data_AVS_bmrb_pdb_report_25513 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25513 _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 1 156 ARG Anomalous Consistent Suspicious Consistent Consistent Anomalous "HA > HD2" 0.9912 25513 1 1 1 2 1 PKA UNSUPPORTED . . . . . . . 25513 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 1 156 ARG CA 59.331 . 56.77 2.31 2.6758e-01 25513 1 1 1 1 156 ARG CB 30.535 . 30.7 1.83 9.2816e-01 25513 1 1 1 1 156 ARG CG 25.907 . 27.21 1.2 2.7755e-01 25513 1 1 1 1 156 ARG CD 43.444 . 43.16 0.88 7.4690e-01 25513 1 1 1 1 156 ARG H 9.043 . 8.24 0.61 1.8804e-01 25513 1 1 1 1 156 ARG HA 3.002 . 4.3 0.46 4.7764e-03 25513 1 1 1 1 156 ARG HB2 1.335 . 1.79 0.27 9.1953e-02 25513 1 1 1 1 156 ARG HB3 1.647 . 1.76 0.28 6.8653e-01 25513 1 1 1 1 156 ARG HG2 1.504 . 1.57 0.27 8.0689e-01 25513 1 1 1 1 156 ARG HG3 1.301 . 1.54 0.29 4.0986e-01 25513 1 1 1 1 156 ARG HD2 3.139 . 3.12 0.24 9.3690e-01 25513 1 1 1 1 156 ARG HD3 2.814 . 3.1 0.26 2.7133e-01 25513 1 1 1 1 156 ARG HE 7.288 . 7.4 0.63 8.5890e-01 25513 1 1 1 1 156 ARG N 120.984 . 120.8 3.68 9.6012e-01 25513 1 1 1 1 156 ARG NE 106.326 A 84.63 1.68 3.7390e-38 25513 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 1 156 ARG ARG 0.69 25513 1 1 1 1 156 ARG GLY 0.16 25513 1 1 1 1 156 ARG LYS 0.13 25513 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25513 _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 25513 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25513 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25513 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25513 _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_