data_AVS_bmrb_pdb_report_16575 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16575 _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 20 ARG Anomalous Indeterminable Consistent Suspicious Indeterminable Anomalous . . 16575 1 1 1 1 31 ASP Anomalous Indeterminable Consistent Anomalous Indeterminable Consistent . . 16575 1 1 1 1 41 ASP Anomalous Indeterminable Suspicious Anomalous Indeterminable Consistent "HA > HB2" 0.9995 16575 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 20 ARG H 7.919 . 8.24 0.61 5.9873e-01 16575 1 1 1 1 20 ARG HA 4.184 . 4.3 0.46 8.0091e-01 16575 1 1 1 1 20 ARG HB2 1.273 . 1.79 0.27 5.5516e-02 16575 1 1 1 1 20 ARG HB3 0.255 S 1.76 0.28 7.6583e-08 16575 1 1 1 1 20 ARG HG2 1.281 . 1.57 0.27 2.8445e-01 16575 1 1 1 1 20 ARG HG3 0.975 . 1.54 0.29 5.1382e-02 16575 1 1 1 1 20 ARG HD2 3.027 . 3.12 0.24 6.9839e-01 16575 1 1 1 1 20 ARG HD3 2.661 . 3.1 0.26 9.1323e-02 16575 1 1 1 1 20 ARG HE 7.019 . 7.4 0.63 5.4534e-01 16575 1 1 1 1 20 ARG N 127.156 . 120.8 3.68 8.4136e-02 16575 1 1 1 1 20 ARG NE 113.103 A 84.63 1.68 1.9839e-64 16575 1 1 1 1 31 ASP H 8.2035 . 8.31 0.58 8.5431e-01 16575 1 1 1 1 31 ASP HA 3.525 S 4.59 0.32 8.7433e-04 16575 1 1 1 1 31 ASP HB2 1.8015 S 2.72 0.26 4.1135e-04 16575 1 1 1 1 31 ASP HB3 -0.232 A 2.66 0.28 5.2334e-25 16575 1 1 1 1 31 ASP N 124.055 . 120.65 3.86 3.7771e-01 16575 1 1 1 1 41 ASP H 8.1085 . 8.31 0.58 7.2828e-01 16575 1 1 1 1 41 ASP HA 2.235 A 4.59 0.32 1.8477e-13 16575 1 1 1 1 41 ASP HB2 2.397 . 2.72 0.26 2.1412e-01 16575 1 1 1 1 41 ASP HB3 2.028 . 2.66 0.28 2.3999e-02 16575 1 1 1 1 41 ASP N 126.890 . 120.65 3.86 1.0597e-01 16575 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16575 _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 16575 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16575 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16575 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16575 _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_