data_AVS_bmrb_pdb_report_11214 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11214 _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 16 TYR Anomalous Consistent Consistent Suspicious Anomalous Consistent . . 11214 1 1 1 1 65 SER Anomalous Consistent Consistent Anomalous Suspicious Consistent . . 11214 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 16 TYR C 170.698 . 175.39 1.89 1.3045e-02 11214 1 1 1 1 16 TYR CA 55.821 . 58.02 2.64 4.0487e-01 11214 1 1 1 1 16 TYR CB 39.675 . 39.16 2.23 8.1736e-01 11214 1 1 1 1 16 TYR CD1 131.135 . 132.54 1.35 2.9800e-01 11214 1 1 1 1 16 TYR CD2 131.135 . 132.26 1.99 5.7185e-01 11214 1 1 1 1 16 TYR CE1 114.852 . 117.81 2.09 1.5698e-01 11214 1 1 1 1 16 TYR CE2 114.852 A 117.91 2.6 2.3953e-01 11214 1 1 1 1 16 TYR H 8.402 . 8.37 0.75 9.6597e-01 11214 1 1 1 1 16 TYR HA 4.424 . 4.63 0.56 7.1298e-01 11214 1 1 1 1 16 TYR HB2 2.241 . 2.91 0.37 7.0590e-02 11214 1 1 1 1 16 TYR HB3 0.784 S 2.91 0.37 9.1409e-09 11214 1 1 1 1 16 TYR HD1 6.930 . 6.87 0.65 9.2645e-01 11214 1 1 1 1 16 TYR HD2 6.930 . 6.86 0.68 9.1801e-01 11214 1 1 1 1 16 TYR HE1 6.625 . 6.64 0.58 9.7937e-01 11214 1 1 1 1 16 TYR HE2 6.625 . 6.63 0.61 9.9346e-01 11214 1 1 1 1 16 TYR N 120.415 . 120.79 4.69 9.3627e-01 11214 1 1 1 1 65 SER C 171.424 . 174.53 1.73 7.2594e-02 11214 1 1 1 1 65 SER CA 57.934 . 58.57 2.12 7.6418e-01 11214 1 1 1 1 65 SER CB 58.166 S 63.8 1.57 3.3254e-04 11214 1 1 1 1 65 SER H 7.362 . 8.29 0.62 1.3445e-01 11214 1 1 1 1 65 SER HA 2.435 S 4.51 0.43 1.3960e-06 11214 1 1 1 1 65 SER HB2 1.712 S 3.88 0.29 7.6699e-14 11214 1 1 1 1 65 SER HB3 1.289 A 3.87 0.31 8.3757e-17 11214 1 1 1 1 65 SER N 121.087 . 116.3 3.95 2.2555e-01 11214 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 16 TYR TYR 0.99 11214 1 1 1 1 65 SER SER 0.99 11214 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11214 _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 11214 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11214 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11214 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11214 _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_