data_AVS_bmrb_pdb_report_16599 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16599 _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 54 CYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16599 1 1 1 1 106 TRP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16599 1 1 1 2 1 CZH UNSUPPORTED . . . . . . . 16599 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 54 CYS C 176.9 . 174.78 1.99 2.8673e-01 16599 1 1 1 1 54 CYS CA 67.2 A 57.43 3.41 4.1687e-03 16599 1 1 1 1 54 CYS CB 26.7 . 34.15 6.77 2.7114e-01 16599 1 1 1 1 54 CYS H 8.26 . 8.42 0.66 8.0845e-01 16599 1 1 1 1 54 CYS HA 3.87 . 4.73 0.57 1.3136e-01 16599 1 1 1 1 54 CYS HB2 2.94 . 2.95 0.43 9.8145e-01 16599 1 1 1 1 54 CYS HB3 3.34 . 2.98 0.45 4.2371e-01 16599 1 1 1 1 54 CYS N 114.3 . 119.95 4.79 2.3818e-01 16599 1 1 1 1 106 TRP C 181.2 A 176.1 1.89 6.9671e-03 16599 1 1 1 1 106 TRP CA 62.1 . 57.71 2.65 9.7600e-02 16599 1 1 1 1 106 TRP CB 28.7 . 30.16 2.19 5.0499e-01 16599 1 1 1 1 106 TRP H 9.2 . 8.35 0.84 3.1158e-01 16599 1 1 1 1 106 TRP HA 4.35 . 4.74 0.55 4.7827e-01 16599 1 1 1 1 106 TRP N 120.6 . 121.87 4.58 7.8156e-01 16599 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 54 CYS ILE 0.63 16599 1 1 1 1 54 CYS PRO 0.29 16599 1 1 1 1 54 CYS CYS 0.04 16599 1 1 1 1 54 CYS VAL 0.01 16599 1 1 1 1 106 TRP ILE 0.41 16599 1 1 1 1 106 TRP PRO 0.15 16599 1 1 1 1 106 TRP CYS 0.13 16599 1 1 1 1 106 TRP TRP 0.09 16599 1 1 1 1 106 TRP VAL 0.05 16599 1 1 1 1 106 TRP GLU 0.03 16599 1 1 1 1 106 TRP ARG 0.03 16599 1 1 1 1 106 TRP LYS 0.03 16599 1 1 1 1 106 TRP HIS 0.02 16599 1 1 1 1 106 TRP GLN 0.02 16599 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16599 _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 16599 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16599 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16599 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16599 _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_