data_AVS_bmrb_pdb_report_16265 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16265 _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 1 129 CYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16265 1 1 1 1 149 ILE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16265 1 1 1 1 186 MET Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16265 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 1 129 CYS CA 54.80 . 57.43 3.41 4.4055e-01 16265 1 1 1 1 129 CYS CB 17.99 A 34.15 6.77 1.6986e-02 16265 1 1 1 1 129 CYS H 7.36 . 8.42 0.66 1.0826e-01 16265 1 1 1 1 129 CYS N 120.09 . 119.95 4.79 9.7668e-01 16265 1 1 1 1 149 ILE CA 59.96 . 61.59 2.78 5.5765e-01 16265 1 1 1 1 149 ILE CB 45.21 A 38.58 2.09 1.5126e-03 16265 1 1 1 1 149 ILE H 8.10 . 8.26 0.71 8.2171e-01 16265 1 1 1 1 149 ILE N 121.67 . 121.6 4.72 9.8817e-01 16265 1 1 1 1 186 MET CA 54.88 . 56.16 2.34 5.8437e-01 16265 1 1 1 1 186 MET CB 20.98 A 32.9 2.23 9.0272e-08 16265 1 1 1 1 186 MET H 6.92 . 8.26 0.6 2.5527e-02 16265 1 1 1 1 186 MET N 122.99 . 120.1 3.88 4.5637e-01 16265 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 1 129 CYS MET 0.52 16265 1 1 1 1 129 CYS ALA 0.41 16265 1 1 1 1 129 CYS ILE 0.02 16265 1 1 1 1 129 CYS CYS 0.02 16265 1 1 1 1 149 ILE GLY 0.71 16265 1 1 1 1 149 ILE CYS 0.15 16265 1 1 1 1 149 ILE ARG 0.05 16265 1 1 1 1 149 ILE LEU 0.03 16265 1 1 1 1 149 ILE PHE 0.02 16265 1 1 1 1 149 ILE TYR 0.01 16265 1 1 1 1 186 MET ALA 0.48 16265 1 1 1 1 186 MET LEU 0.26 16265 1 1 1 1 186 MET CYS 0.14 16265 1 1 1 1 186 MET VAL 0.05 16265 1 1 1 1 186 MET THR 0.03 16265 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16265 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 1.4 _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 16265 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16265 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16265 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16265 _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_