data_AVS_bmrb_pdb_report_18462 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18462 _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 1 116 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 18462 1 1 1 2 1 DG UNSUPPORTED . . . . . . . 18462 1 1 1 2 2 DT UNSUPPORTED . . . . . . . 18462 1 1 1 2 3 DG UNSUPPORTED . . . . . . . 18462 1 1 1 2 4 DC UNSUPPORTED . . . . . . . 18462 1 1 1 2 5 DT UNSUPPORTED . . . . . . . 18462 1 1 1 2 6 DT UNSUPPORTED . . . . . . . 18462 1 1 1 2 7 DC UNSUPPORTED . . . . . . . 18462 1 1 1 2 8 DC UNSUPPORTED . . . . . . . 18462 1 1 1 2 9 DT UNSUPPORTED . . . . . . . 18462 1 1 1 2 10 DG UNSUPPORTED . . . . . . . 18462 1 1 1 2 11 DC UNSUPPORTED . . . . . . . 18462 1 1 1 2 12 DC UNSUPPORTED . . . . . . . 18462 1 1 1 2 13 DA UNSUPPORTED . . . . . . . 18462 1 1 1 2 14 DA UNSUPPORTED . . . . . . . 18462 1 1 1 2 15 DT UNSUPPORTED . . . . . . . 18462 1 1 1 2 16 DA UNSUPPORTED . . . . . . . 18462 1 1 1 2 17 DA UNSUPPORTED . . . . . . . 18462 1 1 1 2 18 DC UNSUPPORTED . . . . . . . 18462 1 1 1 2 19 DG UNSUPPORTED . . . . . . . 18462 1 1 1 3 1 DC UNSUPPORTED . . . . . . . 18462 1 1 1 3 2 DG UNSUPPORTED . . . . . . . 18462 1 1 1 3 3 DT UNSUPPORTED . . . . . . . 18462 1 1 1 3 4 DT UNSUPPORTED . . . . . . . 18462 1 1 1 3 5 DA UNSUPPORTED . . . . . . . 18462 1 1 1 3 6 DT UNSUPPORTED . . . . . . . 18462 1 1 1 3 7 DT UNSUPPORTED . . . . . . . 18462 1 1 1 3 8 DG UNSUPPORTED . . . . . . . 18462 1 1 1 3 9 DG UNSUPPORTED . . . . . . . 18462 1 1 1 3 10 DC UNSUPPORTED . . . . . . . 18462 1 1 1 3 11 DA UNSUPPORTED . . . . . . . 18462 1 1 1 3 12 DG UNSUPPORTED . . . . . . . 18462 1 1 1 3 13 DG UNSUPPORTED . . . . . . . 18462 1 1 1 3 14 DA UNSUPPORTED . . . . . . . 18462 1 1 1 3 15 DA UNSUPPORTED . . . . . . . 18462 1 1 1 3 16 DG UNSUPPORTED . . . . . . . 18462 1 1 1 3 17 DC UNSUPPORTED . . . . . . . 18462 1 1 1 3 18 DA UNSUPPORTED . . . . . . . 18462 1 1 1 3 19 DC UNSUPPORTED . . . . . . . 18462 1 1 1 4 1 ZN UNSUPPORTED . . . . . . . 18462 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 1 116 HIS C 175.512 . 175.25 1.97 8.9420e-01 18462 1 1 1 1 116 HIS CA 55.544 . 56.52 2.31 6.7265e-01 18462 1 1 1 1 116 HIS CB 29.93 . 30.24 2.07 8.8096e-01 18462 1 1 1 1 116 HIS CD2 118.007 . 120.49 3.42 4.6782e-01 18462 1 1 1 1 116 HIS CE1 138.299 . 137.71 2.12 7.8114e-01 18462 1 1 1 1 116 HIS H 9.132 . 8.24 0.68 1.8960e-01 18462 1 1 1 1 116 HIS HA 4.65 . 4.61 0.43 9.2589e-01 18462 1 1 1 1 116 HIS HB2 3.159 . 3.1 0.36 8.6982e-01 18462 1 1 1 1 116 HIS HB3 2.952 . 3.04 0.38 8.1687e-01 18462 1 1 1 1 116 HIS HD2 7.176 . 7 0.43 6.8232e-01 18462 1 1 1 1 116 HIS HE1 7.893 . 7.95 0.48 9.0547e-01 18462 1 1 1 1 116 HIS N 127.447 . 119.69 4 5.2471e-02 18462 1 1 1 1 116 HIS ND1 235.363 A 195.02 18.51 2.9293e-02 18462 1 1 1 1 116 HIS NE2 168.675 . 182.41 14.4 3.4018e-01 18462 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 1 116 HIS HIS 0.42 18462 1 1 1 1 116 HIS CYS 0.29 18462 1 1 1 1 116 HIS TRP 0.28 18462 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18462 _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 18462 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18462 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18462 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18462 _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_