data_AVS_bmrb_pdb_report_15084 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15084 _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 15084 1 1 1 1 35 LYS Anomalous Suspicious 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 15084 1 1 1 1 35 LYS C 172.800 . 176.46 2.05 7.4202e-02 15084 1 1 1 1 35 LYS CA 52.430 . 56.84 2.25 4.9996e-02 15084 1 1 1 1 35 LYS CB 32.160 . 32.83 1.88 7.2155e-01 15084 1 1 1 1 35 LYS CG 32.100 M 24.91 1.31 4.0525e-08 15084 1 1 1 1 35 LYS CD 24.100 S 28.78 1.39 7.6016e-04 15084 1 1 1 1 35 LYS CE 41.700 . 41.78 0.98 9.3494e-01 15084 1 1 1 1 35 LYS H 8.952 . 8.22 0.64 2.5273e-01 15084 1 1 1 1 35 LYS HA 4.660 . 4.28 0.45 3.9842e-01 15084 1 1 1 1 35 LYS HB2 1.610 . 1.79 0.25 4.7153e-01 15084 1 1 1 1 35 LYS HB3 1.860 . 1.78 0.26 7.5832e-01 15084 1 1 1 1 35 LYS HG2 1.340 . 1.38 0.27 8.8223e-01 15084 1 1 1 1 35 LYS HG3 1.340 . 1.37 0.29 9.1761e-01 15084 1 1 1 1 35 LYS HD2 1.070 . 1.61 0.25 3.0773e-02 15084 1 1 1 1 35 LYS HD3 1.320 . 1.61 0.25 2.4605e-01 15084 1 1 1 1 35 LYS N 130.400 . 121.16 4.11 2.4565e-02 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 15084 1 1 1 1 35 LYS CYS 0.58 15084 1 1 1 1 35 LYS MET 0.27 15084 1 1 1 1 35 LYS ARG 0.08 15084 1 1 1 1 35 LYS ALA 0.03 15084 1 1 1 1 35 LYS GLY 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15084 _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 15084 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 15084 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15084 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15084 _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_