data_AVS_bmrb_pdb_report_10106 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10106 _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 10106 1 1 1 1 34 MET Anomalous Consistent Suspicious Anomalous Consistent Consistent "HA > HB2" 0.9969 10106 1 1 1 1 34 MET . . . . . . "HA > HB3" 0.9976 10106 1 1 1 1 34 MET . . . . . . "HA > HG2" 0.9982 10106 1 1 1 1 34 MET . . . . . . "HA > HG3" 0.9991 10106 1 1 1 1 34 MET . . . . . . "HA > HE" 1.0000 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 10106 1 1 1 1 34 MET C 174.869 . 176.3 2.13 5.0169e-01 10106 1 1 1 1 34 MET CA 56.879 . 56.16 2.34 7.5864e-01 10106 1 1 1 1 34 MET CB 32.792 . 32.9 2.23 9.6137e-01 10106 1 1 1 1 34 MET CG 31.330 . 32.07 1.45 6.0981e-01 10106 1 1 1 1 34 MET CE 17.580 . 17.21 3.42 9.1385e-01 10106 1 1 1 1 34 MET H 8.117 . 8.26 0.6 8.1162e-01 10106 1 1 1 1 34 MET HA 1.127 M 4.39 0.46 1.3078e-12 10106 1 1 1 1 34 MET HB2 1.312 . 2.03 0.38 5.8829e-02 10106 1 1 1 1 34 MET HB3 1.564 . 2.01 0.36 2.1539e-01 10106 1 1 1 1 34 MET HG2 1.715 . 2.44 0.36 4.4021e-02 10106 1 1 1 1 34 MET HG3 1.924 . 2.41 0.4 2.2437e-01 10106 1 1 1 1 34 MET HE 2.127 . 1.86 0.47 5.6998e-01 10106 1 1 1 1 34 MET N 121.343 . 120.1 3.88 7.4869e-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 10106 1 1 1 1 34 MET MET 0.46 10106 1 1 1 1 34 MET CYS 0.45 10106 1 1 1 1 34 MET ALA 0.07 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10106 _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 10106 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 10106 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 10106 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10106 _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_