data_AVS_bmrb_pdb_report_16058 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16058 _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 74 ARG Anomalous Consistent Suspicious Anomalous Suspicious Consistent "HD2 > HB2" 0.9950 16058 1 1 1 1 74 ARG . . . . . . "HD3 > HB2" 0.9950 16058 1 1 1 1 74 ARG . . . . . . "HD2 > HB3" 0.9951 16058 1 1 1 1 74 ARG . . . . . . "HD3 > HB3" 0.9958 16058 1 1 1 1 74 ARG . . . . . . "HD2 > HG2" 0.9976 16058 1 1 1 1 74 ARG . . . . . . "HD3 > HG2" 0.9974 16058 1 1 1 1 74 ARG . . . . . . "HD2 > HG3" 0.9983 16058 1 1 1 1 74 ARG . . . . . . "HD3 > HG3" 0.9982 16058 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 74 ARG C 174.870 . 176.49 2.16 4.5325e-01 16058 1 1 1 1 74 ARG CA 54.449 . 56.95 2.41 2.9938e-01 16058 1 1 1 1 74 ARG CB 33.740 . 30.66 1.77 8.1839e-02 16058 1 1 1 1 74 ARG CG 32.980 S 27.31 1.65 5.8958e-04 16058 1 1 1 1 74 ARG CD 41.803 . 43.1 1.1 2.3836e-01 16058 1 1 1 1 74 ARG H 9.052 . 8.24 0.6 1.7595e-01 16058 1 1 1 1 74 ARG HA 5.311 . 4.27 0.44 1.7986e-02 16058 1 1 1 1 74 ARG HB2 1.705 . 1.79 0.28 7.6145e-01 16058 1 1 1 1 74 ARG HB3 1.705 . 1.78 0.28 7.8881e-01 16058 1 1 1 1 74 ARG HG2 1.545 . 1.58 0.27 8.9686e-01 16058 1 1 1 1 74 ARG HG3 1.545 . 1.58 0.27 8.9686e-01 16058 1 1 1 1 74 ARG HD2 1.130 A 3.13 0.23 3.4484e-18 16058 1 1 1 1 74 ARG HD3 1.130 A 3.13 0.22 9.8214e-20 16058 1 1 1 1 74 ARG N 128.407 . 120.61 3.9 4.5583e-02 16058 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 74 ARG LYS 0.69 16058 1 1 1 1 74 ARG GLY 0.27 16058 1 1 1 1 74 ARG ARG 0.03 16058 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16058 _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 16058 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16058 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16058 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16058 _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_