data_AVS_bmrb_pdb_report_25434 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25434 _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 59 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HA > HD2" 0.9912 25434 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 59 ARG CA 56.732 . 56.77 2.31 9.8688e-01 25434 1 1 1 1 59 ARG CB 26.634 . 30.7 1.83 2.6293e-02 25434 1 1 1 1 59 ARG CG 27.918 . 27.21 1.2 5.5519e-01 25434 1 1 1 1 59 ARG CD 44.209 . 43.16 0.88 2.3324e-01 25434 1 1 1 1 59 ARG H 7.878 . 8.24 0.61 5.5288e-01 25434 1 1 1 1 59 ARG HA 3.237 . 4.3 0.46 2.0840e-02 25434 1 1 1 1 59 ARG HB2 2.239 . 1.79 0.27 9.6320e-02 25434 1 1 1 1 59 ARG HB3 2.132 . 1.76 0.28 1.8399e-01 25434 1 1 1 1 59 ARG HG2 1.668 . 1.57 0.27 7.1663e-01 25434 1 1 1 1 59 ARG HG3 1.668 . 1.54 0.29 6.5894e-01 25434 1 1 1 1 59 ARG HD2 3.357 . 3.12 0.24 3.2340e-01 25434 1 1 1 1 59 ARG HD3 3.357 . 3.1 0.26 3.2293e-01 25434 1 1 1 1 59 ARG HE 7.291 . 7.4 0.63 8.6264e-01 25434 1 1 1 1 59 ARG HH22 10.188 A 6.76 0.36 1.6951e-21 25434 1 1 1 1 59 ARG N 116.563 . 120.8 3.68 2.4958e-01 25434 1 1 1 1 59 ARG NE 85.031 . 84.63 1.68 8.1135e-01 25434 1 1 1 1 59 ARG NH2 73.200 . 73.26 3.32 9.8558e-01 25434 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 59 ARG LEU 0.43 25434 1 1 1 1 59 ARG GLY 0.39 25434 1 1 1 1 59 ARG ARG 0.15 25434 1 1 1 1 59 ARG LYS 0.02 25434 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25434 _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 25434 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25434 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25434 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25434 _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_