data_AVS_bmrb_pdb_report_16207 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16207 _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 7 THR Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16207 1 1 1 1 61 GLY Anomalous Consistent Suspicious Suspicious Consistent Anomalous "H > HA2" 0.9980 16207 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 7 THR CA 58.587 . 62.15 2.72 1.9022e-01 16207 1 1 1 1 7 THR CG2 19.209 . 21.44 1.39 1.0849e-01 16207 1 1 1 1 7 THR H 9.275 . 8.27 0.62 1.0502e-01 16207 1 1 1 1 7 THR HA 4.604 . 4.48 0.5 8.0413e-01 16207 1 1 1 1 7 THR HB 4.020 . 4.17 0.37 6.8518e-01 16207 1 1 1 1 7 THR HG1 8.948 A 4.4 1.92 1.7848e-02 16207 1 1 1 1 7 THR HG21 1.110 . 1.16 0.28 8.5827e-01 16207 1 1 1 1 7 THR HG22 1.110 . 1.16 0.28 8.5827e-01 16207 1 1 1 1 7 THR HG23 1.110 . 1.16 0.28 8.5827e-01 16207 1 1 1 1 7 THR N 118.925 . 115.7 5.05 5.2307e-01 16207 1 1 1 1 61 GLY CA 42.648 . 45.33 1.42 5.8928e-02 16207 1 1 1 1 61 GLY H 3.674 S 8.34 0.74 2.8744e-10 16207 1 1 1 1 61 GLY HA2 3.878 . 3.95 0.4 8.5715e-01 16207 1 1 1 1 61 GLY HA3 3.457 . 3.93 0.4 2.3701e-01 16207 1 1 1 1 61 GLY N 42.648 A 109.91 4.29 2.1125e-55 16207 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 7 THR MET 0.39 16207 1 1 1 1 7 THR ILE 0.23 16207 1 1 1 1 7 THR VAL 0.17 16207 1 1 1 1 7 THR THR 0.09 16207 1 1 1 1 7 THR CYS 0.06 16207 1 1 1 1 7 THR ALA 0.02 16207 1 1 1 1 61 GLY LEU 0.45 16207 1 1 1 1 61 GLY LYS 0.19 16207 1 1 1 1 61 GLY ASP 0.12 16207 1 1 1 1 61 GLY CYS 0.1 16207 1 1 1 1 61 GLY TYR 0.06 16207 1 1 1 1 61 GLY GLY 0.03 16207 1 1 1 1 61 GLY ILE 0.02 16207 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16207 _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 16207 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16207 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16207 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16207 _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_