data_AVS_bmrb_pdb_report_19367 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19367 _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 77 ILE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 19367 1 1 1 2 1 DT UNSUPPORTED . . . . . . . 19367 1 1 1 2 2 DG UNSUPPORTED . . . . . . . 19367 1 1 1 2 3 DT UNSUPPORTED . . . . . . . 19367 1 1 1 2 4 DC UNSUPPORTED . . . . . . . 19367 1 1 1 2 5 DA UNSUPPORTED . . . . . . . 19367 1 1 1 2 6 DA UNSUPPORTED . . . . . . . 19367 1 1 1 2 7 DA UNSUPPORTED . . . . . . . 19367 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 77 ILE CA 65.599 . 61.61 2.68 1.3664e-01 19367 1 1 1 1 77 ILE CB 36.937 . 38.63 2.02 4.0196e-01 19367 1 1 1 1 77 ILE CG1 27.231 . 27.71 1.68 7.7555e-01 19367 1 1 1 1 77 ILE CG2 16.285 . 17.53 1.36 3.5996e-01 19367 1 1 1 1 77 ILE CD1 10.389 . 13.43 1.67 6.8613e-02 19367 1 1 1 1 77 ILE H 7.316 . 8.28 0.68 1.5629e-01 19367 1 1 1 1 77 ILE HA 2.853 . 4.18 0.56 1.7805e-02 19367 1 1 1 1 77 ILE HB 1.227 . 1.78 0.29 5.6534e-02 19367 1 1 1 1 77 ILE HG12 -1.130 S 1.28 0.4 1.6911e-09 19367 1 1 1 1 77 ILE HG13 0.553 . 1.19 0.41 1.2027e-01 19367 1 1 1 1 77 ILE HG21 0.188 . 0.77 0.27 3.1118e-02 19367 1 1 1 1 77 ILE HG22 0.188 . 0.77 0.27 3.1118e-02 19367 1 1 1 1 77 ILE HG23 0.188 . 0.77 0.27 3.1118e-02 19367 1 1 1 1 77 ILE HD11 -1.241 A 0.68 0.29 3.4928e-11 19367 1 1 1 1 77 ILE HD12 -1.241 A 0.68 0.29 3.4928e-11 19367 1 1 1 1 77 ILE HD13 -1.241 A 0.68 0.29 3.4928e-11 19367 1 1 1 1 77 ILE N 117.721 . 121.46 4.28 3.8234e-01 19367 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 77 ILE ILE 0.75 19367 1 1 1 1 77 ILE CYS 0.24 19367 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19367 _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 19367 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19367 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19367 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19367 _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_