data_AVS_bmrb_pdb_report_18404 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18404 _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 31 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 18404 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 31 LYS C 174.78 . 176.64 2 3.5237e-01 18404 1 1 1 1 31 LYS CA 54.82 . 56.95 2.2 3.3295e-01 18404 1 1 1 1 31 LYS CB 30.40 . 32.79 1.78 1.7937e-01 18404 1 1 1 1 31 LYS CG 24.72 . 24.89 1.13 8.8042e-01 18404 1 1 1 1 31 LYS CD 29.00 . 28.96 1.08 9.7046e-01 18404 1 1 1 1 31 LYS CE 41.40 . 41.89 0.82 5.5013e-01 18404 1 1 1 1 31 LYS H 8.23 . 8.19 0.6 9.4685e-01 18404 1 1 1 1 31 LYS HA 3.81 . 4.27 0.44 2.9581e-01 18404 1 1 1 1 31 LYS HB2 -0.99 A 1.78 0.25 1.5687e-28 18404 1 1 1 1 31 LYS HB3 0.26 S 1.74 0.27 4.2178e-08 18404 1 1 1 1 31 LYS HG2 -0.45 S 1.37 0.26 2.5596e-12 18404 1 1 1 1 31 LYS HG3 0.57 . 1.35 0.28 5.3410e-03 18404 1 1 1 1 31 LYS HD2 0.87 S 1.61 0.22 7.6923e-04 18404 1 1 1 1 31 LYS HE2 2.32 . 2.92 0.19 1.5891e-03 18404 1 1 1 1 31 LYS N 125.88 . 121.05 3.77 2.0013e-01 18404 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 31 LYS LYS 0.81 18404 1 1 1 1 31 LYS ARG 0.16 18404 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18404 _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 18404 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18404 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18404 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18404 _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_