data_AVS_bmrb_pdb_report_16114 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16114 _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 57 LYS Anomalous Suspicious Consistent Anomalous Anomalous Consistent . . 16114 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 57 LYS CA 51.928 . 56.84 2.25 2.9028e-02 16114 1 1 1 1 57 LYS CB 32.613 . 32.83 1.88 9.0811e-01 16114 1 1 1 1 57 LYS CG 26.776 . 24.91 1.31 1.5432e-01 16114 1 1 1 1 57 LYS CD 21.235 A 28.78 1.39 5.6971e-08 16114 1 1 1 1 57 LYS H 8.028 . 8.22 0.64 7.6418e-01 16114 1 1 1 1 57 LYS HA 4.609 . 4.28 0.45 4.6471e-01 16114 1 1 1 1 57 LYS HB2 1.867 . 1.79 0.25 7.5808e-01 16114 1 1 1 1 57 LYS HB3 1.764 . 1.78 0.26 9.5093e-01 16114 1 1 1 1 57 LYS HG2 3.128 A 1.38 0.27 9.5395e-11 16114 1 1 1 1 57 LYS HG3 3.034 A 1.37 0.29 9.5840e-09 16114 1 1 1 1 57 LYS HD2 1.471 . 1.61 0.25 5.7821e-01 16114 1 1 1 1 57 LYS HD3 1.382 . 1.61 0.25 3.6177e-01 16114 1 1 1 1 57 LYS N 118.995 . 121.16 4.11 5.9836e-01 16114 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 57 LYS ALA 0.96 16114 1 1 1 1 57 LYS MET 0.03 16114 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16114 _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 16114 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16114 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16114 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16114 _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_