data_AVS_bmrb_pdb_report_7371 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 7371 _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 39 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 7371 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 39 LYS C 178.876 . 176.46 2.05 2.3858e-01 7371 1 1 1 1 39 LYS CA 59.910 . 56.84 2.25 1.7243e-01 7371 1 1 1 1 39 LYS CB 33.494 . 32.83 1.88 7.2394e-01 7371 1 1 1 1 39 LYS CG 24.636 . 24.91 1.31 8.3432e-01 7371 1 1 1 1 39 LYS CD 29.447 . 28.78 1.39 6.3133e-01 7371 1 1 1 1 39 LYS CE 41.465 . 41.78 0.98 7.4789e-01 7371 1 1 1 1 39 LYS H 7.516 . 8.22 0.64 2.7133e-01 7371 1 1 1 1 39 LYS HA 3.514 . 4.28 0.45 8.8714e-02 7371 1 1 1 1 39 LYS HB2 1.373 . 1.79 0.25 9.5316e-02 7371 1 1 1 1 39 LYS HB3 0.682 S 1.78 0.26 2.4099e-05 7371 1 1 1 1 39 LYS HG2 0.712 . 1.38 0.27 1.3358e-02 7371 1 1 1 1 39 LYS HG3 0.746 . 1.37 0.29 3.1419e-02 7371 1 1 1 1 39 LYS HD2 0.589 S 1.61 0.25 4.4267e-05 7371 1 1 1 1 39 LYS HD3 0.248 A 1.61 0.25 5.0939e-08 7371 1 1 1 1 39 LYS HE2 2.304 . 2.93 0.2 1.7481e-03 7371 1 1 1 1 39 LYS HE3 2.097 S 2.93 0.2 3.1135e-05 7371 1 1 1 1 39 LYS N 118.708 . 121.16 4.11 5.5078e-01 7371 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 39 LYS LYS 0.81 7371 1 1 1 1 39 LYS ARG 0.14 7371 1 1 1 1 39 LYS MET 0.03 7371 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 7371 _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 7371 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 7371 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 7371 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 7371 _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_