data_AVS_bmrb_pdb_report_7203 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 7203 _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 7203 1 1 1 1 26 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 7203 1 1 1 1 26 LYS CA 56.888 . 56.84 2.25 9.8298e-01 7203 1 1 1 1 26 LYS CB 32.567 . 32.83 1.88 8.8874e-01 7203 1 1 1 1 26 LYS H 8.012 . 8.22 0.64 7.4518e-01 7203 1 1 1 1 26 LYS HA 3.808 . 4.28 0.45 2.9423e-01 7203 1 1 1 1 26 LYS HB2 1.124 . 1.79 0.25 7.7218e-03 7203 1 1 1 1 26 LYS HB3 1.029 . 1.78 0.26 3.8713e-03 7203 1 1 1 1 26 LYS HG2 0.776 . 1.38 0.27 2.5284e-02 7203 1 1 1 1 26 LYS HG3 -0.412 S 1.37 0.29 8.0050e-10 7203 1 1 1 1 26 LYS HD2 0.491 S 1.61 0.25 7.6054e-06 7203 1 1 1 1 26 LYS HD3 0.141 M 1.61 0.25 4.2030e-09 7203 1 1 1 1 26 LYS HE2 1.849 S 2.93 0.2 6.4808e-08 7203 1 1 1 1 26 LYS HE3 1.751 S 2.93 0.2 3.7468e-09 7203 1 1 1 1 26 LYS N 120.912 . 121.16 4.11 9.5188e-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 7203 1 1 1 1 26 LYS LYS 0.17 7203 1 1 1 1 26 LYS CYS 0.17 7203 1 1 1 1 26 LYS MET 0.16 7203 1 1 1 1 26 LYS GLN 0.1 7203 1 1 1 1 26 LYS ARG 0.09 7203 1 1 1 1 26 LYS TRP 0.09 7203 1 1 1 1 26 LYS HIS 0.08 7203 1 1 1 1 26 LYS GLU 0.06 7203 1 1 1 1 26 LYS VAL 0.03 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 7203 _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 7203 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 7203 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 7203 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 7203 _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_