data_AVS_bmrb_pdb_report_18012 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18012 _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 30 ASP Anomalous Consistent Consistent Consistent Anomalous Indeterminable . . 18012 1 1 1 1 114 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 18012 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 30 ASP C 124.898 A 176.4 1.75 0.0000e+00 18012 1 1 1 1 30 ASP CA 55.640 . 54.69 2.03 6.3980e-01 18012 1 1 1 1 30 ASP CB 40.253 . 40.88 1.62 6.9873e-01 18012 1 1 1 1 30 ASP HA 4.433 . 4.59 0.32 6.2369e-01 18012 1 1 1 1 30 ASP HB2 3.088 . 2.72 0.26 1.5696e-01 18012 1 1 1 1 30 ASP HB3 2.735 . 2.66 0.28 7.8881e-01 18012 1 1 1 1 114 GLU C 177.862 . 176.87 1.95 6.1095e-01 18012 1 1 1 1 114 GLU CA 58.577 . 57.32 2.09 5.4755e-01 18012 1 1 1 1 114 GLU CB 30.110 . 30.01 1.72 9.5364e-01 18012 1 1 1 1 114 GLU CG 34.139 . 36.11 1.19 9.7661e-02 18012 1 1 1 1 114 GLU H 7.780 . 8.33 0.59 3.5123e-01 18012 1 1 1 1 114 GLU HA 3.448 . 4.25 0.41 5.0454e-02 18012 1 1 1 1 114 GLU HB2 1.373 . 2.02 0.21 2.0634e-03 18012 1 1 1 1 114 GLU HB3 1.741 . 1.99 0.23 2.7898e-01 18012 1 1 1 1 114 GLU HG2 1.259 S 2.27 0.21 1.4773e-06 18012 1 1 1 1 114 GLU HG3 0.417 A 2.25 0.22 7.9610e-17 18012 1 1 1 1 114 GLU N 124.923 . 120.67 3.48 2.2166e-01 18012 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 30 ASP ASP 0.24 18012 1 1 1 1 30 ASP PHE 0.18 18012 1 1 1 1 30 ASP TYR 0.16 18012 1 1 1 1 30 ASP LEU 0.16 18012 1 1 1 1 30 ASP ASN 0.1 18012 1 1 1 1 30 ASP CYS 0.09 18012 1 1 1 1 30 ASP LYS 0.03 18012 1 1 1 1 30 ASP ILE 0.01 18012 1 1 1 1 114 GLU CYS 0.32 18012 1 1 1 1 114 GLU GLN 0.25 18012 1 1 1 1 114 GLU LYS 0.17 18012 1 1 1 1 114 GLU GLU 0.12 18012 1 1 1 1 114 GLU MET 0.09 18012 1 1 1 1 114 GLU ILE 0.01 18012 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18012 _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 18012 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18012 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18012 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18012 _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_