data_AVS_bmrb_pdb_report_7324 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 7324 _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 7324 1 1 1 1 60 LYS Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 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 7324 1 1 1 1 60 LYS C 181.188 . 176.46 2.05 2.1092e-02 7324 1 1 1 1 60 LYS CA 60.129 . 56.84 2.25 1.4380e-01 7324 1 1 1 1 60 LYS CB 34.513 . 32.83 1.88 3.7067e-01 7324 1 1 1 1 60 LYS CD 25.817 . 28.78 1.39 3.3035e-02 7324 1 1 1 1 60 LYS H 8.679 . 8.22 0.64 4.7326e-01 7324 1 1 1 1 60 LYS HA 4.080 . 4.28 0.45 6.5672e-01 7324 1 1 1 1 60 LYS HB2 2.095 . 1.79 0.25 2.2246e-01 7324 1 1 1 1 60 LYS HB3 1.976 . 1.78 0.26 4.5094e-01 7324 1 1 1 1 60 LYS HG2 0.966 . 1.38 0.27 1.2519e-01 7324 1 1 1 1 60 LYS HG3 0.949 . 1.37 0.29 1.4658e-01 7324 1 1 1 1 60 LYS HD2 1.424 . 1.61 0.25 4.5688e-01 7324 1 1 1 1 60 LYS HD3 1.391 . 1.61 0.25 3.8103e-01 7324 1 1 1 1 60 LYS HE2 3.619 S 2.93 0.2 5.7106e-04 7324 1 1 1 1 60 LYS N 137.023 M 121.16 4.11 1.1357e-04 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 7324 1 1 1 1 60 LYS CYS 0.55 7324 1 1 1 1 60 LYS ILE 0.14 7324 1 1 1 1 60 LYS GLN 0.08 7324 1 1 1 1 60 LYS ARG 0.04 7324 1 1 1 1 60 LYS LYS 0.04 7324 1 1 1 1 60 LYS GLU 0.03 7324 1 1 1 1 60 LYS PRO 0.03 7324 1 1 1 1 60 LYS VAL 0.03 7324 1 1 1 1 60 LYS MET 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 7324 _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 7324 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 7324 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 7324 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 7324 _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_