data_AVS_bmrb_pdb_report_28003 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 28003 _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 54 GLU Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 28003 1 1 1 1 57 LEU Anomalous Suspicious Consistent Indeterminable Anomalous Indeterminable . . 28003 1 1 1 1 85 LEU Anomalous Suspicious Consistent Indeterminable Anomalous Indeterminable . . 28003 1 1 1 1 100 GLN Anomalous Suspicious Consistent Indeterminable Anomalous Indeterminable . . 28003 1 1 1 2 1 FES UNSUPPORTED . . . . . . . 28003 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 54 GLU CA 30.217 A 57.32 2.09 1.8595e-38 28003 1 1 1 1 54 GLU H 8.588 . 8.33 0.59 6.6190e-01 28003 1 1 1 1 54 GLU N 120.507 . 120.67 3.48 9.6264e-01 28003 1 1 1 1 57 LEU CA 42.306 A 55.62 2.13 4.0861e-10 28003 1 1 1 1 85 LEU CA 42.342 A 55.62 2.13 4.5525e-10 28003 1 1 1 1 100 GLN CA 29.478 A 56.57 2.14 9.8734e-37 28003 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 54 GLU HIS 0.24 28003 1 1 1 1 54 GLU ARG 0.19 28003 1 1 1 1 54 GLU CYS 0.17 28003 1 1 1 1 54 GLU GLN 0.14 28003 1 1 1 1 54 GLU LYS 0.06 28003 1 1 1 1 54 GLU MET 0.05 28003 1 1 1 1 54 GLU PRO 0.04 28003 1 1 1 1 54 GLU VAL 0.04 28003 1 1 1 1 54 GLU ILE 0.03 28003 1 1 1 1 57 LEU LYS 0.3 28003 1 1 1 1 57 LEU ASP 0.19 28003 1 1 1 1 57 LEU ARG 0.16 28003 1 1 1 1 57 LEU PHE 0.13 28003 1 1 1 1 57 LEU TYR 0.08 28003 1 1 1 1 57 LEU CYS 0.05 28003 1 1 1 1 57 LEU ILE 0.03 28003 1 1 1 1 57 LEU ASN 0.01 28003 1 1 1 1 57 LEU GLY 0.01 28003 1 1 1 1 85 LEU LYS 0.29 28003 1 1 1 1 85 LEU ASP 0.18 28003 1 1 1 1 85 LEU ARG 0.18 28003 1 1 1 1 85 LEU PHE 0.13 28003 1 1 1 1 85 LEU TYR 0.08 28003 1 1 1 1 85 LEU CYS 0.05 28003 1 1 1 1 85 LEU ILE 0.03 28003 1 1 1 1 85 LEU ASN 0.01 28003 1 1 1 1 85 LEU GLY 0.01 28003 1 1 1 1 100 GLN GLU 0.2 28003 1 1 1 1 100 GLN HIS 0.18 28003 1 1 1 1 100 GLN LYS 0.16 28003 1 1 1 1 100 GLN CYS 0.16 28003 1 1 1 1 100 GLN ARG 0.13 28003 1 1 1 1 100 GLN ILE 0.07 28003 1 1 1 1 100 GLN MET 0.03 28003 1 1 1 1 100 GLN VAL 0.01 28003 1 1 1 1 100 GLN PRO 0.01 28003 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 28003 _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 28003 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 28003 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 28003 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 28003 _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_