data_AVS_bmrb_pdb_report_17990 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17990 _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 1 LYS Anomalous Consistent Consistent Consistent Anomalous Indeterminable . . 17990 1 1 1 1 10 LYS Anomalous Consistent Consistent Consistent Anomalous Indeterminable . . 17990 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 1 LYS CA 63.39 A 56.84 2.25 3.6015e-03 17990 1 1 1 1 1 LYS H 7.292 . 8.22 0.64 1.4706e-01 17990 1 1 1 1 1 LYS HA 4.464 . 4.28 0.45 6.8262e-01 17990 1 1 1 1 1 LYS HB2 1.899 . 1.79 0.25 6.6284e-01 17990 1 1 1 1 1 LYS HB3 1.723 . 1.78 0.26 8.2647e-01 17990 1 1 1 1 1 LYS HG2 1.402 . 1.38 0.27 9.3506e-01 17990 1 1 1 1 1 LYS HG3 1.402 . 1.37 0.29 9.1214e-01 17990 1 1 1 1 1 LYS HD2 1.564 . 1.61 0.25 8.5401e-01 17990 1 1 1 1 1 LYS HD3 1.564 . 1.61 0.25 8.5401e-01 17990 1 1 1 1 10 LYS CA 63.72 A 56.84 2.25 2.2298e-03 17990 1 1 1 1 10 LYS H 7.971 . 8.22 0.64 6.9723e-01 17990 1 1 1 1 10 LYS HA 3.878 . 4.28 0.45 3.7168e-01 17990 1 1 1 1 10 LYS HB2 1.869 . 1.79 0.25 7.5200e-01 17990 1 1 1 1 10 LYS HB3 1.869 . 1.78 0.26 7.3212e-01 17990 1 1 1 1 10 LYS HG2 1.437 . 1.38 0.27 8.3280e-01 17990 1 1 1 1 10 LYS HG3 1.437 . 1.37 0.29 8.1729e-01 17990 1 1 1 1 10 LYS HD2 1.675 . 1.61 0.25 7.9486e-01 17990 1 1 1 1 10 LYS HD3 1.675 . 1.61 0.25 7.9486e-01 17990 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 1 LYS PRO 0.51 17990 1 1 1 1 1 LYS SER 0.42 17990 1 1 1 1 1 LYS PHE 0.03 17990 1 1 1 1 1 LYS TYR 0.02 17990 1 1 1 1 10 LYS SER 0.51 17990 1 1 1 1 10 LYS PRO 0.43 17990 1 1 1 1 10 LYS PHE 0.02 17990 1 1 1 1 10 LYS TYR 0.01 17990 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17990 _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 17990 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17990 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17990 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17990 _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_