data_AVS_bmrb_pdb_report_5810 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5810 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 5810 1 1 1 1 22 TYR Anomalous Consistent Consistent Consistent Consistent Anomalous . . 5810 1 1 1 1 103 MET Anomalous Consistent Consistent Consistent Consistent Anomalous . . 5810 1 1 1 1 107 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 5810 1 1 1 1 22 TYR CA 62.527 . 58.02 2.64 8.7785e-02 5810 1 1 1 1 22 TYR CB 39.091 . 39.16 2.23 9.7532e-01 5810 1 1 1 1 22 TYR H 7.782 . 8.37 0.75 4.3304e-01 5810 1 1 1 1 22 TYR HA 4.075 . 4.63 0.56 3.2165e-01 5810 1 1 1 1 22 TYR HB2 2.711 . 2.91 0.37 5.9069e-01 5810 1 1 1 1 22 TYR HB3 3.056 . 2.91 0.37 6.9314e-01 5810 1 1 1 1 22 TYR HD1 6.557 . 6.87 0.65 6.3013e-01 5810 1 1 1 1 22 TYR HE1 6.675 . 6.64 0.58 9.5188e-01 5810 1 1 1 1 22 TYR N 143.853 M 120.79 4.69 8.7664e-07 5810 1 1 1 1 103 MET CA 56.513 . 56.16 2.34 8.8009e-01 5810 1 1 1 1 103 MET CB 37.908 . 32.9 2.23 2.4721e-02 5810 1 1 1 1 103 MET H 9.262 . 8.26 0.6 9.4919e-02 5810 1 1 1 1 103 MET HA 4.666 . 4.39 0.46 5.4851e-01 5810 1 1 1 1 103 MET HB2 2.326 . 2.03 0.38 4.3601e-01 5810 1 1 1 1 103 MET HB3 2.641 . 2.01 0.36 7.9640e-02 5810 1 1 1 1 103 MET HG2 1.975 . 2.44 0.36 1.9647e-01 5810 1 1 1 1 103 MET HG3 2.24 . 2.41 0.4 6.7084e-01 5810 1 1 1 1 103 MET N 138.547 M 120.1 3.88 1.9905e-06 5810 1 1 1 1 107 LYS CA 57.958 . 56.84 2.25 6.1927e-01 5810 1 1 1 1 107 LYS CB 33.912 . 32.83 1.88 5.6493e-01 5810 1 1 1 1 107 LYS H 7.782 . 8.22 0.64 4.9374e-01 5810 1 1 1 1 107 LYS HA 3.685 . 4.28 0.45 1.8609e-01 5810 1 1 1 1 107 LYS HB2 0.488 S 1.79 0.25 1.9089e-07 5810 1 1 1 1 107 LYS HB3 1.256 . 1.78 0.26 4.3864e-02 5810 1 1 1 1 107 LYS HG2 0.827 . 1.38 0.27 4.0546e-02 5810 1 1 1 1 107 LYS HD2 0.26 M 1.61 0.25 6.6641e-08 5810 1 1 1 1 107 LYS N 128.851 . 121.16 4.11 6.1305e-02 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 5810 1 1 1 1 22 TYR ILE 0.54 5810 1 1 1 1 22 TYR PHE 0.15 5810 1 1 1 1 22 TYR CYS 0.14 5810 1 1 1 1 22 TYR TYR 0.13 5810 1 1 1 1 103 MET CYS 0.25 5810 1 1 1 1 103 MET TYR 0.22 5810 1 1 1 1 103 MET PHE 0.15 5810 1 1 1 1 103 MET GLU 0.12 5810 1 1 1 1 103 MET ASN 0.08 5810 1 1 1 1 103 MET ILE 0.05 5810 1 1 1 1 103 MET ASP 0.04 5810 1 1 1 1 103 MET MET 0.02 5810 1 1 1 1 103 MET LEU 0.01 5810 1 1 1 1 107 LYS CYS 0.21 5810 1 1 1 1 107 LYS GLN 0.18 5810 1 1 1 1 107 LYS LYS 0.16 5810 1 1 1 1 107 LYS MET 0.14 5810 1 1 1 1 107 LYS GLU 0.08 5810 1 1 1 1 107 LYS VAL 0.05 5810 1 1 1 1 107 LYS TRP 0.05 5810 1 1 1 1 107 LYS ARG 0.03 5810 1 1 1 1 107 LYS HIS 0.03 5810 1 1 1 1 107 LYS TYR 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5810 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 5810 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 5810 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5810 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5810 _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_