data_AVS_bmrb_pdb_report_30423 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 30423 _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 1 149 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 30423 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 1 149 ARG CA 54.946 . 56.77 2.31 4.2976e-01 30423 1 1 1 1 149 ARG CB 29.399 . 30.7 1.83 4.7713e-01 30423 1 1 1 1 149 ARG CG 24.900 . 27.21 1.2 5.4229e-02 30423 1 1 1 1 149 ARG CD 41.475 . 43.16 0.88 5.5522e-02 30423 1 1 1 1 149 ARG H 7.219 . 8.24 0.61 9.4176e-02 30423 1 1 1 1 149 ARG HA 4.111 . 4.3 0.46 6.8117e-01 30423 1 1 1 1 149 ARG HB2 1.725 . 1.79 0.27 8.0976e-01 30423 1 1 1 1 149 ARG HB3 1.412 . 1.76 0.28 2.1392e-01 30423 1 1 1 1 149 ARG HG2 0.785 . 1.57 0.27 3.6444e-03 30423 1 1 1 1 149 ARG HG3 0.324 S 1.54 0.29 2.7516e-05 30423 1 1 1 1 149 ARG HD2 2.265 S 3.12 0.24 3.6734e-04 30423 1 1 1 1 149 ARG HD3 1.863 S 3.1 0.26 1.9582e-06 30423 1 1 1 1 149 ARG HE 6.495 . 7.4 0.63 1.5086e-01 30423 1 1 1 1 149 ARG N 115.020 . 120.8 3.68 1.1626e-01 30423 1 1 1 1 149 ARG NE 116.720 A 84.63 1.68 2.4680e-81 30423 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 1 149 ARG LYS 0.51 30423 1 1 1 1 149 ARG CYS 0.31 30423 1 1 1 1 149 ARG LEU 0.11 30423 1 1 1 1 149 ARG ARG 0.04 30423 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 30423 _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 30423 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 30423 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 30423 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 30423 _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_