data_AVS_bmrb_pdb_report_17162 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17162 _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 55 PHE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17162 1 1 1 1 5 GYC6 UNSUPPORTED . . . . . . . 17162 1 1 1 1 67 ARG Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 17162 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 55 PHE CA 50.239 . 58.25 2.73 3.3416e-03 17162 1 1 1 1 55 PHE CB 39.536 . 39.95 2.04 8.3918e-01 17162 1 1 1 1 55 PHE H 5.672 A 8.42 0.74 2.0440e-04 17162 1 1 1 1 55 PHE N 110.929 . 120.69 4.18 1.9535e-02 17162 1 1 1 1 67 ARG CA 49.976 . 56.95 2.41 3.8064e-03 17162 1 1 1 1 67 ARG CB 23.549 A 30.66 1.77 5.8815e-05 17162 1 1 1 1 67 ARG H 7.041 . 8.24 0.6 4.5681e-02 17162 1 1 1 1 67 ARG N 132.741 . 120.61 3.9 1.8676e-03 17162 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 55 PHE ASN 0.5 17162 1 1 1 1 55 PHE ASP 0.21 17162 1 1 1 1 55 PHE CYS 0.17 17162 1 1 1 1 55 PHE LEU 0.03 17162 1 1 1 1 55 PHE PHE 0.02 17162 1 1 1 1 55 PHE TYR 0.02 17162 1 1 1 1 67 ARG LEU 0.36 17162 1 1 1 1 67 ARG CYS 0.27 17162 1 1 1 1 67 ARG ALA 0.13 17162 1 1 1 1 67 ARG PRO 0.09 17162 1 1 1 1 67 ARG LYS 0.05 17162 1 1 1 1 67 ARG MET 0.05 17162 1 1 1 1 67 ARG GLY 0.01 17162 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17162 _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 17162 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17162 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17162 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17162 _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_