data_AVS_bmrb_pdb_report_10165 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10165 _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 1 128 ASN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 10165 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 1 128 ASN C 176.607 . 175.16 1.76 4.1099e-01 10165 1 1 1 1 128 ASN CA 53.224 . 53.43 1.94 9.1544e-01 10165 1 1 1 1 128 ASN CB 34.281 . 38.66 1.78 1.3889e-02 10165 1 1 1 1 128 ASN H 9.242 . 8.37 0.65 1.7975e-01 10165 1 1 1 1 128 ASN HA 4.071 . 4.7 0.39 1.0678e-01 10165 1 1 1 1 128 ASN HB2 2.187 . 2.8 0.34 7.1398e-02 10165 1 1 1 1 128 ASN HB3 -0.172 A 2.78 0.34 3.8766e-18 10165 1 1 1 1 128 ASN HD21 6.517 . 7.27 0.52 1.4760e-01 10165 1 1 1 1 128 ASN HD22 6.759 . 7.2 0.52 3.9640e-01 10165 1 1 1 1 128 ASN N 124.865 . 119.13 4.42 1.9446e-01 10165 1 1 1 1 128 ASN ND2 107.840 . 112.83 2.6 5.4955e-02 10165 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 1 128 ASN CYS 0.29 10165 1 1 1 1 128 ASN MET 0.23 10165 1 1 1 1 128 ASN GLN 0.16 10165 1 1 1 1 128 ASN LYS 0.12 10165 1 1 1 1 128 ASN GLU 0.05 10165 1 1 1 1 128 ASN HIS 0.03 10165 1 1 1 1 128 ASN ASN 0.02 10165 1 1 1 1 128 ASN TRP 0.02 10165 1 1 1 1 128 ASN ARG 0.02 10165 1 1 1 1 128 ASN TYR 0.01 10165 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10165 _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 10165 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 10165 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 10165 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10165 _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_