data_AVS_bmrb_pdb_report_15072 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15072 _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 15072 1 1 1 1 96 THR Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 15072 1 1 1 1 98 THR 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 15072 1 1 1 1 96 THR CA 64.7 . 62.15 2.72 3.4850e-01 15072 1 1 1 1 96 THR CB 68.5 . 69.64 1.7 5.0248e-01 15072 1 1 1 1 96 THR CG2 22.0 . 21.44 1.39 6.8704e-01 15072 1 1 1 1 96 THR H 5.70 M 8.27 0.62 3.3957e-05 15072 1 1 1 1 96 THR HA 4.09 . 4.48 0.5 4.3539e-01 15072 1 1 1 1 96 THR HB 4.32 . 4.17 0.37 6.8518e-01 15072 1 1 1 1 96 THR HG2 1.32 . 1.16 0.28 5.6771e-01 15072 1 1 1 1 98 THR CA 69.9 M 62.15 2.72 4.3820e-03 15072 1 1 1 1 98 THR CB 65.7 . 69.64 1.7 2.0469e-02 15072 1 1 1 1 98 THR CG2 22.3 . 21.44 1.39 5.3611e-01 15072 1 1 1 1 98 THR H 7.77 . 8.27 0.62 4.1998e-01 15072 1 1 1 1 98 THR HA 3.67 . 4.48 0.5 1.0523e-01 15072 1 1 1 1 98 THR HB 4.11 . 4.17 0.37 8.7118e-01 15072 1 1 1 1 98 THR HG2 1.03 . 1.16 0.28 6.4244e-01 15072 1 1 1 1 98 THR N 116.0 . 115.7 5.05 9.5263e-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 15072 1 1 1 1 96 THR THR 0.97 15072 1 1 1 1 96 THR CYS 0.02 15072 1 1 1 1 98 THR CYS 0.78 15072 1 1 1 1 98 THR THR 0.21 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15072 _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 15072 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 15072 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15072 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15072 _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_