data_AVS_bmrb_pdb_report_17812 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17812 _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 44 HIS Anomalous Consistent Consistent Suspicious Anomalous Consistent . . 17812 1 1 1 2 9 M3L UNSUPPORTED . . . . . . . 17812 1 1 1 2 2 ARG Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 17812 1 1 1 3 1 ZN UNSUPPORTED . . . . . . . 17812 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 44 HIS C 74.800 A 175.19 2.14 0.0000e+00 17812 1 1 1 1 44 HIS CA 58.931 . 56.37 2.4 2.8593e-01 17812 1 1 1 1 44 HIS CB 31.235 . 29.95 2.15 5.5006e-01 17812 1 1 1 1 44 HIS H 9.388 . 8.25 0.74 1.2409e-01 17812 1 1 1 1 44 HIS HA 4.650 . 4.62 0.51 9.5309e-01 17812 1 1 1 1 44 HIS HB2 3.445 . 3.12 0.43 4.4976e-01 17812 1 1 1 1 44 HIS HB3 1.391 S 3.11 0.45 1.3345e-04 17812 1 1 1 1 44 HIS HD2 6.048 . 7.08 0.5 3.9018e-02 17812 1 1 1 1 44 HIS N 124.053 . 119.44 4.52 3.0746e-01 17812 1 1 1 2 2 ARG H 9.893 . 8.24 0.6 5.8692e-03 17812 1 1 1 2 2 ARG HA 4.063 . 4.27 0.44 6.3803e-01 17812 1 1 1 2 2 ARG HB2 1.768 . 1.79 0.28 9.3737e-01 17812 1 1 1 2 2 ARG HB3 1.720 . 1.78 0.28 8.3032e-01 17812 1 1 1 2 2 ARG HG2 1.346 . 1.58 0.27 3.8612e-01 17812 1 1 1 2 2 ARG HG3 1.346 . 1.58 0.27 3.8612e-01 17812 1 1 1 2 2 ARG HD2 3.652 . 3.13 0.23 2.3234e-02 17812 1 1 1 2 2 ARG HD3 3.652 . 3.13 0.22 1.7657e-02 17812 1 1 1 2 2 ARG HE 7.117 . 7.32 0.52 6.9625e-01 17812 1 1 1 2 2 ARG HH21 7.683 A 6.72 0.32 2.6179e-03 17812 1 1 1 2 2 ARG HH22 7.683 A 6.72 0.33 3.5208e-03 17812 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 44 HIS CYS 0.15 17812 1 1 1 1 44 HIS TRP 0.15 17812 1 1 1 1 44 HIS ARG 0.12 17812 1 1 1 1 44 HIS GLU 0.12 17812 1 1 1 1 44 HIS HIS 0.09 17812 1 1 1 1 44 HIS LYS 0.08 17812 1 1 1 1 44 HIS MET 0.08 17812 1 1 1 1 44 HIS VAL 0.07 17812 1 1 1 1 44 HIS GLN 0.06 17812 1 1 1 1 44 HIS ILE 0.03 17812 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17812 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 1.4 _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 17812 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17812 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17812 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17812 _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_