data_AVS_bmrb_pdb_report_27989 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 27989 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 25 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 27989 1 1 1 1 58 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 27989 1 stop_ loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 25 LEU C 177.050 . 176.99 1.98 9.7583e-01 27989 1 1 1 1 25 LEU CA 51.857 . 55.62 2.13 7.7284e-02 27989 1 1 1 1 25 LEU CB 39.943 . 42.31 1.88 2.0801e-01 27989 1 1 1 1 25 LEU CG 28.624 . 26.78 1.1 9.3667e-02 27989 1 1 1 1 25 LEU CD1 25.745 . 24.72 1.59 5.1915e-01 27989 1 1 1 1 25 LEU CD2 22.360 . 24.05 1.7 3.2017e-01 27989 1 1 1 1 25 LEU H 7.219 . 8.23 0.65 1.1985e-01 27989 1 1 1 1 25 LEU HA 4.647 . 4.32 0.47 4.8659e-01 27989 1 1 1 1 25 LEU HB2 1.496 . 1.61 0.34 7.3740e-01 27989 1 1 1 1 25 LEU HB3 1.978 . 1.52 0.36 2.0329e-01 27989 1 1 1 1 25 LEU HG 0.939 . 1.51 0.33 8.3576e-02 27989 1 1 1 1 25 LEU HD11 2.378 A 0.75 0.28 6.0893e-09 27989 1 1 1 1 25 LEU HD12 2.378 A 0.75 0.28 6.0893e-09 27989 1 1 1 1 25 LEU HD13 2.378 A 0.75 0.28 6.0893e-09 27989 1 1 1 1 25 LEU HD21 0.778 . 0.73 0.29 8.6854e-01 27989 1 1 1 1 25 LEU HD22 0.778 . 0.73 0.29 8.6854e-01 27989 1 1 1 1 25 LEU HD23 0.778 . 0.73 0.29 8.6854e-01 27989 1 1 1 1 25 LEU N 118.608 . 121.86 3.9 4.0437e-01 27989 1 1 1 1 58 GLU C 175.422 . 176.87 1.95 4.5775e-01 27989 1 1 1 1 58 GLU CA 55.386 . 57.32 2.09 3.5478e-01 27989 1 1 1 1 58 GLU CB 27.024 . 30.01 1.72 8.2556e-02 27989 1 1 1 1 58 GLU CG 35.615 . 36.11 1.19 6.7743e-01 27989 1 1 1 1 58 GLU H 8.222 . 8.33 0.59 8.5476e-01 27989 1 1 1 1 58 GLU HA 3.919 . 4.25 0.41 4.1948e-01 27989 1 1 1 1 58 GLU HB2 -0.115 A 2.02 0.21 2.7930e-24 27989 1 1 1 1 58 GLU HB3 1.608 . 1.99 0.23 9.6740e-02 27989 1 1 1 1 58 GLU HG2 1.760 . 2.27 0.21 1.5158e-02 27989 1 1 1 1 58 GLU HG3 1.536 . 2.25 0.22 1.1726e-03 27989 1 1 1 1 58 GLU N 121.230 . 120.67 3.48 8.7216e-01 27989 1 stop_ loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 25 LEU ALA 0.57 27989 1 1 1 1 25 LEU LEU 0.42 27989 1 1 1 1 58 GLU GLU 0.37 27989 1 1 1 1 58 GLU GLN 0.3 27989 1 1 1 1 58 GLU LYS 0.14 27989 1 1 1 1 58 GLU ARG 0.08 27989 1 1 1 1 58 GLU ILE 0.07 27989 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 27989 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _Software.Details ; Original version modified by BMRB to export results in a BMRB STAR format. Changed status "Misassigned" to "Anomalous" ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu 27989 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 27989 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 27989 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 27989 _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_