data_AVS_bmrb_pdb_report_15383 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15383 _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 15383 1 1 1 1 34 HIS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15383 1 1 1 1 107 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15383 1 1 1 1 108 HIS Anomalous Consistent Consistent Consistent Anomalous 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 15383 1 1 1 1 34 HIS C 178.017 . 175.19 2.14 1.8649e-01 15383 1 1 1 1 34 HIS CA 60.800 . 56.37 2.4 6.4917e-02 15383 1 1 1 1 34 HIS CB 30.827 . 29.95 2.15 6.8334e-01 15383 1 1 1 1 34 HIS CD2 112.280 M 119.84 3.3 2.1969e-02 15383 1 1 1 1 34 HIS CE1 136.589 . 136.05 3.58 8.8032e-01 15383 1 1 1 1 34 HIS H 7.033 . 8.25 0.74 1.0005e-01 15383 1 1 1 1 34 HIS HA 4.258 . 4.62 0.51 4.7783e-01 15383 1 1 1 1 34 HIS HB2 3.892 . 3.12 0.43 7.2598e-02 15383 1 1 1 1 34 HIS HB3 3.276 . 3.11 0.45 7.1221e-01 15383 1 1 1 1 34 HIS HD2 6.576 . 7.08 0.5 3.1345e-01 15383 1 1 1 1 34 HIS HE1 7.821 . 8.08 0.57 6.4955e-01 15383 1 1 1 1 34 HIS N 121.357 . 119.44 4.52 6.7148e-01 15383 1 1 1 1 107 GLU C 176.169 . 176.93 2.11 7.1835e-01 15383 1 1 1 1 107 GLU CA 58.551 . 57.42 2.19 6.0555e-01 15383 1 1 1 1 107 GLU CB 27.658 . 30.07 1.84 1.8990e-01 15383 1 1 1 1 107 GLU CG 32.604 . 36.01 1.51 2.4094e-02 15383 1 1 1 1 107 GLU H 11.835 M 8.34 0.61 1.0072e-08 15383 1 1 1 1 107 GLU HA 3.744 . 4.26 0.43 2.3014e-01 15383 1 1 1 1 107 GLU HB2 1.551 . 2.04 0.22 2.6234e-02 15383 1 1 1 1 107 GLU HB3 1.869 . 2.04 0.23 4.5719e-01 15383 1 1 1 1 107 GLU HG2 1.211 S 2.31 0.21 1.6648e-07 15383 1 1 1 1 107 GLU HG3 1.829 . 2.31 0.21 2.1994e-02 15383 1 1 1 1 107 GLU N 123.810 . 120.68 3.68 3.9502e-01 15383 1 1 1 1 108 HIS C 177.663 . 175.19 2.14 2.4784e-01 15383 1 1 1 1 108 HIS CA 60.564 . 56.37 2.4 8.0551e-02 15383 1 1 1 1 108 HIS CB 30.946 . 29.95 2.15 6.4318e-01 15383 1 1 1 1 108 HIS CD2 112.066 M 119.84 3.3 1.8485e-02 15383 1 1 1 1 108 HIS CE1 135.894 . 136.05 3.58 9.6524e-01 15383 1 1 1 1 108 HIS H 6.963 . 8.25 0.74 8.2002e-02 15383 1 1 1 1 108 HIS HA 4.233 . 4.62 0.51 4.4796e-01 15383 1 1 1 1 108 HIS HB2 3.889 . 3.12 0.43 7.3716e-02 15383 1 1 1 1 108 HIS HB3 3.281 . 3.11 0.45 7.0395e-01 15383 1 1 1 1 108 HIS HD2 6.557 . 7.08 0.5 2.9556e-01 15383 1 1 1 1 108 HIS HE1 7.661 . 8.08 0.57 4.6229e-01 15383 1 1 1 1 108 HIS N 120.900 . 119.44 4.52 7.4669e-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 15383 1 1 1 1 34 HIS HIS 0.99 15383 1 1 1 1 107 GLU LYS 0.35 15383 1 1 1 1 107 GLU ARG 0.3 15383 1 1 1 1 107 GLU GLN 0.24 15383 1 1 1 1 107 GLU MET 0.03 15383 1 1 1 1 107 GLU GLU 0.03 15383 1 1 1 1 107 GLU PRO 0.01 15383 1 1 1 1 107 GLU ILE 0.01 15383 1 1 1 1 108 HIS HIS 0.99 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15383 _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 15383 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 15383 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15383 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15383 _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_