data_AVS_bmrb_pdb_report_19872 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19872 _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 51 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19872 1 1 1 1 100 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19872 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 51 HIS C 176.0 . 175.25 1.97 7.0342e-01 19872 1 1 1 1 51 HIS CA 58.0 . 56.52 2.31 5.2172e-01 19872 1 1 1 1 51 HIS CB 31.7 . 30.24 2.07 4.8062e-01 19872 1 1 1 1 51 HIS HA 4.10 . 4.61 0.43 2.3560e-01 19872 1 1 1 1 51 HIS HB2 3.10 . 3.1 0.36 1.0000e+00 19872 1 1 1 1 51 HIS HB3 2.68 . 3.04 0.38 3.4345e-01 19872 1 1 1 1 51 HIS HD1 7.41 . 8.68 2.62 6.2787e-01 19872 1 1 1 1 51 HIS HE1 7.74 . 7.95 0.48 6.6175e-01 19872 1 1 1 1 51 HIS N 112.2 . 119.69 4 6.1138e-02 19872 1 1 1 1 51 HIS ND1 238.9 A 195.02 18.51 1.7759e-02 19872 1 1 1 1 51 HIS NE2 175.1 . 182.41 14.4 6.1171e-01 19872 1 1 1 1 100 HIS C 177.0 . 175.25 1.97 3.7437e-01 19872 1 1 1 1 100 HIS CA 59.2 . 56.52 2.31 2.4598e-01 19872 1 1 1 1 100 HIS CB 31.1 . 30.24 2.07 6.7781e-01 19872 1 1 1 1 100 HIS HA 4.35 . 4.61 0.43 5.4541e-01 19872 1 1 1 1 100 HIS HB2 3.51 . 3.1 0.36 2.5475e-01 19872 1 1 1 1 100 HIS HB3 2.96 . 3.04 0.38 8.3326e-01 19872 1 1 1 1 100 HIS HD1 6.90 . 8.68 2.62 4.9689e-01 19872 1 1 1 1 100 HIS HE1 7.30 . 7.95 0.48 1.7568e-01 19872 1 1 1 1 100 HIS N 122.3 . 119.69 4 5.1408e-01 19872 1 1 1 1 100 HIS ND1 247.8 A 195.02 18.51 4.3523e-03 19872 1 1 1 1 100 HIS NE2 164.6 . 182.41 14.4 2.1616e-01 19872 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 51 HIS CYS 0.17 19872 1 1 1 1 51 HIS ARG 0.13 19872 1 1 1 1 51 HIS LYS 0.13 19872 1 1 1 1 51 HIS TRP 0.12 19872 1 1 1 1 51 HIS MET 0.11 19872 1 1 1 1 51 HIS HIS 0.11 19872 1 1 1 1 51 HIS GLU 0.1 19872 1 1 1 1 51 HIS GLN 0.05 19872 1 1 1 1 51 HIS VAL 0.04 19872 1 1 1 1 100 HIS CYS 0.2 19872 1 1 1 1 100 HIS TRP 0.15 19872 1 1 1 1 100 HIS ARG 0.12 19872 1 1 1 1 100 HIS GLU 0.11 19872 1 1 1 1 100 HIS HIS 0.1 19872 1 1 1 1 100 HIS LYS 0.08 19872 1 1 1 1 100 HIS VAL 0.07 19872 1 1 1 1 100 HIS MET 0.06 19872 1 1 1 1 100 HIS GLN 0.05 19872 1 1 1 1 100 HIS ILE 0.01 19872 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19872 _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 19872 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19872 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19872 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19872 _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_