data_AVS_bmrb_pdb_report_11258 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11258 _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 45 ILE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11258 1 1 1 1 88 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11258 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 45 ILE C 177.508 . 175.82 1.95 3.8669e-01 11258 1 1 1 1 45 ILE CA 63.792 . 61.59 2.78 4.2831e-01 11258 1 1 1 1 45 ILE CB 34.844 . 38.58 2.09 7.3847e-02 11258 1 1 1 1 45 ILE CG1 29.056 . 27.65 2.32 5.4449e-01 11258 1 1 1 1 45 ILE CG2 17.901 . 17.36 1.6 7.3527e-01 11258 1 1 1 1 45 ILE CD1 10.580 . 13.41 1.91 1.3843e-01 11258 1 1 1 1 45 ILE H 7.935 . 8.26 0.71 6.4713e-01 11258 1 1 1 1 45 ILE HA 4.157 . 4.2 0.56 9.3879e-01 11258 1 1 1 1 45 ILE HB 2.836 A 1.8 0.31 8.3196e-04 11258 1 1 1 1 45 ILE HG12 2.160 . 1.3 0.4 3.1555e-02 11258 1 1 1 1 45 ILE HG13 1.993 . 1.24 0.4 5.9768e-02 11258 1 1 1 1 45 ILE HG21 1.363 . 0.8 0.29 5.2212e-02 11258 1 1 1 1 45 ILE HG22 1.363 . 0.8 0.29 5.2212e-02 11258 1 1 1 1 45 ILE HG23 1.363 . 0.8 0.29 5.2212e-02 11258 1 1 1 1 45 ILE HD11 1.026 . 0.7 0.3 2.7718e-01 11258 1 1 1 1 45 ILE HD12 1.026 . 0.7 0.3 2.7718e-01 11258 1 1 1 1 45 ILE HD13 1.026 . 0.7 0.3 2.7718e-01 11258 1 1 1 1 45 ILE N 119.668 . 121.6 4.72 6.8230e-01 11258 1 1 1 1 88 GLU C 175.566 . 176.93 2.11 5.1799e-01 11258 1 1 1 1 88 GLU CA 58.262 . 57.42 2.19 7.0063e-01 11258 1 1 1 1 88 GLU CB 27.435 . 30.07 1.84 1.5212e-01 11258 1 1 1 1 88 GLU CG 34.491 . 36.01 1.51 3.1443e-01 11258 1 1 1 1 88 GLU H 8.166 . 8.34 0.61 7.7546e-01 11258 1 1 1 1 88 GLU HA 2.696 S 4.26 0.43 2.7561e-04 11258 1 1 1 1 88 GLU HB2 1.421 . 2.04 0.22 4.8985e-03 11258 1 1 1 1 88 GLU HB3 0.954 S 2.04 0.23 2.3384e-06 11258 1 1 1 1 88 GLU HG2 0.170 A 2.31 0.21 2.1869e-24 11258 1 1 1 1 88 GLU HG3 1.152 S 2.31 0.21 3.5020e-08 11258 1 1 1 1 88 GLU N 120.009 . 120.68 3.68 8.5532e-01 11258 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 45 ILE ILE 0.59 11258 1 1 1 1 45 ILE CYS 0.39 11258 1 1 1 1 88 GLU CYS 0.33 11258 1 1 1 1 88 GLU GLN 0.21 11258 1 1 1 1 88 GLU LYS 0.19 11258 1 1 1 1 88 GLU GLU 0.12 11258 1 1 1 1 88 GLU ARG 0.06 11258 1 1 1 1 88 GLU ILE 0.05 11258 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11258 _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 11258 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11258 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11258 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11258 _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_