data_AVS_bmrb_pdb_report_17804 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17804 _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 88 GLU Anomalous Consistent Consistent Duplicate Anomalous Duplicate . . 17804 1 1 1 1 404 LYS Anomalous Consistent Consistent Duplicate Anomalous Duplicate . . 17804 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 88 GLU C 181.716 A 176.93 2.11 2.3314e-02 17804 1 1 1 1 88 GLU CA 58.629 D 57.42 2.19 5.8091e-01 17804 1 1 1 1 88 GLU CB 28.414 . 30.07 1.84 3.6812e-01 17804 1 1 1 1 88 GLU H 8.531 D 8.34 0.61 7.5419e-01 17804 1 1 1 1 88 GLU N 117.745 D 120.68 3.68 4.2513e-01 17804 1 1 1 1 404 LYS C 181.597 A 176.46 2.05 1.2216e-02 17804 1 1 1 1 404 LYS CA 57.460 D 56.84 2.25 7.8289e-01 17804 1 1 1 1 404 LYS CB 32.528 . 32.83 1.88 8.7238e-01 17804 1 1 1 1 404 LYS H 8.237 D 8.22 0.64 9.7881e-01 17804 1 1 1 1 404 LYS N 130.859 D 121.16 4.11 1.8282e-02 17804 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 88 GLU LYS 0.13 17804 1 1 1 1 88 GLU TRP 0.13 17804 1 1 1 1 88 GLU CYS 0.12 17804 1 1 1 1 88 GLU ARG 0.12 17804 1 1 1 1 88 GLU GLN 0.11 17804 1 1 1 1 88 GLU GLU 0.11 17804 1 1 1 1 88 GLU ILE 0.1 17804 1 1 1 1 88 GLU HIS 0.09 17804 1 1 1 1 88 GLU LEU 0.03 17804 1 1 1 1 88 GLU MET 0.01 17804 1 1 1 1 404 LYS CYS 0.17 17804 1 1 1 1 404 LYS LYS 0.17 17804 1 1 1 1 404 LYS MET 0.15 17804 1 1 1 1 404 LYS ARG 0.1 17804 1 1 1 1 404 LYS TRP 0.09 17804 1 1 1 1 404 LYS GLN 0.09 17804 1 1 1 1 404 LYS HIS 0.07 17804 1 1 1 1 404 LYS GLU 0.07 17804 1 1 1 1 404 LYS VAL 0.04 17804 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17804 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 1.4 _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 17804 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17804 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17804 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17804 _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_