data_AVS_bmrb_pdb_report_18652 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18652 _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 4 TYR Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 18652 1 1 1 1 48 ARG Anomalous Consistent Consistent Consistent Anomalous Consistent . . 18652 1 1 1 1 95 ARG Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 18652 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 4 TYR C 174.98 . 175.4 1.99 8.3284e-01 18652 1 1 1 1 4 TYR CA 39.13 A 58.13 2.51 3.7403e-14 18652 1 1 1 1 4 TYR H 7.99 . 8.32 0.73 6.5123e-01 18652 1 1 1 1 4 TYR HA 5.07 . 4.63 0.56 4.3204e-01 18652 1 1 1 1 4 TYR N 119.13 . 120.52 4.2 7.4068e-01 18652 1 1 1 1 48 ARG C 107.79 A 176.41 2.03 0.0000e+00 18652 1 1 1 1 48 ARG CA 53.59 . 56.77 2.31 1.6863e-01 18652 1 1 1 1 48 ARG H 8.91 . 8.24 0.61 2.7205e-01 18652 1 1 1 1 48 ARG N 123.04 . 120.8 3.68 5.4273e-01 18652 1 1 1 1 95 ARG C 173.14 . 176.41 2.03 1.0722e-01 18652 1 1 1 1 95 ARG CA 28.04 A 56.77 2.31 1.6410e-35 18652 1 1 1 1 95 ARG H 8.55 . 8.24 0.61 6.1132e-01 18652 1 1 1 1 95 ARG HA 4.28 . 4.3 0.46 9.6532e-01 18652 1 1 1 1 95 ARG N 120.46 . 120.8 3.68 9.2639e-01 18652 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 4 TYR ILE 0.35 18652 1 1 1 1 4 TYR ASN 0.35 18652 1 1 1 1 4 TYR ASP 0.12 18652 1 1 1 1 4 TYR CYS 0.11 18652 1 1 1 1 4 TYR LEU 0.04 18652 1 1 1 1 48 ARG ASN 0.23 18652 1 1 1 1 48 ARG ALA 0.2 18652 1 1 1 1 48 ARG ASP 0.14 18652 1 1 1 1 48 ARG LEU 0.08 18652 1 1 1 1 48 ARG MET 0.06 18652 1 1 1 1 48 ARG HIS 0.05 18652 1 1 1 1 48 ARG ARG 0.04 18652 1 1 1 1 48 ARG GLN 0.04 18652 1 1 1 1 48 ARG CYS 0.03 18652 1 1 1 1 48 ARG LYS 0.03 18652 1 1 1 1 48 ARG TRP 0.02 18652 1 1 1 1 48 ARG GLU 0.01 18652 1 1 1 1 48 ARG TYR 0.01 18652 1 1 1 1 95 ARG ILE 0.22 18652 1 1 1 1 95 ARG GLN 0.13 18652 1 1 1 1 95 ARG CYS 0.12 18652 1 1 1 1 95 ARG PRO 0.11 18652 1 1 1 1 95 ARG LYS 0.1 18652 1 1 1 1 95 ARG TRP 0.08 18652 1 1 1 1 95 ARG HIS 0.07 18652 1 1 1 1 95 ARG GLU 0.06 18652 1 1 1 1 95 ARG LEU 0.06 18652 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18652 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _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 18652 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18652 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18652 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18652 _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_