data_AVS_bmrb_pdb_report_25448 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25448 _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 15 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 25448 1 1 1 1 114 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 25448 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 15 GLU CA 54.448 . 57.32 2.09 1.6939e-01 25448 1 1 1 1 15 GLU CB 31.783 . 30.01 1.72 3.0263e-01 25448 1 1 1 1 15 GLU CG 35.153 . 36.11 1.19 4.2128e-01 25448 1 1 1 1 15 GLU H 8.625 . 8.33 0.59 6.1707e-01 25448 1 1 1 1 15 GLU HA 3.218 . 4.25 0.41 1.1833e-02 25448 1 1 1 1 15 GLU HB2 0.068 A 2.02 0.21 1.4688e-20 25448 1 1 1 1 15 GLU HB3 1.398 . 1.99 0.23 1.0056e-02 25448 1 1 1 1 15 GLU HG2 0.700 S 2.27 0.21 7.6508e-14 25448 1 1 1 1 15 GLU HG3 0.638 S 2.25 0.22 2.3488e-13 25448 1 1 1 1 15 GLU N 129.555 . 120.67 3.48 1.0675e-02 25448 1 1 1 1 114 GLU CA 58.669 . 57.32 2.09 5.1863e-01 25448 1 1 1 1 114 GLU CB 30.058 . 30.01 1.72 9.7774e-01 25448 1 1 1 1 114 GLU CG 34.139 . 36.11 1.19 9.7661e-02 25448 1 1 1 1 114 GLU H 7.720 . 8.33 0.59 3.0118e-01 25448 1 1 1 1 114 GLU HA 3.439 . 4.25 0.41 4.7923e-02 25448 1 1 1 1 114 GLU HB2 1.722 . 2.02 0.21 1.5588e-01 25448 1 1 1 1 114 GLU HB3 1.373 . 1.99 0.23 7.3050e-03 25448 1 1 1 1 114 GLU HG2 0.380 A 2.27 0.21 2.2572e-19 25448 1 1 1 1 114 GLU HG3 1.231 S 2.25 0.22 3.6247e-06 25448 1 1 1 1 114 GLU N 125.287 . 120.67 3.48 1.8460e-01 25448 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 15 GLU MET 0.39 25448 1 1 1 1 15 GLU CYS 0.29 25448 1 1 1 1 15 GLU GLU 0.17 25448 1 1 1 1 15 GLU GLN 0.11 25448 1 1 1 1 15 GLU LYS 0.01 25448 1 1 1 1 114 GLU CYS 0.33 25448 1 1 1 1 114 GLU GLN 0.25 25448 1 1 1 1 114 GLU LYS 0.18 25448 1 1 1 1 114 GLU GLU 0.12 25448 1 1 1 1 114 GLU MET 0.08 25448 1 1 1 1 114 GLU ILE 0.01 25448 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25448 _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 25448 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25448 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25448 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25448 _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_