data_AVS_bmrb_pdb_report_5654 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5654 _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 5654 1 1 1 1 27 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 5654 1 1 1 1 40 ASP 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 5654 1 1 1 1 27 GLU C 180.2632 . 176.93 2.11 1.1417e-01 5654 1 1 1 1 27 GLU CA 60.0689 . 57.42 2.19 2.2645e-01 5654 1 1 1 1 27 GLU CB 29.9267 . 30.07 1.84 9.3792e-01 5654 1 1 1 1 27 GLU CG 36.1875 . 36.01 1.51 9.0642e-01 5654 1 1 1 1 27 GLU H 8.0812 . 8.34 0.61 6.7137e-01 5654 1 1 1 1 27 GLU HA 3.1903 . 4.26 0.43 1.2858e-02 5654 1 1 1 1 27 GLU HB2 1.8858 . 2.04 0.22 4.8336e-01 5654 1 1 1 1 27 GLU HB3 1.8498 . 2.04 0.23 4.0826e-01 5654 1 1 1 1 27 GLU HG2 2.1500 . 2.31 0.21 4.4612e-01 5654 1 1 1 1 27 GLU HG3 0.7184 M 2.31 0.21 3.4810e-14 5654 1 1 1 1 27 GLU N 115.9900 . 120.68 3.68 2.0250e-01 5654 1 1 1 1 40 ASP C 174.7600 . 176.41 1.77 3.5123e-01 5654 1 1 1 1 40 ASP CA 52.8629 . 54.52 2.1 4.3006e-01 5654 1 1 1 1 40 ASP CB 43.2921 . 40.7 1.67 1.2062e-01 5654 1 1 1 1 40 ASP CG 182.6612 M 178.41 1.84 2.0864e-02 5654 1 1 1 1 40 ASP H 8.5873 . 8.33 0.57 6.5170e-01 5654 1 1 1 1 40 ASP HA 4.8305 . 4.61 0.31 4.7690e-01 5654 1 1 1 1 40 ASP HB2 2.5644 . 2.74 0.29 5.4484e-01 5654 1 1 1 1 40 ASP HB3 2.6086 . 2.7 0.29 7.5263e-01 5654 1 1 1 1 40 ASP N 126.3200 . 120.73 4.2 1.8320e-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 5654 1 1 1 1 27 GLU GLU 0.49 5654 1 1 1 1 27 GLU ILE 0.33 5654 1 1 1 1 27 GLU LYS 0.08 5654 1 1 1 1 27 GLU MET 0.04 5654 1 1 1 1 27 GLU GLN 0.03 5654 1 1 1 1 40 ASP GLY 0.79 5654 1 1 1 1 40 ASP ASP 0.2 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5654 _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 5654 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 5654 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5654 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5654 _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_