data_AVS_bmrb_pdb_report_10039 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10039 _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 10039 1 1 1 1 84 LYS 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 10039 1 1 1 1 84 LYS C 174.626 . 176.46 2.05 3.7098e-01 10039 1 1 1 1 84 LYS CA 55.313 . 56.84 2.25 4.9735e-01 10039 1 1 1 1 84 LYS CB 36.431 . 32.83 1.88 5.5438e-02 10039 1 1 1 1 84 LYS CG 24.592 . 24.91 1.31 8.0820e-01 10039 1 1 1 1 84 LYS CD 29.285 . 28.78 1.39 7.1637e-01 10039 1 1 1 1 84 LYS CE 41.209 . 41.78 0.98 5.6013e-01 10039 1 1 1 1 84 LYS H 8.762 . 8.22 0.64 3.9707e-01 10039 1 1 1 1 84 LYS HA 5.011 . 4.28 0.45 1.0428e-01 10039 1 1 1 1 84 LYS HB2 1.244 . 1.79 0.25 2.8962e-02 10039 1 1 1 1 84 LYS HB3 1.244 . 1.78 0.26 3.9252e-02 10039 1 1 1 1 84 LYS HG2 1.057 . 1.38 0.27 2.3158e-01 10039 1 1 1 1 84 LYS HG3 0.983 . 1.37 0.29 1.8205e-01 10039 1 1 1 1 84 LYS HD2 0.776 S 1.61 0.25 8.4993e-04 10039 1 1 1 1 84 LYS HD3 0.988 . 1.61 0.25 1.2846e-02 10039 1 1 1 1 84 LYS HE2 1.760 S 2.93 0.2 4.9157e-09 10039 1 1 1 1 84 LYS HE3 1.436 M 2.93 0.2 8.0195e-14 10039 1 1 1 1 84 LYS N 117.381 . 121.16 4.11 3.5785e-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 10039 1 1 1 1 84 LYS LYS 0.71 10039 1 1 1 1 84 LYS ARG 0.23 10039 1 1 1 1 84 LYS MET 0.04 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10039 _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 10039 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 10039 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 10039 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10039 _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_