data_AVS_bmrb_pdb_report_25039 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25039 _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 1 102 ASN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 25039 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 1 102 ASN CA 50.702 . 53.54 1.88 1.3115e-01 25039 1 1 1 1 102 ASN CB 35.564 . 38.69 1.69 6.4356e-02 25039 1 1 1 1 102 ASN H 7.767 . 8.34 0.63 3.6307e-01 25039 1 1 1 1 102 ASN HA 5.114 . 4.67 0.36 2.1745e-01 25039 1 1 1 1 102 ASN HB2 1.622 S 2.81 0.31 1.2697e-04 25039 1 1 1 1 102 ASN HB3 -0.285 A 2.75 0.33 3.6819e-20 25039 1 1 1 1 102 ASN HD21 6.116 . 7.35 0.48 1.0145e-02 25039 1 1 1 1 102 ASN HD22 5.552 . 7.14 0.49 1.1919e-03 25039 1 1 1 1 102 ASN N 122.471 . 118.93 4.03 3.7959e-01 25039 1 1 1 1 102 ASN ND2 106.588 . 112.75 2.23 5.7233e-03 25039 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 1 102 ASN CYS 0.35 25039 1 1 1 1 102 ASN ASN 0.31 25039 1 1 1 1 102 ASN MET 0.15 25039 1 1 1 1 102 ASN PRO 0.03 25039 1 1 1 1 102 ASN GLN 0.03 25039 1 1 1 1 102 ASN GLU 0.03 25039 1 1 1 1 102 ASN LYS 0.02 25039 1 1 1 1 102 ASN TYR 0.01 25039 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25039 _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 25039 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25039 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25039 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25039 _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_