data_AVS_bmrb_pdb_report_19069 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19069 _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 68 CRO UNSUPPORTED . . . . . . . 19069 1 1 1 1 69 CRO UNSUPPORTED . . . . . . . 19069 1 1 1 1 70 CRO UNSUPPORTED . . . . . . . 19069 1 1 1 1 184 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19069 1 1 1 1 213 ASP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 19069 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 1 184 HIS C 173.50 . 175.25 1.97 3.7437e-01 19069 1 1 1 1 184 HIS CA 55.80 . 56.52 2.31 7.5528e-01 19069 1 1 1 1 184 HIS CB 32.10 . 30.24 2.07 3.6889e-01 19069 1 1 1 1 184 HIS CD2 118.80 . 120.49 3.42 6.2120e-01 19069 1 1 1 1 184 HIS CE1 138.40 . 137.71 2.12 7.4482e-01 19069 1 1 1 1 184 HIS H 9.06 . 8.24 0.68 2.2786e-01 19069 1 1 1 1 184 HIS HA 4.41 . 4.61 0.43 6.4185e-01 19069 1 1 1 1 184 HIS HB2 2.39 . 3.1 0.36 4.8584e-02 19069 1 1 1 1 184 HIS HB3 2.05 . 3.04 0.38 9.1804e-03 19069 1 1 1 1 184 HIS HD1 9.67 . 8.68 2.62 7.0553e-01 19069 1 1 1 1 184 HIS HD2 6.78 . 7 0.43 6.0891e-01 19069 1 1 1 1 184 HIS HE1 7.21 . 7.95 0.48 1.2315e-01 19069 1 1 1 1 184 HIS N 123.85 . 119.69 4 2.9834e-01 19069 1 1 1 1 184 HIS ND1 160.60 A 195.02 18.51 6.2951e-02 19069 1 1 1 1 213 ASP CA 49.90 . 54.69 2.03 1.8294e-02 19069 1 1 1 1 213 ASP CB 40.70 . 40.88 1.62 9.1153e-01 19069 1 1 1 1 213 ASP H 12.71 A 8.31 0.58 3.2941e-14 19069 1 1 1 1 213 ASP HA 4.97 . 4.59 0.32 2.3503e-01 19069 1 1 1 1 213 ASP HB2 2.52 . 2.72 0.26 4.4176e-01 19069 1 1 1 1 213 ASP HB3 2.36 . 2.66 0.28 2.8398e-01 19069 1 1 1 1 213 ASP N 129.40 . 120.65 3.86 2.3400e-02 19069 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 1 184 HIS HIS 0.38 19069 1 1 1 1 184 HIS CYS 0.32 19069 1 1 1 1 184 HIS TRP 0.28 19069 1 1 1 1 213 ASP ASN 0.4 19069 1 1 1 1 213 ASP ASP 0.33 19069 1 1 1 1 213 ASP LEU 0.1 19069 1 1 1 1 213 ASP CYS 0.08 19069 1 1 1 1 213 ASP PHE 0.03 19069 1 1 1 1 213 ASP TYR 0.02 19069 1 1 1 1 213 ASP LYS 0.01 19069 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19069 _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 19069 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19069 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19069 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19069 _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_