data_AVS_bmrb_pdb_report_15193 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15193 _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 13 GLN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15193 1 1 1 1 81 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15193 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 13 GLN C 175.4 . 176.39 1.96 6.1349e-01 15193 1 1 1 1 13 GLN CA 62.1 A 56.62 2.19 1.2340e-02 15193 1 1 1 1 13 GLN CB 27.1 . 29.1 1.97 3.1000e-01 15193 1 1 1 1 13 GLN CG 31.1 . 33.72 1.1 1.7227e-02 15193 1 1 1 1 13 GLN H 8.08 . 8.22 0.62 8.2135e-01 15193 1 1 1 1 13 GLN HA 3.27 . 4.28 0.44 2.1707e-02 15193 1 1 1 1 13 GLN HB2 2.26 . 2.05 0.28 4.5325e-01 15193 1 1 1 1 13 GLN HB3 2.00 . 2.04 0.29 8.9030e-01 15193 1 1 1 1 13 GLN HG2 2.12 . 2.32 0.29 4.9041e-01 15193 1 1 1 1 13 GLN HG3 2.05 . 2.32 0.29 3.5184e-01 15193 1 1 1 1 13 GLN HE21 6.49 . 7.17 0.46 1.3934e-01 15193 1 1 1 1 13 GLN HE22 7.21 . 7.07 0.49 7.7510e-01 15193 1 1 1 1 13 GLN N 126.4 . 119.92 4.01 1.0610e-01 15193 1 1 1 1 81 GLU C 174.3 . 176.93 2.11 2.1260e-01 15193 1 1 1 1 81 GLU CA 54.7 . 57.42 2.19 2.1423e-01 15193 1 1 1 1 81 GLU CB 31.6 . 30.07 1.84 4.0568e-01 15193 1 1 1 1 81 GLU CG 34.1 . 36.01 1.51 2.0591e-01 15193 1 1 1 1 81 GLU H 9.26 . 8.34 0.61 1.3150e-01 15193 1 1 1 1 81 GLU HA 4.10 . 4.26 0.43 7.0982e-01 15193 1 1 1 1 81 GLU HB2 1.56 . 2.04 0.22 2.9123e-02 15193 1 1 1 1 81 GLU HB3 1.05 S 2.04 0.23 1.6748e-05 15193 1 1 1 1 81 GLU HG2 1.22 S 2.31 0.21 2.0976e-07 15193 1 1 1 1 81 GLU HG3 0.44 A 2.31 0.21 5.3501e-19 15193 1 1 1 1 81 GLU N 123.7 . 120.68 3.68 4.1184e-01 15193 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 13 GLN PRO 0.57 15193 1 1 1 1 13 GLN CYS 0.23 15193 1 1 1 1 13 GLN ARG 0.13 15193 1 1 1 1 13 GLN LYS 0.03 15193 1 1 1 1 81 GLU MET 0.34 15193 1 1 1 1 81 GLU CYS 0.29 15193 1 1 1 1 81 GLU GLN 0.19 15193 1 1 1 1 81 GLU GLU 0.11 15193 1 1 1 1 81 GLU LYS 0.05 15193 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15193 _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 15193 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15193 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15193 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15193 _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_