data_AVS_bmrb_pdb_report_15276 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15276 _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 15276 1 1 1 1 51 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15276 1 1 1 1 76 LEU Anomalous Consistent Consistent Anomalous Consistent 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 15276 1 1 1 1 51 GLU C 176.6 . 176.93 2.11 8.7572e-01 15276 1 1 1 1 51 GLU CA 57.4 . 57.42 2.19 9.9271e-01 15276 1 1 1 1 51 GLU CB 26.8 . 30.07 1.84 7.5540e-02 15276 1 1 1 1 51 GLU CG 35.6 . 36.01 1.51 7.8599e-01 15276 1 1 1 1 51 GLU H 9.27 . 8.34 0.61 1.2736e-01 15276 1 1 1 1 51 GLU HA 3.04 . 4.26 0.43 4.5510e-03 15276 1 1 1 1 51 GLU HB2 1.56 . 2.04 0.22 2.9123e-02 15276 1 1 1 1 51 GLU HB3 1.45 . 2.04 0.23 1.0311e-02 15276 1 1 1 1 51 GLU HG2 1.83 . 2.31 0.21 2.2271e-02 15276 1 1 1 1 51 GLU HG3 0.94 M 2.31 0.21 6.8544e-11 15276 1 1 1 1 51 GLU N 116.1 . 120.68 3.68 2.1329e-01 15276 1 1 1 1 76 LEU C 174.7 . 176.97 2.09 2.7742e-01 15276 1 1 1 1 76 LEU CA 52.5 . 55.65 2.21 1.5406e-01 15276 1 1 1 1 76 LEU CB 41.4 . 42.37 1.86 6.0201e-01 15276 1 1 1 1 76 LEU CG 26.8 . 26.77 1.25 9.8085e-01 15276 1 1 1 1 76 LEU CD1 27.3 . 24.73 1.71 1.3286e-01 15276 1 1 1 1 76 LEU CD2 23.6 . 24.1 1.78 7.7879e-01 15276 1 1 1 1 76 LEU H 8.39 . 8.22 0.65 7.9368e-01 15276 1 1 1 1 76 LEU HA 4.37 . 4.32 0.47 9.1528e-01 15276 1 1 1 1 76 LEU HB2 0.28 S 1.63 0.34 7.1695e-05 15276 1 1 1 1 76 LEU HB3 -1.51 M 1.57 0.36 1.1730e-17 15276 1 1 1 1 76 LEU HG 0.71 . 1.54 0.33 1.1898e-02 15276 1 1 1 1 76 LEU HD1 0.24 . 0.77 0.27 4.9651e-02 15276 1 1 1 1 76 LEU HD2 0.35 . 0.76 0.28 1.4312e-01 15276 1 1 1 1 76 LEU N 127.6 . 121.98 4.07 1.6733e-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 15276 1 1 1 1 51 GLU CYS 0.46 15276 1 1 1 1 51 GLU GLU 0.17 15276 1 1 1 1 51 GLU LYS 0.11 15276 1 1 1 1 51 GLU GLN 0.1 15276 1 1 1 1 51 GLU ILE 0.1 15276 1 1 1 1 51 GLU ARG 0.02 15276 1 1 1 1 51 GLU MET 0.01 15276 1 1 1 1 76 LEU LEU 0.59 15276 1 1 1 1 76 LEU CYS 0.27 15276 1 1 1 1 76 LEU ARG 0.06 15276 1 1 1 1 76 LEU ALA 0.04 15276 1 1 1 1 76 LEU LYS 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15276 _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 15276 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 15276 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15276 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15276 _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_