data_AVS_bmrb_pdb_report_19709 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19709 _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 1 113 LYS Anomalous Consistent Suspicious Anomalous Consistent Consistent "HE2 > HB2" 0.9970 19709 1 1 1 1 113 LYS . . . . . . "HE2 > HB3" 0.9957 19709 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 1 113 LYS C 173.502 . 176.64 2 1.1665e-01 19709 1 1 1 1 113 LYS CA 55.443 . 56.95 2.2 4.9334e-01 19709 1 1 1 1 113 LYS CB 36.052 . 32.79 1.78 6.6865e-02 19709 1 1 1 1 113 LYS CD 30.027 . 28.96 1.08 3.2317e-01 19709 1 1 1 1 113 LYS CE 42.593 . 41.89 0.82 3.9127e-01 19709 1 1 1 1 113 LYS H 9.946 . 8.19 0.6 3.4262e-03 19709 1 1 1 1 113 LYS HA 4.690 . 4.27 0.44 3.3981e-01 19709 1 1 1 1 113 LYS HB2 1.543 . 1.78 0.25 3.4313e-01 19709 1 1 1 1 113 LYS HB3 1.363 . 1.74 0.27 1.6263e-01 19709 1 1 1 1 113 LYS HD2 -0.011 S 1.61 0.22 1.7297e-13 19709 1 1 1 1 113 LYS HD3 0.013 S 1.6 0.22 5.4477e-13 19709 1 1 1 1 113 LYS HE2 0.764 A 2.92 0.19 7.6428e-30 19709 1 1 1 1 113 LYS HE3 1.771 S 2.91 0.2 1.2337e-08 19709 1 1 1 1 113 LYS N 125.954 . 121.05 3.77 1.9333e-01 19709 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 1 113 LYS CYS 0.69 19709 1 1 1 1 113 LYS LYS 0.25 19709 1 1 1 1 113 LYS GLY 0.04 19709 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19709 _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 19709 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19709 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19709 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19709 _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_