data_AVS_bmrb_pdb_report_6375 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6375 _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 6375 1 1 1 1 8 ARG Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 6375 1 1 1 1 60 MET Anomalous Consistent Consistent Anomalous Consistent 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 6375 1 1 1 1 8 ARG C 175.242 . 176.49 2.16 5.6341e-01 6375 1 1 1 1 8 ARG CA 54.170 . 56.95 2.41 2.4869e-01 6375 1 1 1 1 8 ARG CB 30.965 . 30.66 1.77 8.6319e-01 6375 1 1 1 1 8 ARG CG 25.340 . 27.31 1.65 2.3250e-01 6375 1 1 1 1 8 ARG CD 43.388 . 43.1 1.1 7.9346e-01 6375 1 1 1 1 8 ARG HA 3.666 . 4.27 0.44 1.6984e-01 6375 1 1 1 1 8 ARG HB2 -0.422 M 1.79 0.28 2.7890e-15 6375 1 1 1 1 8 ARG HB3 1.093 . 1.78 0.28 1.4145e-02 6375 1 1 1 1 8 ARG HG2 0.418 S 1.58 0.27 1.6797e-05 6375 1 1 1 1 8 ARG HG3 0.624 S 1.58 0.27 3.9901e-04 6375 1 1 1 1 8 ARG HD2 1.548 S 3.13 0.23 6.0588e-12 6375 1 1 1 1 8 ARG HD3 2.586 . 3.13 0.22 1.3409e-02 6375 1 1 1 1 60 MET C 177.957 . 176.3 2.13 4.3661e-01 6375 1 1 1 1 60 MET CA 58.623 . 56.16 2.34 2.9254e-01 6375 1 1 1 1 60 MET CB 33.309 . 32.9 2.23 8.5448e-01 6375 1 1 1 1 60 MET CG 31.200 . 32.07 1.45 5.4851e-01 6375 1 1 1 1 60 MET CE 17.606 . 17.21 3.42 9.0782e-01 6375 1 1 1 1 60 MET H 7.661 . 8.26 0.6 3.1812e-01 6375 1 1 1 1 60 MET HA 1.981 M 4.39 0.46 1.6325e-07 6375 1 1 1 1 60 MET HB2 1.158 . 2.03 0.38 2.1748e-02 6375 1 1 1 1 60 MET HB3 1.285 . 2.01 0.36 4.4021e-02 6375 1 1 1 1 60 MET HG2 1.905 . 2.44 0.36 1.3725e-01 6375 1 1 1 1 60 MET HG3 -0.302 M 2.41 0.4 1.2018e-11 6375 1 1 1 1 60 MET HE 0.961 . 1.86 0.47 5.5778e-02 6375 1 1 1 1 60 MET N 114.673 . 120.1 3.88 1.6190e-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 6375 1 1 1 1 8 ARG ARG 0.55 6375 1 1 1 1 8 ARG LYS 0.25 6375 1 1 1 1 8 ARG GLY 0.16 6375 1 1 1 1 8 ARG LEU 0.01 6375 1 1 1 1 60 MET MET 0.92 6375 1 1 1 1 60 MET ILE 0.04 6375 1 1 1 1 60 MET ALA 0.02 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6375 _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 6375 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 6375 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6375 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6375 _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_