data_AVS_bmrb_pdb_report_27879 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 27879 _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 1 446 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 27879 1 1 1 2 1 MG UNSUPPORTED . . . . . . . 27879 1 1 1 3 1 ADP UNSUPPORTED . . . . . . . 27879 1 1 1 4 1 ALF UNSUPPORTED . . . . . . . 27879 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 1 446 ARG C 175.109 . 176.41 2.03 5.2160e-01 27879 1 1 1 1 446 ARG CA 60.932 . 56.77 2.31 7.1588e-02 27879 1 1 1 1 446 ARG CB 31.746 . 30.7 1.83 5.6760e-01 27879 1 1 1 1 446 ARG CG 27.013 . 27.21 1.2 8.6960e-01 27879 1 1 1 1 446 ARG CD 43.439 . 43.16 0.88 7.5121e-01 27879 1 1 1 1 446 ARG CZ 159.789 . 159.97 2.95 9.5108e-01 27879 1 1 1 1 446 ARG H 8.930 . 8.24 0.61 2.5799e-01 27879 1 1 1 1 446 ARG HA 3.883 . 4.3 0.46 3.6466e-01 27879 1 1 1 1 446 ARG HH11 10.110 A 6.91 0.46 3.4878e-12 27879 1 1 1 1 446 ARG N 124.857 . 120.8 3.68 2.7027e-01 27879 1 1 1 1 446 ARG NE 85.161 . 84.63 1.68 7.5195e-01 27879 1 1 1 1 446 ARG NH1 69.383 . 73.82 4.62 3.3686e-01 27879 1 1 1 1 446 ARG NH2 73.709 . 73.26 3.32 8.9242e-01 27879 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 1 446 ARG CYS 0.49 27879 1 1 1 1 446 ARG ARG 0.4 27879 1 1 1 1 446 ARG GLY 0.1 27879 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 27879 _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 27879 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 27879 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 27879 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 27879 _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_