data_AVS_bmrb_pdb_report_10269 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10269 _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 31 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 10269 1 1 1 1 58 LYS Anomalous Consistent Suspicious Anomalous Consistent Consistent "HE3 > HB2" 0.9970 10269 1 1 1 1 58 LYS . . . . . . "HE3 > HB3" 0.9974 10269 1 1 1 1 58 LYS . . . . . . "HE3 > HD2" 0.9989 10269 1 1 1 1 58 LYS . . . . . . "HE3 > HD3" 0.9989 10269 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 31 LEU C 173.742 . 176.97 2.09 1.2247e-01 10269 1 1 1 1 31 LEU CA 53.120 . 55.65 2.21 2.5229e-01 10269 1 1 1 1 31 LEU CB 39.479 . 42.37 1.86 1.2011e-01 10269 1 1 1 1 31 LEU CG 26.143 . 26.77 1.25 6.1595e-01 10269 1 1 1 1 31 LEU CD1 25.433 . 24.73 1.71 6.8099e-01 10269 1 1 1 1 31 LEU CD2 19.751 . 24.1 1.78 1.4555e-02 10269 1 1 1 1 31 LEU H 7.804 . 8.22 0.65 5.2217e-01 10269 1 1 1 1 31 LEU HA 3.561 . 4.32 0.47 1.0633e-01 10269 1 1 1 1 31 LEU HB2 0.657 . 1.63 0.34 4.2129e-03 10269 1 1 1 1 31 LEU HB3 -1.658 A 1.57 0.36 3.0562e-19 10269 1 1 1 1 31 LEU HG 0.519 . 1.54 0.33 1.9752e-03 10269 1 1 1 1 31 LEU HD11 0.341 . 0.77 0.27 1.1209e-01 10269 1 1 1 1 31 LEU HD12 0.341 . 0.77 0.27 1.1209e-01 10269 1 1 1 1 31 LEU HD13 0.341 . 0.77 0.27 1.1209e-01 10269 1 1 1 1 31 LEU HD21 -0.623 S 0.76 0.28 7.8409e-07 10269 1 1 1 1 31 LEU HD22 -0.623 S 0.76 0.28 7.8409e-07 10269 1 1 1 1 31 LEU HD23 -0.623 S 0.76 0.28 7.8409e-07 10269 1 1 1 1 31 LEU N 125.982 . 121.98 4.07 3.2546e-01 10269 1 1 1 1 58 LYS C 177.565 . 176.46 2.05 5.8987e-01 10269 1 1 1 1 58 LYS CA 60.851 . 56.84 2.25 7.4641e-02 10269 1 1 1 1 58 LYS CB 33.102 . 32.83 1.88 8.8496e-01 10269 1 1 1 1 58 LYS CG 25.272 . 24.91 1.31 7.8229e-01 10269 1 1 1 1 58 LYS CD 30.793 . 28.78 1.39 1.4756e-01 10269 1 1 1 1 58 LYS CE 40.403 . 41.78 0.98 1.5999e-01 10269 1 1 1 1 58 LYS H 8.834 . 8.22 0.64 3.3737e-01 10269 1 1 1 1 58 LYS HA 3.515 . 4.28 0.45 8.9131e-02 10269 1 1 1 1 58 LYS HB2 1.860 . 1.79 0.25 7.7948e-01 10269 1 1 1 1 58 LYS HB3 1.801 . 1.78 0.26 9.3563e-01 10269 1 1 1 1 58 LYS HG2 1.023 . 1.38 0.27 1.8609e-01 10269 1 1 1 1 58 LYS HG3 0.244 S 1.37 0.29 1.0328e-04 10269 1 1 1 1 58 LYS HD2 1.357 . 1.61 0.25 3.1154e-01 10269 1 1 1 1 58 LYS HD3 1.220 . 1.61 0.25 1.1876e-01 10269 1 1 1 1 58 LYS HE2 2.010 S 2.93 0.2 4.2249e-06 10269 1 1 1 1 58 LYS HE3 1.184 A 2.93 0.2 2.5467e-18 10269 1 1 1 1 58 LYS N 123.283 . 121.16 4.11 6.0547e-01 10269 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 31 LEU ALA 0.92 10269 1 1 1 1 31 LEU LEU 0.07 10269 1 1 1 1 58 LYS LYS 0.72 10269 1 1 1 1 58 LYS ARG 0.14 10269 1 1 1 1 58 LYS MET 0.12 10269 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10269 _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 10269 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 10269 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 10269 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10269 _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_