data_AVS_bmrb_pdb_report_17008 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17008 _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 8 LYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 17008 1 1 1 1 118 SER Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17008 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 8 LYS C 181.502 A 176.46 2.05 1.3913e-02 17008 1 1 1 1 8 LYS CA 57.330 . 56.84 2.25 8.2760e-01 17008 1 1 1 1 8 LYS CB 31.081 . 32.83 1.88 3.5221e-01 17008 1 1 1 1 8 LYS H 8.140 . 8.22 0.64 9.0052e-01 17008 1 1 1 1 8 LYS N 119.832 . 121.16 4.11 7.4661e-01 17008 1 1 1 1 118 SER C 178.450 . 174.53 1.73 2.3458e-02 17008 1 1 1 1 118 SER CA 64.023 . 58.57 2.12 1.0106e-02 17008 1 1 1 1 118 SER CB 63.218 . 63.8 1.57 7.1086e-01 17008 1 1 1 1 118 SER H 13.130 A 8.29 0.62 5.8821e-15 17008 1 1 1 1 118 SER HG 6.023 . 5.33 1.16 5.5023e-01 17008 1 1 1 1 118 SER N 128.600 . 116.3 3.95 1.8462e-03 17008 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 8 LYS ARG 0.14 17008 1 1 1 1 8 LYS TRP 0.13 17008 1 1 1 1 8 LYS CYS 0.13 17008 1 1 1 1 8 LYS GLU 0.12 17008 1 1 1 1 8 LYS HIS 0.12 17008 1 1 1 1 8 LYS MET 0.1 17008 1 1 1 1 8 LYS LYS 0.09 17008 1 1 1 1 8 LYS GLN 0.08 17008 1 1 1 1 8 LYS VAL 0.02 17008 1 1 1 1 8 LYS ILE 0.01 17008 1 1 1 1 118 SER SER 0.89 17008 1 1 1 1 118 SER THR 0.1 17008 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17008 _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 17008 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17008 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17008 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17008 _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_