data_AVS_bmrb_pdb_report_15270 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15270 _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 15270 1 1 1 1 114 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 15270 1 1 1 1 114 LYS C 175.904 . 176.46 2.05 7.8622e-01 15270 1 1 1 1 114 LYS CA 53.831 . 56.84 2.25 1.8111e-01 15270 1 1 1 1 114 LYS CB 32.422 . 32.83 1.88 8.2819e-01 15270 1 1 1 1 114 LYS CG 24.660 . 24.91 1.31 8.4865e-01 15270 1 1 1 1 114 LYS CD 29.151 . 28.78 1.39 7.8954e-01 15270 1 1 1 1 114 LYS CE 41.456 . 41.78 0.98 7.4094e-01 15270 1 1 1 1 114 LYS H 8.608 . 8.22 0.64 5.4435e-01 15270 1 1 1 1 114 LYS HA 4.664 . 4.28 0.45 3.9347e-01 15270 1 1 1 1 114 LYS HB2 0.780 S 1.79 0.25 5.3451e-05 15270 1 1 1 1 114 LYS HB3 -0.968 M 1.78 0.26 4.1388e-26 15270 1 1 1 1 114 LYS HG2 -0.462 S 1.38 0.27 8.9643e-12 15270 1 1 1 1 114 LYS HG3 0.415 S 1.37 0.29 9.9088e-04 15270 1 1 1 1 114 LYS HD2 0.874 . 1.61 0.25 3.2400e-03 15270 1 1 1 1 114 LYS HD3 0.784 S 1.61 0.25 9.5316e-04 15270 1 1 1 1 114 LYS HE2 2.170 S 2.93 0.2 1.4470e-04 15270 1 1 1 1 114 LYS HE3 2.265 S 2.93 0.2 8.8419e-04 15270 1 1 1 1 114 LYS N 129.570 . 121.16 4.11 4.0734e-02 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 15270 1 1 1 1 114 LYS LYS 0.5 15270 1 1 1 1 114 LYS CYS 0.33 15270 1 1 1 1 114 LYS ARG 0.11 15270 1 1 1 1 114 LYS MET 0.04 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15270 _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 15270 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 15270 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15270 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15270 _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_