data_AVS_bmrb_pdb_report_5155 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5155 _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 5155 1 1 1 1 8 ILE Anomalous Consistent Consistent Anomalous Consistent 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 5155 1 1 1 1 8 ILE CA 58.182 . 61.59 2.78 2.2024e-01 5155 1 1 1 1 8 ILE CB 37.781 . 38.58 2.09 7.0224e-01 5155 1 1 1 1 8 ILE H 8.420 . 8.26 0.71 8.2171e-01 5155 1 1 1 1 8 ILE HA 4.257 . 4.2 0.56 9.1893e-01 5155 1 1 1 1 8 ILE HB 1.855 . 1.8 0.31 8.5918e-01 5155 1 1 1 1 8 ILE HG2 0.599 . 0.8 0.29 4.8824e-01 5155 1 1 1 1 8 ILE HG12 2.096 . 1.3 0.4 4.6591e-02 5155 1 1 1 1 8 ILE HG13 2.990 M 1.24 0.4 1.2143e-05 5155 1 1 1 1 8 ILE HD1 0.385 . 0.7 0.3 2.9372e-01 5155 1 1 1 1 8 ILE N 125.945 . 121.6 4.72 3.5729e-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 5155 1 1 1 1 8 ILE PHE 0.33 5155 1 1 1 1 8 ILE GLU 0.27 5155 1 1 1 1 8 ILE ILE 0.25 5155 1 1 1 1 8 ILE MET 0.03 5155 1 1 1 1 8 ILE ASP 0.02 5155 1 1 1 1 8 ILE ASN 0.02 5155 1 1 1 1 8 ILE LYS 0.01 5155 1 1 1 1 8 ILE LEU 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5155 _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 5155 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 5155 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5155 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5155 _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_