data_AVS_bmrb_pdb_report_16566 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16566 _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 65 ASN Anomalous Consistent Consistent Indeterminable Consistent Anomalous . . 16566 1 1 1 1 146 GLN Anomalous Consistent Consistent Indeterminable Anomalous Indeterminable . . 16566 1 1 1 2 3 GLY UNSUPPORTED . . . . . . . 16566 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 65 ASN C 173.5 . 175.16 1.76 3.4559e-01 16566 1 1 1 1 65 ASN CA 53.2 . 53.43 1.94 9.0563e-01 16566 1 1 1 1 65 ASN N 104.7 A 119.13 4.42 1.0958e-03 16566 1 1 1 1 146 GLN CA 59.4 . 56.62 2.19 2.0430e-01 16566 1 1 1 1 146 GLN CB 29.3 . 29.1 1.97 9.1914e-01 16566 1 1 1 1 146 GLN CD 182.4 A 179.68 1.17 2.0083e-02 16566 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 65 ASN ALA 0.25 16566 1 1 1 1 65 ASN ASN 0.23 16566 1 1 1 1 65 ASN ASP 0.13 16566 1 1 1 1 65 ASN LEU 0.06 16566 1 1 1 1 65 ASN CYS 0.05 16566 1 1 1 1 65 ASN MET 0.05 16566 1 1 1 1 65 ASN HIS 0.04 16566 1 1 1 1 65 ASN ARG 0.03 16566 1 1 1 1 65 ASN GLN 0.03 16566 1 1 1 1 65 ASN LYS 0.02 16566 1 1 1 1 65 ASN TRP 0.02 16566 1 1 1 1 65 ASN TYR 0.01 16566 1 1 1 1 65 ASN PHE 0.01 16566 1 1 1 1 65 ASN GLU 0.01 16566 1 1 1 1 146 GLN GLU 0.52 16566 1 1 1 1 146 GLN CYS 0.43 16566 1 1 1 1 146 GLN GLN 0.04 16566 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16566 _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 16566 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16566 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16566 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16566 _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_