data_AVS_bmrb_pdb_report_26557 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 26557 _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 1 120 PRO Anomalous Consistent Suspicious Indeterminable Anomalous Indeterminable "C > CA" 1.0000 26557 1 1 1 1 140 ALA Anomalous Suspicious Suspicious Consistent Anomalous Consistent "CA > CB" 0.9995 26557 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 1 120 PRO C 32.1 A 176.75 1.51 0.0000e+00 26557 1 1 1 1 120 PRO CA 63.3 . 63.33 1.52 9.8425e-01 26557 1 1 1 1 140 ALA CA 20.1 A 53.14 1.98 1.6331e-62 26557 1 1 1 1 140 ALA CB 53.8 A 19.01 1.83 1.3848e-80 26557 1 1 1 1 140 ALA H 8.10 . 8.2 0.6 8.6763e-01 26557 1 1 1 1 140 ALA N 131.2 . 123.23 3.54 2.4359e-02 26557 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 1 120 PRO PRO 0.25 26557 1 1 1 1 120 PRO VAL 0.2 26557 1 1 1 1 120 PRO SER 0.19 26557 1 1 1 1 120 PRO THR 0.17 26557 1 1 1 1 120 PRO ILE 0.13 26557 1 1 1 1 120 PRO PHE 0.01 26557 1 1 1 1 120 PRO TYR 0.01 26557 1 1 1 1 140 ALA MET 0.61 26557 1 1 1 1 140 ALA LEU 0.3 26557 1 1 1 1 140 ALA VAL 0.04 26557 1 1 1 1 140 ALA ILE 0.01 26557 1 1 1 1 140 ALA THR 0.01 26557 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 26557 _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 26557 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 26557 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 26557 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 26557 _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_