data_AVS_bmrb_pdb_report_4911 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4911 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 4911 1 1 1 1 87 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 4911 1 1 1 1 87 LYS CA 54.4300 . 56.84 2.25 2.8412e-01 4911 1 1 1 1 87 LYS CB 37.4100 . 32.83 1.88 1.4844e-02 4911 1 1 1 1 87 LYS H 7.4840 . 8.22 0.64 2.5014e-01 4911 1 1 1 1 87 LYS HA 4.5600 . 4.28 0.45 5.3380e-01 4911 1 1 1 1 87 LYS HB2 -0.8400 M 1.79 0.25 6.9874e-26 4911 1 1 1 1 87 LYS HB3 0.9000 S 1.78 0.26 7.1278e-04 4911 1 1 1 1 87 LYS HG2 0.1400 S 1.38 0.27 4.3777e-06 4911 1 1 1 1 87 LYS HD2 0.7300 S 1.61 0.25 4.3155e-04 4911 1 1 1 1 87 LYS HE2 2.525 . 2.93 0.2 4.2867e-02 4911 1 1 1 1 87 LYS HE3 2.656 . 2.93 0.2 1.7069e-01 4911 1 1 1 1 87 LYS N 123.1200 . 121.16 4.11 6.3344e-01 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 4911 1 1 1 1 87 LYS ASN 0.29 4911 1 1 1 1 87 LYS CYS 0.25 4911 1 1 1 1 87 LYS TYR 0.12 4911 1 1 1 1 87 LYS GLU 0.1 4911 1 1 1 1 87 LYS PHE 0.07 4911 1 1 1 1 87 LYS ASP 0.06 4911 1 1 1 1 87 LYS MET 0.04 4911 1 1 1 1 87 LYS ILE 0.01 4911 1 1 1 1 87 LYS LYS 0.01 4911 1 1 1 1 87 LYS LEU 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4911 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 4911 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 4911 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 4911 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4911 _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_