data_AVS_bmrb_pdb_report_15061 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15061 _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 15061 1 1 1 1 119 GLU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 15061 1 1 1 1 153 TYR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15061 1 1 1 1 169 GLU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 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 15061 1 1 1 1 119 GLU C 175.87 . 176.93 2.11 6.1541e-01 15061 1 1 1 1 119 GLU CA 57.393 . 57.42 2.19 9.9016e-01 15061 1 1 1 1 119 GLU CB 28.839 . 30.07 1.84 5.0348e-01 15061 1 1 1 1 119 GLU CG 34.185 . 36.01 1.51 2.2681e-01 15061 1 1 1 1 119 GLU H 8.395 . 8.34 0.61 9.2816e-01 15061 1 1 1 1 119 GLU HA 4.105 . 4.26 0.43 7.1850e-01 15061 1 1 1 1 119 GLU HB2 2.382 . 2.04 0.22 1.2005e-01 15061 1 1 1 1 119 GLU HB3 2.043 . 2.04 0.23 9.8959e-01 15061 1 1 1 1 119 GLU HG2 2.303 . 2.31 0.21 9.7341e-01 15061 1 1 1 1 119 GLU HG3 2.131 . 2.31 0.21 3.9400e-01 15061 1 1 1 1 119 GLU N 109.652 M 120.68 3.68 2.7288e-03 15061 1 1 1 1 153 TYR C 175.21 . 175.39 1.89 9.2413e-01 15061 1 1 1 1 153 TYR CA 58.75 . 58.02 2.64 7.8215e-01 15061 1 1 1 1 153 TYR CB 47.223 M 39.16 2.23 2.9954e-04 15061 1 1 1 1 153 TYR CD1 133.749 . 132.54 1.35 3.7049e-01 15061 1 1 1 1 153 TYR CE1 119.838 . 117.81 2.09 3.3188e-01 15061 1 1 1 1 153 TYR H 9.041 . 8.37 0.75 3.7097e-01 15061 1 1 1 1 153 TYR HA 5.698 . 4.63 0.56 5.6502e-02 15061 1 1 1 1 153 TYR HB2 3.112 . 2.91 0.37 5.8510e-01 15061 1 1 1 1 153 TYR HB3 2.613 . 2.91 0.37 4.2215e-01 15061 1 1 1 1 153 TYR HD1 7.314 . 6.87 0.65 4.9456e-01 15061 1 1 1 1 153 TYR HD2 7.314 . 6.86 0.68 5.0436e-01 15061 1 1 1 1 153 TYR HE1 7.333 . 6.64 0.58 2.3215e-01 15061 1 1 1 1 153 TYR HE2 7.333 . 6.63 0.61 2.4913e-01 15061 1 1 1 1 153 TYR N 118.235 . 120.79 4.69 5.8591e-01 15061 1 1 1 1 169 GLU C 177.18 . 176.93 2.11 9.0568e-01 15061 1 1 1 1 169 GLU CA 61.717 . 57.42 2.19 4.9751e-02 15061 1 1 1 1 169 GLU CB 28.46 . 30.07 1.84 3.8157e-01 15061 1 1 1 1 169 GLU CG 38.33 . 36.01 1.51 1.2443e-01 15061 1 1 1 1 169 GLU H 7.262 . 8.34 0.61 7.7193e-02 15061 1 1 1 1 169 GLU HA 3.284 . 4.26 0.43 2.3222e-02 15061 1 1 1 1 169 GLU HB2 2.58 . 2.04 0.22 1.4106e-02 15061 1 1 1 1 169 GLU HB3 1.891 . 2.04 0.23 5.1710e-01 15061 1 1 1 1 169 GLU HG2 2.138 . 2.31 0.21 4.1276e-01 15061 1 1 1 1 169 GLU HG3 2.138 . 2.31 0.21 4.1276e-01 15061 1 1 1 1 169 GLU N 107.857 M 120.68 3.68 4.9304e-04 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 15061 1 1 1 1 119 GLU LYS 0.47 15061 1 1 1 1 119 GLU GLU 0.31 15061 1 1 1 1 119 GLU ARG 0.09 15061 1 1 1 1 119 GLU MET 0.07 15061 1 1 1 1 119 GLU ILE 0.03 15061 1 1 1 1 153 TYR GLY 0.97 15061 1 1 1 1 153 TYR TYR 0.02 15061 1 1 1 1 169 GLU ILE 0.92 15061 1 1 1 1 169 GLU GLU 0.06 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15061 _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 15061 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 15061 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15061 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15061 _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_