data_AVS_bmrb_pdb_report_16994 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16994 _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 83 ASN Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16994 1 1 1 2 1 CA UNSUPPORTED . . . . . . . 16994 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 83 ASN CA 50.6 . 53.43 1.94 1.4463e-01 16994 1 1 1 1 83 ASN CB 38.2 . 38.66 1.78 7.9608e-01 16994 1 1 1 1 83 ASN H 9.38 . 8.37 0.65 1.2022e-01 16994 1 1 1 1 83 ASN HA 5.23 . 4.7 0.39 1.7415e-01 16994 1 1 1 1 83 ASN HB2 3.33 . 2.8 0.34 1.1904e-01 16994 1 1 1 1 83 ASN HB3 3.21 . 2.78 0.34 2.0598e-01 16994 1 1 1 1 83 ASN HD21 7.29 . 7.27 0.52 9.6932e-01 16994 1 1 1 1 83 ASN HD22 6.86 . 7.2 0.52 5.1321e-01 16994 1 1 1 1 83 ASN N 134.9 A 119.13 4.42 3.5989e-04 16994 1 1 1 1 83 ASN ND2 115.1 . 112.83 2.6 3.8262e-01 16994 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 83 ASN ASN 0.6 16994 1 1 1 1 83 ASN CYS 0.2 16994 1 1 1 1 83 ASN ASP 0.1 16994 1 1 1 1 83 ASN TYR 0.03 16994 1 1 1 1 83 ASN PHE 0.02 16994 1 1 1 1 83 ASN LEU 0.01 16994 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16994 _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 16994 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16994 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16994 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16994 _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_