data_AVS_bmrb_pdb_report_26871 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 26871 _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 1 123 ASN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 26871 1 1 1 1 145 SER Anomalous Consistent Consistent Consistent Consistent Anomalous . . 26871 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 1 123 ASN C 178.2715 . 175.27 1.79 9.3579e-02 26871 1 1 1 1 123 ASN CA 55.9643 . 53.54 1.88 1.9722e-01 26871 1 1 1 1 123 ASN CB 37.3548 . 38.69 1.69 4.2949e-01 26871 1 1 1 1 123 ASN H 7.6707 . 8.34 0.63 2.8806e-01 26871 1 1 1 1 123 ASN HB2 0.0000 A 2.81 0.31 1.2516e-19 26871 1 1 1 1 123 ASN N 117.1369 . 118.93 4.03 6.5636e-01 26871 1 1 1 1 145 SER C 174.6894 . 174.62 1.72 9.6782e-01 26871 1 1 1 1 145 SER CA 56.8320 . 58.72 2.07 3.6173e-01 26871 1 1 1 1 145 SER CB 63.2463 . 63.8 1.48 7.0831e-01 26871 1 1 1 1 145 SER H 8.5893 . 8.28 0.59 6.0011e-01 26871 1 1 1 1 145 SER N 56.8322 A 116.28 3.52 5.4602e-64 26871 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 1 123 ASN CYS 0.22 26871 1 1 1 1 123 ASN GLU 0.18 26871 1 1 1 1 123 ASN TYR 0.18 26871 1 1 1 1 123 ASN PHE 0.12 26871 1 1 1 1 123 ASN ASN 0.12 26871 1 1 1 1 123 ASN MET 0.05 26871 1 1 1 1 123 ASN ILE 0.03 26871 1 1 1 1 123 ASN ASP 0.03 26871 1 1 1 1 123 ASN LYS 0.01 26871 1 1 1 1 123 ASN LEU 0.01 26871 1 1 1 1 145 SER SER 0.99 26871 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 26871 _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 26871 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 26871 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 26871 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 26871 _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_