data_AVS_bmrb_pdb_report_15854 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15854 _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 98 HIS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15854 1 1 1 2 1 ITL UNSUPPORTED . . . . . . . 15854 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 98 HIS CA 58.580 . 56.52 2.31 3.7251e-01 15854 1 1 1 1 98 HIS CB 35.240 . 30.24 2.07 1.5715e-02 15854 1 1 1 1 98 HIS H 9.440 . 8.24 0.68 7.7613e-02 15854 1 1 1 1 98 HIS HA 5.780 . 4.61 0.43 6.5098e-03 15854 1 1 1 1 98 HIS HB2 3.220 . 3.1 0.36 7.3888e-01 15854 1 1 1 1 98 HIS HB3 3.180 . 3.04 0.38 7.1256e-01 15854 1 1 1 1 98 HIS HD2 9.415 A 7 0.43 1.9511e-08 15854 1 1 1 1 98 HIS N 125.830 . 119.69 4 1.2478e-01 15854 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 98 HIS CYS 0.29 15854 1 1 1 1 98 HIS GLU 0.2 15854 1 1 1 1 98 HIS MET 0.1 15854 1 1 1 1 98 HIS LYS 0.09 15854 1 1 1 1 98 HIS GLN 0.08 15854 1 1 1 1 98 HIS TYR 0.05 15854 1 1 1 1 98 HIS VAL 0.04 15854 1 1 1 1 98 HIS ILE 0.04 15854 1 1 1 1 98 HIS PHE 0.02 15854 1 1 1 1 98 HIS HIS 0.01 15854 1 1 1 1 98 HIS ARG 0.01 15854 1 1 1 1 98 HIS TRP 0.01 15854 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15854 _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 15854 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15854 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15854 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15854 _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_