data_AVS_bmrb_pdb_report_5232 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5232 _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 62 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 5232 1 1 1 1 68 ILE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5232 1 1 1 2 1 DG UNSUPPORTED . . . . . . . 5232 1 1 1 2 2 DT UNSUPPORTED . . . . . . . 5232 1 1 1 2 3 DG UNSUPPORTED . . . . . . . 5232 1 1 1 2 4 DT UNSUPPORTED . . . . . . . 5232 1 1 1 2 5 DG UNSUPPORTED . . . . . . . 5232 1 1 1 2 6 DG UNSUPPORTED . . . . . . . 5232 1 1 1 2 7 DG UNSUPPORTED . . . . . . . 5232 1 1 1 2 8 DT UNSUPPORTED . . . . . . . 5232 1 1 1 2 9 DG UNSUPPORTED . . . . . . . 5232 1 1 1 2 10 DT UNSUPPORTED . . . . . . . 5232 1 1 1 2 11 DG UNSUPPORTED . . . . . . . 5232 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 62 LEU C 172.1 . 176.97 2.09 1.9799e-02 5232 1 1 1 1 62 LEU CA 52.6 . 55.65 2.21 1.6756e-01 5232 1 1 1 1 62 LEU CB 41.0 . 42.37 1.86 4.6139e-01 5232 1 1 1 1 62 LEU CG 26.3 . 26.77 1.25 7.0692e-01 5232 1 1 1 1 62 LEU CD1 25.0 . 24.73 1.71 8.7454e-01 5232 1 1 1 1 62 LEU CD2 21.9 . 24.1 1.78 2.1648e-01 5232 1 1 1 1 62 LEU H 4.97 A 8.22 0.65 5.7330e-07 5232 1 1 1 1 62 LEU HA 4.27 . 4.32 0.47 9.1528e-01 5232 1 1 1 1 62 LEU HB2 1.57 . 1.63 0.34 8.5992e-01 5232 1 1 1 1 62 LEU HB3 1.57 . 1.57 0.36 1.0000e+00 5232 1 1 1 1 62 LEU HG 1.78 . 1.54 0.33 4.6706e-01 5232 1 1 1 1 62 LEU HD11 0.66 . 0.77 0.27 6.8371e-01 5232 1 1 1 1 62 LEU HD12 0.66 . 0.77 0.27 6.8371e-01 5232 1 1 1 1 62 LEU HD13 0.66 . 0.77 0.27 6.8371e-01 5232 1 1 1 1 62 LEU HD21 0.62 . 0.76 0.28 6.1707e-01 5232 1 1 1 1 62 LEU HD22 0.62 . 0.76 0.28 6.1707e-01 5232 1 1 1 1 62 LEU HD23 0.62 . 0.76 0.28 6.1707e-01 5232 1 1 1 1 62 LEU N 122.4 . 121.98 4.07 9.1781e-01 5232 1 1 1 1 68 ILE C 175.5 . 175.82 1.95 8.6965e-01 5232 1 1 1 1 68 ILE CA 69.6 A 61.59 2.78 3.9604e-03 5232 1 1 1 1 68 ILE CB 35.9 . 38.58 2.09 1.9974e-01 5232 1 1 1 1 68 ILE CG1 29.7 . 27.65 2.32 3.7690e-01 5232 1 1 1 1 68 ILE CG2 18.3 . 17.36 1.6 5.5687e-01 5232 1 1 1 1 68 ILE CD1 13.5 . 13.41 1.91 9.6242e-01 5232 1 1 1 1 68 ILE H 9.09 . 8.26 0.71 2.4240e-01 5232 1 1 1 1 68 ILE HA 2.89 . 4.2 0.56 1.9321e-02 5232 1 1 1 1 68 ILE HB 2.32 . 1.8 0.31 9.3461e-02 5232 1 1 1 1 68 ILE HG12 1.34 . 1.3 0.4 9.2034e-01 5232 1 1 1 1 68 ILE HG13 0.44 . 1.24 0.4 4.5500e-02 5232 1 1 1 1 68 ILE HG21 0.83 . 0.8 0.29 9.1761e-01 5232 1 1 1 1 68 ILE HG22 0.83 . 0.8 0.29 9.1761e-01 5232 1 1 1 1 68 ILE HG23 0.83 . 0.8 0.29 9.1761e-01 5232 1 1 1 1 68 ILE HD11 0.54 . 0.7 0.3 5.9380e-01 5232 1 1 1 1 68 ILE HD12 0.54 . 0.7 0.3 5.9380e-01 5232 1 1 1 1 68 ILE HD13 0.54 . 0.7 0.3 5.9380e-01 5232 1 1 1 1 68 ILE N 118.3 . 121.6 4.72 4.8446e-01 5232 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 62 LEU LEU 0.52 5232 1 1 1 1 62 LEU ALA 0.25 5232 1 1 1 1 62 LEU CYS 0.21 5232 1 1 1 1 68 ILE ILE 0.96 5232 1 1 1 1 68 ILE CYS 0.03 5232 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5232 _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.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 5232 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 5232 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 5232 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5232 _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_