data_AVS_bmrb_pdb_report_17208 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17208 _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 1 159 ARG Anomalous Consistent Consistent Consistent Anomalous Consistent . . 17208 1 1 1 1 285 TYR Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17208 1 1 1 2 1 ADP UNSUPPORTED . . . . . . . 17208 1 1 1 3 1 MG UNSUPPORTED . . . . . . . 17208 1 1 1 4 1 PO4 UNSUPPORTED . . . . . . . 17208 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 1 159 ARG C 181.558 A 176.49 2.16 1.8961e-02 17208 1 1 1 1 159 ARG CA 59.633 . 56.95 2.41 2.6559e-01 17208 1 1 1 1 159 ARG CB 29.459 . 30.66 1.77 4.9744e-01 17208 1 1 1 1 159 ARG H 8.128 . 8.24 0.6 8.5192e-01 17208 1 1 1 1 159 ARG N 124.63 . 120.61 3.9 3.0265e-01 17208 1 1 1 1 285 TYR C 176.846 . 175.39 1.89 4.4108e-01 17208 1 1 1 1 285 TYR CA 59.068 . 58.02 2.64 6.9139e-01 17208 1 1 1 1 285 TYR CB 34.659 . 39.16 2.23 4.3551e-02 17208 1 1 1 1 285 TYR H 12.009 A 8.37 0.75 1.2222e-06 17208 1 1 1 1 285 TYR N 126.98 . 120.79 4.69 1.8689e-01 17208 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 1 159 ARG TRP 0.16 17208 1 1 1 1 159 ARG CYS 0.14 17208 1 1 1 1 159 ARG ILE 0.13 17208 1 1 1 1 159 ARG GLU 0.12 17208 1 1 1 1 159 ARG ARG 0.09 17208 1 1 1 1 159 ARG LYS 0.09 17208 1 1 1 1 159 ARG HIS 0.08 17208 1 1 1 1 159 ARG GLN 0.08 17208 1 1 1 1 159 ARG VAL 0.03 17208 1 1 1 1 159 ARG MET 0.02 17208 1 1 1 1 285 TYR CYS 0.27 17208 1 1 1 1 285 TYR GLU 0.15 17208 1 1 1 1 285 TYR LYS 0.11 17208 1 1 1 1 285 TYR GLN 0.11 17208 1 1 1 1 285 TYR MET 0.1 17208 1 1 1 1 285 TYR VAL 0.09 17208 1 1 1 1 285 TYR TYR 0.03 17208 1 1 1 1 285 TYR ILE 0.03 17208 1 1 1 1 285 TYR TRP 0.03 17208 1 1 1 1 285 TYR ARG 0.01 17208 1 1 1 1 285 TYR HIS 0.01 17208 1 1 1 1 285 TYR PHE 0.01 17208 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17208 _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 17208 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17208 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17208 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17208 _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_