data_AVS_bmrb_pdb_report_27183 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 27183 _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 76 ASP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 27183 1 1 1 1 221 ALA Anomalous Consistent Consistent Anomalous Consistent Consistent . . 27183 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 76 ASP C 174.803 . 176.4 1.75 3.6147e-01 27183 1 1 1 1 76 ASP CA 52.701 . 54.69 2.03 3.2718e-01 27183 1 1 1 1 76 ASP CB 42.355 . 40.88 1.62 3.6256e-01 27183 1 1 1 1 76 ASP H 25.876 A 8.31 0.58 0.0000e+00 27183 1 1 1 1 76 ASP N 127.000 . 120.65 3.86 9.9954e-02 27183 1 1 1 1 221 ALA C 179.700 . 177.74 2.13 3.5747e-01 27183 1 1 1 1 221 ALA CA 55.124 . 53.14 1.98 3.1633e-01 27183 1 1 1 1 221 ALA CB 19.379 . 19.01 1.83 8.4020e-01 27183 1 1 1 1 221 ALA H 11.698 A 8.2 0.6 5.5427e-09 27183 1 1 1 1 221 ALA N 120.319 . 123.23 3.54 4.1090e-01 27183 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 76 ASP ASP 0.3 27183 1 1 1 1 76 ASP LEU 0.29 27183 1 1 1 1 76 ASP ARG 0.1 27183 1 1 1 1 76 ASP LYS 0.09 27183 1 1 1 1 76 ASP ASN 0.06 27183 1 1 1 1 76 ASP CYS 0.04 27183 1 1 1 1 76 ASP PHE 0.04 27183 1 1 1 1 76 ASP TYR 0.02 27183 1 1 1 1 76 ASP GLY 0.01 27183 1 1 1 1 221 ALA ALA 0.57 27183 1 1 1 1 221 ALA MET 0.3 27183 1 1 1 1 221 ALA CYS 0.05 27183 1 1 1 1 221 ALA LEU 0.02 27183 1 1 1 1 221 ALA ILE 0.02 27183 1 1 1 1 221 ALA VAL 0.01 27183 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 27183 _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 27183 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 27183 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 27183 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 27183 _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_