data_AVS_bmrb_pdb_report_5600 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5600 _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 FME UNSUPPORTED . . . . . . . 5600 1 1 1 1 33 ILE Anomalous Suspicious Suspicious Anomalous Suspicious Consistent "CG1 > CG2" 0.9944 5600 1 1 1 3 1 ZN UNSUPPORTED . . . . . . . 5600 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 33 ILE C 174.54 . 175.85 1.92 4.9505e-01 5600 1 1 1 1 33 ILE CA 60.34 . 61.61 2.68 6.3558e-01 5600 1 1 1 1 33 ILE CB 37.89 . 38.63 2.02 7.1411e-01 5600 1 1 1 1 33 ILE CG1 15.42 S 27.71 1.68 2.5647e-13 5600 1 1 1 1 33 ILE CG2 27.09 S 17.53 1.36 2.0741e-12 5600 1 1 1 1 33 ILE CD1 11.95 . 13.43 1.67 3.7550e-01 5600 1 1 1 1 33 ILE H 6.81 . 8.28 0.68 3.0636e-02 5600 1 1 1 1 33 ILE HA 3.55 . 4.18 0.56 2.6059e-01 5600 1 1 1 1 33 ILE HB 0.54 S 1.78 0.29 1.9040e-05 5600 1 1 1 1 33 ILE HG12 0.96 . 1.28 0.4 4.2371e-01 5600 1 1 1 1 33 ILE HG13 0.17 . 1.19 0.41 1.2853e-02 5600 1 1 1 1 33 ILE HG21 0.04 . 0.77 0.27 6.8571e-03 5600 1 1 1 1 33 ILE HG22 0.04 . 0.77 0.27 6.8571e-03 5600 1 1 1 1 33 ILE HG23 0.04 . 0.77 0.27 6.8571e-03 5600 1 1 1 1 33 ILE HD11 -1.22 A 0.68 0.29 5.6877e-11 5600 1 1 1 1 33 ILE HD12 -1.22 A 0.68 0.29 5.6877e-11 5600 1 1 1 1 33 ILE HD13 -1.22 A 0.68 0.29 5.6877e-11 5600 1 1 1 1 33 ILE N 124.41 . 121.46 4.28 4.9066e-01 5600 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 33 ILE CYS 0.99 5600 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5600 _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 5600 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 5600 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 5600 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5600 _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_