data_AVS_bmrb_pdb_report_34514 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 34514 _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 54 THR Anomalous Consistent Consistent Anomalous Consistent Consistent . . 34514 1 1 1 1 66 THR Anomalous Consistent Consistent Anomalous Consistent Consistent . . 34514 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 54 THR CA 60.609 . 62.22 2.59 5.3394e-01 34514 1 1 1 1 54 THR CB 71.497 . 69.73 1.63 2.7834e-01 34514 1 1 1 1 54 THR CG2 21.731 . 21.55 1.11 8.7047e-01 34514 1 1 1 1 54 THR H 8.810 . 8.24 0.62 3.5791e-01 34514 1 1 1 1 54 THR HA 4.827 . 4.46 0.48 4.4452e-01 34514 1 1 1 1 54 THR HB 3.993 . 4.17 0.33 5.9171e-01 34514 1 1 1 1 54 THR HG1 9.308 A 4.92 1.58 5.4827e-03 34514 1 1 1 1 54 THR HG21 1.084 . 1.14 0.23 8.0763e-01 34514 1 1 1 1 54 THR HG22 1.084 . 1.14 0.23 8.0763e-01 34514 1 1 1 1 54 THR HG23 1.084 . 1.14 0.23 8.0763e-01 34514 1 1 1 1 54 THR N 113.370 . 115.42 4.75 6.6605e-01 34514 1 1 1 1 66 THR CA 60.223 . 62.22 2.59 4.4068e-01 34514 1 1 1 1 66 THR CB 70.279 . 69.73 1.63 7.3626e-01 34514 1 1 1 1 66 THR CG2 21.414 . 21.55 1.11 9.0249e-01 34514 1 1 1 1 66 THR H 8.178 . 8.24 0.62 9.2034e-01 34514 1 1 1 1 66 THR HA 5.628 . 4.46 0.48 1.4961e-02 34514 1 1 1 1 66 THR HB 3.909 . 4.17 0.33 4.2900e-01 34514 1 1 1 1 66 THR HG1 9.081 A 4.92 1.58 8.4499e-03 34514 1 1 1 1 66 THR HG21 1.076 . 1.14 0.23 7.8081e-01 34514 1 1 1 1 66 THR HG22 1.076 . 1.14 0.23 7.8081e-01 34514 1 1 1 1 66 THR HG23 1.076 . 1.14 0.23 7.8081e-01 34514 1 1 1 1 66 THR N 119.075 . 115.42 4.75 4.4161e-01 34514 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 54 THR THR 0.99 34514 1 1 1 1 66 THR THR 0.99 34514 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 34514 _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 34514 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 34514 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 34514 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 34514 _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_