data_AVS_bmrb_pdb_report_11330 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11330 _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 83 THR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 11330 1 1 1 1 101 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11330 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 83 THR C 169.828 . 174.6 1.8 8.0227e-03 11330 1 1 1 1 83 THR CA 69.270 A 62.15 2.72 8.8538e-03 11330 1 1 1 1 83 THR CB 69.308 . 69.64 1.7 8.4516e-01 11330 1 1 1 1 83 THR CG2 18.466 . 21.44 1.39 3.2390e-02 11330 1 1 1 1 83 THR H 8.381 . 8.27 0.62 8.5791e-01 11330 1 1 1 1 83 THR HA 4.782 . 4.48 0.5 5.4584e-01 11330 1 1 1 1 83 THR HB 3.882 . 4.17 0.37 4.3635e-01 11330 1 1 1 1 83 THR HG21 0.603 . 1.16 0.28 4.6670e-02 11330 1 1 1 1 83 THR HG22 0.603 . 1.16 0.28 4.6670e-02 11330 1 1 1 1 83 THR HG23 0.603 . 1.16 0.28 4.6670e-02 11330 1 1 1 1 83 THR N 116.314 . 115.7 5.05 9.0323e-01 11330 1 1 1 1 101 GLU C 174.951 . 176.93 2.11 3.4829e-01 11330 1 1 1 1 101 GLU CA 57.549 . 57.42 2.19 9.5303e-01 11330 1 1 1 1 101 GLU CB 29.569 . 30.07 1.84 7.8540e-01 11330 1 1 1 1 101 GLU CG 34.586 . 36.01 1.51 3.4566e-01 11330 1 1 1 1 101 GLU H 6.493 . 8.34 0.61 2.4628e-03 11330 1 1 1 1 101 GLU HA 3.947 . 4.26 0.43 4.6667e-01 11330 1 1 1 1 101 GLU HB2 2.041 . 2.04 0.22 9.9637e-01 11330 1 1 1 1 101 GLU HB3 1.592 . 2.04 0.23 5.1436e-02 11330 1 1 1 1 101 GLU HG2 1.238 S 2.31 0.21 3.3121e-07 11330 1 1 1 1 101 GLU HG3 0.843 A 2.31 0.21 2.8341e-12 11330 1 1 1 1 101 GLU N 110.617 . 120.68 3.68 6.2473e-03 11330 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 83 THR THR 0.98 11330 1 1 1 1 83 THR CYS 0.01 11330 1 1 1 1 101 GLU CYS 0.26 11330 1 1 1 1 101 GLU GLN 0.21 11330 1 1 1 1 101 GLU GLU 0.21 11330 1 1 1 1 101 GLU LYS 0.19 11330 1 1 1 1 101 GLU MET 0.07 11330 1 1 1 1 101 GLU ILE 0.02 11330 1 1 1 1 101 GLU ARG 0.02 11330 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11330 _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 11330 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11330 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11330 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11330 _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_