data_AVS_bmrb_pdb_report_4789 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4789 _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 66 TYR Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 4789 1 1 1 1 67 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 4789 1 1 1 2 1 ZN UNSUPPORTED . . . . . . . 4789 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 66 TYR C 178.623 . 175.4 1.99 1.0532e-01 4789 1 1 1 1 66 TYR CA 61.503 . 58.13 2.51 1.7900e-01 4789 1 1 1 1 66 TYR CB 38.174 . 39.32 2.16 5.9573e-01 4789 1 1 1 1 66 TYR CE1 159.567 A 117.93 1.19 0.0000e+00 4789 1 1 1 1 66 TYR H 7.751 . 8.32 0.73 4.3571e-01 4789 1 1 1 1 66 TYR HA 4.312 . 4.63 0.56 5.7013e-01 4789 1 1 1 1 66 TYR HB2 3.300 . 2.91 0.37 2.9186e-01 4789 1 1 1 1 66 TYR HE1 6.905 . 6.7 0.23 3.7277e-01 4789 1 1 1 1 66 TYR N 120.205 . 120.52 4.2 9.4021e-01 4789 1 1 1 1 67 HIS C 176.794 . 175.25 1.97 4.3318e-01 4789 1 1 1 1 67 HIS CA 59.217 . 56.52 2.31 2.4300e-01 4789 1 1 1 1 67 HIS CB 27.836 . 30.24 2.07 2.4550e-01 4789 1 1 1 1 67 HIS CD2 129.900 . 120.49 3.42 5.9330e-03 4789 1 1 1 1 67 HIS CE1 140.532 . 137.71 2.12 1.8315e-01 4789 1 1 1 1 67 HIS H 8.379 . 8.24 0.68 8.3803e-01 4789 1 1 1 1 67 HIS HA 4.411 . 4.61 0.43 6.4351e-01 4789 1 1 1 1 67 HIS HB2 3.675 . 3.1 0.36 1.1022e-01 4789 1 1 1 1 67 HIS HB3 3.268 . 3.04 0.38 5.4851e-01 4789 1 1 1 1 67 HIS HD2 7.181 . 7 0.43 6.7381e-01 4789 1 1 1 1 67 HIS HE1 8.123 . 7.95 0.48 7.1854e-01 4789 1 1 1 1 67 HIS N 117.996 . 119.69 4 6.7193e-01 4789 1 1 1 1 67 HIS ND1 162.018 A 195.02 18.51 7.4598e-02 4789 1 1 1 1 67 HIS NE2 212.788 . 182.41 14.4 3.4894e-02 4789 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 66 TYR CYS 0.99 4789 1 1 1 1 67 HIS CYS 0.97 4789 1 1 1 1 67 HIS HIS 0.02 4789 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4789 _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 4789 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 4789 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 4789 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4789 _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_