data_AVS_bmrb_pdb_report_16364 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16364 _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 59 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16364 1 1 1 1 127 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16364 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 59 HIS CA 56.8 . 56.52 2.31 9.0352e-01 16364 1 1 1 1 59 HIS CB 30.9 . 30.24 2.07 7.4985e-01 16364 1 1 1 1 59 HIS CE1 139.2 . 137.71 2.12 4.8216e-01 16364 1 1 1 1 59 HIS H 9.04 . 8.24 0.68 2.3941e-01 16364 1 1 1 1 59 HIS HA 4.28 . 4.61 0.43 4.4282e-01 16364 1 1 1 1 59 HIS HB2 3.09 . 3.1 0.36 9.7784e-01 16364 1 1 1 1 59 HIS HB3 2.86 . 3.04 0.38 6.3572e-01 16364 1 1 1 1 59 HIS HD2 6.89 . 7 0.43 7.9809e-01 16364 1 1 1 1 59 HIS HE1 7.72 . 7.95 0.48 6.3182e-01 16364 1 1 1 1 59 HIS N 124.3 . 119.69 4 2.4912e-01 16364 1 1 1 1 59 HIS ND1 250.5 A 195.02 18.51 2.7238e-03 16364 1 1 1 1 59 HIS NE2 165 . 182.41 14.4 2.2665e-01 16364 1 1 1 1 127 HIS C 174.8 . 175.25 1.97 8.1931e-01 16364 1 1 1 1 127 HIS CA 55.9 . 56.52 2.31 7.8839e-01 16364 1 1 1 1 127 HIS CB 30.7 . 30.24 2.07 8.2414e-01 16364 1 1 1 1 127 HIS CD2 119.7 . 120.49 3.42 8.1732e-01 16364 1 1 1 1 127 HIS CE1 137.8 . 137.71 2.12 9.6614e-01 16364 1 1 1 1 127 HIS H 8.31 . 8.24 0.68 9.1801e-01 16364 1 1 1 1 127 HIS HA 4.63 . 4.61 0.43 9.6290e-01 16364 1 1 1 1 127 HIS HB2 3.10 . 3.1 0.36 1.0000e+00 16364 1 1 1 1 127 HIS HB3 3.10 . 3.04 0.38 8.7454e-01 16364 1 1 1 1 127 HIS HD2 7.09 . 7 0.43 8.3421e-01 16364 1 1 1 1 127 HIS HE1 8.01 . 7.95 0.48 9.0052e-01 16364 1 1 1 1 127 HIS N 119.3 . 119.69 4 9.2233e-01 16364 1 1 1 1 127 HIS ND1 256 A 195.02 18.51 9.8620e-04 16364 1 1 1 1 127 HIS NE2 177.4 . 182.41 14.4 7.2790e-01 16364 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 59 HIS HIS 0.99 16364 1 1 1 1 127 HIS HIS 0.99 16364 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16364 _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 16364 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16364 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16364 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16364 _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_