data_AVS_bmrb_pdb_report_16517 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16517 _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 57 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16517 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 57 GLU C 178.0 . 176.87 1.95 5.6226e-01 16517 1 1 1 1 57 GLU CA 60.2 . 57.32 2.09 1.6821e-01 16517 1 1 1 1 57 GLU CB 28.2 . 30.01 1.72 2.9265e-01 16517 1 1 1 1 57 GLU CG 35.0 . 36.11 1.19 3.5094e-01 16517 1 1 1 1 57 GLU H 8.41 . 8.33 0.59 8.9214e-01 16517 1 1 1 1 57 GLU HA 3.27 . 4.25 0.41 1.6837e-02 16517 1 1 1 1 57 GLU HB2 1.20 S 2.02 0.21 9.4318e-05 16517 1 1 1 1 57 GLU HB3 1.20 S 1.99 0.23 5.9303e-04 16517 1 1 1 1 57 GLU HG2 1.39 S 2.27 0.21 2.7837e-05 16517 1 1 1 1 57 GLU HG3 0.38 A 2.25 0.22 1.8959e-17 16517 1 1 1 1 57 GLU N 120.6 . 120.67 3.48 9.8395e-01 16517 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 57 GLU CYS 0.41 16517 1 1 1 1 57 GLU ILE 0.16 16517 1 1 1 1 57 GLU GLU 0.14 16517 1 1 1 1 57 GLU LYS 0.12 16517 1 1 1 1 57 GLU GLN 0.11 16517 1 1 1 1 57 GLU ARG 0.02 16517 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16517 _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 16517 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16517 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16517 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16517 _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_