data_AVS_bmrb_pdb_report_4359 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4359 _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 1 DC UNSUPPORTED . . . . . . . 4359 1 1 1 1 2 DT UNSUPPORTED . . . . . . . 4359 1 1 1 1 3 DC UNSUPPORTED . . . . . . . 4359 1 1 1 1 4 DT UNSUPPORTED . . . . . . . 4359 1 1 1 1 5 DA UNSUPPORTED . . . . . . . 4359 1 1 1 1 6 DT UNSUPPORTED . . . . . . . 4359 1 1 1 1 7 DG UNSUPPORTED . . . . . . . 4359 1 1 1 1 8 DA UNSUPPORTED . . . . . . . 4359 1 1 1 1 9 DT UNSUPPORTED . . . . . . . 4359 1 1 1 1 10 DT UNSUPPORTED . . . . . . . 4359 1 1 1 1 11 DG UNSUPPORTED . . . . . . . 4359 1 1 1 1 12 DA UNSUPPORTED . . . . . . . 4359 1 1 1 1 13 DT UNSUPPORTED . . . . . . . 4359 1 1 1 1 14 DC UNSUPPORTED . . . . . . . 4359 1 1 1 1 15 DG UNSUPPORTED . . . . . . . 4359 1 1 1 1 16 DG UNSUPPORTED . . . . . . . 4359 1 1 1 1 17 DC UNSUPPORTED . . . . . . . 4359 1 1 1 1 18 DT UNSUPPORTED . . . . . . . 4359 1 1 1 1 19 DG UNSUPPORTED . . . . . . . 4359 1 1 1 2 1 DC UNSUPPORTED . . . . . . . 4359 1 1 1 2 2 DA UNSUPPORTED . . . . . . . 4359 1 1 1 2 3 DG UNSUPPORTED . . . . . . . 4359 1 1 1 2 4 DC UNSUPPORTED . . . . . . . 4359 1 1 1 2 5 DC UNSUPPORTED . . . . . . . 4359 1 1 1 2 6 DG UNSUPPORTED . . . . . . . 4359 1 1 1 2 7 DA UNSUPPORTED . . . . . . . 4359 1 1 1 2 8 DT UNSUPPORTED . . . . . . . 4359 1 1 1 2 9 DC UNSUPPORTED . . . . . . . 4359 1 1 1 2 10 DA UNSUPPORTED . . . . . . . 4359 1 1 1 2 11 DA UNSUPPORTED . . . . . . . 4359 1 1 1 2 12 DT UNSUPPORTED . . . . . . . 4359 1 1 1 2 13 DC UNSUPPORTED . . . . . . . 4359 1 1 1 2 14 DA UNSUPPORTED . . . . . . . 4359 1 1 1 2 15 DT UNSUPPORTED . . . . . . . 4359 1 1 1 2 16 DA UNSUPPORTED . . . . . . . 4359 1 1 1 2 17 DG UNSUPPORTED . . . . . . . 4359 1 1 1 2 18 DA UNSUPPORTED . . . . . . . 4359 1 1 1 2 19 DG UNSUPPORTED . . . . . . . 4359 1 1 1 3 14 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 4359 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 3 14 GLU CA 59.709 . 57.42 2.19 2.9593e-01 4359 1 1 1 3 14 GLU H 64.682 A 8.34 0.61 0.0000e+00 4359 1 1 1 3 14 GLU N 121.189 . 120.68 3.68 8.8999e-01 4359 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 3 14 GLU PHE 0.11 4359 1 1 1 3 14 GLU SER 0.11 4359 1 1 1 3 14 GLU TYR 0.1 4359 1 1 1 3 14 GLU CYS 0.09 4359 1 1 1 3 14 GLU ILE 0.09 4359 1 1 1 3 14 GLU TRP 0.08 4359 1 1 1 3 14 GLU THR 0.07 4359 1 1 1 3 14 GLU VAL 0.07 4359 1 1 1 3 14 GLU GLU 0.05 4359 1 1 1 3 14 GLU ARG 0.04 4359 1 1 1 3 14 GLU LYS 0.03 4359 1 1 1 3 14 GLU HIS 0.03 4359 1 1 1 3 14 GLU GLN 0.03 4359 1 1 1 3 14 GLU LEU 0.01 4359 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4359 _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 4359 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 4359 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 4359 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4359 _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_