data_AVS_bmrb_pdb_report_6176 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6176 _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 6176 1 1 1 1 74 ARG 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 6176 1 1 1 1 74 ARG C 173.4 . 176.49 2.16 1.5256e-01 6176 1 1 1 1 74 ARG CA 51.4 . 56.95 2.41 2.1284e-02 6176 1 1 1 1 74 ARG CB 33.8 . 30.66 1.77 7.6061e-02 6176 1 1 1 1 74 ARG CG 26.6 . 27.31 1.65 6.6697e-01 6176 1 1 1 1 74 ARG CD 43.1 . 43.1 1.1 1.0000e+00 6176 1 1 1 1 74 ARG H 4.92 M 8.24 0.6 3.1420e-08 6176 1 1 1 1 74 ARG HA 3.34 . 4.27 0.44 3.4546e-02 6176 1 1 1 1 74 ARG HB2 1.40 . 1.79 0.28 1.6366e-01 6176 1 1 1 1 74 ARG HB3 0.37 S 1.78 0.28 4.7607e-07 6176 1 1 1 1 74 ARG HG2 1.16 . 1.58 0.27 1.1981e-01 6176 1 1 1 1 74 ARG HG3 0.95 . 1.58 0.27 1.9631e-02 6176 1 1 1 1 74 ARG HD2 3.32 . 3.13 0.23 4.0876e-01 6176 1 1 1 1 74 ARG HD3 2.91 . 3.13 0.22 3.1731e-01 6176 1 1 1 1 74 ARG N 121.4 . 120.61 3.9 8.3948e-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 6176 1 1 1 1 74 ARG GLY 0.49 6176 1 1 1 1 74 ARG ARG 0.3 6176 1 1 1 1 74 ARG LYS 0.2 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6176 _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 6176 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 6176 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6176 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6176 _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_