data_AVS_bmrb_pdb_report_26047 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 26047 _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 21 MLY UNSUPPORTED . . . . . . . 26047 1 1 1 1 38 MLY UNSUPPORTED . . . . . . . 26047 1 1 1 1 39 MLY UNSUPPORTED . . . . . . . 26047 1 1 1 1 48 MLY UNSUPPORTED . . . . . . . 26047 1 1 1 1 51 MLY UNSUPPORTED . . . . . . . 26047 1 1 1 1 56 MLY UNSUPPORTED . . . . . . . 26047 1 1 1 1 75 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 26047 1 1 1 1 77 MLY UNSUPPORTED . . . . . . . 26047 1 1 1 1 109 MLY UNSUPPORTED . . . . . . . 26047 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 75 ARG C 175.582 . 176.41 2.03 6.8336e-01 26047 1 1 1 1 75 ARG CA 53.936 . 56.77 2.31 2.1988e-01 26047 1 1 1 1 75 ARG CB 33.739 . 30.7 1.83 9.6783e-02 26047 1 1 1 1 75 ARG CG 27.222 . 27.21 1.2 9.9202e-01 26047 1 1 1 1 75 ARG CD 44.369 . 43.16 0.88 1.6948e-01 26047 1 1 1 1 75 ARG H 8.802 . 8.24 0.61 3.5689e-01 26047 1 1 1 1 75 ARG HA 5.66 . 4.3 0.46 3.1113e-03 26047 1 1 1 1 75 ARG HB2 1.855 . 1.79 0.27 8.0976e-01 26047 1 1 1 1 75 ARG HB3 1.562 . 1.76 0.28 4.7948e-01 26047 1 1 1 1 75 ARG HG2 1.402 . 1.57 0.27 5.3380e-01 26047 1 1 1 1 75 ARG HG3 1.558 . 1.54 0.29 9.5051e-01 26047 1 1 1 1 75 ARG HD2 2.905 . 3.12 0.24 3.7034e-01 26047 1 1 1 1 75 ARG HD3 2.98 . 3.1 0.26 6.4441e-01 26047 1 1 1 1 75 ARG HE 8.962 . 7.4 0.63 1.3162e-02 26047 1 1 1 1 75 ARG N 124.586 . 120.8 3.68 3.0357e-01 26047 1 1 1 1 75 ARG NE 113.932 A 84.63 1.68 3.9829e-68 26047 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 75 ARG GLY 0.43 26047 1 1 1 1 75 ARG CYS 0.38 26047 1 1 1 1 75 ARG ARG 0.17 26047 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 26047 _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 26047 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 26047 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 26047 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 26047 _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_