data_AVS_bmrb_pdb_report_19273 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19273 _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 57 CYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 19273 1 1 1 1 58 ILE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 19273 1 1 1 2 1 FES UNSUPPORTED . . . . . . . 19273 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 57 CYS C 187.591 A 174.95 2.07 1.0167e-09 19273 1 1 1 1 57 CYS CA 55.793 . 58.3 3.33 4.5154e-01 19273 1 1 1 1 57 CYS CB 31.842 . 32.49 6.01 9.1414e-01 19273 1 1 1 1 57 CYS H 9.645 . 8.39 0.67 6.1050e-02 19273 1 1 1 1 57 CYS N 122.619 . 120.17 4.64 5.9764e-01 19273 1 1 1 1 58 ILE C 187.551 A 175.85 1.92 1.0994e-09 19273 1 1 1 1 58 ILE CA 61.229 . 61.61 2.68 8.8695e-01 19273 1 1 1 1 58 ILE CB 40.166 . 38.63 2.02 4.4702e-01 19273 1 1 1 1 58 ILE H 9.344 . 8.28 0.68 1.1765e-01 19273 1 1 1 1 58 ILE N 119.605 . 121.46 4.28 6.6472e-01 19273 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 57 CYS MET 0.18 19273 1 1 1 1 57 CYS LYS 0.14 19273 1 1 1 1 57 CYS ARG 0.14 19273 1 1 1 1 57 CYS CYS 0.14 19273 1 1 1 1 57 CYS HIS 0.13 19273 1 1 1 1 57 CYS TRP 0.09 19273 1 1 1 1 57 CYS GLU 0.08 19273 1 1 1 1 57 CYS GLN 0.06 19273 1 1 1 1 57 CYS VAL 0.01 19273 1 1 1 1 58 ILE ILE 0.37 19273 1 1 1 1 58 ILE PHE 0.23 19273 1 1 1 1 58 ILE TYR 0.21 19273 1 1 1 1 58 ILE CYS 0.15 19273 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19273 _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 19273 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19273 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19273 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19273 _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_