data_AVS_bmrb_pdb_report_15312 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15312 _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 15312 1 1 1 1 79 TYR Anomalous Consistent 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 15312 1 1 1 1 79 TYR C 180.49 M 175.39 1.89 6.9671e-03 15312 1 1 1 1 79 TYR CA 63.04 . 58.02 2.64 5.7235e-02 15312 1 1 1 1 79 TYR CB 40.47 . 39.16 2.23 5.5691e-01 15312 1 1 1 1 79 TYR CD1 132.95 . 132.54 1.35 7.6135e-01 15312 1 1 1 1 79 TYR CD2 132.95 . 132.26 1.99 7.2879e-01 15312 1 1 1 1 79 TYR CE1 118.38 . 117.81 2.09 7.8506e-01 15312 1 1 1 1 79 TYR CE2 118.38 . 117.91 2.6 8.5655e-01 15312 1 1 1 1 79 TYR H 8.232 . 8.37 0.75 8.5401e-01 15312 1 1 1 1 79 TYR HA 3.979 . 4.63 0.56 2.4503e-01 15312 1 1 1 1 79 TYR HB2 3.181 . 2.91 0.37 4.6390e-01 15312 1 1 1 1 79 TYR HB3 2.871 . 2.91 0.37 9.1605e-01 15312 1 1 1 1 79 TYR HD1 7.166 . 6.87 0.65 6.4883e-01 15312 1 1 1 1 79 TYR HD2 7.166 . 6.86 0.68 6.5271e-01 15312 1 1 1 1 79 TYR HE1 6.621 . 6.64 0.58 9.7387e-01 15312 1 1 1 1 79 TYR HE2 6.621 . 6.63 0.61 9.8823e-01 15312 1 1 1 1 79 TYR N 117.63 . 120.79 4.69 5.0046e-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 15312 1 1 1 1 79 TYR TYR 0.99 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15312 _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 15312 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 15312 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15312 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15312 _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_