data_AVS_bmrb_pdb_report_4700 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4700 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 4700 1 1 1 1 92 ASN Anomalous Consistent Consistent Anomalous Consistent Consistent . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 4700 1 1 1 1 92 ASN CA 54.75 . 53.43 1.94 4.9624e-01 4700 1 1 1 1 92 ASN CB 38.07 . 38.66 1.78 7.4030e-01 4700 1 1 1 1 92 ASN H 8.191 . 8.37 0.65 7.8302e-01 4700 1 1 1 1 92 ASN HA 4.824 . 4.7 0.39 7.5052e-01 4700 1 1 1 1 92 ASN HB2 3.370 . 2.8 0.34 9.3646e-02 4700 1 1 1 1 92 ASN HB3 2.902 . 2.78 0.34 7.1973e-01 4700 1 1 1 1 92 ASN HD21 6.807 . 7.27 0.52 3.7326e-01 4700 1 1 1 1 92 ASN HD22 10.332 M 7.2 0.52 1.7113e-09 4700 1 1 1 1 92 ASN N 113.68 . 119.13 4.42 2.1756e-01 4700 1 1 1 1 92 ASN ND2 115.45 . 112.83 2.6 3.1360e-01 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 4700 1 1 1 1 92 ASN ASN 0.27 4700 1 1 1 1 92 ASN CYS 0.22 4700 1 1 1 1 92 ASN TYR 0.15 4700 1 1 1 1 92 ASN ASP 0.1 4700 1 1 1 1 92 ASN PHE 0.1 4700 1 1 1 1 92 ASN GLU 0.06 4700 1 1 1 1 92 ASN LEU 0.02 4700 1 1 1 1 92 ASN MET 0.02 4700 1 1 1 1 92 ASN ILE 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4700 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 4700 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 4700 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 4700 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4700 _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_