data_AVS_bmrb_pdb_report_27240 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 27240 _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 23 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 27240 1 1 1 1 54 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 27240 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 23 ARG C 174.782 . 176.41 2.03 4.2257e-01 27240 1 1 1 1 23 ARG CA 55.047 . 56.77 2.31 4.5574e-01 27240 1 1 1 1 23 ARG CB 31.337 . 30.7 1.83 7.2777e-01 27240 1 1 1 1 23 ARG CG 28.857 . 27.21 1.2 1.6991e-01 27240 1 1 1 1 23 ARG CD 42.831 . 43.16 0.88 7.0851e-01 27240 1 1 1 1 23 ARG H 7.142 . 8.24 0.61 7.1861e-02 27240 1 1 1 1 23 ARG HA 4.386 . 4.3 0.46 8.5169e-01 27240 1 1 1 1 23 ARG HB2 1.751 . 1.79 0.27 8.8515e-01 27240 1 1 1 1 23 ARG HB3 1.512 . 1.76 0.28 3.7577e-01 27240 1 1 1 1 23 ARG HG2 1.467 . 1.57 0.27 7.0285e-01 27240 1 1 1 1 23 ARG HG3 1.467 . 1.54 0.29 8.0125e-01 27240 1 1 1 1 23 ARG HD2 3.035 . 3.12 0.24 7.2321e-01 27240 1 1 1 1 23 ARG HD3 2.366 . 3.1 0.26 4.7565e-03 27240 1 1 1 1 23 ARG HE 8.472 . 7.4 0.63 8.8833e-02 27240 1 1 1 1 23 ARG N 119.285 . 120.8 3.68 6.8057e-01 27240 1 1 1 1 23 ARG NE 116.680 A 84.63 1.68 3.8928e-81 27240 1 1 1 1 54 ARG C 173.396 . 176.41 2.03 1.3762e-01 27240 1 1 1 1 54 ARG CA 52.843 . 56.77 2.31 8.9131e-02 27240 1 1 1 1 54 ARG CB 36.637 . 30.7 1.83 1.1776e-03 27240 1 1 1 1 54 ARG CG 28.807 . 27.21 1.2 1.8324e-01 27240 1 1 1 1 54 ARG CD 43.650 . 43.16 0.88 5.7765e-01 27240 1 1 1 1 54 ARG H 8.887 . 8.24 0.61 2.8885e-01 27240 1 1 1 1 54 ARG HA 5.136 . 4.3 0.46 6.9157e-02 27240 1 1 1 1 54 ARG HB2 1.739 . 1.79 0.27 8.5018e-01 27240 1 1 1 1 54 ARG HB3 1.051 . 1.76 0.28 1.1337e-02 27240 1 1 1 1 54 ARG HG2 1.893 . 1.57 0.27 2.3158e-01 27240 1 1 1 1 54 ARG HG3 1.101 . 1.54 0.29 1.3008e-01 27240 1 1 1 1 54 ARG HD2 3.912 S 3.12 0.24 9.6685e-04 27240 1 1 1 1 54 ARG HD3 2.947 . 3.1 0.26 5.5622e-01 27240 1 1 1 1 54 ARG HE 7.112 . 7.4 0.63 6.4757e-01 27240 1 1 1 1 54 ARG N 124.561 . 120.8 3.68 3.0678e-01 27240 1 1 1 1 54 ARG NE 113.011 A 84.63 1.68 5.0273e-64 27240 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 23 ARG CYS 0.32 27240 1 1 1 1 23 ARG ARG 0.32 27240 1 1 1 1 23 ARG LYS 0.32 27240 1 1 1 1 23 ARG GLY 0.03 27240 1 1 1 1 54 ARG CYS 0.49 27240 1 1 1 1 54 ARG GLY 0.46 27240 1 1 1 1 54 ARG LYS 0.02 27240 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 27240 _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 27240 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 27240 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 27240 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 27240 _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_