data_AVS_bmrb_pdb_report_4966 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4966 _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 4966 1 1 1 1 3 CYS Anomalous Consistent Consistent Consistent Anomalous Indeterminable . . 4966 1 1 1 1 14 CYS Anomalous Consistent Consistent Consistent Anomalous Indeterminable . . 4966 1 1 1 1 21 CYS Anomalous Consistent Consistent Consistent Anomalous 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 4966 1 1 1 1 3 CYS CA 49.495 M 57.43 3.41 1.9966e-02 4966 1 1 1 1 3 CYS H 8.861 . 8.42 0.66 5.0402e-01 4966 1 1 1 1 3 CYS HA 5.164 . 4.73 0.57 4.4642e-01 4966 1 1 1 1 3 CYS HB2 2.867 . 2.95 0.43 8.4694e-01 4966 1 1 1 1 3 CYS HB3 2.470 . 2.98 0.45 2.5707e-01 4966 1 1 1 1 14 CYS CA 49.552 M 57.43 3.41 2.0874e-02 4966 1 1 1 1 14 CYS H 9.179 . 8.42 0.66 2.5014e-01 4966 1 1 1 1 14 CYS HA 4.995 . 4.73 0.57 6.4199e-01 4966 1 1 1 1 14 CYS HB2 3.549 . 2.95 0.43 1.6361e-01 4966 1 1 1 1 14 CYS HB3 2.835 . 2.98 0.45 7.4728e-01 4966 1 1 1 1 21 CYS CA 49.516 M 57.43 3.41 2.0297e-02 4966 1 1 1 1 21 CYS H 9.050 . 8.42 0.66 3.3981e-01 4966 1 1 1 1 21 CYS HA 6.133 . 4.73 0.57 1.3839e-02 4966 1 1 1 1 21 CYS HB2 3.054 . 2.95 0.43 8.0889e-01 4966 1 1 1 1 21 CYS HB3 2.982 . 2.98 0.45 9.9645e-01 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.PRTL_comp_type _AVS_analysis.PRTL_probability_score 4966 1 1 1 1 3 CYS PRO 0.72 4966 1 1 1 1 3 CYS ALA 0.12 4966 1 1 1 1 3 CYS ASN 0.06 4966 1 1 1 1 3 CYS CYS 0.03 4966 1 1 1 1 3 CYS ASP 0.02 4966 1 1 1 1 14 CYS PRO 0.72 4966 1 1 1 1 14 CYS ALA 0.11 4966 1 1 1 1 14 CYS ASN 0.06 4966 1 1 1 1 14 CYS CYS 0.03 4966 1 1 1 1 14 CYS ASP 0.02 4966 1 1 1 1 21 CYS PRO 0.72 4966 1 1 1 1 21 CYS ALA 0.12 4966 1 1 1 1 21 CYS ASN 0.06 4966 1 1 1 1 21 CYS CYS 0.03 4966 1 1 1 1 21 CYS ASP 0.02 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4966 _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 4966 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 4966 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 4966 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4966 _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_