data_AVS_bmrb_pdb_report_4251 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4251 _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 4251 1 1 1 1 43 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 4251 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 4251 1 1 1 1 43 GLU CA 55.0 . 57.42 2.19 2.6915e-01 4251 1 1 1 1 43 GLU CB 27.4 . 30.07 1.84 1.4676e-01 4251 1 1 1 1 43 GLU CG 36.1 . 36.01 1.51 9.5247e-01 4251 1 1 1 1 43 GLU H 8.38 . 8.34 0.61 9.4772e-01 4251 1 1 1 1 43 GLU HA 3.40 . 4.26 0.43 4.5500e-02 4251 1 1 1 1 43 GLU HB2 1.06 S 2.04 0.22 8.4071e-06 4251 1 1 1 1 43 GLU HB3 -0.32 M 2.04 0.23 1.0575e-24 4251 1 1 1 1 43 GLU HG2 1.29 S 2.31 0.21 1.1909e-06 4251 1 1 1 1 43 GLU HG3 0.67 M 2.31 0.21 5.7404e-15 4251 1 1 1 1 43 GLU N 126.6 . 120.68 3.68 1.0768e-01 4251 1 1 1 1 110 GLU CA 56.1 . 57.42 2.19 5.4668e-01 4251 1 1 1 1 110 GLU CB 27.6 . 30.07 1.84 1.7947e-01 4251 1 1 1 1 110 GLU CG 35.5 . 36.01 1.51 7.3555e-01 4251 1 1 1 1 110 GLU H 9.33 . 8.34 0.61 1.0460e-01 4251 1 1 1 1 110 GLU HA 3.63 . 4.26 0.43 1.4289e-01 4251 1 1 1 1 110 GLU HB2 2.01 . 2.04 0.22 8.9153e-01 4251 1 1 1 1 110 GLU HB3 1.48 . 2.04 0.23 1.4901e-02 4251 1 1 1 1 110 GLU HG2 1.67 . 2.31 0.21 2.3066e-03 4251 1 1 1 1 110 GLU HG3 0.99 M 2.31 0.21 3.2635e-10 4251 1 1 1 1 110 GLU N 128.5 . 120.68 3.68 3.3587e-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 4251 1 1 1 1 43 GLU GLU 0.45 4251 1 1 1 1 43 GLU LYS 0.26 4251 1 1 1 1 43 GLU GLN 0.15 4251 1 1 1 1 43 GLU ILE 0.09 4251 1 1 1 1 43 GLU ARG 0.02 4251 1 1 1 1 43 GLU LEU 0.01 4251 1 1 1 1 110 GLU GLU 0.35 4251 1 1 1 1 110 GLU LYS 0.28 4251 1 1 1 1 110 GLU GLN 0.24 4251 1 1 1 1 110 GLU ILE 0.07 4251 1 1 1 1 110 GLU ARG 0.03 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4251 _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 4251 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 4251 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 4251 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4251 _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_