data_AVS_bmrb_pdb_report_15814 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15814 _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 Duplicate Duplicate . . 15814 1 1 1 1 29 GLU Anomalous Consistent Consistent Anomalous Duplicate Duplicate . . 15814 1 1 1 1 82 GLU Anomalous Consistent Consistent Anomalous Duplicate Duplicate . . 15814 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 C 177.1 . 176.93 2.11 9.3579e-01 15814 1 1 1 1 15 GLU CA 57.19 D 57.42 2.19 9.1636e-01 15814 1 1 1 1 15 GLU CB 30.53 D 30.07 1.84 8.0259e-01 15814 1 1 1 1 15 GLU CG 36.719 . 36.01 1.51 6.3869e-01 15814 1 1 1 1 15 GLU H 8.426 D 8.34 0.61 8.8788e-01 15814 1 1 1 1 15 GLU HA 4.334 D 4.26 0.43 8.6336e-01 15814 1 1 1 1 15 GLU HB2 2.240 . 2.04 0.22 3.6330e-01 15814 1 1 1 1 15 GLU HB3 2.240 . 2.04 0.23 3.8454e-01 15814 1 1 1 1 15 GLU HG2 0.38 A 2.31 0.21 3.9111e-20 15814 1 1 1 1 15 GLU HG3 0.38 A 2.31 0.21 3.9111e-20 15814 1 1 1 1 15 GLU N 120.5 D 120.68 3.68 9.6099e-01 15814 1 1 1 1 29 GLU C 176.1 D 176.93 2.11 6.9405e-01 15814 1 1 1 1 29 GLU CA 56.82 D 57.42 2.19 7.8411e-01 15814 1 1 1 1 29 GLU CB 30.66 D 30.07 1.84 7.4847e-01 15814 1 1 1 1 29 GLU CG 37.230 . 36.01 1.51 4.1912e-01 15814 1 1 1 1 29 GLU H 8.485 D 8.34 0.61 8.1211e-01 15814 1 1 1 1 29 GLU HA 4.297 D 4.26 0.43 9.3143e-01 15814 1 1 1 1 29 GLU HB2 1.991 . 2.04 0.22 8.2375e-01 15814 1 1 1 1 29 GLU HB3 1.991 . 2.04 0.23 8.3129e-01 15814 1 1 1 1 29 GLU HG2 3.82 A 2.31 0.21 6.4566e-13 15814 1 1 1 1 29 GLU HG3 3.82 A 2.31 0.21 6.4566e-13 15814 1 1 1 1 29 GLU N 120.0 D 120.68 3.68 8.5340e-01 15814 1 1 1 1 82 GLU C 176.7 D 176.93 2.11 9.1320e-01 15814 1 1 1 1 82 GLU CA 56.79 D 57.42 2.19 7.7360e-01 15814 1 1 1 1 82 GLU CB 30.64 D 30.07 1.84 7.5673e-01 15814 1 1 1 1 82 GLU CG 35.951 . 36.01 1.51 9.6883e-01 15814 1 1 1 1 82 GLU H 8.606 D 8.34 0.61 6.6279e-01 15814 1 1 1 1 82 GLU HA 4.144 . 4.26 0.43 7.8734e-01 15814 1 1 1 1 82 GLU HB2 2.179 . 2.04 0.22 5.2751e-01 15814 1 1 1 1 82 GLU HB3 1.970 . 2.04 0.23 7.6086e-01 15814 1 1 1 1 82 GLU HG2 0.458 A 2.31 0.21 1.1544e-18 15814 1 1 1 1 82 GLU HG3 0.458 A 2.31 0.21 1.1544e-18 15814 1 1 1 1 82 GLU N 124.4 D 120.68 3.68 3.1208e-01 15814 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 GLU 0.39 15814 1 1 1 1 15 GLU CYS 0.38 15814 1 1 1 1 15 GLU MET 0.09 15814 1 1 1 1 15 GLU ILE 0.07 15814 1 1 1 1 15 GLU LYS 0.04 15814 1 1 1 1 29 GLU CYS 0.41 15814 1 1 1 1 29 GLU GLU 0.39 15814 1 1 1 1 29 GLU MET 0.08 15814 1 1 1 1 29 GLU ILE 0.07 15814 1 1 1 1 29 GLU LYS 0.02 15814 1 1 1 1 82 GLU GLU 0.37 15814 1 1 1 1 82 GLU CYS 0.35 15814 1 1 1 1 82 GLU MET 0.15 15814 1 1 1 1 82 GLU LYS 0.07 15814 1 1 1 1 82 GLU ILE 0.03 15814 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15814 _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 15814 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15814 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15814 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15814 _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_