data_AVS_bmrb_pdb_report_2219 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 2219 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 2219 1 1 1 1 43 CYS Anomalous Indeterminable Suspicious Anomalous Indeterminable Indeterminable "H > HB2" 0.9986 2219 1 1 1 1 43 CYS . . . . . . "H > HB3" 0.9986 2219 1 1 1 1 46 CYS Anomalous Indeterminable Suspicious Anomalous Indeterminable Indeterminable "H > HB2" 0.9986 2219 1 1 1 1 46 CYS . . . . . . "H > HB3" 0.9986 2219 1 1 1 1 63 CYS Anomalous Indeterminable Suspicious Anomalous Indeterminable Indeterminable "H > HB2" 0.9986 2219 1 1 1 1 63 CYS . . . . . . "H > HB3" 0.9986 2219 1 1 1 1 77 CYS Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 2219 1 1 1 1 43 CYS H 10.13 . 8.42 0.66 9.5723e-03 2219 1 1 1 1 43 CYS HB2 34.08 M 2.95 0.43 0.0000e+00 2219 1 1 1 1 43 CYS HB3 33.22 M 2.98 0.45 0.0000e+00 2219 1 1 1 1 46 CYS H 7.34 . 8.42 0.66 1.0176e-01 2219 1 1 1 1 46 CYS HA 2.69 S 4.73 0.57 3.4498e-04 2219 1 1 1 1 46 CYS HB2 25.57 M 2.95 0.43 0.0000e+00 2219 1 1 1 1 46 CYS HB3 25.11 M 2.98 0.45 0.0000e+00 2219 1 1 1 1 63 CYS H 9.96 . 8.42 0.66 1.9631e-02 2219 1 1 1 1 63 CYS HB2 107.25 M 2.95 0.43 0.0000e+00 2219 1 1 1 1 63 CYS HB3 36.1 M 2.98 0.45 0.0000e+00 2219 1 1 1 1 77 CYS HA 27 M 4.73 0.57 0.0000e+00 2219 1 1 1 1 77 CYS HB2 38.39 M 2.95 0.43 0.0000e+00 2219 1 1 1 1 77 CYS HB3 29.43 M 2.98 0.45 0.0000e+00 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 2219 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 2219 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 2219 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 2219 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 2219 _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_