data_AVS_bmrb_pdb_report_36114 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 36114 _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 40 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 36114 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 40 ARG CA 56.312 . 56.77 2.31 8.4284e-01 36114 1 1 1 1 40 ARG CB 30.479 . 30.7 1.83 9.0388e-01 36114 1 1 1 1 40 ARG CG 26.134 . 27.21 1.2 3.6990e-01 36114 1 1 1 1 40 ARG CD 43.568 . 43.16 0.88 6.4291e-01 36114 1 1 1 1 40 ARG H 8.418 . 8.24 0.61 7.7044e-01 36114 1 1 1 1 40 ARG HA 3.907 . 4.3 0.46 3.9291e-01 36114 1 1 1 1 40 ARG HB2 1.784 . 1.79 0.27 9.8227e-01 36114 1 1 1 1 40 ARG HB3 1.561 . 1.76 0.28 4.7726e-01 36114 1 1 1 1 40 ARG HG2 1.751 . 1.57 0.27 5.0262e-01 36114 1 1 1 1 40 ARG HG3 1.128 . 1.54 0.29 1.5541e-01 36114 1 1 1 1 40 ARG HD2 2.965 . 3.12 0.24 5.1839e-01 36114 1 1 1 1 40 ARG HD3 2.750 . 3.1 0.26 1.7825e-01 36114 1 1 1 1 40 ARG HE 8.863 . 7.4 0.63 2.0221e-02 36114 1 1 1 1 40 ARG N 118.708 . 120.8 3.68 5.6971e-01 36114 1 1 1 1 40 ARG NE 107.940 A 84.63 1.68 8.9793e-44 36114 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 40 ARG ARG 0.73 36114 1 1 1 1 40 ARG GLY 0.15 36114 1 1 1 1 40 ARG LYS 0.1 36114 1 1 1 1 40 ARG LEU 0.01 36114 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 36114 _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 36114 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 36114 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 36114 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 36114 _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_