data_AVS_bmrb_pdb_report_18959 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18959 _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 9 ARG Anomalous Consistent Consistent Duplicate Consistent Anomalous . . 18959 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 9 ARG CA 55.395 . 56.77 2.31 5.5168e-01 18959 1 1 1 1 9 ARG CB 27.633 . 30.7 1.83 9.3747e-02 18959 1 1 1 1 9 ARG CG 24.726 . 27.21 1.2 3.8452e-02 18959 1 1 1 1 9 ARG CD 40.765 . 43.16 0.88 6.4969e-03 18959 1 1 1 1 9 ARG H 8.088 D 8.24 0.61 8.0322e-01 18959 1 1 1 1 9 ARG HA 3.807 D 4.3 0.46 2.8384e-01 18959 1 1 1 1 9 ARG HB2 1.667 D 1.79 0.27 6.4871e-01 18959 1 1 1 1 9 ARG HB3 1.667 D 1.76 0.28 7.3978e-01 18959 1 1 1 1 9 ARG HG2 1.519 D 1.57 0.27 8.5018e-01 18959 1 1 1 1 9 ARG HG3 1.379 D 1.54 0.29 5.7878e-01 18959 1 1 1 1 9 ARG HD2 3.004 D 3.12 0.24 6.2886e-01 18959 1 1 1 1 9 ARG HD3 3.004 D 3.1 0.26 7.1196e-01 18959 1 1 1 1 9 ARG HE 7.093 D 7.4 0.63 6.2604e-01 18959 1 1 1 1 9 ARG N 120.280 . 120.8 3.68 8.8763e-01 18959 1 1 1 1 9 ARG NE 120.778 A 84.63 1.68 0.0000e+00 18959 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 9 ARG LEU 0.67 18959 1 1 1 1 9 ARG LYS 0.32 18959 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18959 _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 18959 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18959 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18959 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18959 _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_