data_AVS_bmrb_pdb_report_15530 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15530 _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 15530 1 1 1 1 27 TYR Anomalous Suspicious Consistent Consistent Anomalous 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 15530 1 1 1 1 27 TYR C 176.78 . 175.39 1.89 4.6207e-01 15530 1 1 1 1 27 TYR CA 61.26 . 58.02 2.64 2.1972e-01 15530 1 1 1 1 27 TYR CB 38.01 . 39.16 2.23 6.0607e-01 15530 1 1 1 1 27 TYR CD1 116.99 M 132.54 1.35 1.0643e-30 15530 1 1 1 1 27 TYR CD2 116.99 M 132.26 1.99 1.6754e-14 15530 1 1 1 1 27 TYR CE1 132.21 S 117.81 2.09 5.5811e-12 15530 1 1 1 1 27 TYR CE2 132.21 S 117.91 2.6 3.7979e-08 15530 1 1 1 1 27 TYR H 6.85 . 8.37 0.75 4.2697e-02 15530 1 1 1 1 27 TYR HA 3.81 . 4.63 0.56 1.4312e-01 15530 1 1 1 1 27 TYR HB2 2.78 . 2.91 0.37 7.2532e-01 15530 1 1 1 1 27 TYR HB3 2.90 . 2.91 0.37 9.7844e-01 15530 1 1 1 1 27 TYR HD1 6.77 . 6.87 0.65 8.7773e-01 15530 1 1 1 1 27 TYR HD2 6.77 . 6.86 0.68 8.9471e-01 15530 1 1 1 1 27 TYR HE1 6.85 . 6.64 0.58 7.1730e-01 15530 1 1 1 1 27 TYR HE2 6.85 . 6.63 0.61 7.1836e-01 15530 1 1 1 1 27 TYR N 112.14 . 120.79 4.69 6.5132e-02 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 15530 1 1 1 1 27 TYR HIS 0.78 15530 1 1 1 1 27 TYR GLY 0.21 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15530 _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 15530 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 15530 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15530 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15530 _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_