data_AVS_bmrb_pdb_report_11037 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11037 _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 56 GLU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 11037 1 1 1 1 61 LYS Anomalous Suspicious Suspicious Consistent Anomalous Consistent "CA > CB" 1.0000 11037 1 1 1 1 65 LEU Anomalous Suspicious Suspicious Consistent Anomalous Consistent "CA > CB" 0.9997 11037 1 1 1 1 65 LEU . . . . . . "CA > CD1" 0.9996 11037 1 1 1 1 65 LEU . . . . . . "CA > CD2" 0.9996 11037 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 56 GLU C 182.114 A 176.93 2.11 1.4015e-02 11037 1 1 1 1 56 GLU CA 58.965 . 57.42 2.19 4.8051e-01 11037 1 1 1 1 56 GLU H 8.305 . 8.34 0.61 9.5425e-01 11037 1 1 1 1 56 GLU HA 4.510 . 4.26 0.43 5.6097e-01 11037 1 1 1 1 56 GLU HB2 1.870 . 2.04 0.22 4.3968e-01 11037 1 1 1 1 56 GLU HG2 2.276 . 2.31 0.21 8.7138e-01 11037 1 1 1 1 56 GLU HG3 2.534 . 2.31 0.21 2.8612e-01 11037 1 1 1 1 56 GLU N 122.928 . 120.68 3.68 5.4129e-01 11037 1 1 1 1 61 LYS C 175.300 . 176.46 2.05 5.7149e-01 11037 1 1 1 1 61 LYS CA 22.056 A 56.84 2.25 6.5046e-54 11037 1 1 1 1 61 LYS CB 34.445 . 32.83 1.88 3.9032e-01 11037 1 1 1 1 61 LYS H 7.663 . 8.22 0.64 3.8413e-01 11037 1 1 1 1 61 LYS HA 4.552 . 4.28 0.45 5.4555e-01 11037 1 1 1 1 61 LYS N 121.259 . 121.16 4.11 9.8078e-01 11037 1 1 1 1 65 LEU C 175.334 . 176.97 2.09 4.3376e-01 11037 1 1 1 1 65 LEU CA 21.296 A 55.65 2.21 1.7257e-54 11037 1 1 1 1 65 LEU CB 42.617 . 42.37 1.86 8.9436e-01 11037 1 1 1 1 65 LEU CD1 22.936 . 24.73 1.71 2.9412e-01 11037 1 1 1 1 65 LEU CD2 25.179 . 24.1 1.78 5.4440e-01 11037 1 1 1 1 65 LEU H 8.602 . 8.22 0.65 5.5674e-01 11037 1 1 1 1 65 LEU HA 4.389 . 4.32 0.47 8.8328e-01 11037 1 1 1 1 65 LEU HB2 1.437 . 1.63 0.34 5.7027e-01 11037 1 1 1 1 65 LEU HB3 1.437 . 1.57 0.36 7.1180e-01 11037 1 1 1 1 65 LEU HD11 0.729 . 0.77 0.27 8.7930e-01 11037 1 1 1 1 65 LEU HD12 0.729 . 0.77 0.27 8.7930e-01 11037 1 1 1 1 65 LEU HD13 0.729 . 0.77 0.27 8.7930e-01 11037 1 1 1 1 65 LEU HD21 0.742 . 0.76 0.28 9.4874e-01 11037 1 1 1 1 65 LEU HD22 0.742 . 0.76 0.28 9.4874e-01 11037 1 1 1 1 65 LEU HD23 0.742 . 0.76 0.28 9.4874e-01 11037 1 1 1 1 65 LEU N 132.386 . 121.98 4.07 1.0565e-02 11037 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 56 GLU SER 0.18 11037 1 1 1 1 56 GLU TYR 0.15 11037 1 1 1 1 56 GLU CYS 0.14 11037 1 1 1 1 56 GLU GLU 0.1 11037 1 1 1 1 56 GLU LYS 0.07 11037 1 1 1 1 56 GLU GLN 0.06 11037 1 1 1 1 56 GLU HIS 0.06 11037 1 1 1 1 56 GLU VAL 0.05 11037 1 1 1 1 56 GLU THR 0.05 11037 1 1 1 1 56 GLU MET 0.05 11037 1 1 1 1 56 GLU LEU 0.02 11037 1 1 1 1 61 LYS VAL 0.67 11037 1 1 1 1 61 LYS MET 0.32 11037 1 1 1 1 65 LEU GLY 0.99 11037 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11037 _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 11037 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11037 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11037 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11037 _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_