data_AVS_bmrb_pdb_report_16448 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16448 _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 1 GLY Anomalous Consistent Consistent Indeterminable Consistent Anomalous . . 16448 1 1 1 1 14 TYR Anomalous Consistent Consistent Indeterminable Anomalous Consistent . . 16448 1 1 1 1 39 LEU Anomalous Consistent Consistent Indeterminable Anomalous Consistent . . 16448 1 1 1 1 71 PHE Anomalous Consistent Consistent Indeterminable Anomalous Consistent . . 16448 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 1 GLY C 170.696 . 174.04 1.94 8.4760e-02 16448 1 1 1 1 1 GLY CA 44.255 . 45.33 1.42 4.4902e-01 16448 1 1 1 1 1 GLY N 32.213 A 109.91 4.29 2.6007e-73 16448 1 1 1 1 14 TYR CA 58.027 . 58.02 2.64 9.9788e-01 16448 1 1 1 1 14 TYR CG 131.312 A 129.29 1.21 9.4707e-02 16448 1 1 1 1 14 TYR N 129.139 . 120.79 4.69 7.5048e-02 16448 1 1 1 1 39 LEU C 176.186 . 176.97 2.09 7.0757e-01 16448 1 1 1 1 39 LEU CA 56.405 . 55.65 2.21 7.3263e-01 16448 1 1 1 1 39 LEU CB 44.533 . 42.37 1.86 2.4487e-01 16448 1 1 1 1 39 LEU CG 25.249 . 26.77 1.25 2.2368e-01 16448 1 1 1 1 39 LEU CD1 30.414 A 24.73 1.71 8.8744e-04 16448 1 1 1 1 39 LEU CD2 28.715 A 24.1 1.78 9.5227e-03 16448 1 1 1 1 39 LEU N 112.311 . 121.98 4.07 1.7517e-02 16448 1 1 1 1 71 PHE CA 55.620 . 58.25 2.73 3.3536e-01 16448 1 1 1 1 71 PHE CB 41.248 . 39.95 2.04 5.2460e-01 16448 1 1 1 1 71 PHE CG 140.676 A 138.35 1.12 3.7821e-02 16448 1 1 1 1 71 PHE N 123.852 . 120.69 4.18 4.4937e-01 16448 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 1 GLY GLY 0.38 16448 1 1 1 1 1 GLY LEU 0.26 16448 1 1 1 1 1 GLY ARG 0.25 16448 1 1 1 1 1 GLY PHE 0.02 16448 1 1 1 1 1 GLY ASP 0.02 16448 1 1 1 1 1 GLY TYR 0.01 16448 1 1 1 1 14 TYR PHE 0.47 16448 1 1 1 1 14 TYR HIS 0.36 16448 1 1 1 1 14 TYR TYR 0.11 16448 1 1 1 1 14 TYR TRP 0.04 16448 1 1 1 1 39 LEU ARG 0.48 16448 1 1 1 1 39 LEU GLY 0.42 16448 1 1 1 1 39 LEU LYS 0.06 16448 1 1 1 1 39 LEU MET 0.02 16448 1 1 1 1 71 PHE PHE 0.96 16448 1 1 1 1 71 PHE GLY 0.03 16448 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16448 _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 16448 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16448 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16448 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16448 _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_