data_AVS_bmrb_pdb_report_50084 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 50084 _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 13 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 50084 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 13 GLU C 178.912 . 176.87 1.95 2.9502e-01 50084 1 1 1 1 13 GLU CA 59.918 . 57.32 2.09 2.1384e-01 50084 1 1 1 1 13 GLU CB 27.964 . 30.01 1.72 2.3423e-01 50084 1 1 1 1 13 GLU CG 34.101 . 36.11 1.19 9.1366e-02 50084 1 1 1 1 13 GLU H 7.855 . 8.33 0.59 4.2077e-01 50084 1 1 1 1 13 GLU HA 3.123 . 4.25 0.41 5.9817e-03 50084 1 1 1 1 13 GLU HB2 1.599 . 2.02 0.21 4.4989e-02 50084 1 1 1 1 13 GLU HB3 0.746 S 1.99 0.23 6.3485e-08 50084 1 1 1 1 13 GLU HG2 1.377 S 2.27 0.21 2.1151e-05 50084 1 1 1 1 13 GLU HG3 0.425 A 2.25 0.22 1.0817e-16 50084 1 1 1 1 13 GLU N 121.860 . 120.67 3.48 7.3239e-01 50084 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 13 GLU CYS 0.42 50084 1 1 1 1 13 GLU GLN 0.19 50084 1 1 1 1 13 GLU LYS 0.17 50084 1 1 1 1 13 GLU ILE 0.06 50084 1 1 1 1 13 GLU ARG 0.06 50084 1 1 1 1 13 GLU GLU 0.05 50084 1 1 1 1 13 GLU PRO 0.01 50084 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 50084 _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 50084 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 50084 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 50084 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 50084 _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_