data_AVS_bmrb_pdb_report_17683 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17683 _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 1 105 CYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17683 1 1 1 1 108 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17683 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 1 105 CYS C 171.919 . 174.78 1.99 1.5052e-01 17683 1 1 1 1 105 CYS CA 58.328 . 57.43 3.41 7.9229e-01 17683 1 1 1 1 105 CYS CB 28.250 . 34.15 6.77 3.8349e-01 17683 1 1 1 1 105 CYS H 11.462 A 8.42 0.66 4.0443e-06 17683 1 1 1 1 105 CYS HA 4.656 . 4.73 0.57 8.9671e-01 17683 1 1 1 1 105 CYS HB2 2.533 . 2.95 0.43 3.3216e-01 17683 1 1 1 1 105 CYS HB3 3.604 . 2.98 0.45 1.6554e-01 17683 1 1 1 1 105 CYS N 117.508 . 119.95 4.79 6.1018e-01 17683 1 1 1 1 108 ARG CA 57.415 . 56.95 2.41 8.4700e-01 17683 1 1 1 1 108 ARG CB 29.890 . 30.66 1.77 6.6354e-01 17683 1 1 1 1 108 ARG CG 26.089 . 27.31 1.65 4.5930e-01 17683 1 1 1 1 108 ARG CD 43.664 . 43.1 1.1 6.0814e-01 17683 1 1 1 1 108 ARG H 7.220 . 8.24 0.6 8.9131e-02 17683 1 1 1 1 108 ARG HA 2.642 S 4.27 0.44 2.1560e-04 17683 1 1 1 1 108 ARG HB2 -0.409 A 1.79 0.28 4.0435e-15 17683 1 1 1 1 108 ARG HB3 1.131 . 1.78 0.28 2.0457e-02 17683 1 1 1 1 108 ARG N 125.016 . 120.61 3.9 2.5858e-01 17683 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 1 105 CYS LYS 0.13 17683 1 1 1 1 105 CYS ARG 0.13 17683 1 1 1 1 105 CYS GLN 0.12 17683 1 1 1 1 105 CYS TRP 0.12 17683 1 1 1 1 105 CYS CYS 0.12 17683 1 1 1 1 105 CYS GLU 0.1 17683 1 1 1 1 105 CYS HIS 0.09 17683 1 1 1 1 105 CYS ILE 0.09 17683 1 1 1 1 105 CYS LEU 0.04 17683 1 1 1 1 105 CYS MET 0.01 17683 1 1 1 1 108 ARG ARG 0.38 17683 1 1 1 1 108 ARG CYS 0.35 17683 1 1 1 1 108 ARG LYS 0.11 17683 1 1 1 1 108 ARG GLY 0.1 17683 1 1 1 1 108 ARG LEU 0.03 17683 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17683 _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 17683 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17683 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17683 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17683 _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_