data_AVS_bmrb_pdb_report_10027 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10027 _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 10027 1 1 1 1 53 LYS Anomalous Consistent Suspicious Anomalous Consistent Consistent "HZ > HA" 0.9940 10027 1 1 1 1 80 LYS Anomalous Consistent Suspicious Anomalous Consistent Consistent "HZ > HA" 0.9940 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 10027 1 1 1 1 53 LYS C 178.851 . 176.46 2.05 2.4348e-01 10027 1 1 1 1 53 LYS CA 57.286 . 56.84 2.25 8.4287e-01 10027 1 1 1 1 53 LYS CB 32.42 . 32.83 1.88 8.2736e-01 10027 1 1 1 1 53 LYS CG 24.413 . 24.91 1.31 7.0440e-01 10027 1 1 1 1 53 LYS CD 27.518 . 28.78 1.39 3.6392e-01 10027 1 1 1 1 53 LYS CE 41.758 . 41.78 0.98 9.8209e-01 10027 1 1 1 1 53 LYS H 7.961 . 8.22 0.64 6.8571e-01 10027 1 1 1 1 53 LYS HA 3.783 . 4.28 0.45 2.6940e-01 10027 1 1 1 1 53 LYS HB2 0.511 S 1.79 0.25 3.1208e-07 10027 1 1 1 1 53 LYS HB3 0.43 S 1.78 0.26 2.0770e-07 10027 1 1 1 1 53 LYS HG2 0.238 S 1.38 0.27 2.3408e-05 10027 1 1 1 1 53 LYS HG3 0.04 S 1.37 0.29 4.5137e-06 10027 1 1 1 1 53 LYS HD2 1.901 . 1.61 0.25 2.4442e-01 10027 1 1 1 1 53 LYS HD3 1.772 . 1.61 0.25 5.1699e-01 10027 1 1 1 1 53 LYS HZ 2.251 M 7.52 0.36 1.6525e-48 10027 1 1 1 1 53 LYS N 114.884 . 121.16 4.11 1.2676e-01 10027 1 1 1 1 80 LYS C 174.237 . 176.46 2.05 2.7819e-01 10027 1 1 1 1 80 LYS CA 54.011 . 56.84 2.25 2.0863e-01 10027 1 1 1 1 80 LYS CB 32.539 . 32.83 1.88 8.7699e-01 10027 1 1 1 1 80 LYS CG 23.781 . 24.91 1.31 3.8878e-01 10027 1 1 1 1 80 LYS CD 28.904 . 28.78 1.39 9.2892e-01 10027 1 1 1 1 80 LYS CE 42.334 . 41.78 0.98 5.7187e-01 10027 1 1 1 1 80 LYS H 8.156 . 8.22 0.64 9.2034e-01 10027 1 1 1 1 80 LYS HA 3.857 . 4.28 0.45 3.4722e-01 10027 1 1 1 1 80 LYS HB2 1.385 . 1.79 0.25 1.0523e-01 10027 1 1 1 1 80 LYS HB3 1.47 . 1.78 0.26 2.3314e-01 10027 1 1 1 1 80 LYS HG2 1.1 . 1.38 0.27 2.9972e-01 10027 1 1 1 1 80 LYS HG3 1.1 . 1.37 0.29 3.5184e-01 10027 1 1 1 1 80 LYS HD2 1.488 . 1.61 0.25 6.2555e-01 10027 1 1 1 1 80 LYS HD3 1.488 . 1.61 0.25 6.2555e-01 10027 1 1 1 1 80 LYS HZ 2.812 M 7.52 0.36 4.4115e-39 10027 1 1 1 1 80 LYS N 124.275 . 121.16 4.11 4.4851e-01 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 10027 1 1 1 1 53 LYS CYS 0.36 10027 1 1 1 1 53 LYS LYS 0.36 10027 1 1 1 1 53 LYS ARG 0.24 10027 1 1 1 1 53 LYS MET 0.01 10027 1 1 1 1 80 LYS LYS 0.39 10027 1 1 1 1 80 LYS CYS 0.3 10027 1 1 1 1 80 LYS ARG 0.21 10027 1 1 1 1 80 LYS MET 0.05 10027 1 1 1 1 80 LYS GLY 0.01 10027 1 1 1 1 80 LYS ALA 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10027 _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 10027 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 10027 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 10027 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10027 _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_