data_AVS_bmrb_pdb_report_16563 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16563 _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 53 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD2 > HB2" 0.9950 16563 1 1 1 1 53 ARG . . . . . . "HD2 > HB3" 0.9951 16563 1 1 1 1 53 ARG . . . . . . "HD2 > HG2" 0.9976 16563 1 1 1 1 53 ARG . . . . . . "HD2 > HG3" 0.9983 16563 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 53 ARG C 175.432 . 176.49 2.16 6.2426e-01 16563 1 1 1 1 53 ARG CA 54.310 . 56.95 2.41 2.7333e-01 16563 1 1 1 1 53 ARG CB 33.547 . 30.66 1.77 1.0287e-01 16563 1 1 1 1 53 ARG CG 24.428 . 27.31 1.65 8.0695e-02 16563 1 1 1 1 53 ARG CD 42.619 . 43.1 1.1 6.6191e-01 16563 1 1 1 1 53 ARG H 8.824 . 8.24 0.6 3.3039e-01 16563 1 1 1 1 53 ARG HA 4.609 . 4.27 0.44 4.4103e-01 16563 1 1 1 1 53 ARG HB2 1.074 . 1.79 0.28 1.0554e-02 16563 1 1 1 1 53 ARG HB3 0.762 S 1.78 0.28 2.7721e-04 16563 1 1 1 1 53 ARG HG2 0.293 S 1.58 0.27 1.8730e-06 16563 1 1 1 1 53 ARG HG3 0.224 S 1.58 0.27 5.1077e-07 16563 1 1 1 1 53 ARG HD2 0.103 A 3.13 0.23 1.4738e-39 16563 1 1 1 1 53 ARG HD3 2.127 S 3.13 0.22 5.1376e-06 16563 1 1 1 1 53 ARG HE 6.129 . 7.32 0.52 2.1999e-02 16563 1 1 1 1 53 ARG N 120.372 . 120.61 3.9 9.5134e-01 16563 1 1 1 1 53 ARG NE 84.563 . 89.8 12.83 6.8314e-01 16563 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 53 ARG LYS 0.44 16563 1 1 1 1 53 ARG CYS 0.42 16563 1 1 1 1 53 ARG ARG 0.08 16563 1 1 1 1 53 ARG GLY 0.03 16563 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16563 _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 16563 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16563 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16563 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16563 _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_