data_AVS_bmrb_pdb_report_16447 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16447 _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 1 182 LEU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16447 1 1 1 1 189 PHE Anomalous Consistent Suspicious Suspicious Anomalous Consistent "C > CA" 1.0000 16447 1 1 1 1 189 PHE . . . . . . "C > CB" 1.0000 16447 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 1 182 LEU C 178.700 . 176.97 2.09 4.0781e-01 16447 1 1 1 1 182 LEU CA 54.830 . 55.65 2.21 7.1061e-01 16447 1 1 1 1 182 LEU CB 41.410 . 42.37 1.86 6.0576e-01 16447 1 1 1 1 182 LEU H 6.940 . 8.22 0.65 4.8927e-02 16447 1 1 1 1 182 LEU N 107.910 A 121.98 4.07 5.4622e-04 16447 1 1 1 1 189 PHE C 0.000 A 175.49 2.13 0.0000e+00 16447 1 1 1 1 189 PHE CA 53.100 . 58.25 2.73 5.9235e-02 16447 1 1 1 1 189 PHE CB 38.780 . 39.95 2.04 5.6629e-01 16447 1 1 1 1 189 PHE H 11.070 S 8.42 0.74 3.4218e-04 16447 1 1 1 1 189 PHE N 131.330 . 120.69 4.18 1.0914e-02 16447 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 1 182 LEU ASP 0.23 16447 1 1 1 1 182 LEU LEU 0.21 16447 1 1 1 1 182 LEU LYS 0.16 16447 1 1 1 1 182 LEU CYS 0.1 16447 1 1 1 1 182 LEU PHE 0.09 16447 1 1 1 1 182 LEU TYR 0.07 16447 1 1 1 1 182 LEU ASN 0.06 16447 1 1 1 1 182 LEU ARG 0.05 16447 1 1 1 1 189 PHE ASN 0.44 16447 1 1 1 1 189 PHE ASP 0.18 16447 1 1 1 1 189 PHE CYS 0.16 16447 1 1 1 1 189 PHE TYR 0.07 16447 1 1 1 1 189 PHE PHE 0.06 16447 1 1 1 1 189 PHE LEU 0.03 16447 1 1 1 1 189 PHE GLU 0.01 16447 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16447 _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 16447 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16447 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16447 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16447 _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_