data_AVS_bmrb_pdb_report_10137 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10137 _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 10137 1 1 1 1 67 CYS Anomalous Consistent Consistent Suspicious Anomalous Consistent . . 10137 1 1 1 1 164 CYS Anomalous Consistent Consistent Suspicious Anomalous Consistent . . 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 10137 1 1 1 1 67 CYS CA 52.272 . 57.43 3.41 1.3038e-01 10137 1 1 1 1 67 CYS CB 19.615 M 34.15 6.77 3.1796e-02 10137 1 1 1 1 67 CYS H 8.477 . 8.42 0.66 9.3118e-01 10137 1 1 1 1 67 CYS HA 4.758 . 4.73 0.57 9.6082e-01 10137 1 1 1 1 67 CYS HB2 1.301 S 2.95 0.43 1.2562e-04 10137 1 1 1 1 67 CYS N 125.995 . 119.95 4.79 2.0695e-01 10137 1 1 1 1 164 CYS CA 52.799 . 57.43 3.41 1.7444e-01 10137 1 1 1 1 164 CYS CB 19.117 M 34.15 6.77 2.6383e-02 10137 1 1 1 1 164 CYS H 8.218 . 8.42 0.66 7.5956e-01 10137 1 1 1 1 164 CYS HA 4.285 . 4.73 0.57 4.3498e-01 10137 1 1 1 1 164 CYS HB2 1.356 S 2.95 0.43 2.0975e-04 10137 1 1 1 1 164 CYS N 123.944 . 119.95 4.79 4.0438e-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 10137 1 1 1 1 67 CYS ALA 0.77 10137 1 1 1 1 67 CYS MET 0.18 10137 1 1 1 1 67 CYS CYS 0.02 10137 1 1 1 1 67 CYS LEU 0.01 10137 1 1 1 1 164 CYS ALA 0.73 10137 1 1 1 1 164 CYS MET 0.22 10137 1 1 1 1 164 CYS CYS 0.02 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10137 _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 10137 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 10137 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 10137 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10137 _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_