data_AVS_bmrb_pdb_report_19749 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19749 _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 15 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19749 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 15 HIS C 173.3 . 175.25 1.97 3.2225e-01 19749 1 1 1 1 15 HIS CA 53.1 . 56.52 2.31 1.3873e-01 19749 1 1 1 1 15 HIS CB 30.4 . 30.24 2.07 9.3839e-01 19749 1 1 1 1 15 HIS CD2 121.2 . 120.49 3.42 8.3554e-01 19749 1 1 1 1 15 HIS CE1 136.4 . 137.71 2.12 5.3663e-01 19749 1 1 1 1 15 HIS H 8.68 . 8.24 0.68 5.1759e-01 19749 1 1 1 1 15 HIS HA 4.55 . 4.61 0.43 8.8903e-01 19749 1 1 1 1 15 HIS HB2 3.11 . 3.1 0.36 9.7784e-01 19749 1 1 1 1 15 HIS HB3 2.88 . 3.04 0.38 6.7372e-01 19749 1 1 1 1 15 HIS HD2 7.42 . 7 0.43 3.2870e-01 19749 1 1 1 1 15 HIS HE1 8.46 . 7.95 0.48 2.8801e-01 19749 1 1 1 1 15 HIS N 126.9 . 119.69 4 7.1467e-02 19749 1 1 1 1 15 HIS ND1 232.4 A 195.02 18.51 4.3441e-02 19749 1 1 1 1 15 HIS NE2 188.4 . 182.41 14.4 6.7743e-01 19749 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 15 HIS HIS 0.43 19749 1 1 1 1 15 HIS TRP 0.36 19749 1 1 1 1 15 HIS CYS 0.19 19749 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19749 _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 19749 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19749 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19749 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19749 _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_