data_AVS_bmrb_pdb_report_16600 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16600 _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 1 117 ASN Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16600 1 1 1 1 211 ASP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16600 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 1 117 ASN C 176.1 . 175.16 1.76 5.9328e-01 16600 1 1 1 1 117 ASN CA 55.7 . 53.43 1.94 2.4196e-01 16600 1 1 1 1 117 ASN CB 41 . 38.66 1.78 1.8864e-01 16600 1 1 1 1 117 ASN H 9.55 . 8.37 0.65 6.9465e-02 16600 1 1 1 1 117 ASN N 135.6 A 119.13 4.42 1.9435e-04 16600 1 1 1 1 211 ASP C 176.5 . 176.41 1.77 9.5945e-01 16600 1 1 1 1 211 ASP CA 50.6 . 54.52 2.1 6.1948e-02 16600 1 1 1 1 211 ASP CB 40.8 . 40.7 1.67 9.5225e-01 16600 1 1 1 1 211 ASP H 12.68 A 8.33 0.57 2.3190e-14 16600 1 1 1 1 211 ASP N 128 . 120.73 4.2 8.3460e-02 16600 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 1 117 ASN ASP 0.19 16600 1 1 1 1 117 ASN LEU 0.17 16600 1 1 1 1 117 ASN LYS 0.15 16600 1 1 1 1 117 ASN PHE 0.13 16600 1 1 1 1 117 ASN CYS 0.12 16600 1 1 1 1 117 ASN TYR 0.11 16600 1 1 1 1 117 ASN ASN 0.05 16600 1 1 1 1 117 ASN ARG 0.03 16600 1 1 1 1 117 ASN ILE 0.01 16600 1 1 1 1 211 ASP ASP 0.33 16600 1 1 1 1 211 ASP ASN 0.31 16600 1 1 1 1 211 ASP CYS 0.15 16600 1 1 1 1 211 ASP LEU 0.09 16600 1 1 1 1 211 ASP PHE 0.03 16600 1 1 1 1 211 ASP TYR 0.02 16600 1 1 1 1 211 ASP LYS 0.02 16600 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16600 _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 16600 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16600 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16600 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16600 _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_