data_AVS_bmrb_pdb_report_19239 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19239 _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 57 LYS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19239 1 1 1 1 144 ARG Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 19239 1 1 1 1 173 TYR Anomalous Suspicious Suspicious Consistent Anomalous Consistent "CA > CB" 0.9986 19239 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 57 LYS C 171.452 . 176.64 2 9.4866e-03 19239 1 1 1 1 57 LYS CA 49.879 . 56.95 2.2 1.3086e-03 19239 1 1 1 1 57 LYS CB 33.739 . 32.79 1.78 5.9393e-01 19239 1 1 1 1 57 LYS H 8.167 . 8.19 0.6 9.6942e-01 19239 1 1 1 1 57 LYS N 181.007 A 121.05 3.77 5.9717e-57 19239 1 1 1 1 144 ARG C 54.691 A 176.41 2.03 0.0000e+00 19239 1 1 1 1 144 ARG CA 57.169 . 56.77 2.31 8.6287e-01 19239 1 1 1 1 144 ARG CB 34.255 . 30.7 1.83 5.2062e-02 19239 1 1 1 1 144 ARG H 8.171 . 8.24 0.61 9.0994e-01 19239 1 1 1 1 144 ARG N 115.279 . 120.8 3.68 1.3354e-01 19239 1 1 1 1 173 TYR C 170.976 . 175.4 1.99 2.6208e-02 19239 1 1 1 1 173 TYR CA 53.857 . 58.13 2.51 8.8682e-02 19239 1 1 1 1 173 TYR CB 130.377 A 39.32 2.16 0.0000e+00 19239 1 1 1 1 173 TYR H 7.972 . 8.32 0.73 6.3357e-01 19239 1 1 1 1 173 TYR N 130.372 . 120.52 4.2 1.8991e-02 19239 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 57 LYS PRO 0.75 19239 1 1 1 1 57 LYS CYS 0.11 19239 1 1 1 1 57 LYS MET 0.05 19239 1 1 1 1 57 LYS GLN 0.02 19239 1 1 1 1 57 LYS LYS 0.01 19239 1 1 1 1 57 LYS HIS 0.01 19239 1 1 1 1 144 ARG CYS 0.21 19239 1 1 1 1 144 ARG GLN 0.2 19239 1 1 1 1 144 ARG MET 0.18 19239 1 1 1 1 144 ARG LYS 0.16 19239 1 1 1 1 144 ARG GLU 0.07 19239 1 1 1 1 144 ARG ARG 0.03 19239 1 1 1 1 144 ARG HIS 0.03 19239 1 1 1 1 144 ARG VAL 0.02 19239 1 1 1 1 144 ARG TRP 0.02 19239 1 1 1 1 144 ARG TYR 0.01 19239 1 1 1 1 173 TYR HIS 0.53 19239 1 1 1 1 173 TYR PHE 0.27 19239 1 1 1 1 173 TYR TRP 0.19 19239 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19239 _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 19239 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19239 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19239 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19239 _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_