data_AVS_bmrb_pdb_report_16997 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16997 _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 74 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD3 > HB2" 0.9950 16997 1 1 1 1 74 ARG . . . . . . "HD3 > HB3" 0.9958 16997 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 74 ARG C 173.689 . 176.49 2.16 1.9471e-01 16997 1 1 1 1 74 ARG CA 54.490 . 56.95 2.41 3.0737e-01 16997 1 1 1 1 74 ARG CB 33.192 . 30.66 1.77 1.5257e-01 16997 1 1 1 1 74 ARG CG 26.073 . 27.31 1.65 4.5344e-01 16997 1 1 1 1 74 ARG CD 42.883 . 43.1 1.1 8.4361e-01 16997 1 1 1 1 74 ARG H 8.727 . 8.24 0.6 4.1698e-01 16997 1 1 1 1 74 ARG HA 4.772 . 4.27 0.44 2.5391e-01 16997 1 1 1 1 74 ARG HB2 1.439 . 1.79 0.28 2.1000e-01 16997 1 1 1 1 74 ARG HB3 1.220 . 1.78 0.28 4.5500e-02 16997 1 1 1 1 74 ARG HG2 1.075 . 1.58 0.27 6.1433e-02 16997 1 1 1 1 74 ARG HG3 0.831 . 1.58 0.27 5.5359e-03 16997 1 1 1 1 74 ARG HD2 1.657 S 3.13 0.23 1.5101e-10 16997 1 1 1 1 74 ARG HD3 1.213 A 3.13 0.22 2.9428e-18 16997 1 1 1 1 74 ARG HE 6.224 . 7.32 0.52 3.5058e-02 16997 1 1 1 1 74 ARG N 119.205 . 120.61 3.9 7.1866e-01 16997 1 1 1 1 74 ARG NE 84.520 . 89.8 12.83 6.8068e-01 16997 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 74 ARG CYS 0.39 16997 1 1 1 1 74 ARG LYS 0.3 16997 1 1 1 1 74 ARG ARG 0.25 16997 1 1 1 1 74 ARG GLY 0.04 16997 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16997 _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 16997 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16997 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16997 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16997 _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_