data_AVS_bmrb_pdb_report_15689 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15689 _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 3 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15689 1 1 1 1 11 ILE Anomalous Consistent Consistent Anomalous Suspicious Consistent . . 15689 1 1 1 1 75 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15689 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 3 LEU CA 55.200 . 55.65 2.21 8.3865e-01 15689 1 1 1 1 3 LEU CB 42.100 . 42.37 1.86 8.8458e-01 15689 1 1 1 1 3 LEU H 8.250 . 8.22 0.65 9.6319e-01 15689 1 1 1 1 3 LEU HA 4.280 . 4.32 0.47 9.3218e-01 15689 1 1 1 1 3 LEU HB2 3.760 A 1.63 0.34 3.7353e-10 15689 1 1 1 1 3 LEU HB3 1.500 . 1.57 0.36 8.4583e-01 15689 1 1 1 1 3 LEU HG 1.500 . 1.54 0.33 9.0352e-01 15689 1 1 1 1 3 LEU N 124.100 . 121.98 4.07 6.0245e-01 15689 1 1 1 1 11 ILE CA 59.400 . 61.59 2.78 4.3083e-01 15689 1 1 1 1 11 ILE CB 41.800 . 38.58 2.09 1.2340e-01 15689 1 1 1 1 11 ILE CG1 17.817 S 27.65 2.32 2.2516e-05 15689 1 1 1 1 11 ILE CG2 17.817 . 17.36 1.6 7.7517e-01 15689 1 1 1 1 11 ILE CD1 14.132 . 13.41 1.91 7.0542e-01 15689 1 1 1 1 11 ILE H 8.270 . 8.26 0.71 9.8876e-01 15689 1 1 1 1 11 ILE HA 4.100 . 4.2 0.56 8.5827e-01 15689 1 1 1 1 11 ILE HB 1.720 . 1.8 0.31 7.9636e-01 15689 1 1 1 1 11 ILE HG12 1.669 . 1.3 0.4 3.5627e-01 15689 1 1 1 1 11 ILE HG13 0.535 . 1.24 0.4 7.7985e-02 15689 1 1 1 1 11 ILE HG21 0.504 . 0.8 0.29 3.0740e-01 15689 1 1 1 1 11 ILE HG22 0.504 . 0.8 0.29 3.0740e-01 15689 1 1 1 1 11 ILE HG23 0.504 . 0.8 0.29 3.0740e-01 15689 1 1 1 1 11 ILE HD11 4.104 A 0.7 0.3 7.7044e-30 15689 1 1 1 1 11 ILE HD12 4.104 A 0.7 0.3 7.7044e-30 15689 1 1 1 1 11 ILE HD13 4.104 A 0.7 0.3 7.7044e-30 15689 1 1 1 1 11 ILE N 114.600 . 121.6 4.72 1.3806e-01 15689 1 1 1 1 75 LEU CA 53.800 . 55.65 2.21 4.0253e-01 15689 1 1 1 1 75 LEU CB 44.400 . 42.37 1.86 2.7510e-01 15689 1 1 1 1 75 LEU CG 29.635 . 26.77 1.25 2.1906e-02 15689 1 1 1 1 75 LEU CD1 24.908 . 24.73 1.71 9.1710e-01 15689 1 1 1 1 75 LEU CD2 25.255 . 24.1 1.78 5.1642e-01 15689 1 1 1 1 75 LEU H 9.350 . 8.22 0.65 8.2130e-02 15689 1 1 1 1 75 LEU HA 4.990 . 4.32 0.47 1.5400e-01 15689 1 1 1 1 75 LEU HB2 3.960 A 1.63 0.34 7.2347e-12 15689 1 1 1 1 75 LEU HB3 1.530 . 1.57 0.36 9.1153e-01 15689 1 1 1 1 75 LEU HG 1.671 . 1.54 0.33 6.9139e-01 15689 1 1 1 1 75 LEU HD11 0.597 . 0.77 0.27 5.2169e-01 15689 1 1 1 1 75 LEU HD12 0.597 . 0.77 0.27 5.2169e-01 15689 1 1 1 1 75 LEU HD13 0.597 . 0.77 0.27 5.2169e-01 15689 1 1 1 1 75 LEU HD21 0.559 . 0.76 0.28 4.7285e-01 15689 1 1 1 1 75 LEU HD22 0.559 . 0.76 0.28 4.7285e-01 15689 1 1 1 1 75 LEU HD23 0.559 . 0.76 0.28 4.7285e-01 15689 1 1 1 1 75 LEU N 128.000 . 121.98 4.07 1.3911e-01 15689 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 3 LEU LEU 0.27 15689 1 1 1 1 3 LEU LYS 0.2 15689 1 1 1 1 3 LEU ASP 0.18 15689 1 1 1 1 3 LEU ARG 0.14 15689 1 1 1 1 3 LEU PHE 0.08 15689 1 1 1 1 3 LEU TYR 0.06 15689 1 1 1 1 3 LEU ASN 0.02 15689 1 1 1 1 11 ILE GLY 0.58 15689 1 1 1 1 11 ILE ALA 0.38 15689 1 1 1 1 11 ILE ILE 0.03 15689 1 1 1 1 75 LEU GLY 0.51 15689 1 1 1 1 75 LEU ARG 0.29 15689 1 1 1 1 75 LEU LEU 0.18 15689 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15689 _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 15689 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15689 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15689 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15689 _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_