data_AVS_bmrb_pdb_report_11354 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11354 _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 19 CYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11354 1 1 1 2 1 ZN UNSUPPORTED . . . . . . . 11354 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 19 CYS C 175.169 . 174.78 1.99 8.4502e-01 11354 1 1 1 1 19 CYS CA 59.532 . 57.43 3.41 5.3762e-01 11354 1 1 1 1 19 CYS CB 30.378 . 34.15 6.77 5.7742e-01 11354 1 1 1 1 19 CYS H 7.155 . 8.42 0.66 5.5280e-02 11354 1 1 1 1 19 CYS HA 3.726 . 4.73 0.57 7.8170e-02 11354 1 1 1 1 19 CYS HB2 4.715 A 2.95 0.43 4.0493e-05 11354 1 1 1 1 19 CYS HB3 2.419 . 2.98 0.45 2.1252e-01 11354 1 1 1 1 19 CYS N 115.458 . 119.95 4.79 3.4835e-01 11354 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 19 CYS TRP 0.17 11354 1 1 1 1 19 CYS CYS 0.15 11354 1 1 1 1 19 CYS GLU 0.13 11354 1 1 1 1 19 CYS ARG 0.12 11354 1 1 1 1 19 CYS HIS 0.08 11354 1 1 1 1 19 CYS ILE 0.08 11354 1 1 1 1 19 CYS GLN 0.07 11354 1 1 1 1 19 CYS VAL 0.06 11354 1 1 1 1 19 CYS LYS 0.05 11354 1 1 1 1 19 CYS MET 0.04 11354 1 1 1 1 19 CYS PRO 0.01 11354 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11354 _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 11354 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11354 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11354 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11354 _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_