data_AVS_bmrb_pdb_report_26046 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 26046 _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 38 LYS Anomalous Consistent Suspicious Anomalous Consistent Consistent "HA > HE2" 0.9935 26046 1 1 1 1 38 LYS . . . . . . "HA > HE3" 0.9935 26046 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 38 LYS CA 58.022 . 56.95 2.2 6.2606e-01 26046 1 1 1 1 38 LYS H 7.661 . 8.19 0.6 3.7796e-01 26046 1 1 1 1 38 LYS HA 4.134 . 4.27 0.44 7.5725e-01 26046 1 1 1 1 38 LYS HB2 1.855 . 1.78 0.25 7.6418e-01 26046 1 1 1 1 38 LYS HB3 1.748 . 1.74 0.27 9.7636e-01 26046 1 1 1 1 38 LYS HG2 1.416 . 1.37 0.26 8.5957e-01 26046 1 1 1 1 38 LYS HG3 1.416 . 1.35 0.28 8.1365e-01 26046 1 1 1 1 38 LYS HD2 1.494 . 1.61 0.22 5.9800e-01 26046 1 1 1 1 38 LYS HD3 1.494 . 1.6 0.22 6.2993e-01 26046 1 1 1 1 38 LYS HE2 7.344 A 2.92 0.19 0.0000e+00 26046 1 1 1 1 38 LYS HE3 7.344 A 2.91 0.2 0.0000e+00 26046 1 1 1 1 38 LYS N 127.347 . 121.05 3.77 9.4862e-02 26046 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 38 LYS PHE 0.15 26046 1 1 1 1 38 LYS TYR 0.15 26046 1 1 1 1 38 LYS CYS 0.14 26046 1 1 1 1 38 LYS GLU 0.11 26046 1 1 1 1 38 LYS SER 0.11 26046 1 1 1 1 38 LYS LYS 0.09 26046 1 1 1 1 38 LYS ARG 0.09 26046 1 1 1 1 38 LYS GLN 0.07 26046 1 1 1 1 38 LYS VAL 0.01 26046 1 1 1 1 38 LYS THR 0.01 26046 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 26046 _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 26046 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 26046 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 26046 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 26046 _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_