data_AVS_bmrb_pdb_report_17962 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17962 _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 65 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HA > HD2" 0.9912 17962 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 65 ARG C 177.239 . 176.49 2.16 7.2877e-01 17962 1 1 1 1 65 ARG CA 58.218 . 56.95 2.41 5.9879e-01 17962 1 1 1 1 65 ARG CB 28.649 . 30.66 1.77 2.5589e-01 17962 1 1 1 1 65 ARG CG 25.766 . 27.31 1.65 3.4940e-01 17962 1 1 1 1 65 ARG CD 42.775 . 43.1 1.1 7.6765e-01 17962 1 1 1 1 65 ARG H 7.466 . 8.24 0.6 1.9705e-01 17962 1 1 1 1 65 ARG HA 2.454 S 4.27 0.44 3.6709e-05 17962 1 1 1 1 65 ARG HB2 -0.461 A 1.79 0.28 9.0364e-16 17962 1 1 1 1 65 ARG HB3 0.761 S 1.78 0.28 2.7340e-04 17962 1 1 1 1 65 ARG HG2 0.592 S 1.58 0.27 2.5295e-04 17962 1 1 1 1 65 ARG HG3 0.944 . 1.58 0.27 1.8495e-02 17962 1 1 1 1 65 ARG HD2 2.800 . 3.13 0.23 1.5135e-01 17962 1 1 1 1 65 ARG HD3 3.013 . 3.13 0.22 5.9485e-01 17962 1 1 1 1 65 ARG N 121.703 . 120.61 3.9 7.7928e-01 17962 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 65 ARG LYS 0.29 17962 1 1 1 1 65 ARG CYS 0.27 17962 1 1 1 1 65 ARG ARG 0.24 17962 1 1 1 1 65 ARG LEU 0.15 17962 1 1 1 1 65 ARG GLY 0.02 17962 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17962 _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 17962 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17962 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17962 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17962 _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_