data_AVS_bmrb_pdb_report_30671 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 30671 _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 2 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 30671 1 1 1 2 1 WMH UNSUPPORTED . . . . . . . 30671 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 2 ARG CA 54.628 . 56.77 2.31 3.5379e-01 30671 1 1 1 1 2 ARG CB 28.369 . 30.7 1.83 2.0274e-01 30671 1 1 1 1 2 ARG CG 25.038 . 27.21 1.2 7.0296e-02 30671 1 1 1 1 2 ARG CD 40.653 . 43.16 0.88 4.3876e-03 30671 1 1 1 1 2 ARG H 7.866 . 8.24 0.61 5.3980e-01 30671 1 1 1 1 2 ARG HA 4.266 . 4.3 0.46 9.4108e-01 30671 1 1 1 1 2 ARG HB2 1.663 . 1.79 0.27 6.3809e-01 30671 1 1 1 1 2 ARG HB3 1.993 . 1.76 0.28 4.0533e-01 30671 1 1 1 1 2 ARG HG2 1.601 . 1.57 0.27 9.0859e-01 30671 1 1 1 1 2 ARG HG3 1.597 . 1.54 0.29 8.4418e-01 30671 1 1 1 1 2 ARG HD2 3.143 . 3.12 0.24 9.2365e-01 30671 1 1 1 1 2 ARG HD3 3.207 . 3.1 0.26 6.8068e-01 30671 1 1 1 1 2 ARG HE 7.819 . 7.4 0.63 5.0600e-01 30671 1 1 1 1 2 ARG N 121.555 . 120.8 3.68 8.3744e-01 30671 1 1 1 1 2 ARG NE 125.574 A 84.63 1.68 0.0000e+00 30671 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 2 ARG LYS 0.97 30671 1 1 1 1 2 ARG ARG 0.01 30671 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 30671 _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 30671 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 30671 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 30671 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 30671 _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_