data_AVS_bmrb_pdb_report_11562 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11562 _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 8 PRO Anomalous Suspicious Suspicious Consistent Anomalous Indeterminable "CA > CB" 0.9989 11562 1 1 1 1 8 PRO . . . . . . "CA > CD" 0.9976 11562 1 1 1 1 110 LYS Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 11562 1 1 1 1 110 LYS . . . . . . "C > CB" 1.0000 11562 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 8 PRO C 64.254 A 176.75 1.51 0.0000e+00 11562 1 1 1 1 8 PRO CA 32.026 A 63.33 1.52 0.0000e+00 11562 1 1 1 1 8 PRO CB 32.053 . 31.85 1.18 8.6341e-01 11562 1 1 1 1 8 PRO CD 49.723 . 50.32 0.99 5.4649e-01 11562 1 1 1 1 8 PRO HA 4.385 . 4.4 0.33 9.6375e-01 11562 1 1 1 1 8 PRO HB2 1.771 . 2.08 0.35 3.7731e-01 11562 1 1 1 1 8 PRO HB3 2.064 . 2 0.36 8.5890e-01 11562 1 1 1 1 8 PRO HD2 3.599 . 3.65 0.35 8.8415e-01 11562 1 1 1 1 8 PRO HD3 3.303 . 3.61 0.39 4.3118e-01 11562 1 1 1 1 110 LYS C 1.77708 A 176.64 2 0.0000e+00 11562 1 1 1 1 110 LYS CA 59.865 . 56.95 2.2 1.8517e-01 11562 1 1 1 1 110 LYS CB 32.551 . 32.79 1.78 8.9319e-01 11562 1 1 1 1 110 LYS H 7.38 . 8.19 0.6 1.7702e-01 11562 1 1 1 1 110 LYS HA 3.963 . 4.27 0.44 4.8535e-01 11562 1 1 1 1 110 LYS HB3 2.055 . 1.74 0.27 2.4334e-01 11562 1 1 1 1 110 LYS N 118.396 . 121.05 3.77 4.8145e-01 11562 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 8 PRO CYS 0.91 11562 1 1 1 1 8 PRO GLN 0.04 11562 1 1 1 1 8 PRO GLY 0.02 11562 1 1 1 1 110 LYS CYS 0.28 11562 1 1 1 1 110 LYS VAL 0.2 11562 1 1 1 1 110 LYS LYS 0.13 11562 1 1 1 1 110 LYS TRP 0.1 11562 1 1 1 1 110 LYS ARG 0.07 11562 1 1 1 1 110 LYS HIS 0.06 11562 1 1 1 1 110 LYS GLN 0.05 11562 1 1 1 1 110 LYS GLU 0.05 11562 1 1 1 1 110 LYS PRO 0.02 11562 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11562 _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 11562 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11562 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11562 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11562 _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_