data_AVS_bmrb_pdb_report_27532 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 27532 _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 29 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 27532 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 29 ARG C 176.633 . 176.41 2.03 9.1253e-01 27532 1 1 1 1 29 ARG CA 56.816 . 56.77 2.31 9.8411e-01 27532 1 1 1 1 29 ARG CB 30.585 . 30.7 1.83 9.4989e-01 27532 1 1 1 1 29 ARG H 8.535 . 8.24 0.61 6.2866e-01 27532 1 1 1 1 29 ARG HA 3.993 . 4.3 0.46 5.0452e-01 27532 1 1 1 1 29 ARG HB2 1.613 . 1.79 0.27 5.1211e-01 27532 1 1 1 1 29 ARG HB3 1.914 . 1.76 0.28 5.8232e-01 27532 1 1 1 1 29 ARG HD2 2.931 . 3.12 0.24 4.3099e-01 27532 1 1 1 1 29 ARG HE 7.699 . 7.4 0.63 6.3507e-01 27532 1 1 1 1 29 ARG HH11 6.725 . 6.91 0.46 6.8756e-01 27532 1 1 1 1 29 ARG N 116.821 . 120.8 3.68 2.7959e-01 27532 1 1 1 1 29 ARG NE 111.602 A 84.63 1.68 5.2942e-58 27532 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 29 ARG ARG 0.21 27532 1 1 1 1 29 ARG HIS 0.2 27532 1 1 1 1 29 ARG GLU 0.19 27532 1 1 1 1 29 ARG GLN 0.15 27532 1 1 1 1 29 ARG MET 0.11 27532 1 1 1 1 29 ARG LYS 0.09 27532 1 1 1 1 29 ARG VAL 0.01 27532 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 27532 _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 27532 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 27532 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 27532 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 27532 _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_