data_AVS_bmrb_pdb_report_15622 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15622 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 15622 1 1 1 1 17 LYS Anomalous Indeterminable Suspicious Anomalous Indeterminable Consistent "HE2 > HB2" 0.9970 15622 1 1 1 1 17 LYS . . . . . . "HE3 > HB2" 0.9970 15622 1 1 1 1 17 LYS . . . . . . "HE3 > HB3" 0.9974 15622 1 1 1 1 17 LYS . . . . . . "HE3 > HG3" 0.9993 15622 1 1 1 1 17 LYS . . . . . . "HE3 > HD2" 0.9989 15622 1 1 1 1 17 LYS . . . . . . "HE2 > HD3" 0.9989 15622 1 1 1 1 17 LYS . . . . . . "HE3 > HD3" 0.9989 15622 1 1 1 1 30 LEU Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 15622 1 1 1 1 35 LYS Anomalous Indeterminable Consistent Anomalous Indeterminable Consistent . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 15622 1 1 1 1 17 LYS H 7.824 . 8.22 0.64 5.3608e-01 15622 1 1 1 1 17 LYS HA 4.222 . 4.28 0.45 8.9745e-01 15622 1 1 1 1 17 LYS HB2 2.179 . 1.79 0.25 1.1971e-01 15622 1 1 1 1 17 LYS HB3 1.698 . 1.78 0.26 7.5247e-01 15622 1 1 1 1 17 LYS HG2 0.026 S 1.38 0.27 5.3085e-07 15622 1 1 1 1 17 LYS HG3 1.200 . 1.37 0.29 5.5774e-01 15622 1 1 1 1 17 LYS HD2 1.346 . 1.61 0.25 2.9097e-01 15622 1 1 1 1 17 LYS HD3 2.318 . 1.61 0.25 4.6258e-03 15622 1 1 1 1 17 LYS HE2 1.900 S 2.93 0.2 2.6049e-07 15622 1 1 1 1 17 LYS HE3 0.978 M 2.93 0.2 1.6716e-22 15622 1 1 1 1 17 LYS N 124.51 . 121.16 4.11 4.1502e-01 15622 1 1 1 1 30 LEU H 5.227 M 8.22 0.65 4.1323e-06 15622 1 1 1 1 30 LEU HA 3.173 . 4.32 0.47 1.4670e-02 15622 1 1 1 1 30 LEU HB2 1.830 . 1.63 0.34 5.5637e-01 15622 1 1 1 1 30 LEU HG 1.210 . 1.54 0.33 3.1731e-01 15622 1 1 1 1 30 LEU HD1 0.763 . 0.77 0.27 9.7932e-01 15622 1 1 1 1 30 LEU HD2 0.987 . 0.76 0.28 4.1753e-01 15622 1 1 1 1 35 LYS H 8.804 . 8.22 0.64 3.6151e-01 15622 1 1 1 1 35 LYS HA 4.540 . 4.28 0.45 5.6341e-01 15622 1 1 1 1 35 LYS HB2 -0.379 M 1.79 0.25 4.0993e-18 15622 1 1 1 1 35 LYS HB3 0.643 S 1.78 0.26 1.2251e-05 15622 1 1 1 1 35 LYS HG2 1.056 . 1.38 0.27 2.3014e-01 15622 1 1 1 1 35 LYS HD2 1.577 . 1.61 0.25 8.9498e-01 15622 1 1 1 1 35 LYS N 123.36 . 121.16 4.11 5.9246e-01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15622 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 15622 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 15622 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15622 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15622 _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_