data_AVS_bmrb_pdb_report_25837 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25837 _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 14 ARG Anomalous Consistent Suspicious Anomalous Consistent Anomalous "HD3 > HB2" 0.9950 25837 1 1 1 1 14 ARG . . . . . . "HD3 > HB3" 0.9958 25837 1 1 1 1 14 ARG . . . . . . "HD3 > HG2" 0.9974 25837 1 1 1 1 14 ARG . . . . . . "HD3 > HG3" 0.9982 25837 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 14 ARG C 172.626 . 176.41 2.03 6.2316e-02 25837 1 1 1 1 14 ARG CA 54.412 . 56.77 2.31 3.0736e-01 25837 1 1 1 1 14 ARG CB 32.405 . 30.7 1.83 3.5149e-01 25837 1 1 1 1 14 ARG CG 25.026 . 27.21 1.2 6.8759e-02 25837 1 1 1 1 14 ARG CD 42.240 . 43.16 0.88 2.9581e-01 25837 1 1 1 1 14 ARG H 9.334 . 8.24 0.61 7.2902e-02 25837 1 1 1 1 14 ARG HA 4.677 . 4.3 0.46 4.1246e-01 25837 1 1 1 1 14 ARG HB2 1.524 . 1.79 0.27 3.2453e-01 25837 1 1 1 1 14 ARG HB3 1.257 . 1.76 0.28 7.2427e-02 25837 1 1 1 1 14 ARG HG2 0.909 . 1.57 0.27 1.4359e-02 25837 1 1 1 1 14 ARG HG3 0.909 . 1.54 0.29 2.9566e-02 25837 1 1 1 1 14 ARG HD2 1.985 S 3.12 0.24 2.2544e-06 25837 1 1 1 1 14 ARG HD3 0.575 A 3.1 0.26 2.6924e-22 25837 1 1 1 1 14 ARG N 124.198 . 120.8 3.68 3.5581e-01 25837 1 1 1 1 14 ARG NE 116.591 A 84.63 1.68 1.0710e-80 25837 1 1 1 1 14 ARG NH1 6.450 A 73.82 4.62 3.6430e-48 25837 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 14 ARG LYS 0.8 25837 1 1 1 1 14 ARG ARG 0.17 25837 1 1 1 1 14 ARG GLY 0.02 25837 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25837 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _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 25837 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25837 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25837 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25837 _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_