data_AVS_bmrb_pdb_report_6699 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6699 _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 6699 1 1 1 1 31 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6699 1 1 1 1 58 ASP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6699 1 1 1 1 65 GLU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 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 6699 1 1 1 1 31 LEU C 176.638 . 176.97 2.09 8.7379e-01 6699 1 1 1 1 31 LEU CA 56.192 . 55.65 2.21 8.0626e-01 6699 1 1 1 1 31 LEU CB 39.765 . 42.37 1.86 1.6135e-01 6699 1 1 1 1 31 LEU H 8.017 . 8.22 0.65 7.5481e-01 6699 1 1 1 1 31 LEU HA 2.140 M 4.32 0.47 3.5129e-06 6699 1 1 1 1 31 LEU N 123.987 . 121.98 4.07 6.2193e-01 6699 1 1 1 1 58 ASP C 174.996 . 176.41 1.77 4.2437e-01 6699 1 1 1 1 58 ASP CA 50.833 . 54.52 2.1 7.9137e-02 6699 1 1 1 1 58 ASP CB 37.847 . 40.7 1.67 8.7565e-02 6699 1 1 1 1 58 ASP CG 182.759 M 178.41 1.84 1.8099e-02 6699 1 1 1 1 58 ASP H 7.494 . 8.33 0.57 1.4247e-01 6699 1 1 1 1 58 ASP HA 4.621 . 4.61 0.31 9.7169e-01 6699 1 1 1 1 58 ASP N 116.689 . 120.73 4.2 3.3598e-01 6699 1 1 1 1 65 GLU C 176.392 . 176.93 2.11 7.9874e-01 6699 1 1 1 1 65 GLU CA 55.658 . 57.42 2.19 4.2107e-01 6699 1 1 1 1 65 GLU CB 26.667 . 30.07 1.84 6.4392e-02 6699 1 1 1 1 65 GLU CG 35.896 . 36.01 1.51 9.3982e-01 6699 1 1 1 1 65 GLU CD 188.007 M 181.94 1.85 1.0401e-03 6699 1 1 1 1 65 GLU H 7.869 . 8.34 0.61 4.4004e-01 6699 1 1 1 1 65 GLU HA 4.008 . 4.26 0.43 5.5784e-01 6699 1 1 1 1 65 GLU N 120.177 . 120.68 3.68 8.9128e-01 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 6699 1 1 1 1 31 LEU TYR 0.24 6699 1 1 1 1 31 LEU PHE 0.24 6699 1 1 1 1 31 LEU ASP 0.2 6699 1 1 1 1 31 LEU LEU 0.11 6699 1 1 1 1 31 LEU ASN 0.09 6699 1 1 1 1 31 LEU ILE 0.04 6699 1 1 1 1 31 LEU LYS 0.03 6699 1 1 1 1 31 LEU GLU 0.01 6699 1 1 1 1 58 ASP GLU 0.59 6699 1 1 1 1 58 ASP ASP 0.39 6699 1 1 1 1 65 GLU GLU 0.98 6699 1 1 1 1 65 GLU ALA 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6699 _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 6699 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 6699 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6699 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6699 _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_