data_AVS_bmrb_pdb_report_11212 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11212 _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 Consistent Anomalous Consistent . . 11212 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 168.983 A 176.46 2.05 2.6499e-04 11212 1 1 1 1 39 LYS CA 53.600 . 56.84 2.25 1.4987e-01 11212 1 1 1 1 39 LYS CB 32.713 . 32.83 1.88 9.5038e-01 11212 1 1 1 1 39 LYS CG 23.131 . 24.91 1.31 1.7446e-01 11212 1 1 1 1 39 LYS CD 29.226 . 28.78 1.39 7.4831e-01 11212 1 1 1 1 39 LYS CE 41.689 . 41.78 0.98 9.2602e-01 11212 1 1 1 1 39 LYS H 8.598 . 8.22 0.64 5.5477e-01 11212 1 1 1 1 39 LYS HA 4.644 . 4.28 0.45 4.1858e-01 11212 1 1 1 1 39 LYS HB2 1.609 . 1.79 0.25 4.6907e-01 11212 1 1 1 1 39 LYS HB3 1.518 . 1.78 0.26 3.1360e-01 11212 1 1 1 1 39 LYS HG2 1.431 . 1.38 0.27 8.5018e-01 11212 1 1 1 1 39 LYS HG3 1.222 . 1.37 0.29 6.0981e-01 11212 1 1 1 1 39 LYS HD2 1.640 . 1.61 0.25 9.0448e-01 11212 1 1 1 1 39 LYS HD3 1.640 . 1.61 0.25 9.0448e-01 11212 1 1 1 1 39 LYS HE2 2.972 . 2.93 0.2 8.3367e-01 11212 1 1 1 1 39 LYS HE3 2.894 . 2.93 0.2 8.5715e-01 11212 1 1 1 1 39 LYS N 122.847 . 121.16 4.11 6.8147e-01 11212 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 0.37 11212 1 1 1 1 39 LYS CYS 0.35 11212 1 1 1 1 39 LYS ARG 0.12 11212 1 1 1 1 39 LYS MET 0.08 11212 1 1 1 1 39 LYS ALA 0.04 11212 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11212 _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 11212 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11212 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11212 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11212 _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_