data_AVS_bmrb_pdb_report_16334 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16334 _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 7 LYS Anomalous Consistent Consistent Indeterminable Anomalous Indeterminable . . 16334 1 1 1 1 119 ASN Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD21 > HA" 0.9966 16334 1 1 1 1 119 ASN . . . . . . "HD22 > HA" 0.9966 16334 1 1 1 1 119 ASN . . . . . . "HD21 > HB2" 1.0000 16334 1 1 1 1 119 ASN . . . . . . "HD22 > HB2" 1.0000 16334 1 1 1 1 119 ASN . . . . . . "HD21 > HB3" 1.0000 16334 1 1 1 1 119 ASN . . . . . . "HD22 > HB3" 1.0000 16334 1 1 1 1 159 ASN Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD21 > HA" 0.9966 16334 1 1 1 1 159 ASN . . . . . . "HD22 > HA" 0.9966 16334 1 1 1 1 159 ASN . . . . . . "HD21 > HB2" 1.0000 16334 1 1 1 1 159 ASN . . . . . . "HD22 > HB2" 1.0000 16334 1 1 1 1 159 ASN . . . . . . "HD21 > HB3" 1.0000 16334 1 1 1 1 159 ASN . . . . . . "HD22 > HB3" 1.0000 16334 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 7 LYS C 76.018 A 176.64 2 0.0000e+00 16334 1 1 1 1 7 LYS CA 55.79 . 56.95 2.2 5.9800e-01 16334 1 1 1 1 7 LYS CB 34.787 . 32.79 1.78 2.6190e-01 16334 1 1 1 1 119 ASN C 177.778 . 175.27 1.79 1.6118e-01 16334 1 1 1 1 119 ASN CA 56.456 . 53.54 1.88 1.2089e-01 16334 1 1 1 1 119 ASN CB 37.958 . 38.69 1.69 6.6492e-01 16334 1 1 1 1 119 ASN H 8.284 . 8.34 0.63 9.2917e-01 16334 1 1 1 1 119 ASN HA 4.891 . 4.67 0.36 5.3929e-01 16334 1 1 1 1 119 ASN HB2 2.818 . 2.81 0.31 9.7941e-01 16334 1 1 1 1 119 ASN HB3 2.818 . 2.75 0.33 8.3674e-01 16334 1 1 1 1 119 ASN HD21 1.467 A 7.35 0.48 1.5553e-34 16334 1 1 1 1 119 ASN HD22 1.467 A 7.14 0.49 5.3554e-31 16334 1 1 1 1 119 ASN N 114.346 . 118.93 4.03 2.5534e-01 16334 1 1 1 1 159 ASN C 174.171 . 175.27 1.79 5.3924e-01 16334 1 1 1 1 159 ASN CA 51.943 . 53.54 1.88 3.9562e-01 16334 1 1 1 1 159 ASN CB 37.027 . 38.69 1.69 3.2510e-01 16334 1 1 1 1 159 ASN H 7.938 . 8.34 0.63 5.2341e-01 16334 1 1 1 1 159 ASN HA 4.861 . 4.67 0.36 5.9573e-01 16334 1 1 1 1 159 ASN HB2 2.908 . 2.81 0.31 7.5190e-01 16334 1 1 1 1 159 ASN HB3 2.908 . 2.75 0.33 6.3209e-01 16334 1 1 1 1 159 ASN HD21 2.052 A 7.35 0.48 2.5195e-28 16334 1 1 1 1 159 ASN HD22 2.052 A 7.14 0.49 2.9423e-25 16334 1 1 1 1 159 ASN N 113.007 . 118.93 4.03 1.4164e-01 16334 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 7 LYS MET 0.22 16334 1 1 1 1 7 LYS CYS 0.21 16334 1 1 1 1 7 LYS GLN 0.19 16334 1 1 1 1 7 LYS LYS 0.14 16334 1 1 1 1 7 LYS GLU 0.12 16334 1 1 1 1 7 LYS ARG 0.02 16334 1 1 1 1 7 LYS TYR 0.02 16334 1 1 1 1 7 LYS TRP 0.01 16334 1 1 1 1 7 LYS ASN 0.01 16334 1 1 1 1 7 LYS VAL 0.01 16334 1 1 1 1 119 ASN TYR 0.24 16334 1 1 1 1 119 ASN CYS 0.2 16334 1 1 1 1 119 ASN PHE 0.18 16334 1 1 1 1 119 ASN GLU 0.1 16334 1 1 1 1 119 ASN ASN 0.1 16334 1 1 1 1 119 ASN ILE 0.05 16334 1 1 1 1 119 ASN ASP 0.04 16334 1 1 1 1 119 ASN MET 0.03 16334 1 1 1 1 119 ASN LEU 0.02 16334 1 1 1 1 159 ASN ASN 0.61 16334 1 1 1 1 159 ASN CYS 0.17 16334 1 1 1 1 159 ASN MET 0.04 16334 1 1 1 1 159 ASN TYR 0.03 16334 1 1 1 1 159 ASN GLU 0.03 16334 1 1 1 1 159 ASN ASP 0.03 16334 1 1 1 1 159 ASN PHE 0.03 16334 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16334 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _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 16334 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16334 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16334 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16334 _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_