data_AVS_bmrb_pdb_report_16188 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16188 _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 54 HIS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16188 1 1 1 1 89 HIS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16188 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 54 HIS C 172.301 . 175.19 2.14 1.7702e-01 16188 1 1 1 1 54 HIS CA 54.871 . 56.37 2.4 5.3224e-01 16188 1 1 1 1 54 HIS CB 30.191 . 29.95 2.15 9.1075e-01 16188 1 1 1 1 54 HIS H 8.395 . 8.25 0.74 8.4465e-01 16188 1 1 1 1 54 HIS HA 4.900 . 4.62 0.51 5.8299e-01 16188 1 1 1 1 54 HIS HB2 3.577 . 3.12 0.43 2.8788e-01 16188 1 1 1 1 54 HIS HB3 3.094 . 3.11 0.45 9.7164e-01 16188 1 1 1 1 54 HIS HD2 7.251 . 7.08 0.5 7.3235e-01 16188 1 1 1 1 54 HIS HE1 9.783 A 8.08 0.57 2.8107e-03 16188 1 1 1 1 54 HIS N 115.051 . 119.44 4.52 3.3154e-01 16188 1 1 1 1 89 HIS C 180.071 A 175.19 2.14 2.2558e-02 16188 1 1 1 1 89 HIS CA 59.031 . 56.37 2.4 2.6754e-01 16188 1 1 1 1 89 HIS CB 28.571 . 29.95 2.15 5.2127e-01 16188 1 1 1 1 89 HIS H 9.172 . 8.25 0.74 2.1278e-01 16188 1 1 1 1 89 HIS HA 4.942 . 4.62 0.51 5.2780e-01 16188 1 1 1 1 89 HIS HB2 3.565 . 3.12 0.43 3.0072e-01 16188 1 1 1 1 89 HIS HB3 3.490 . 3.11 0.45 3.9842e-01 16188 1 1 1 1 89 HIS N 119.601 . 119.44 4.52 9.7159e-01 16188 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 54 HIS HIS 0.2 16188 1 1 1 1 54 HIS ARG 0.16 16188 1 1 1 1 54 HIS GLN 0.15 16188 1 1 1 1 54 HIS TRP 0.13 16188 1 1 1 1 54 HIS GLU 0.12 16188 1 1 1 1 54 HIS MET 0.1 16188 1 1 1 1 54 HIS LYS 0.1 16188 1 1 1 1 89 HIS TRP 0.16 16188 1 1 1 1 89 HIS LYS 0.14 16188 1 1 1 1 89 HIS ILE 0.14 16188 1 1 1 1 89 HIS GLU 0.13 16188 1 1 1 1 89 HIS GLN 0.12 16188 1 1 1 1 89 HIS ARG 0.12 16188 1 1 1 1 89 HIS HIS 0.1 16188 1 1 1 1 89 HIS LEU 0.02 16188 1 1 1 1 89 HIS MET 0.01 16188 1 1 1 1 89 HIS VAL 0.01 16188 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16188 _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.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 16188 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16188 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16188 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16188 _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_