data_AVS_bmrb_pdb_report_16298 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16298 _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 47 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16298 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 47 HIS C 177.9 . 175.25 1.97 1.7857e-01 16298 1 1 1 1 47 HIS CA 59.3 . 56.52 2.31 2.2880e-01 16298 1 1 1 1 47 HIS CB 30.3 . 30.24 2.07 9.7688e-01 16298 1 1 1 1 47 HIS CD2 120.2 . 120.49 3.42 9.3242e-01 16298 1 1 1 1 47 HIS CE1 138.7 . 137.71 2.12 6.4051e-01 16298 1 1 1 1 47 HIS H 8.32 . 8.24 0.68 9.0635e-01 16298 1 1 1 1 47 HIS HA 4.44 . 4.61 0.43 6.9259e-01 16298 1 1 1 1 47 HIS HB2 3.2 . 3.1 0.36 7.8118e-01 16298 1 1 1 1 47 HIS HB3 3.01 . 3.04 0.38 9.3707e-01 16298 1 1 1 1 47 HIS HD2 6.60 . 7 0.43 3.5225e-01 16298 1 1 1 1 47 HIS HE1 7.82 . 7.95 0.48 7.8652e-01 16298 1 1 1 1 47 HIS N 114 . 119.69 4 1.5488e-01 16298 1 1 1 1 47 HIS ND1 231 A 195.02 18.51 5.1918e-02 16298 1 1 1 1 47 HIS NE2 176.6 . 182.41 14.4 6.8660e-01 16298 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 47 HIS TRP 0.55 16298 1 1 1 1 47 HIS HIS 0.44 16298 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16298 _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 16298 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16298 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16298 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16298 _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_