data_AVS_bmrb_pdb_report_26870 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 26870 _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 40 LYS Anomalous Consistent Suspicious Anomalous Consistent Consistent "HE3 > HB2" 0.9970 26870 1 1 1 1 40 LYS . . . . . . "HE3 > HB3" 0.9974 26870 1 1 1 1 40 LYS . . . . . . "HE3 > HD2" 0.9989 26870 1 1 1 1 40 LYS . . . . . . "HE3 > HD3" 0.9989 26870 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 40 LYS C 173.348 . 176.64 2 9.9764e-02 26870 1 1 1 1 40 LYS CA 53.471 . 56.95 2.2 1.1379e-01 26870 1 1 1 1 40 LYS CB 33.07 . 32.79 1.78 8.7501e-01 26870 1 1 1 1 40 LYS CG 23.21 . 24.89 1.13 1.3709e-01 26870 1 1 1 1 40 LYS CD 30.06 . 28.96 1.08 3.0843e-01 26870 1 1 1 1 40 LYS CE 41.49 . 41.89 0.82 6.2569e-01 26870 1 1 1 1 40 LYS H 8.24 . 8.19 0.6 9.3359e-01 26870 1 1 1 1 40 LYS HA 4.868 . 4.27 0.44 1.7412e-01 26870 1 1 1 1 40 LYS HB2 1.47 . 1.78 0.25 2.1498e-01 26870 1 1 1 1 40 LYS HB3 1.237 . 1.74 0.27 6.2468e-02 26870 1 1 1 1 40 LYS HG2 0.385 S 1.37 0.26 1.5158e-04 26870 1 1 1 1 40 LYS HG3 -0.916 S 1.35 0.28 5.8281e-16 26870 1 1 1 1 40 LYS HD2 0.98 . 1.61 0.22 4.1881e-03 26870 1 1 1 1 40 LYS HD3 0.74 S 1.6 0.22 9.2644e-05 26870 1 1 1 1 40 LYS HE2 1.944 S 2.92 0.19 2.7939e-07 26870 1 1 1 1 40 LYS HE3 0.713 A 2.91 0.2 4.5124e-28 26870 1 1 1 1 40 LYS N 120.207 . 121.05 3.77 8.2306e-01 26870 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 40 LYS LYS 0.77 26870 1 1 1 1 40 LYS ALA 0.18 26870 1 1 1 1 40 LYS ARG 0.02 26870 1 1 1 1 40 LYS GLY 0.01 26870 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 26870 _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 26870 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 26870 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 26870 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 26870 _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_