data_AVS_bmrb_pdb_report_18797 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18797 _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 49 SER Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 18797 1 1 1 1 52 ALA Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 18797 1 1 1 1 56 ASP Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 18797 1 1 1 1 94 GLU Anomalous Consistent Consistent Indeterminable Consistent Anomalous . . 18797 1 1 1 1 97 THR Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 18797 1 1 1 1 101 ASP Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 18797 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 49 SER CA 58.21 . 58.72 2.07 8.0539e-01 18797 1 1 1 1 49 SER CB 64.07 . 63.8 1.48 8.5524e-01 18797 1 1 1 1 49 SER H 174.13 A 8.28 0.59 0.0000e+00 18797 1 1 1 1 52 ALA CA 52.00 . 53.14 1.98 5.6478e-01 18797 1 1 1 1 52 ALA CB 18.80 . 19.01 1.83 9.0864e-01 18797 1 1 1 1 52 ALA H 175.23 A 8.2 0.6 0.0000e+00 18797 1 1 1 1 56 ASP CA 54.10 . 54.69 2.03 7.7133e-01 18797 1 1 1 1 56 ASP CB 41.00 . 40.88 1.62 9.4095e-01 18797 1 1 1 1 56 ASP H 175.60 A 8.31 0.58 0.0000e+00 18797 1 1 1 1 94 GLU CA 57.03 . 57.32 2.09 8.8964e-01 18797 1 1 1 1 94 GLU CB 29.46 . 30.01 1.72 7.4914e-01 18797 1 1 1 1 94 GLU N 175.78 A 120.67 3.48 1.7507e-56 18797 1 1 1 1 97 THR CA 62.21 . 62.22 2.59 9.9692e-01 18797 1 1 1 1 97 THR H 174.32 A 8.24 0.62 0.0000e+00 18797 1 1 1 1 101 ASP CA 54.02 . 54.69 2.03 7.4136e-01 18797 1 1 1 1 101 ASP CB 39.70 . 40.88 1.62 4.6637e-01 18797 1 1 1 1 101 ASP H 176.04 A 8.31 0.58 0.0000e+00 18797 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 49 SER SER 0.99 18797 1 1 1 1 52 ALA ALA 0.89 18797 1 1 1 1 52 ALA MET 0.1 18797 1 1 1 1 56 ASP ASP 0.35 18797 1 1 1 1 56 ASP LEU 0.22 18797 1 1 1 1 56 ASP ASN 0.13 18797 1 1 1 1 56 ASP PHE 0.09 18797 1 1 1 1 56 ASP LYS 0.08 18797 1 1 1 1 56 ASP TYR 0.07 18797 1 1 1 1 94 GLU GLN 0.16 18797 1 1 1 1 94 GLU GLU 0.15 18797 1 1 1 1 94 GLU TRP 0.15 18797 1 1 1 1 94 GLU HIS 0.15 18797 1 1 1 1 94 GLU LYS 0.15 18797 1 1 1 1 94 GLU ARG 0.13 18797 1 1 1 1 94 GLU MET 0.04 18797 1 1 1 1 94 GLU ILE 0.02 18797 1 1 1 1 97 THR THR 0.25 18797 1 1 1 1 97 THR VAL 0.23 18797 1 1 1 1 97 THR ILE 0.21 18797 1 1 1 1 97 THR PRO 0.11 18797 1 1 1 1 97 THR SER 0.07 18797 1 1 1 1 97 THR PHE 0.02 18797 1 1 1 1 97 THR TYR 0.02 18797 1 1 1 1 97 THR TRP 0.02 18797 1 1 1 1 101 ASP ASN 0.33 18797 1 1 1 1 101 ASP ASP 0.3 18797 1 1 1 1 101 ASP LEU 0.11 18797 1 1 1 1 101 ASP PHE 0.11 18797 1 1 1 1 101 ASP TYR 0.1 18797 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18797 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _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 18797 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18797 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18797 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18797 _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_