data_AVS_bmrb_pdb_report_19946 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19946 _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 24 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 19946 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 24 ARG CA 55.943 . 56.77 2.31 7.2034e-01 19946 1 1 1 1 24 ARG CB 30.135 . 30.7 1.83 7.5752e-01 19946 1 1 1 1 24 ARG CG 26.092 . 27.21 1.2 3.5151e-01 19946 1 1 1 1 24 ARG H 8.195 . 8.24 0.61 9.4119e-01 19946 1 1 1 1 24 ARG HA 4.116 . 4.3 0.46 6.8916e-01 19946 1 1 1 1 24 ARG HB2 2.212 . 1.79 0.27 1.1806e-01 19946 1 1 1 1 24 ARG HB3 2.006 . 1.76 0.28 3.7963e-01 19946 1 1 1 1 24 ARG HG2 1.892 . 1.57 0.27 2.3303e-01 19946 1 1 1 1 24 ARG HG3 1.798 . 1.54 0.29 3.7365e-01 19946 1 1 1 1 24 ARG HE 9.103 . 7.4 0.63 6.8681e-03 19946 1 1 1 1 24 ARG HH11 7.961 . 6.91 0.46 2.2326e-02 19946 1 1 1 1 24 ARG HH22 7.961 S 6.76 0.36 8.4959e-04 19946 1 1 1 1 24 ARG N 125.001 . 120.8 3.68 2.5363e-01 19946 1 1 1 1 24 ARG NE 113.457 A 84.63 1.68 5.3899e-66 19946 1 1 1 1 24 ARG NH1 76.666 . 73.82 4.62 5.3788e-01 19946 1 1 1 1 24 ARG NH2 107.986 A 73.26 3.32 1.3236e-25 19946 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 24 ARG ARG 0.39 19946 1 1 1 1 24 ARG CYS 0.36 19946 1 1 1 1 24 ARG LYS 0.23 19946 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19946 _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 19946 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19946 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19946 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19946 _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_