . 131.63 1.12 5.9213e-02 30322 1 1 1 1 181 PHE H 9.497 . 8.36 0.72 1.1430e-01 30322 1 1 1 1 181 PHE HA 5.082 . 4.63 0.57 4.2779e-01 30322 1 1 1 1 181 PHE HB2 1.118 S 3 0.37 3.6476e-07 30322 1 1 1 1 181 PHE HB3 2.316 . 2.93 0.4 1.2478e-01 30322 1 1 1 1 181 PHE HD1 4.503 A 7.06 0.31 1.6055e-16 30322 1 1 1 1 181 PHE HD2 4.503 A 7.06 0.31 1.6055e-16 30322 1 1 1 1 181 PHE N 121.134 . 120.45 4.18 8.7002e-01 30322 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 1 181 PHE TYR 0.59 30322 1 1 1 1 181 PHE CYS 0.29 30322 1 1 1 1 181 PHE PHE 0.08 30322 1 1 1 1 181 PHE GLY 0.02 30322 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 30322 _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 30322 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 30322 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 30322 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 30322 _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_