data_AVS_bmrb_pdb_report_11194 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11194 _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 39 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11194 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 39 ARG C 174.679 . 176.49 2.16 4.0179e-01 11194 1 1 1 1 39 ARG CA 55.126 . 56.95 2.41 4.4914e-01 11194 1 1 1 1 39 ARG CB 31.751 . 30.66 1.77 5.3764e-01 11194 1 1 1 1 39 ARG CG 25.759 . 27.31 1.65 3.4722e-01 11194 1 1 1 1 39 ARG CD 43.031 . 43.1 1.1 9.4998e-01 11194 1 1 1 1 39 ARG H 8.866 . 8.24 0.6 2.9679e-01 11194 1 1 1 1 39 ARG HA 4.601 . 4.27 0.44 4.5189e-01 11194 1 1 1 1 39 ARG HB2 1.393 . 1.79 0.28 1.5623e-01 11194 1 1 1 1 39 ARG HB3 1.237 . 1.78 0.28 5.2467e-02 11194 1 1 1 1 39 ARG HG2 -0.854 A 1.58 0.27 1.9720e-19 11194 1 1 1 1 39 ARG HG3 0.780 . 1.58 0.27 3.0469e-03 11194 1 1 1 1 39 ARG HD2 2.381 . 3.13 0.23 1.1279e-03 11194 1 1 1 1 39 ARG HD3 2.681 . 3.13 0.22 4.1260e-02 11194 1 1 1 1 39 ARG N 123.384 . 120.61 3.9 4.7691e-01 11194 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 39 ARG ARG 0.35 11194 1 1 1 1 39 ARG CYS 0.34 11194 1 1 1 1 39 ARG LYS 0.25 11194 1 1 1 1 39 ARG GLY 0.04 11194 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11194 _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 11194 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11194 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11194 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11194 _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_