data_AVS_bmrb_pdb_report_15083 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15083 _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 DT UNSUPPORTED . . . . . . . 15083 1 1 1 1 2 DT UNSUPPORTED . . . . . . . 15083 1 1 1 1 3 DT UNSUPPORTED . . . . . . . 15083 1 1 1 1 4 DT UNSUPPORTED . . . . . . . 15083 1 1 1 1 5 DG UNSUPPORTED . . . . . . . 15083 1 1 1 1 6 DG UNSUPPORTED . . . . . . . 15083 1 1 1 1 7 DC UNSUPPORTED . . . . . . . 15083 1 1 1 1 8 DA UNSUPPORTED . . . . . . . 15083 1 1 1 1 9 DC UNSUPPORTED . . . . . . . 15083 1 1 1 1 10 DG UNSUPPORTED . . . . . . . 15083 1 1 1 1 11 DT UNSUPPORTED . . . . . . . 15083 1 1 1 1 12 DT UNSUPPORTED . . . . . . . 15083 1 1 1 1 13 DT UNSUPPORTED . . . . . . . 15083 1 1 1 1 14 DC UNSUPPORTED . . . . . . . 15083 1 1 1 2 1 DG UNSUPPORTED . . . . . . . 15083 1 1 1 2 2 DA UNSUPPORTED . . . . . . . 15083 1 1 1 2 3 DA UNSUPPORTED . . . . . . . 15083 1 1 1 2 4 DA UNSUPPORTED . . . . . . . 15083 1 1 1 2 5 DC UNSUPPORTED . . . . . . . 15083 1 1 1 2 6 DG UNSUPPORTED . . . . . . . 15083 1 1 1 2 7 DT UNSUPPORTED . . . . . . . 15083 1 1 1 2 8 DG UNSUPPORTED . . . . . . . 15083 1 1 1 2 9 DC UNSUPPORTED . . . . . . . 15083 1 1 1 2 10 DC UNSUPPORTED . . . . . . . 15083 1 1 1 2 11 DA UNSUPPORTED . . . . . . . 15083 1 1 1 2 12 DA UNSUPPORTED . . . . . . . 15083 1 1 1 2 13 DA UNSUPPORTED . . . . . . . 15083 1 1 1 2 14 DA UNSUPPORTED . . . . . . . 15083 1 1 1 3 24 PRO Anomalous Suspicious Suspicious Consistent Anomalous Indeterminable "CB > CG" 0.9931 15083 1 1 1 3 24 PRO . . . . . . "CD > CB" 0.9992 15083 1 1 1 3 24 PRO . . . . . . "CD > CG" 1.0000 15083 1 1 1 3 52 MET Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 15083 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 24 PRO CA 62.71 . 63.3 1.64 7.1903e-01 15083 1 1 1 3 24 PRO CB 32.215 . 31.81 1.54 7.9256e-01 15083 1 1 1 3 24 PRO CG 51.554 A 27.14 1.18 0.0000e+00 15083 1 1 1 3 24 PRO CD 26.264 A 50.28 1.04 0.0000e+00 15083 1 1 1 3 24 PRO HA 3.909 . 4.41 0.36 1.6402e-01 15083 1 1 1 3 24 PRO HB2 1.637 . 2.05 0.39 2.8961e-01 15083 1 1 1 3 24 PRO HB3 2.365 . 2.05 0.39 4.1927e-01 15083 1 1 1 3 24 PRO HG2 1.729 . 1.93 0.36 5.7662e-01 15083 1 1 1 3 24 PRO HG3 2.02 . 1.92 0.37 7.8695e-01 15083 1 1 1 3 24 PRO HD2 3.427 . 3.64 0.36 5.5407e-01 15083 1 1 1 3 24 PRO HD3 3.492 . 3.63 0.4 7.3009e-01 15083 1 1 1 3 52 MET CB 33.702 . 32.9 2.23 7.1912e-01 15083 1 1 1 3 52 MET CG 55.272 A 32.07 1.45 1.2498e-57 15083 1 1 1 3 52 MET H 8.136 . 8.26 0.6 8.3627e-01 15083 1 1 1 3 52 MET HA 4.168 . 4.39 0.46 6.2937e-01 15083 1 1 1 3 52 MET HB2 2.306 . 2.03 0.38 4.6765e-01 15083 1 1 1 3 52 MET HB3 2.383 . 2.01 0.36 3.0015e-01 15083 1 1 1 3 52 MET HG2 2.659 . 2.44 0.36 5.4297e-01 15083 1 1 1 3 52 MET HG3 2.818 . 2.41 0.4 3.0773e-01 15083 1 1 1 3 52 MET N 120.857 . 120.1 3.88 8.4531e-01 15083 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 24 PRO CYS 0.98 15083 1 1 1 3 24 PRO SER 0.01 15083 1 1 1 3 52 MET GLN 0.27 15083 1 1 1 3 52 MET CYS 0.27 15083 1 1 1 3 52 MET LYS 0.23 15083 1 1 1 3 52 MET HIS 0.06 15083 1 1 1 3 52 MET GLU 0.06 15083 1 1 1 3 52 MET ARG 0.05 15083 1 1 1 3 52 MET VAL 0.01 15083 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15083 _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 15083 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15083 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15083 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15083 _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_