data_AVS_bmrb_pdb_report_16366 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16366 _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 1 128 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16366 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 1 128 ARG C 173.4 . 176.41 2.03 1.3814e-01 16366 1 1 1 1 128 ARG CA 55.1 . 56.77 2.31 4.6971e-01 16366 1 1 1 1 128 ARG CB 32.1 . 30.7 1.83 4.4426e-01 16366 1 1 1 1 128 ARG CG 25.9 . 27.21 1.2 2.7498e-01 16366 1 1 1 1 128 ARG CD 44.4 . 43.16 0.88 1.5881e-01 16366 1 1 1 1 128 ARG H 7.69 . 8.24 0.61 3.6725e-01 16366 1 1 1 1 128 ARG HA 4.74 . 4.3 0.46 3.3881e-01 16366 1 1 1 1 128 ARG HB2 1.54 . 1.79 0.27 3.5448e-01 16366 1 1 1 1 128 ARG HB3 1.97 . 1.76 0.28 4.5325e-01 16366 1 1 1 1 128 ARG HG2 1.30 . 1.57 0.27 3.1731e-01 16366 1 1 1 1 128 ARG HG3 1.35 . 1.54 0.29 5.1236e-01 16366 1 1 1 1 128 ARG HD2 2.75 . 3.12 0.24 1.2315e-01 16366 1 1 1 1 128 ARG HD3 3.04 . 3.1 0.26 8.1749e-01 16366 1 1 1 1 128 ARG HE 9.03 . 7.4 0.63 9.6731e-03 16366 1 1 1 1 128 ARG N 127.7 . 120.8 3.68 6.0793e-02 16366 1 1 1 1 128 ARG NE 119.6 A 84.63 1.68 0.0000e+00 16366 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 1 128 ARG CYS 0.41 16366 1 1 1 1 128 ARG GLY 0.31 16366 1 1 1 1 128 ARG ARG 0.24 16366 1 1 1 1 128 ARG LYS 0.01 16366 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16366 _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 16366 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16366 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16366 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16366 _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_