data_AVS_bmrb_pdb_report_15848 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15848 _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 15848 1 1 1 1 46 GLU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 15848 1 1 1 1 126 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 15848 1 1 1 1 46 GLU CA 57.9 . 57.42 2.19 8.2651e-01 15848 1 1 1 1 46 GLU CB 27.8 . 30.07 1.84 2.1732e-01 15848 1 1 1 1 46 GLU CG 36.1 . 36.01 1.51 9.5247e-01 15848 1 1 1 1 46 GLU H 8.60 . 8.34 0.61 6.6994e-01 15848 1 1 1 1 46 GLU HA 3.69 . 4.26 0.43 1.8498e-01 15848 1 1 1 1 46 GLU HB2 2.18 . 2.04 0.22 5.2454e-01 15848 1 1 1 1 46 GLU HB3 2.20 . 2.04 0.23 4.8665e-01 15848 1 1 1 1 46 GLU HG2 2.08 . 2.31 0.21 2.7341e-01 15848 1 1 1 1 46 GLU HG3 2.18 . 2.31 0.21 5.3589e-01 15848 1 1 1 1 46 GLU N 109.0 M 120.68 3.68 1.5040e-03 15848 1 1 1 1 126 LYS CA 55.8 . 56.84 2.25 6.4392e-01 15848 1 1 1 1 126 LYS CB 34.3 . 32.83 1.88 4.3426e-01 15848 1 1 1 1 126 LYS H 9.15 . 8.22 0.64 1.4619e-01 15848 1 1 1 1 126 LYS HA 4.55 . 4.28 0.45 5.4851e-01 15848 1 1 1 1 126 LYS HB2 -0.23 M 1.79 0.25 6.4767e-16 15848 1 1 1 1 126 LYS HB3 0.98 . 1.78 0.26 2.0915e-03 15848 1 1 1 1 126 LYS N 127.5 . 121.16 4.11 1.2293e-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 15848 1 1 1 1 46 GLU CYS 0.38 15848 1 1 1 1 46 GLU GLU 0.27 15848 1 1 1 1 46 GLU ILE 0.14 15848 1 1 1 1 46 GLU LYS 0.11 15848 1 1 1 1 46 GLU GLN 0.05 15848 1 1 1 1 126 LYS CYS 0.21 15848 1 1 1 1 126 LYS MET 0.19 15848 1 1 1 1 126 LYS GLN 0.19 15848 1 1 1 1 126 LYS LYS 0.16 15848 1 1 1 1 126 LYS GLU 0.09 15848 1 1 1 1 126 LYS TRP 0.03 15848 1 1 1 1 126 LYS HIS 0.03 15848 1 1 1 1 126 LYS ARG 0.02 15848 1 1 1 1 126 LYS TYR 0.01 15848 1 1 1 1 126 LYS VAL 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15848 _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 15848 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 15848 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15848 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15848 _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_