data_AVS_bmrb_pdb_report_16141 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16141 _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 36 LYS Anomalous Suspicious Consistent Anomalous Suspicious Consistent . . 16141 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 36 LYS C 175.07 . 176.64 2 4.3245e-01 16141 1 1 1 1 36 LYS CA 53.77 . 56.95 2.2 1.4833e-01 16141 1 1 1 1 36 LYS CB 33.78 . 32.79 1.78 5.7809e-01 16141 1 1 1 1 36 LYS CG 29.51 S 24.89 1.13 4.3418e-05 16141 1 1 1 1 36 LYS CD 23.88 S 28.96 1.08 2.5548e-06 16141 1 1 1 1 36 LYS CE 42.37 . 41.89 0.82 5.5830e-01 16141 1 1 1 1 36 LYS H 8.42 . 8.19 0.6 7.0147e-01 16141 1 1 1 1 36 LYS HA 3.35 . 4.27 0.44 3.6536e-02 16141 1 1 1 1 36 LYS HB2 0.89 S 1.78 0.25 3.7085e-04 16141 1 1 1 1 36 LYS HB3 0.71 S 1.74 0.27 1.3629e-04 16141 1 1 1 1 36 LYS HG2 1.06 . 1.37 0.26 2.3314e-01 16141 1 1 1 1 36 LYS HG3 1.01 . 1.35 0.28 2.2464e-01 16141 1 1 1 1 36 LYS HD2 -0.68 A 1.61 0.22 2.2536e-25 16141 1 1 1 1 36 LYS HD3 0.40 S 1.6 0.22 4.9098e-08 16141 1 1 1 1 36 LYS HE2 2.19 S 2.92 0.19 1.2198e-04 16141 1 1 1 1 36 LYS HE3 2.19 S 2.91 0.2 3.1822e-04 16141 1 1 1 1 36 LYS N 126.08 . 121.05 3.77 1.8213e-01 16141 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 36 LYS CYS 0.77 16141 1 1 1 1 36 LYS ARG 0.12 16141 1 1 1 1 36 LYS ALA 0.05 16141 1 1 1 1 36 LYS GLY 0.05 16141 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16141 _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 16141 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16141 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16141 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16141 _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_