data_AVS_bmrb_pdb_report_4252 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4252 _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 4252 1 1 1 1 43 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 4252 1 1 1 1 110 GLU 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 4252 1 1 1 1 43 GLU CA 55.1 . 57.42 2.19 2.8944e-01 4252 1 1 1 1 43 GLU CB 27.3 . 30.07 1.84 1.3221e-01 4252 1 1 1 1 43 GLU CG 36.2 . 36.01 1.51 8.9987e-01 4252 1 1 1 1 43 GLU H 8.47 . 8.34 0.61 8.3124e-01 4252 1 1 1 1 43 GLU HA 3.36 . 4.26 0.43 3.6347e-02 4252 1 1 1 1 43 GLU HB2 1.11 S 2.04 0.22 2.3654e-05 4252 1 1 1 1 43 GLU HB3 -0.42 M 2.04 0.23 1.0667e-26 4252 1 1 1 1 43 GLU HG2 1.31 S 2.31 0.21 1.9177e-06 4252 1 1 1 1 43 GLU HG3 0.61 M 2.31 0.21 5.7152e-16 4252 1 1 1 1 43 GLU N 126.8 . 120.68 3.68 9.6304e-02 4252 1 1 1 1 110 GLU CA 56.1 . 57.42 2.19 5.4668e-01 4252 1 1 1 1 110 GLU CB 27.5 . 30.07 1.84 1.6249e-01 4252 1 1 1 1 110 GLU CG 35.6 . 36.01 1.51 7.8599e-01 4252 1 1 1 1 110 GLU H 9.29 . 8.34 0.61 1.1938e-01 4252 1 1 1 1 110 GLU HA 3.64 . 4.26 0.43 1.4934e-01 4252 1 1 1 1 110 GLU HB2 2.03 . 2.04 0.22 9.6375e-01 4252 1 1 1 1 110 GLU HB3 1.51 . 2.04 0.23 2.1203e-02 4252 1 1 1 1 110 GLU HG2 1.72 . 2.31 0.21 4.9615e-03 4252 1 1 1 1 110 GLU HG3 1.02 M 2.31 0.21 8.1050e-10 4252 1 1 1 1 110 GLU N 128.1 . 120.68 3.68 4.3768e-02 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 4252 1 1 1 1 43 GLU GLU 0.47 4252 1 1 1 1 43 GLU LYS 0.24 4252 1 1 1 1 43 GLU GLN 0.13 4252 1 1 1 1 43 GLU ILE 0.11 4252 1 1 1 1 43 GLU ARG 0.02 4252 1 1 1 1 43 GLU LEU 0.01 4252 1 1 1 1 110 GLU GLU 0.37 4252 1 1 1 1 110 GLU LYS 0.27 4252 1 1 1 1 110 GLU GLN 0.22 4252 1 1 1 1 110 GLU ILE 0.08 4252 1 1 1 1 110 GLU ARG 0.03 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4252 _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 4252 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 4252 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 4252 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4252 _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_