data_AVS_bmrb_pdb_report_4958 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4958 _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 45 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 4958 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 45 ARG C 174.80 . 176.41 2.03 4.2772e-01 4958 1 1 1 1 45 ARG CA 54.98 . 56.77 2.31 4.3840e-01 4958 1 1 1 1 45 ARG CB 30.73 . 30.7 1.83 9.8692e-01 4958 1 1 1 1 45 ARG CG 27.52 . 27.21 1.2 7.9615e-01 4958 1 1 1 1 45 ARG CD 43.01 . 43.16 0.88 8.6465e-01 4958 1 1 1 1 45 ARG CZ 159.21 . 159.97 2.95 7.9669e-01 4958 1 1 1 1 45 ARG H 7.65 . 8.24 0.61 3.3344e-01 4958 1 1 1 1 45 ARG HA 4.16 . 4.3 0.46 7.6086e-01 4958 1 1 1 1 45 ARG HB2 1.57 . 1.79 0.27 4.1518e-01 4958 1 1 1 1 45 ARG HB3 1.78 . 1.76 0.28 9.4306e-01 4958 1 1 1 1 45 ARG HG2 1.87 . 1.57 0.27 2.6652e-01 4958 1 1 1 1 45 ARG HG3 2.28 . 1.54 0.29 1.0719e-02 4958 1 1 1 1 45 ARG HD2 2.98 . 3.12 0.24 5.5967e-01 4958 1 1 1 1 45 ARG HD3 2.98 . 3.1 0.26 6.4441e-01 4958 1 1 1 1 45 ARG HE 6.75 . 7.4 0.63 3.0219e-01 4958 1 1 1 1 45 ARG N 122.82 . 120.8 3.68 5.8307e-01 4958 1 1 1 1 45 ARG NE 127.48 A 84.63 1.68 0.0000e+00 4958 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 45 ARG ARG 0.59 4958 1 1 1 1 45 ARG CYS 0.35 4958 1 1 1 1 45 ARG GLY 0.04 4958 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4958 _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 4958 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 4958 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 4958 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4958 _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_