data_AVS_bmrb_pdb_report_16673 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16673 _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 1 129 ARG Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16673 1 1 1 1 187 MET Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16673 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 1 129 ARG C 181.608 A 176.49 2.16 1.7815e-02 16673 1 1 1 1 129 ARG CA 58.148 . 56.95 2.41 6.1912e-01 16673 1 1 1 1 129 ARG CB 28.545 . 30.66 1.77 2.3212e-01 16673 1 1 1 1 129 ARG H 8.581 . 8.24 0.6 5.6981e-01 16673 1 1 1 1 129 ARG N 120.097 . 120.61 3.9 8.9535e-01 16673 1 1 1 1 187 MET C 181.995 A 176.3 2.13 7.5018e-03 16673 1 1 1 1 187 MET CA 59.144 . 56.16 2.34 2.0223e-01 16673 1 1 1 1 187 MET CB 35.291 . 32.9 2.23 2.8363e-01 16673 1 1 1 1 187 MET H 7.907 . 8.26 0.6 5.5631e-01 16673 1 1 1 1 187 MET N 113.122 . 120.1 3.88 7.2105e-02 16673 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 1 129 ARG LYS 0.17 16673 1 1 1 1 129 ARG GLN 0.15 16673 1 1 1 1 129 ARG TRP 0.15 16673 1 1 1 1 129 ARG GLU 0.13 16673 1 1 1 1 129 ARG HIS 0.12 16673 1 1 1 1 129 ARG ARG 0.08 16673 1 1 1 1 129 ARG ILE 0.08 16673 1 1 1 1 129 ARG LEU 0.03 16673 1 1 1 1 129 ARG MET 0.02 16673 1 1 1 1 187 MET GLU 0.3 16673 1 1 1 1 187 MET LYS 0.11 16673 1 1 1 1 187 MET MET 0.11 16673 1 1 1 1 187 MET VAL 0.09 16673 1 1 1 1 187 MET TYR 0.09 16673 1 1 1 1 187 MET ILE 0.09 16673 1 1 1 1 187 MET GLN 0.08 16673 1 1 1 1 187 MET PHE 0.03 16673 1 1 1 1 187 MET TRP 0.02 16673 1 1 1 1 187 MET HIS 0.01 16673 1 1 1 1 187 MET ARG 0.01 16673 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16673 _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 16673 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16673 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16673 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16673 _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_