data_AVS_bmrb_pdb_report_17026 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17026 _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 48 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD2 > HB2" 0.9950 17026 1 1 1 1 48 ARG . . . . . . "HD3 > HB2" 0.9950 17026 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 48 ARG C 177.074 . 176.49 2.16 7.8688e-01 17026 1 1 1 1 48 ARG CA 56.365 . 56.95 2.41 8.0821e-01 17026 1 1 1 1 48 ARG CB 28.493 . 30.66 1.77 2.2084e-01 17026 1 1 1 1 48 ARG CG 24.340 . 27.31 1.65 7.1861e-02 17026 1 1 1 1 48 ARG CD 40.466 . 43.1 1.1 1.6641e-02 17026 1 1 1 1 48 ARG H 8.058 . 8.24 0.6 7.6164e-01 17026 1 1 1 1 48 ARG HA 2.984 . 4.27 0.44 3.4698e-03 17026 1 1 1 1 48 ARG HB2 1.600 . 1.79 0.28 4.9741e-01 17026 1 1 1 1 48 ARG HB3 1.000 . 1.78 0.28 5.3410e-03 17026 1 1 1 1 48 ARG HG2 0.888 . 1.58 0.27 1.0378e-02 17026 1 1 1 1 48 ARG HG3 0.888 . 1.58 0.27 1.0378e-02 17026 1 1 1 1 48 ARG HD2 1.172 A 3.13 0.23 1.6943e-17 17026 1 1 1 1 48 ARG HD3 1.543 S 3.13 0.22 5.4477e-13 17026 1 1 1 1 48 ARG HE 8.160 . 7.32 0.52 1.0623e-01 17026 1 1 1 1 48 ARG N 123.343 . 120.61 3.9 4.8345e-01 17026 1 1 1 1 48 ARG NE 85.858 . 89.8 12.83 7.5865e-01 17026 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 48 ARG LYS 0.55 17026 1 1 1 1 48 ARG LEU 0.41 17026 1 1 1 1 48 ARG ARG 0.02 17026 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17026 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 1.4 _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 17026 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17026 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17026 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17026 _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_