data_AVS_bmrb_pdb_report_6308 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6308 _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 6308 1 1 1 1 70 LYS Anomalous Consistent Suspicious Anomalous Consistent Consistent "HZ > HA" 0.9940 6308 1 1 1 1 80 LYS Anomalous Consistent Suspicious Anomalous Consistent Consistent "HZ > HA" 0.9940 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 6308 1 1 1 1 70 LYS CA 59.508 . 56.84 2.25 2.3571e-01 6308 1 1 1 1 70 LYS CB 31.978 . 32.83 1.88 6.5041e-01 6308 1 1 1 1 70 LYS CG 24.639 . 24.91 1.31 8.3611e-01 6308 1 1 1 1 70 LYS CD 29.715 . 28.78 1.39 5.0116e-01 6308 1 1 1 1 70 LYS CE 42.296 . 41.78 0.98 5.9852e-01 6308 1 1 1 1 70 LYS H 7.864 . 8.22 0.64 5.7804e-01 6308 1 1 1 1 70 LYS HA 3.694 . 4.28 0.45 1.9284e-01 6308 1 1 1 1 70 LYS HB2 1.621 . 1.79 0.25 4.9904e-01 6308 1 1 1 1 70 LYS HB3 1.466 . 1.78 0.26 2.2717e-01 6308 1 1 1 1 70 LYS HG2 0.912 . 1.38 0.27 8.3037e-02 6308 1 1 1 1 70 LYS HG3 0.314 S 1.37 0.29 2.7118e-04 6308 1 1 1 1 70 LYS HD2 1.378 . 1.61 0.25 3.5341e-01 6308 1 1 1 1 70 LYS HZ 2.752 M 7.52 0.36 4.8586e-40 6308 1 1 1 1 70 LYS N 123.246 . 121.16 4.11 6.1177e-01 6308 1 1 1 1 80 LYS CA 55.386 . 56.84 2.25 5.1814e-01 6308 1 1 1 1 80 LYS CB 38.617 . 32.83 1.88 2.0826e-03 6308 1 1 1 1 80 LYS CG 26.630 . 24.91 1.31 1.8919e-01 6308 1 1 1 1 80 LYS CD 29.193 . 28.78 1.39 7.6637e-01 6308 1 1 1 1 80 LYS CE 42.070 . 41.78 0.98 7.6729e-01 6308 1 1 1 1 80 LYS H 9.294 . 8.22 0.64 9.3323e-02 6308 1 1 1 1 80 LYS HA 5.000 . 4.28 0.45 1.0960e-01 6308 1 1 1 1 80 LYS HB2 1.809 . 1.79 0.25 9.3942e-01 6308 1 1 1 1 80 LYS HB3 1.721 . 1.78 0.26 8.2048e-01 6308 1 1 1 1 80 LYS HG2 1.395 . 1.38 0.27 9.5570e-01 6308 1 1 1 1 80 LYS HD2 1.543 . 1.61 0.25 7.8870e-01 6308 1 1 1 1 80 LYS HZ 2.617 M 7.52 0.36 3.0689e-42 6308 1 1 1 1 80 LYS N 122.597 . 121.16 4.11 7.2661e-01 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.PRTL_comp_type _AVS_analysis.PRTL_probability_score 6308 1 1 1 1 70 LYS LYS 0.38 6308 1 1 1 1 70 LYS CYS 0.38 6308 1 1 1 1 70 LYS ARG 0.17 6308 1 1 1 1 70 LYS MET 0.03 6308 1 1 1 1 70 LYS GLY 0.01 6308 1 1 1 1 80 LYS ARG 0.49 6308 1 1 1 1 80 LYS CYS 0.46 6308 1 1 1 1 80 LYS LYS 0.02 6308 1 1 1 1 80 LYS GLY 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6308 _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 6308 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 6308 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6308 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6308 _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_