data_AVS_bmrb_pdb_report_4761 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4761 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 4761 1 1 1 1 32 ASP Anomalous Indeterminable Consistent Anomalous Indeterminable Consistent . . 4761 1 1 1 1 122 HIS Anomalous Indeterminable Consistent Anomalous Indeterminable Consistent . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 4761 1 1 1 1 32 ASP H 5.44 M 8.33 0.57 3.9745e-07 4761 1 1 1 1 32 ASP HA 4.52 . 4.61 0.31 7.7157e-01 4761 1 1 1 1 32 ASP HB2 2.50 . 2.74 0.29 4.0791e-01 4761 1 1 1 1 32 ASP HB3 2.64 . 2.7 0.29 8.3609e-01 4761 1 1 1 1 32 ASP N 128.1 . 120.73 4.2 7.9300e-02 4761 1 1 1 1 122 HIS H 6.82 . 8.25 0.74 5.3306e-02 4761 1 1 1 1 122 HIS HA 2.61 S 4.62 0.51 8.1083e-05 4761 1 1 1 1 122 HIS HB2 1.57 S 3.12 0.43 3.1257e-04 4761 1 1 1 1 122 HIS HB3 1.43 S 3.11 0.45 1.8896e-04 4761 1 1 1 1 122 HIS HD1 9.42 . 10.14 3.5 8.3701e-01 4761 1 1 1 1 122 HIS HD2 0.02 M 7.08 0.5 2.8599e-45 4761 1 1 1 1 122 HIS HE1 0.96 M 8.08 0.57 8.3357e-36 4761 1 1 1 1 122 HIS N 118.9 . 119.44 4.52 9.0490e-01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4761 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 4761 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 4761 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 4761 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4761 _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_