data_AVS_bmrb_pdb_report_16072 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16072 _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 Anomalous Consistent Consistent . . 16072 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 179.4 . 176.46 2.05 1.5153e-01 16072 1 1 1 1 8 LYS CA 59.0 . 56.84 2.25 3.3706e-01 16072 1 1 1 1 8 LYS CB 32.4 . 32.83 1.88 8.1908e-01 16072 1 1 1 1 8 LYS CG 23.9 . 24.91 1.31 4.4071e-01 16072 1 1 1 1 8 LYS CD 29.6 . 28.78 1.39 5.5524e-01 16072 1 1 1 1 8 LYS CE 41.4 . 41.78 0.98 6.9820e-01 16072 1 1 1 1 8 LYS H 7.75 . 8.22 0.64 4.6272e-01 16072 1 1 1 1 8 LYS HA 3.57 . 4.28 0.45 1.1462e-01 16072 1 1 1 1 8 LYS HB2 0.80 S 1.79 0.25 7.4950e-05 16072 1 1 1 1 8 LYS HB3 1.37 . 1.78 0.26 1.1481e-01 16072 1 1 1 1 8 LYS HG2 0.36 S 1.38 0.27 1.5823e-04 16072 1 1 1 1 8 LYS HG3 -0.93 A 1.37 0.29 2.1733e-15 16072 1 1 1 1 8 LYS HD2 0.50 S 1.61 0.25 8.9959e-06 16072 1 1 1 1 8 LYS HD3 0.91 . 1.61 0.25 5.1103e-03 16072 1 1 1 1 8 LYS HE2 1.67 S 2.93 0.2 2.9765e-10 16072 1 1 1 1 8 LYS HE3 2.02 S 2.93 0.2 5.3646e-06 16072 1 1 1 1 8 LYS N 119.7 . 121.16 4.11 7.2242e-01 16072 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 CYS 0.42 16072 1 1 1 1 8 LYS LYS 0.41 16072 1 1 1 1 8 LYS ARG 0.09 16072 1 1 1 1 8 LYS MET 0.05 16072 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16072 _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 16072 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16072 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16072 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16072 _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_