data_AVS_bmrb_pdb_report_6743 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6743 _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 6743 1 1 1 1 10 ASP Anomalous Consistent Consistent Duplicate Anomalous Duplicate . . 6743 1 1 1 1 54 GLU Anomalous Consistent Consistent Anomalous Duplicate 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 6743 1 1 1 1 10 ASP C 176.22 D 176.41 1.77 9.1452e-01 6743 1 1 1 1 10 ASP CA 62.33 M 54.52 2.1 1.9998e-04 6743 1 1 1 1 10 ASP CB 40.76 D 40.7 1.67 9.7134e-01 6743 1 1 1 1 10 ASP H 8.16 D 8.33 0.57 7.6552e-01 6743 1 1 1 1 10 ASP HA 4.37 D 4.61 0.31 4.3882e-01 6743 1 1 1 1 10 ASP HB2 2.76 D 2.74 0.29 9.4502e-01 6743 1 1 1 1 10 ASP HB3 2.87 D 2.7 0.29 5.5774e-01 6743 1 1 1 1 10 ASP N 115.55 D 120.73 4.2 2.1745e-01 6743 1 1 1 1 54 GLU C 177.03 D 176.93 2.11 9.6220e-01 6743 1 1 1 1 54 GLU CA 57.27 D 57.42 2.19 9.4539e-01 6743 1 1 1 1 54 GLU CB 30.13 D 30.07 1.84 9.7399e-01 6743 1 1 1 1 54 GLU H 8.06 . 8.34 0.61 6.4622e-01 6743 1 1 1 1 54 GLU HA 4.58 . 4.26 0.43 4.5676e-01 6743 1 1 1 1 54 GLU HB2 3.44 M 2.04 0.22 1.9703e-10 6743 1 1 1 1 54 GLU HB3 3.44 M 2.04 0.23 1.1508e-09 6743 1 1 1 1 54 GLU HG2 3.06 S 2.31 0.21 3.5504e-04 6743 1 1 1 1 54 GLU HG3 3.06 S 2.31 0.21 3.5504e-04 6743 1 1 1 1 54 GLU N 120.51 . 120.68 3.68 9.6315e-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 6743 1 1 1 1 10 ASP ILE 0.5 6743 1 1 1 1 10 ASP PHE 0.27 6743 1 1 1 1 10 ASP TYR 0.18 6743 1 1 1 1 10 ASP LYS 0.02 6743 1 1 1 1 54 GLU GLU 0.19 6743 1 1 1 1 54 GLU TRP 0.19 6743 1 1 1 1 54 GLU ARG 0.18 6743 1 1 1 1 54 GLU GLN 0.16 6743 1 1 1 1 54 GLU LYS 0.12 6743 1 1 1 1 54 GLU MET 0.08 6743 1 1 1 1 54 GLU ILE 0.03 6743 1 1 1 1 54 GLU VAL 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6743 _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 6743 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 6743 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6743 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6743 _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_