data_AVS_bmrb_pdb_report_18508 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18508 _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 64 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 18508 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 64 HIS C 174.629 . 175.25 1.97 7.5259e-01 18508 1 1 1 1 64 HIS CA 55.046 . 56.52 2.31 5.2341e-01 18508 1 1 1 1 64 HIS CB 34.139 . 30.24 2.07 5.9623e-02 18508 1 1 1 1 64 HIS H 8.832 . 8.24 0.68 3.8398e-01 18508 1 1 1 1 64 HIS HA 4.852 . 4.61 0.43 5.7358e-01 18508 1 1 1 1 64 HIS HB2 3.174 . 3.1 0.36 8.3714e-01 18508 1 1 1 1 64 HIS HB3 2.909 . 3.04 0.38 7.3029e-01 18508 1 1 1 1 64 HIS HD2 6.700 . 7 0.43 4.8538e-01 18508 1 1 1 1 64 HIS HE1 7.619 . 7.95 0.48 4.9046e-01 18508 1 1 1 1 64 HIS HE2 11.533 . 9.64 2.6 4.6657e-01 18508 1 1 1 1 64 HIS N 121.537 . 119.69 4 6.4426e-01 18508 1 1 1 1 64 HIS NE2 131.604 A 182.41 14.4 4.1840e-04 18508 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 64 HIS MET 0.3 18508 1 1 1 1 64 HIS GLN 0.28 18508 1 1 1 1 64 HIS LYS 0.19 18508 1 1 1 1 64 HIS GLU 0.05 18508 1 1 1 1 64 HIS HIS 0.05 18508 1 1 1 1 64 HIS ARG 0.04 18508 1 1 1 1 64 HIS TRP 0.02 18508 1 1 1 1 64 HIS TYR 0.01 18508 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18508 _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 18508 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18508 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18508 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18508 _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_