data_AVS_bmrb_pdb_report_6092 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6092 _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 58 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 6092 1 1 1 1 86 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 6092 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 58 ARG CA 57.871 . 56.77 2.31 6.3363e-01 6092 1 1 1 1 58 ARG CB 33.019 . 30.7 1.83 2.0508e-01 6092 1 1 1 1 58 ARG CG 27.542 . 27.21 1.2 7.8204e-01 6092 1 1 1 1 58 ARG CD 43.752 . 43.16 0.88 5.0112e-01 6092 1 1 1 1 58 ARG H 7.983 . 8.24 0.61 6.7353e-01 6092 1 1 1 1 58 ARG HA 4.249 . 4.3 0.46 9.1172e-01 6092 1 1 1 1 58 ARG HB2 2.028 . 1.79 0.27 3.7806e-01 6092 1 1 1 1 58 ARG HB3 1.715 . 1.76 0.28 8.7232e-01 6092 1 1 1 1 58 ARG HG2 1.610 . 1.57 0.27 8.8223e-01 6092 1 1 1 1 58 ARG HG3 1.610 . 1.54 0.29 8.0926e-01 6092 1 1 1 1 58 ARG HD2 3.166 . 3.12 0.24 8.4800e-01 6092 1 1 1 1 58 ARG HD3 3.193 . 3.1 0.26 7.2057e-01 6092 1 1 1 1 58 ARG HE 8.718 . 7.4 0.63 3.6433e-02 6092 1 1 1 1 58 ARG N 117.582 . 120.8 3.68 3.8187e-01 6092 1 1 1 1 58 ARG NE 116.772 A 84.63 1.68 1.3635e-81 6092 1 1 1 1 86 ARG CA 58.840 . 56.77 2.31 3.7020e-01 6092 1 1 1 1 86 ARG CB 30.804 . 30.7 1.83 9.5468e-01 6092 1 1 1 1 86 ARG CG 28.135 . 27.21 1.2 4.4081e-01 6092 1 1 1 1 86 ARG CD 43.725 . 43.16 0.88 5.2084e-01 6092 1 1 1 1 86 ARG H 8.400 . 8.24 0.61 7.9309e-01 6092 1 1 1 1 86 ARG HA 4.256 . 4.3 0.46 9.2380e-01 6092 1 1 1 1 86 ARG HB2 1.893 . 1.79 0.27 7.0285e-01 6092 1 1 1 1 86 ARG HB3 1.893 . 1.76 0.28 6.3479e-01 6092 1 1 1 1 86 ARG HG2 1.891 . 1.57 0.27 2.3448e-01 6092 1 1 1 1 86 ARG HG3 1.683 . 1.54 0.29 6.2194e-01 6092 1 1 1 1 86 ARG HD2 3.159 . 3.12 0.24 8.7091e-01 6092 1 1 1 1 86 ARG HD3 3.159 . 3.1 0.26 8.2048e-01 6092 1 1 1 1 86 ARG HE 7.024 . 7.4 0.63 5.5062e-01 6092 1 1 1 1 86 ARG N 119.804 . 120.8 3.68 7.8666e-01 6092 1 1 1 1 86 ARG NE 123.939 A 84.63 1.68 0.0000e+00 6092 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 58 ARG ARG 0.64 6092 1 1 1 1 58 ARG GLY 0.22 6092 1 1 1 1 58 ARG LYS 0.12 6092 1 1 1 1 86 ARG ARG 0.69 6092 1 1 1 1 86 ARG GLY 0.2 6092 1 1 1 1 86 ARG LYS 0.09 6092 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6092 _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 6092 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 6092 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 6092 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6092 _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_