data_AVS_bmrb_pdb_report_19221 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19221 _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 58 ILE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 19221 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 58 ILE C 177.782 . 175.85 1.92 3.1430e-01 19221 1 1 1 1 58 ILE CA 62.530 . 61.61 2.68 7.3138e-01 19221 1 1 1 1 58 ILE CB 38.270 . 38.63 2.02 8.5855e-01 19221 1 1 1 1 58 ILE CG1 29.660 . 27.71 1.68 2.4576e-01 19221 1 1 1 1 58 ILE CG2 18.730 . 17.53 1.36 3.7759e-01 19221 1 1 1 1 58 ILE CD1 14.748 . 13.43 1.67 4.2998e-01 19221 1 1 1 1 58 ILE H 11.871 A 8.28 0.68 1.2856e-07 19221 1 1 1 1 58 ILE HA 4.270 . 4.18 0.56 8.7232e-01 19221 1 1 1 1 58 ILE HB 2.004 . 1.78 0.29 4.3987e-01 19221 1 1 1 1 58 ILE HG12 1.570 . 1.28 0.4 4.6845e-01 19221 1 1 1 1 58 ILE HG13 1.296 . 1.19 0.41 7.9599e-01 19221 1 1 1 1 58 ILE HG21 0.660 . 0.77 0.27 6.8371e-01 19221 1 1 1 1 58 ILE HG22 0.660 . 0.77 0.27 6.8371e-01 19221 1 1 1 1 58 ILE HG23 0.660 . 0.77 0.27 6.8371e-01 19221 1 1 1 1 58 ILE HD11 0.981 . 0.68 0.29 2.9930e-01 19221 1 1 1 1 58 ILE HD12 0.981 . 0.68 0.29 2.9930e-01 19221 1 1 1 1 58 ILE HD13 0.981 . 0.68 0.29 2.9930e-01 19221 1 1 1 1 58 ILE N 124.900 . 121.46 4.28 4.2155e-01 19221 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 58 ILE ILE 0.64 19221 1 1 1 1 58 ILE CYS 0.35 19221 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19221 _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 19221 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19221 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19221 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19221 _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_