data_AVS_bmrb_pdb_report_18277 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18277 _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 63 LYS Anomalous Consistent Suspicious Anomalous Consistent Consistent "HE2 > HB3" 0.9957 18277 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 63 LYS C 174.598 . 176.64 2 3.0725e-01 18277 1 1 1 1 63 LYS CA 54.508 . 56.95 2.2 2.6700e-01 18277 1 1 1 1 63 LYS CB 35.703 . 32.79 1.78 1.0173e-01 18277 1 1 1 1 63 LYS CG 24.563 . 24.89 1.13 7.7229e-01 18277 1 1 1 1 63 LYS CD 29.689 . 28.96 1.08 4.9968e-01 18277 1 1 1 1 63 LYS CE 41.433 . 41.89 0.82 5.7731e-01 18277 1 1 1 1 63 LYS H 9.011 . 8.19 0.6 1.7121e-01 18277 1 1 1 1 63 LYS HA 5.694 . 4.27 0.44 1.2106e-03 18277 1 1 1 1 63 LYS HB2 1.173 . 1.78 0.25 1.5182e-02 18277 1 1 1 1 63 LYS HB3 1.505 . 1.74 0.27 3.8410e-01 18277 1 1 1 1 63 LYS HG2 0.535 . 1.37 0.26 1.3203e-03 18277 1 1 1 1 63 LYS HG3 0.616 . 1.35 0.28 8.7562e-03 18277 1 1 1 1 63 LYS HD2 0.262 S 1.61 0.22 8.9398e-10 18277 1 1 1 1 63 LYS HD3 0.713 S 1.6 0.22 5.5347e-05 18277 1 1 1 1 63 LYS HE2 1.226 A 2.92 0.19 4.8435e-19 18277 1 1 1 1 63 LYS HE3 1.691 S 2.91 0.2 1.0944e-09 18277 1 1 1 1 63 LYS N 123.794 . 121.05 3.77 4.6670e-01 18277 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 63 LYS CYS 0.48 18277 1 1 1 1 63 LYS LYS 0.46 18277 1 1 1 1 63 LYS ARG 0.04 18277 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18277 _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 18277 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18277 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18277 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18277 _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_