data_AVS_bmrb_pdb_report_30070 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 30070 _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 27 TYR Anomalous Consistent Consistent Anomalous Consistent Consistent . . 30070 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 27 TYR C 171.291 . 175.4 1.99 3.8940e-02 30070 1 1 1 1 27 TYR CA 54.108 . 58.13 2.51 1.0907e-01 30070 1 1 1 1 27 TYR CB 37.792 . 39.32 2.16 4.7931e-01 30070 1 1 1 1 27 TYR H 9.044 . 8.32 0.73 3.2130e-01 30070 1 1 1 1 27 TYR HA 4.996 . 4.63 0.56 5.1339e-01 30070 1 1 1 1 27 TYR HB2 2.915 . 2.91 0.37 9.8922e-01 30070 1 1 1 1 27 TYR HB3 2.564 . 2.84 0.39 4.7914e-01 30070 1 1 1 1 27 TYR HD1 7.057 . 6.93 0.3 6.7205e-01 30070 1 1 1 1 27 TYR HD2 7.057 . 6.93 0.3 6.7205e-01 30070 1 1 1 1 27 TYR HE1 6.905 . 6.7 0.23 3.7277e-01 30070 1 1 1 1 27 TYR HE2 6.905 . 6.71 0.23 3.9654e-01 30070 1 1 1 1 27 TYR HH 5.816 A 9.3 1.36 1.0414e-02 30070 1 1 1 1 27 TYR N 122.441 . 120.52 4.2 6.4740e-01 30070 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 27 TYR ASN 0.42 30070 1 1 1 1 27 TYR CYS 0.15 30070 1 1 1 1 27 TYR TYR 0.11 30070 1 1 1 1 27 TYR PHE 0.09 30070 1 1 1 1 27 TYR ASP 0.08 30070 1 1 1 1 27 TYR GLU 0.05 30070 1 1 1 1 27 TYR MET 0.03 30070 1 1 1 1 27 TYR LEU 0.02 30070 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 30070 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _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 30070 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 30070 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 30070 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 30070 _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_