data_AVS_bmrb_pdb_report_4781 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4781 _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 4781 1 1 1 1 3 LYS Anomalous Consistent Suspicious Anomalous Consistent Consistent "HA > HD2" 0.9988 4781 1 1 1 1 3 LYS . . . . . . "HA > HD3" 0.9997 4781 1 1 1 1 3 LYS . . . . . . "HE2 > HD2" 0.9981 4781 1 1 1 1 3 LYS . . . . . . "HE3 > HD2" 0.9989 4781 1 1 1 1 3 LYS . . . . . . "HE2 > HD3" 0.9989 4781 1 1 1 1 3 LYS . . . . . . "HE3 > HD3" 0.9989 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 4781 1 1 1 1 3 LYS CA 56.675 . 56.84 2.25 9.4154e-01 4781 1 1 1 1 3 LYS CB 33.182 . 32.83 1.88 8.5148e-01 4781 1 1 1 1 3 LYS CG 24.835 . 24.91 1.31 9.5434e-01 4781 1 1 1 1 3 LYS CD 29.208 . 28.78 1.39 7.5815e-01 4781 1 1 1 1 3 LYS CE 42.026 . 41.78 0.98 8.0180e-01 4781 1 1 1 1 3 LYS H 8.649 . 8.22 0.64 5.0266e-01 4781 1 1 1 1 3 LYS HA 4.349 . 4.28 0.45 8.7814e-01 4781 1 1 1 1 3 LYS HB2 1.815 . 1.79 0.25 9.2034e-01 4781 1 1 1 1 3 LYS HB3 1.815 . 1.78 0.26 8.9292e-01 4781 1 1 1 1 3 LYS HG2 1.468 . 1.38 0.27 7.4448e-01 4781 1 1 1 1 3 LYS HG3 1.468 . 1.37 0.29 7.3541e-01 4781 1 1 1 1 3 LYS HD2 4.695 M 1.61 0.25 5.5156e-35 4781 1 1 1 1 3 LYS HD3 4.695 M 1.61 0.25 5.5156e-35 4781 1 1 1 1 3 LYS HE2 3.027 . 2.93 0.2 6.2768e-01 4781 1 1 1 1 3 LYS HE3 3.027 . 2.93 0.2 6.2768e-01 4781 1 1 1 1 3 LYS N 123.627 . 121.16 4.11 5.4834e-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 4781 1 1 1 1 3 LYS LYS 0.4 4781 1 1 1 1 3 LYS CYS 0.38 4781 1 1 1 1 3 LYS ARG 0.16 4781 1 1 1 1 3 LYS MET 0.03 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4781 _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 4781 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 4781 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 4781 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4781 _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_