data_AVS_bmrb_pdb_report_34225 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 34225 _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 36 HIS Anomalous Consistent Consistent Anomalous Consistent Anomalous . . 34225 1 1 1 1 47 LYS Anomalous Suspicious Consistent Suspicious Anomalous Consistent . . 34225 1 1 1 2 3 HYP UNSUPPORTED . . . . . . . 34225 1 1 1 3 1 ZN UNSUPPORTED . . . . . . . 34225 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 36 HIS C 175.1000 . 175.25 1.97 9.3931e-01 34225 1 1 1 1 36 HIS CA 59.1500 . 56.52 2.31 2.5490e-01 34225 1 1 1 1 36 HIS CB 28.9000 . 30.24 2.07 5.1741e-01 34225 1 1 1 1 36 HIS CD2 116.8000 . 120.49 3.42 2.8061e-01 34225 1 1 1 1 36 HIS CE1 136.8000 . 137.71 2.12 6.6774e-01 34225 1 1 1 1 36 HIS H 9.4520 . 8.24 0.68 7.4692e-02 34225 1 1 1 1 36 HIS HA 3.8540 . 4.61 0.43 7.8724e-02 34225 1 1 1 1 36 HIS HB2 3.0770 . 3.1 0.36 9.4906e-01 34225 1 1 1 1 36 HIS HB3 1.6450 S 3.04 0.38 2.4155e-04 34225 1 1 1 1 36 HIS HD1 12.7000 . 8.68 2.62 1.2494e-01 34225 1 1 1 1 36 HIS HD2 6.7500 . 7 0.43 5.6097e-01 34225 1 1 1 1 36 HIS HE1 8.0770 . 7.95 0.48 7.9133e-01 34225 1 1 1 1 36 HIS HE2 16.9200 A 9.64 2.6 5.1103e-03 34225 1 1 1 1 36 HIS N 117.5930 . 119.69 4 6.0010e-01 34225 1 1 1 1 36 HIS ND1 239.2000 A 195.02 18.51 1.6995e-02 34225 1 1 1 1 36 HIS NE2 172.6000 . 182.41 14.4 4.9571e-01 34225 1 1 1 1 47 LYS C 176.5000 . 176.64 2 9.4419e-01 34225 1 1 1 1 47 LYS CA 54.9000 . 56.95 2.2 3.5143e-01 34225 1 1 1 1 47 LYS CB 32.7000 . 32.79 1.78 9.5967e-01 34225 1 1 1 1 47 LYS CG 25.4000 . 24.89 1.13 6.5175e-01 34225 1 1 1 1 47 LYS CD 42.4000 A 28.96 1.08 1.4992e-35 34225 1 1 1 1 47 LYS H 8.7070 . 8.19 0.6 3.8887e-01 34225 1 1 1 1 47 LYS HA 4.6500 . 4.27 0.44 3.8779e-01 34225 1 1 1 1 47 LYS HB2 1.7900 . 1.78 0.25 9.6809e-01 34225 1 1 1 1 47 LYS HB3 2.1200 . 1.74 0.27 1.5931e-01 34225 1 1 1 1 47 LYS HG2 1.4400 . 1.37 0.26 7.8775e-01 34225 1 1 1 1 47 LYS HG3 1.5400 . 1.35 0.28 4.9741e-01 34225 1 1 1 1 47 LYS HD2 3.0800 S 1.61 0.22 2.3600e-11 34225 1 1 1 1 47 LYS HD3 3.0800 S 1.6 0.22 1.7287e-11 34225 1 1 1 1 47 LYS N 115.6120 . 121.05 3.77 1.4918e-01 34225 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 36 HIS CYS 0.48 34225 1 1 1 1 36 HIS HIS 0.32 34225 1 1 1 1 36 HIS TRP 0.18 34225 1 1 1 1 47 LYS CYS 0.64 34225 1 1 1 1 47 LYS ARG 0.32 34225 1 1 1 1 47 LYS GLY 0.02 34225 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 34225 _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 34225 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 34225 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 34225 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 34225 _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_