data_AVS_bmrb_pdb_report_15086 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15086 _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 15086 1 1 1 1 11 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 15086 1 1 1 1 11 LYS C 179.234 . 176.46 2.05 1.7600e-01 15086 1 1 1 1 11 LYS CA 60.013 . 56.84 2.25 1.5847e-01 15086 1 1 1 1 11 LYS CB 33.222 . 32.83 1.88 8.3483e-01 15086 1 1 1 1 11 LYS CG 24.261 . 24.91 1.31 6.2030e-01 15086 1 1 1 1 11 LYS CD 30.630 . 28.78 1.39 1.8321e-01 15086 1 1 1 1 11 LYS CE 42.979 . 41.78 0.98 2.2115e-01 15086 1 1 1 1 11 LYS H 7.575 . 8.22 0.64 3.1354e-01 15086 1 1 1 1 11 LYS HA 3.192 . 4.28 0.45 1.5616e-02 15086 1 1 1 1 11 LYS HB2 1.129 . 1.79 0.25 8.1933e-03 15086 1 1 1 1 11 LYS HB3 0.421 S 1.78 0.26 1.7235e-07 15086 1 1 1 1 11 LYS HG2 -1.447 M 1.38 0.27 1.1818e-25 15086 1 1 1 1 11 LYS HG3 0.930 . 1.37 0.29 1.2921e-01 15086 1 1 1 1 11 LYS HD2 0.864 . 1.61 0.25 2.8451e-03 15086 1 1 1 1 11 LYS HD3 0.662 S 1.61 0.25 1.4944e-04 15086 1 1 1 1 11 LYS HE2 2.588 . 2.93 0.2 8.7266e-02 15086 1 1 1 1 11 LYS HE3 2.671 . 2.93 0.2 1.9532e-01 15086 1 1 1 1 11 LYS N 118.947 . 121.16 4.11 5.9027e-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 15086 1 1 1 1 11 LYS CYS 0.47 15086 1 1 1 1 11 LYS LYS 0.22 15086 1 1 1 1 11 LYS ARG 0.18 15086 1 1 1 1 11 LYS GLY 0.06 15086 1 1 1 1 11 LYS MET 0.05 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15086 _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 15086 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 15086 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15086 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15086 _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_