data_AVS_bmrb_pdb_report_25969 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25969 _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 51 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD3 > HB2" 0.9950 25969 1 1 1 1 51 ARG . . . . . . "HD2 > HB3" 0.9951 25969 1 1 1 1 51 ARG . . . . . . "HD3 > HB3" 0.9958 25969 1 1 1 1 51 ARG . . . . . . "HD3 > HG2" 0.9974 25969 1 1 1 1 51 ARG . . . . . . "HD3 > HG3" 0.9982 25969 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 51 ARG C 174.948 . 176.41 2.03 4.7140e-01 25969 1 1 1 1 51 ARG CA 53.467 . 56.77 2.31 1.5275e-01 25969 1 1 1 1 51 ARG CB 36.410 . 30.7 1.83 1.8072e-03 25969 1 1 1 1 51 ARG CG 26.324 . 27.21 1.2 4.6031e-01 25969 1 1 1 1 51 ARG CD 41.975 . 43.16 0.88 1.7811e-01 25969 1 1 1 1 51 ARG H 8.927 . 8.24 0.61 2.6007e-01 25969 1 1 1 1 51 ARG HA 4.621 . 4.3 0.46 4.8529e-01 25969 1 1 1 1 51 ARG HB2 1.194 . 1.79 0.27 2.7286e-02 25969 1 1 1 1 51 ARG HB3 1.913 . 1.76 0.28 5.8477e-01 25969 1 1 1 1 51 ARG HG2 1.487 . 1.57 0.27 7.5853e-01 25969 1 1 1 1 51 ARG HG3 0.920 . 1.54 0.29 3.2522e-02 25969 1 1 1 1 51 ARG HD2 1.739 S 3.12 0.24 8.7070e-09 25969 1 1 1 1 51 ARG HD3 0.281 A 3.1 0.26 2.1693e-27 25969 1 1 1 1 51 ARG N 122.445 . 120.8 3.68 6.5487e-01 25969 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 51 ARG CYS 0.73 25969 1 1 1 1 51 ARG LYS 0.21 25969 1 1 1 1 51 ARG GLY 0.03 25969 1 1 1 1 51 ARG ARG 0.01 25969 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25969 _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 25969 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25969 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25969 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25969 _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_