data_AVS_bmrb_pdb_report_4666 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4666 _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 43 LYS Anomalous Consistent Consistent Unknown Consistent Anomalous . . 4666 1 1 1 2 1 SNR UNSUPPORTED . . . . . . . 4666 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 43 LYS CA 57.1460 . 56.95 2.2 9.2901e-01 4666 1 1 1 1 43 LYS CB 29.6800 . 32.79 1.78 8.0604e-02 4666 1 1 1 1 43 LYS CG 25.1550 . 24.89 1.13 8.1459e-01 4666 1 1 1 1 43 LYS CD 29.8340 . 28.96 1.08 4.1837e-01 4666 1 1 1 1 43 LYS CE 41.2410 . 41.89 0.82 4.2867e-01 4666 1 1 1 1 43 LYS H 8.8170 . 8.19 0.6 2.9602e-01 4666 1 1 1 1 43 LYS HA 3.8220 . 4.27 0.44 3.0859e-01 4666 1 1 1 1 43 LYS HB2 2.1030 . 1.78 0.25 1.9636e-01 4666 1 1 1 1 43 LYS HB3 1.9810 . 1.74 0.27 3.7208e-01 4666 1 1 1 1 43 LYS HG2 1.3000 . 1.37 0.26 7.8775e-01 4666 1 1 1 1 43 LYS HG3 1.3000 . 1.35 0.28 8.5827e-01 4666 1 1 1 1 43 LYS HD2 1.4730 . 1.61 0.22 5.3346e-01 4666 1 1 1 1 43 LYS HD3 1.5510 . 1.6 0.22 8.2375e-01 4666 1 1 1 1 43 LYS HE2 3.1760 . 2.92 0.19 1.7786e-01 4666 1 1 1 1 43 LYS HE3 3.1760 . 2.91 0.2 1.8352e-01 4666 1 1 1 1 43 LYS HZ1 8.0380 U . 0 . 4666 1 1 1 1 43 LYS HZ2 8.0380 U . 0 . 4666 1 1 1 1 43 LYS HZ3 8.0380 U . 0 . 4666 1 1 1 1 43 LYS N 110.3130 . 121.05 3.77 4.3993e-03 4666 1 1 1 1 43 LYS NZ 127.4650 A 33.81 2.81 0.0000e+00 4666 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 43 LYS LYS 0.83 4666 1 1 1 1 43 LYS ARG 0.15 4666 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4666 _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 4666 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 4666 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 4666 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4666 _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_