data_AVS_bmrb_pdb_report_15164 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15164 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 15164 1 1 1 1 216 ILE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15164 1 1 1 1 417 TYR Anomalous Consistent Consistent Consistent Anomalous Consistent . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 15164 1 1 1 1 216 ILE C 167.497 M 175.82 1.95 1.9705e-05 15164 1 1 1 1 216 ILE CA 60.569 . 61.59 2.78 7.1342e-01 15164 1 1 1 1 216 ILE CB 39.947 . 38.58 2.09 5.1307e-01 15164 1 1 1 1 216 ILE H 7.817 . 8.26 0.71 5.3266e-01 15164 1 1 1 1 216 ILE N 119.929 . 121.6 4.72 7.2332e-01 15164 1 1 1 1 417 TYR C 168.598 M 175.39 1.89 3.2608e-04 15164 1 1 1 1 417 TYR CA 55.005 . 58.02 2.64 2.5344e-01 15164 1 1 1 1 417 TYR CB 41.846 . 39.16 2.23 2.2840e-01 15164 1 1 1 1 417 TYR H 9.437 . 8.37 0.75 1.5483e-01 15164 1 1 1 1 417 TYR N 124.356 . 120.79 4.69 4.4705e-01 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 15164 1 1 1 1 216 ILE ILE 0.28 15164 1 1 1 1 216 ILE PHE 0.26 15164 1 1 1 1 216 ILE TYR 0.22 15164 1 1 1 1 216 ILE CYS 0.17 15164 1 1 1 1 216 ILE LYS 0.01 15164 1 1 1 1 216 ILE LEU 0.01 15164 1 1 1 1 417 TYR LEU 0.23 15164 1 1 1 1 417 TYR ASP 0.19 15164 1 1 1 1 417 TYR LYS 0.18 15164 1 1 1 1 417 TYR CYS 0.1 15164 1 1 1 1 417 TYR ARG 0.09 15164 1 1 1 1 417 TYR PHE 0.08 15164 1 1 1 1 417 TYR TYR 0.06 15164 1 1 1 1 417 TYR ASN 0.03 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15164 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 15164 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 15164 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15164 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15164 _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_