data_AVS_bmrb_pdb_report_10015 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10015 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 10015 1 1 1 1 16 HIS Anomalous Consistent Suspicious Anomalous Consistent Consistent "HA > HB2" 0.9926 10015 1 1 1 1 16 HIS . . . . . . "HA > HB3" 0.9952 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 10015 1 1 1 1 16 HIS C 171.683 . 175.19 2.14 1.0126e-01 10015 1 1 1 1 16 HIS CA 54.317 . 56.37 2.4 3.9232e-01 10015 1 1 1 1 16 HIS CB 25.205 . 29.95 2.15 2.7316e-02 10015 1 1 1 1 16 HIS H 8.521 . 8.25 0.74 7.1420e-01 10015 1 1 1 1 16 HIS HA 1.929 M 4.62 0.51 1.3170e-07 10015 1 1 1 1 16 HIS HB2 2.824 . 3.12 0.43 4.9122e-01 10015 1 1 1 1 16 HIS HB3 2.824 . 3.11 0.45 5.2507e-01 10015 1 1 1 1 16 HIS N 116.755 . 119.44 4.52 5.5249e-01 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 10015 1 1 1 1 16 HIS LEU 0.38 10015 1 1 1 1 16 HIS LYS 0.24 10015 1 1 1 1 16 HIS CYS 0.13 10015 1 1 1 1 16 HIS ARG 0.11 10015 1 1 1 1 16 HIS GLN 0.03 10015 1 1 1 1 16 HIS HIS 0.02 10015 1 1 1 1 16 HIS MET 0.02 10015 1 1 1 1 16 HIS TRP 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10015 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 10015 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 10015 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 10015 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10015 _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_