data_AVS_bmrb_pdb_report_25986 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25986 _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 70 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 25986 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 70 LYS CA 53.547 . 56.95 2.2 1.2191e-01 25986 1 1 1 1 70 LYS CD 28.171 . 28.96 1.08 4.6505e-01 25986 1 1 1 1 70 LYS CE 40.739 . 41.89 0.82 1.6042e-01 25986 1 1 1 1 70 LYS H 8.690 . 8.19 0.6 4.0466e-01 25986 1 1 1 1 70 LYS HA 5.212 . 4.27 0.44 3.2281e-02 25986 1 1 1 1 70 LYS HB2 0.585 S 1.78 0.25 1.7530e-06 25986 1 1 1 1 70 LYS HB3 0.372 S 1.74 0.27 4.0484e-07 25986 1 1 1 1 70 LYS HD2 0.782 S 1.61 0.22 1.6746e-04 25986 1 1 1 1 70 LYS HD3 0.504 S 1.6 0.22 6.2990e-07 25986 1 1 1 1 70 LYS HE2 1.341 S 2.92 0.19 9.5279e-17 25986 1 1 1 1 70 LYS HE3 0.915 A 2.91 0.2 1.9610e-23 25986 1 1 1 1 70 LYS N 118.678 . 121.05 3.77 5.2923e-01 25986 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 70 LYS LEU 0.41 25986 1 1 1 1 70 LYS CYS 0.32 25986 1 1 1 1 70 LYS LYS 0.21 25986 1 1 1 1 70 LYS ARG 0.02 25986 1 1 1 1 70 LYS ILE 0.01 25986 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25986 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _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 25986 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25986 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25986 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25986 _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_