data_AVS_bmrb_pdb_report_18840 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18840 _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 41 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 18840 1 1 1 1 51 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 18840 1 1 1 2 1 ZN UNSUPPORTED . . . . . . . 18840 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 41 HIS C 177.2912 . 175.25 1.97 3.0014e-01 18840 1 1 1 1 41 HIS CA 59.9087 . 56.52 2.31 1.4238e-01 18840 1 1 1 1 41 HIS CB 30.5938 . 30.24 2.07 8.6429e-01 18840 1 1 1 1 41 HIS CD2 120.0432 . 120.49 3.42 8.9606e-01 18840 1 1 1 1 41 HIS CE1 138.7623 . 137.71 2.12 6.1963e-01 18840 1 1 1 1 41 HIS H 8.0735 . 8.24 0.68 8.0657e-01 18840 1 1 1 1 41 HIS HA 4.3305 . 4.61 0.43 5.1569e-01 18840 1 1 1 1 41 HIS HB2 3.3614 . 3.1 0.36 4.6777e-01 18840 1 1 1 1 41 HIS HB3 3.3382 . 3.04 0.38 4.3261e-01 18840 1 1 1 1 41 HIS HD2 7.2741 . 7 0.43 5.2384e-01 18840 1 1 1 1 41 HIS HE1 7.9880 . 7.95 0.48 9.3690e-01 18840 1 1 1 1 41 HIS N 119.2506 . 119.69 4 9.1253e-01 18840 1 1 1 1 41 HIS ND1 240.1526 A 195.02 18.51 1.4757e-02 18840 1 1 1 1 41 HIS NE2 176.9073 . 182.41 14.4 7.0236e-01 18840 1 1 1 1 51 HIS C 175.9589 . 175.25 1.97 7.1896e-01 18840 1 1 1 1 51 HIS CA 56.2226 . 56.52 2.31 8.9756e-01 18840 1 1 1 1 51 HIS CB 30.2281 . 30.24 2.07 9.9541e-01 18840 1 1 1 1 51 HIS CD2 118.1093 . 120.49 3.42 4.8636e-01 18840 1 1 1 1 51 HIS CE1 140.1783 . 137.71 2.12 2.4431e-01 18840 1 1 1 1 51 HIS H 8.4805 . 8.24 0.68 7.2358e-01 18840 1 1 1 1 51 HIS HA 4.6919 . 4.61 0.43 8.4894e-01 18840 1 1 1 1 51 HIS HB2 3.3389 . 3.1 0.36 5.0694e-01 18840 1 1 1 1 51 HIS HB3 2.9810 . 3.04 0.38 8.7661e-01 18840 1 1 1 1 51 HIS HD2 7.1398 . 7 0.43 7.4509e-01 18840 1 1 1 1 51 HIS HE1 8.0896 . 7.95 0.48 7.7118e-01 18840 1 1 1 1 51 HIS N 113.7657 . 119.69 4 1.3859e-01 18840 1 1 1 1 51 HIS ND1 242.4434 A 195.02 18.51 1.0406e-02 18840 1 1 1 1 51 HIS NE2 169.9914 . 182.41 14.4 3.8847e-01 18840 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 41 HIS TRP 0.38 18840 1 1 1 1 41 HIS CYS 0.34 18840 1 1 1 1 41 HIS HIS 0.26 18840 1 1 1 1 51 HIS CYS 0.34 18840 1 1 1 1 51 HIS HIS 0.33 18840 1 1 1 1 51 HIS TRP 0.32 18840 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18840 _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 18840 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18840 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18840 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18840 _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_