data_AVS_bmrb_pdb_report_10315 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10315 _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 11 LYS Anomalous Consistent Suspicious Anomalous Consistent Consistent "HE3 > HB3" 0.9974 10315 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 11 LYS C 172.184 . 176.46 2.05 3.6992e-02 10315 1 1 1 1 11 LYS CA 56.437 . 56.84 2.25 8.5785e-01 10315 1 1 1 1 11 LYS CB 35.270 . 32.83 1.88 1.9433e-01 10315 1 1 1 1 11 LYS CG 24.858 . 24.91 1.31 9.6834e-01 10315 1 1 1 1 11 LYS CD 28.871 . 28.78 1.39 9.4780e-01 10315 1 1 1 1 11 LYS CE 40.656 . 41.78 0.98 2.5141e-01 10315 1 1 1 1 11 LYS H 7.377 . 8.22 0.64 1.8778e-01 10315 1 1 1 1 11 LYS HA 4.057 . 4.28 0.45 6.2021e-01 10315 1 1 1 1 11 LYS HB2 0.749 S 1.79 0.25 3.1272e-05 10315 1 1 1 1 11 LYS HB3 1.458 . 1.78 0.26 2.1554e-01 10315 1 1 1 1 11 LYS HG2 0.598 . 1.38 0.27 3.7760e-03 10315 1 1 1 1 11 LYS HG3 -0.183 S 1.37 0.29 8.5475e-08 10315 1 1 1 1 11 LYS HD2 -0.080 A 1.61 0.25 1.3799e-11 10315 1 1 1 1 11 LYS HD3 0.897 . 1.61 0.25 4.3445e-03 10315 1 1 1 1 11 LYS HE2 1.879 S 2.93 0.2 1.4802e-07 10315 1 1 1 1 11 LYS HE3 1.072 A 2.93 0.2 1.5429e-20 10315 1 1 1 1 11 LYS N 115.602 . 121.16 4.11 1.7628e-01 10315 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 11 LYS CYS 0.53 10315 1 1 1 1 11 LYS LYS 0.39 10315 1 1 1 1 11 LYS ARG 0.04 10315 1 1 1 1 11 LYS MET 0.01 10315 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10315 _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 10315 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 10315 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 10315 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10315 _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_