data_AVS_bmrb_pdb_report_11388 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11388 _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 86 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HA > HD2" 0.9912 11388 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 86 ARG C 178.103 . 176.49 2.16 4.5521e-01 11388 1 1 1 1 86 ARG CA 59.086 . 56.95 2.41 3.7545e-01 11388 1 1 1 1 86 ARG CB 28.388 . 30.66 1.77 1.9928e-01 11388 1 1 1 1 86 ARG CG 26.987 . 27.31 1.65 8.4480e-01 11388 1 1 1 1 86 ARG CD 43.992 . 43.1 1.1 4.1742e-01 11388 1 1 1 1 86 ARG H 7.810 . 8.24 0.6 4.7358e-01 11388 1 1 1 1 86 ARG HA 2.204 S 4.27 0.44 2.6601e-06 11388 1 1 1 1 86 ARG HB2 1.222 . 1.79 0.28 4.2502e-02 11388 1 1 1 1 86 ARG HB3 -0.178 A 1.78 0.28 2.6934e-12 11388 1 1 1 1 86 ARG HG2 0.960 . 1.58 0.27 2.1659e-02 11388 1 1 1 1 86 ARG HD2 2.764 . 3.13 0.23 1.1154e-01 11388 1 1 1 1 86 ARG HD3 2.846 . 3.13 0.22 1.9673e-01 11388 1 1 1 1 86 ARG N 122.183 . 120.61 3.9 6.8670e-01 11388 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 86 ARG CYS 0.35 11388 1 1 1 1 86 ARG ARG 0.31 11388 1 1 1 1 86 ARG GLY 0.2 11388 1 1 1 1 86 ARG LEU 0.09 11388 1 1 1 1 86 ARG LYS 0.04 11388 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11388 _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 11388 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11388 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11388 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11388 _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_