data_AVS_bmrb_pdb_report_11141 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11141 _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 29 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HA > HD2" 0.9912 11141 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 29 ARG C 175.706 . 176.49 2.16 7.1663e-01 11141 1 1 1 1 29 ARG CA 55.693 . 56.95 2.41 6.0196e-01 11141 1 1 1 1 29 ARG CB 25.758 . 30.66 1.77 5.6144e-03 11141 1 1 1 1 29 ARG CG 24.237 . 27.31 1.65 6.2544e-02 11141 1 1 1 1 29 ARG CD 40.385 . 43.1 1.1 1.3580e-02 11141 1 1 1 1 29 ARG H 7.474 . 8.24 0.6 2.0172e-01 11141 1 1 1 1 29 ARG HA 1.455 A 4.27 0.44 1.5771e-10 11141 1 1 1 1 29 ARG HB2 0.418 S 1.79 0.28 9.5837e-07 11141 1 1 1 1 29 ARG HB3 0.507 S 1.78 0.28 5.4564e-06 11141 1 1 1 1 29 ARG HG2 0.569 S 1.58 0.27 1.8079e-04 11141 1 1 1 1 29 ARG HG3 0.569 S 1.58 0.27 1.8079e-04 11141 1 1 1 1 29 ARG HD2 2.584 . 3.13 0.23 1.7601e-02 11141 1 1 1 1 29 ARG HD3 2.584 . 3.13 0.22 1.3071e-02 11141 1 1 1 1 29 ARG N 127.834 . 120.61 3.9 6.3982e-02 11141 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 29 ARG LEU 0.53 11141 1 1 1 1 29 ARG CYS 0.37 11141 1 1 1 1 29 ARG LYS 0.07 11141 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11141 _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 11141 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11141 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11141 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11141 _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_