data_AVS_bmrb_pdb_report_17957 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17957 _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 48 MET Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17957 1 1 1 1 66 LEU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 17957 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 48 MET C 177.7900 . 176.3 2.13 4.8422e-01 17957 1 1 1 1 48 MET CA 58.9100 . 56.16 2.34 2.3991e-01 17957 1 1 1 1 48 MET CB 32.7500 . 32.9 2.23 9.4637e-01 17957 1 1 1 1 48 MET CG 30.6900 . 32.07 1.45 3.4124e-01 17957 1 1 1 1 48 MET H 7.1480 . 8.26 0.6 6.3835e-02 17957 1 1 1 1 48 MET HA 2.5680 A 4.39 0.46 7.4677e-05 17957 1 1 1 1 48 MET HB2 1.5590 . 2.03 0.38 2.1517e-01 17957 1 1 1 1 48 MET HB3 1.8260 . 2.01 0.36 6.0927e-01 17957 1 1 1 1 48 MET HG2 1.7390 . 2.44 0.36 5.1508e-02 17957 1 1 1 1 48 MET HG3 2.0970 . 2.41 0.4 4.3392e-01 17957 1 1 1 1 48 MET N 115.8000 . 120.1 3.88 2.6775e-01 17957 1 1 1 1 66 LEU C 175.1200 . 176.97 2.09 3.7607e-01 17957 1 1 1 1 66 LEU CA 51.8700 . 55.65 2.21 8.7191e-02 17957 1 1 1 1 66 LEU CB 47.5200 . 42.37 1.86 5.6260e-03 17957 1 1 1 1 66 LEU CG 27.2200 . 26.77 1.25 7.1885e-01 17957 1 1 1 1 66 LEU CD1 22.8140 . 24.73 1.71 2.6251e-01 17957 1 1 1 1 66 LEU CD2 28.6500 A 24.1 1.78 1.0583e-02 17957 1 1 1 1 66 LEU H 9.2450 . 8.22 0.65 1.1481e-01 17957 1 1 1 1 66 LEU HA 5.0970 . 4.32 0.47 9.8292e-02 17957 1 1 1 1 66 LEU HB2 1.5380 . 1.63 0.34 7.8671e-01 17957 1 1 1 1 66 LEU HB3 2.1200 . 1.57 0.36 1.2657e-01 17957 1 1 1 1 66 LEU HG 1.8880 . 1.54 0.33 2.9163e-01 17957 1 1 1 1 66 LEU HD11 0.7930 . 0.77 0.27 9.3211e-01 17957 1 1 1 1 66 LEU HD12 0.7930 . 0.77 0.27 9.3211e-01 17957 1 1 1 1 66 LEU HD13 0.7930 . 0.77 0.27 9.3211e-01 17957 1 1 1 1 66 LEU HD21 0.8710 . 0.76 0.28 6.9179e-01 17957 1 1 1 1 66 LEU HD22 0.8710 . 0.76 0.28 6.9179e-01 17957 1 1 1 1 66 LEU HD23 0.8710 . 0.76 0.28 6.9179e-01 17957 1 1 1 1 66 LEU N 127.7400 . 121.98 4.07 1.5700e-01 17957 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 48 MET MET 0.3 17957 1 1 1 1 48 MET GLN 0.27 17957 1 1 1 1 48 MET LYS 0.25 17957 1 1 1 1 48 MET GLU 0.09 17957 1 1 1 1 48 MET ARG 0.05 17957 1 1 1 1 66 LEU GLY 0.57 17957 1 1 1 1 66 LEU ALA 0.4 17957 1 1 1 1 66 LEU LEU 0.01 17957 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17957 _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 17957 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17957 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17957 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17957 _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_