data_AVS_bmrb_pdb_report_6086 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6086 _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 6086 1 1 1 1 3 GLU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 6086 1 1 1 1 27 ASP Anomalous Consistent Consistent Anomalous Consistent 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 6086 1 1 1 1 3 GLU C 176.12 . 176.93 2.11 7.0106e-01 6086 1 1 1 1 3 GLU CA 56.915 . 57.42 2.19 8.1763e-01 6086 1 1 1 1 3 GLU CB 30.722 . 30.07 1.84 7.2308e-01 6086 1 1 1 1 3 GLU CG 36.703 . 36.01 1.51 6.4628e-01 6086 1 1 1 1 3 GLU H 8.679 . 8.34 0.61 5.7839e-01 6086 1 1 1 1 3 GLU HA 4.465 . 4.26 0.43 6.3354e-01 6086 1 1 1 1 3 GLU HB2 2.212 . 2.04 0.22 4.3432e-01 6086 1 1 1 1 3 GLU HB3 2.084 . 2.04 0.23 8.4829e-01 6086 1 1 1 1 3 GLU HG2 2.406 . 2.31 0.21 6.4757e-01 6086 1 1 1 1 3 GLU HG3 2.406 . 2.31 0.21 6.4757e-01 6086 1 1 1 1 3 GLU N 109.259 M 120.68 3.68 1.9123e-03 6086 1 1 1 1 27 ASP C 178.016 . 176.41 1.77 3.6422e-01 6086 1 1 1 1 27 ASP CA 51.822 . 54.52 2.1 1.9888e-01 6086 1 1 1 1 27 ASP CB 40.04 . 40.7 1.67 6.9269e-01 6086 1 1 1 1 27 ASP H 8.247 . 8.33 0.57 8.8423e-01 6086 1 1 1 1 27 ASP HA 3.975 . 4.61 0.31 4.0522e-02 6086 1 1 1 1 27 ASP HB2 2.272 . 2.74 0.29 1.0657e-01 6086 1 1 1 1 27 ASP HB3 0.602 M 2.7 0.29 4.6731e-13 6086 1 1 1 1 27 ASP N 125.456 . 120.73 4.2 2.6049e-01 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.PRTL_comp_type _AVS_analysis.PRTL_probability_score 6086 1 1 1 1 3 GLU GLU 0.62 6086 1 1 1 1 3 GLU MET 0.18 6086 1 1 1 1 3 GLU ILE 0.09 6086 1 1 1 1 3 GLU LYS 0.06 6086 1 1 1 1 3 GLU GLN 0.02 6086 1 1 1 1 27 ASP ASN 0.44 6086 1 1 1 1 27 ASP ASP 0.34 6086 1 1 1 1 27 ASP LEU 0.08 6086 1 1 1 1 27 ASP PHE 0.05 6086 1 1 1 1 27 ASP TYR 0.04 6086 1 1 1 1 27 ASP LYS 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6086 _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 6086 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 6086 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6086 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6086 _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_