data_AVS_bmrb_pdb_report_11034 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11034 _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 1 MET Anomalous Suspicious Consistent Consistent Anomalous Indeterminable . . 11034 1 1 1 1 24 ARG Anomalous Consistent Consistent Consistent Anomalous Consistent . . 11034 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 1 MET CG 15.937 A 32.07 1.45 9.3531e-29 11034 1 1 1 1 1 MET HG2 1.986 . 2.44 0.36 2.0727e-01 11034 1 1 1 1 24 ARG C 181.515 A 176.49 2.16 1.9998e-02 11034 1 1 1 1 24 ARG CA 58.531 . 56.95 2.41 5.1181e-01 11034 1 1 1 1 24 ARG CB 29.763 . 30.66 1.77 6.1231e-01 11034 1 1 1 1 24 ARG CG 26.173 . 27.31 1.65 4.9077e-01 11034 1 1 1 1 24 ARG CD 42.396 . 43.1 1.1 5.2217e-01 11034 1 1 1 1 24 ARG H 8.431 . 8.24 0.6 7.5023e-01 11034 1 1 1 1 24 ARG HA 4.183 . 4.27 0.44 8.4326e-01 11034 1 1 1 1 24 ARG HB2 2.128 . 1.79 0.28 2.2738e-01 11034 1 1 1 1 24 ARG HB3 1.924 . 1.78 0.28 6.0705e-01 11034 1 1 1 1 24 ARG HG2 1.651 . 1.58 0.27 7.9258e-01 11034 1 1 1 1 24 ARG HG3 1.783 . 1.58 0.27 4.5214e-01 11034 1 1 1 1 24 ARG HD2 3.260 . 3.13 0.23 5.7193e-01 11034 1 1 1 1 24 ARG N 115.785 . 120.61 3.9 2.1602e-01 11034 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 1 MET ILE 0.77 11034 1 1 1 1 1 MET ALA 0.22 11034 1 1 1 1 24 ARG ARG 0.5 11034 1 1 1 1 24 ARG LYS 0.41 11034 1 1 1 1 24 ARG LEU 0.05 11034 1 1 1 1 24 ARG GLY 0.02 11034 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11034 _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 11034 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11034 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11034 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11034 _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_