data_AVS_bmrb_pdb_report_10251 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10251 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 20 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 10251 1 stop_ loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 20 LYS C 172.818 . 176.46 2.05 7.5637e-02 10251 1 1 1 1 20 LYS CA 56.801 . 56.84 2.25 9.8617e-01 10251 1 1 1 1 20 LYS CB 36.624 . 32.83 1.88 4.3582e-02 10251 1 1 1 1 20 LYS CG 25.022 . 24.91 1.31 9.3187e-01 10251 1 1 1 1 20 LYS CD 28.592 . 28.78 1.39 8.9241e-01 10251 1 1 1 1 20 LYS CE 40.091 . 41.78 0.98 8.4804e-02 10251 1 1 1 1 20 LYS H 7.584 . 8.22 0.64 3.2034e-01 10251 1 1 1 1 20 LYS HA 4.346 . 4.28 0.45 8.8340e-01 10251 1 1 1 1 20 LYS HB2 1.355 . 1.79 0.25 8.1859e-02 10251 1 1 1 1 20 LYS HB3 1.024 . 1.78 0.26 3.6411e-03 10251 1 1 1 1 20 LYS HG2 1.105 . 1.38 0.27 3.0843e-01 10251 1 1 1 1 20 LYS HG3 0.359 S 1.37 0.29 4.8992e-04 10251 1 1 1 1 20 LYS HD2 -0.384 A 1.61 0.25 1.5115e-15 10251 1 1 1 1 20 LYS HD3 0.694 S 1.61 0.25 2.4831e-04 10251 1 1 1 1 20 LYS HE2 1.605 S 2.93 0.2 3.4725e-11 10251 1 1 1 1 20 LYS HE3 1.355 A 2.93 0.2 3.4074e-15 10251 1 1 1 1 20 LYS N 121.024 . 121.16 4.11 9.7360e-01 10251 1 stop_ loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 20 LYS LYS 0.87 10251 1 1 1 1 20 LYS ARG 0.11 10251 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10251 _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.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu 10251 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 10251 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 10251 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10251 _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_