data_AVS_bmrb_pdb_report_18490 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18490 _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 16 GLU Anomalous Consistent Suspicious Anomalous Consistent Consistent "HA > HG2" 1.0000 18490 1 1 1 1 16 GLU . . . . . . "HA > HG3" 1.0000 18490 1 1 1 2 27 DA UNSUPPORTED . . . . . . . 18490 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 16 GLU CA 57.063 . 57.32 2.09 9.0213e-01 18490 1 1 1 1 16 GLU CB 26.947 . 30.01 1.72 7.4943e-02 18490 1 1 1 1 16 GLU H 3.785 A 8.33 0.59 1.3250e-14 18490 1 1 1 1 16 GLU HA 2.739 S 4.25 0.41 2.2837e-04 18490 1 1 1 1 16 GLU HB2 0.853 S 2.02 0.21 2.7423e-08 18490 1 1 1 1 16 GLU HB3 -0.305 S 1.99 0.23 1.8976e-23 18490 1 1 1 1 16 GLU HG2 2.746 . 2.27 0.21 2.3411e-02 18490 1 1 1 1 16 GLU HG3 2.746 . 2.25 0.22 2.4162e-02 18490 1 1 1 1 16 GLU N 116.959 . 120.67 3.48 2.8625e-01 18490 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 16 GLU ARG 0.24 18490 1 1 1 1 16 GLU LEU 0.19 18490 1 1 1 1 16 GLU CYS 0.15 18490 1 1 1 1 16 GLU GLN 0.11 18490 1 1 1 1 16 GLU TRP 0.07 18490 1 1 1 1 16 GLU HIS 0.06 18490 1 1 1 1 16 GLU ILE 0.05 18490 1 1 1 1 16 GLU GLU 0.05 18490 1 1 1 1 16 GLU LYS 0.04 18490 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18490 _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 18490 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18490 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18490 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18490 _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_