data_AVS_bmrb_pdb_report_27572 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 27572 _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 ILE Anomalous Consistent Consistent Consistent Consistent Anomalous . . 27572 1 1 1 1 2 DBU UNSUPPORTED . . . . . . . 27572 1 1 1 1 3 DAL UNSUPPORTED . . . . . . . 27572 1 1 1 1 5 DHA UNSUPPORTED . . . . . . . 27572 1 1 1 1 8 ABU UNSUPPORTED . . . . . . . 27572 1 1 1 1 13 ABU UNSUPPORTED . . . . . . . 27572 1 1 1 1 23 ABU UNSUPPORTED . . . . . . . 27572 1 1 1 1 25 ABU UNSUPPORTED . . . . . . . 27572 1 1 1 1 33 DHA UNSUPPORTED . . . . . . . 27572 1 1 1 2 1 NAG UNSUPPORTED . . . . . . . 27572 1 1 1 2 2 MUB UNSUPPORTED . . . . . . . 27572 1 1 1 2 4 FGA UNSUPPORTED . . . . . . . 27572 1 1 1 2 6 DAL UNSUPPORTED . . . . . . . 27572 1 1 1 2 7 DAL UNSUPPORTED . . . . . . . 27572 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 1 ILE C 170.6 . 175.85 1.92 6.2499e-03 27572 1 1 1 1 1 ILE CA 61.12 . 61.61 2.68 8.5493e-01 27572 1 1 1 1 1 ILE CB 35.68 . 38.63 2.02 1.4418e-01 27572 1 1 1 1 1 ILE CG1 26.56 . 27.71 1.68 4.9364e-01 27572 1 1 1 1 1 ILE CG2 16.8 . 17.53 1.36 5.9143e-01 27572 1 1 1 1 1 ILE CD1 13.83 . 13.43 1.67 8.1070e-01 27572 1 1 1 1 1 ILE H 8.05 . 8.28 0.68 7.3519e-01 27572 1 1 1 1 1 ILE HA 4.59 . 4.18 0.56 4.6408e-01 27572 1 1 1 1 1 ILE N 39.8 A 121.46 4.28 3.7425e-81 27572 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 1 ILE ILE 0.53 27572 1 1 1 1 1 ILE CYS 0.46 27572 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 27572 _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 27572 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 27572 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 27572 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 27572 _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_