data_AVS_bmrb_pdb_report_4737 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4737 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 4737 1 1 1 1 62 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 4737 1 1 1 1 66 MET Anomalous Consistent Consistent Consistent Consistent Anomalous . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 4737 1 1 1 1 62 LEU CA 57.3010 . 55.65 2.21 4.5503e-01 4737 1 1 1 1 62 LEU CB 41.1870 . 42.37 1.86 5.2476e-01 4737 1 1 1 1 62 LEU CG 27.7060 . 26.77 1.25 4.5398e-01 4737 1 1 1 1 62 LEU CD1 25.8020 . 24.73 1.71 5.3072e-01 4737 1 1 1 1 62 LEU CD2 20.6230 . 24.1 1.78 5.0776e-02 4737 1 1 1 1 62 LEU H 8.3450 . 8.22 0.65 8.4750e-01 4737 1 1 1 1 62 LEU HA 3.8030 . 4.32 0.47 2.7133e-01 4737 1 1 1 1 62 LEU HB2 1.3600 . 1.63 0.34 4.2713e-01 4737 1 1 1 1 62 LEU HB3 1.9970 . 1.57 0.36 2.3558e-01 4737 1 1 1 1 62 LEU HG 1.2100 . 1.54 0.33 3.1731e-01 4737 1 1 1 1 62 LEU HD1 2.3640 M 0.77 0.27 3.5543e-09 4737 1 1 1 1 62 LEU HD2 1.0000 . 0.76 0.28 3.9137e-01 4737 1 1 1 1 62 LEU N 117.9300 . 121.98 4.07 3.1969e-01 4737 1 1 1 1 66 MET CA 55.7510 . 56.16 2.34 8.6125e-01 4737 1 1 1 1 66 MET CB 33.8820 . 32.9 2.23 6.5968e-01 4737 1 1 1 1 66 MET CG 30.5680 . 32.07 1.45 3.0027e-01 4737 1 1 1 1 66 MET CE 16.9920 . 17.21 3.42 9.4918e-01 4737 1 1 1 1 66 MET H 7.2490 . 8.26 0.6 9.1989e-02 4737 1 1 1 1 66 MET HA 4.6150 . 4.39 0.46 6.2475e-01 4737 1 1 1 1 66 MET HB2 2.0280 . 2.03 0.38 9.9580e-01 4737 1 1 1 1 66 MET HB3 2.0280 . 2.01 0.36 9.6012e-01 4737 1 1 1 1 66 MET HG2 2.5750 . 2.44 0.36 7.0766e-01 4737 1 1 1 1 66 MET HG3 2.8380 . 2.41 0.4 2.8462e-01 4737 1 1 1 1 66 MET HE 2.1140 . 1.86 0.47 5.8890e-01 4737 1 1 1 1 66 MET N 107.8150 M 120.1 3.88 1.5442e-03 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 4737 1 1 1 1 62 LEU CYS 0.52 4737 1 1 1 1 62 LEU LEU 0.27 4737 1 1 1 1 62 LEU ARG 0.12 4737 1 1 1 1 62 LEU ALA 0.07 4737 1 1 1 1 66 MET CYS 0.43 4737 1 1 1 1 66 MET MET 0.42 4737 1 1 1 1 66 MET ALA 0.13 4737 1 1 1 1 66 MET ILE 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4737 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 4737 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 4737 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 4737 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4737 _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_