data_AVS_bmrb_pdb_report_11053 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11053 _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 97 MET Anomalous Consistent Consistent Consistent Consistent Anomalous . . 11053 1 1 1 1 130 GLU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 11053 1 1 1 2 11 UNSUPPORTED . . . . . . . 11053 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 97 MET CA 53.357 . 56.16 2.34 2.3097e-01 11053 1 1 1 1 97 MET CB 31.317 . 32.9 2.23 4.7779e-01 11053 1 1 1 1 97 MET CG 31.367 . 32.07 1.45 6.2780e-01 11053 1 1 1 1 97 MET CE 20.517 . 17.21 3.42 3.3356e-01 11053 1 1 1 1 97 MET H 9.776 . 8.26 0.6 1.1515e-02 11053 1 1 1 1 97 MET HA 5.686 . 4.39 0.46 4.8415e-03 11053 1 1 1 1 97 MET HB2 1.526 . 2.03 0.38 1.8473e-01 11053 1 1 1 1 97 MET HB3 1.526 . 2.01 0.36 1.7880e-01 11053 1 1 1 1 97 MET HG2 1.946 . 2.44 0.36 1.6999e-01 11053 1 1 1 1 97 MET HG3 1.946 . 2.41 0.4 2.4605e-01 11053 1 1 1 1 97 MET HE1 1.066 . 1.86 0.47 9.1150e-02 11053 1 1 1 1 97 MET HE2 1.066 . 1.86 0.47 9.1150e-02 11053 1 1 1 1 97 MET HE3 1.066 . 1.86 0.47 9.1150e-02 11053 1 1 1 1 97 MET N 135.656 A 120.1 3.88 6.0905e-05 11053 1 1 1 1 130 GLU CA 55.967 . 57.42 2.19 5.0703e-01 11053 1 1 1 1 130 GLU CB 30.283 . 30.07 1.84 9.0784e-01 11053 1 1 1 1 130 GLU CG 36.967 . 36.01 1.51 5.2623e-01 11053 1 1 1 1 130 GLU H 7.186 . 8.34 0.61 5.8517e-02 11053 1 1 1 1 130 GLU HA 3.976 . 4.26 0.43 5.0896e-01 11053 1 1 1 1 130 GLU HB2 2.066 . 2.04 0.22 9.0592e-01 11053 1 1 1 1 130 GLU HB3 2.176 . 2.04 0.23 5.5432e-01 11053 1 1 1 1 130 GLU HG2 2.206 . 2.31 0.21 6.2043e-01 11053 1 1 1 1 130 GLU HG3 2.046 . 2.31 0.21 2.0870e-01 11053 1 1 1 1 130 GLU N 108.936 A 120.68 3.68 1.4163e-03 11053 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 97 MET ALA 0.4 11053 1 1 1 1 97 MET MET 0.32 11053 1 1 1 1 97 MET CYS 0.26 11053 1 1 1 1 130 GLU CYS 0.39 11053 1 1 1 1 130 GLU GLU 0.39 11053 1 1 1 1 130 GLU MET 0.08 11053 1 1 1 1 130 GLU ILE 0.05 11053 1 1 1 1 130 GLU LYS 0.04 11053 1 1 1 1 130 GLU GLN 0.01 11053 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11053 _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 11053 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11053 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11053 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11053 _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_