data_AVS_bmrb_pdb_report_4813 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4813 _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 18 GLN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 4813 1 1 1 2 1 DG UNSUPPORTED . . . . . . . 4813 1 1 1 2 2 DA UNSUPPORTED . . . . . . . 4813 1 1 1 2 3 DA UNSUPPORTED . . . . . . . 4813 1 1 1 2 4 DT UNSUPPORTED . . . . . . . 4813 1 1 1 2 5 DT UNSUPPORTED . . . . . . . 4813 1 1 1 2 6 DG UNSUPPORTED . . . . . . . 4813 1 1 1 2 7 DT UNSUPPORTED . . . . . . . 4813 1 1 1 2 8 DG UNSUPPORTED . . . . . . . 4813 1 1 1 2 9 DA UNSUPPORTED . . . . . . . 4813 1 1 1 2 10 DG UNSUPPORTED . . . . . . . 4813 1 1 1 2 11 DC UNSUPPORTED . . . . . . . 4813 1 1 1 2 12 DG UNSUPPORTED . . . . . . . 4813 1 1 1 2 13 DC UNSUPPORTED . . . . . . . 4813 1 1 1 2 14 DT UNSUPPORTED . . . . . . . 4813 1 1 1 2 15 DC UNSUPPORTED . . . . . . . 4813 1 1 1 2 16 DA UNSUPPORTED . . . . . . . 4813 1 1 1 2 17 DC UNSUPPORTED . . . . . . . 4813 1 1 1 2 18 DA UNSUPPORTED . . . . . . . 4813 1 1 1 2 19 DA UNSUPPORTED . . . . . . . 4813 1 1 1 2 20 DT UNSUPPORTED . . . . . . . 4813 1 1 1 2 21 DT UNSUPPORTED . . . . . . . 4813 1 1 1 2 22 DC UNSUPPORTED . . . . . . . 4813 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 18 GLN CA 55.7 . 56.62 2.19 6.7442e-01 4813 1 1 1 1 18 GLN H 5.539 A 8.22 0.62 1.5309e-05 4813 1 1 1 1 18 GLN HE21 6.554 . 7.17 0.46 1.8053e-01 4813 1 1 1 1 18 GLN HE22 7.105 . 7.07 0.49 9.4306e-01 4813 1 1 1 1 18 GLN N 121.688 . 119.92 4.01 6.5929e-01 4813 1 1 1 1 18 GLN NE2 109.314 . 111.81 2.2 2.5657e-01 4813 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 18 GLN LEU 0.13 4813 1 1 1 1 18 GLN MET 0.11 4813 1 1 1 1 18 GLN HIS 0.1 4813 1 1 1 1 18 GLN GLN 0.09 4813 1 1 1 1 18 GLN LYS 0.08 4813 1 1 1 1 18 GLN CYS 0.08 4813 1 1 1 1 18 GLN ARG 0.08 4813 1 1 1 1 18 GLN ASP 0.07 4813 1 1 1 1 18 GLN GLU 0.05 4813 1 1 1 1 18 GLN TYR 0.05 4813 1 1 1 1 18 GLN ASN 0.03 4813 1 1 1 1 18 GLN ALA 0.03 4813 1 1 1 1 18 GLN SER 0.02 4813 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4813 _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 4813 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 4813 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 4813 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4813 _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_