data_AVS_bmrb_pdb_report_4188 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4188 _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 61 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 4188 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 61 ARG C 176.86 . 176.41 2.03 8.2457e-01 4188 1 1 1 1 61 ARG CA 56.59 . 56.77 2.31 9.3789e-01 4188 1 1 1 1 61 ARG CB 30.16 . 30.7 1.83 7.6793e-01 4188 1 1 1 1 61 ARG CG 26.21 . 27.21 1.2 4.0466e-01 4188 1 1 1 1 61 ARG CD 43.59 . 43.16 0.88 6.2510e-01 4188 1 1 1 1 61 ARG H 9.88 . 8.24 0.61 7.1769e-03 4188 1 1 1 1 61 ARG HA 4.55 . 4.3 0.46 5.8680e-01 4188 1 1 1 1 61 ARG HB2 1.99 . 1.79 0.27 4.5885e-01 4188 1 1 1 1 61 ARG HB3 1.89 . 1.76 0.28 6.4244e-01 4188 1 1 1 1 61 ARG HG2 2.05 . 1.57 0.27 7.5440e-02 4188 1 1 1 1 61 ARG HG3 1.33 . 1.54 0.29 4.6898e-01 4188 1 1 1 1 61 ARG HD2 3.23 . 3.12 0.24 6.4671e-01 4188 1 1 1 1 61 ARG HD3 3.11 . 3.1 0.26 9.6932e-01 4188 1 1 1 1 61 ARG N 176.86 A 120.8 3.68 2.1130e-52 4188 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 61 ARG ARG 0.71 4188 1 1 1 1 61 ARG GLY 0.14 4188 1 1 1 1 61 ARG LYS 0.11 4188 1 1 1 1 61 ARG LEU 0.02 4188 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4188 _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 4188 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 4188 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 4188 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4188 _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_