data_AVS_bmrb_pdb_report_6478 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6478 _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 6478 1 1 1 1 51 LYS Anomalous Consistent Consistent Consistent Anomalous 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 6478 1 1 1 1 51 LYS C 170.07 M 176.46 2.05 1.8266e-03 6478 1 1 1 1 51 LYS CA 50.56 . 56.84 2.25 5.2527e-03 6478 1 1 1 1 51 LYS CB 30.81 . 32.83 1.88 2.8261e-01 6478 1 1 1 1 51 LYS CG 21.64 . 24.91 1.31 1.2554e-02 6478 1 1 1 1 51 LYS CD 26.18 . 28.78 1.39 6.1414e-02 6478 1 1 1 1 51 LYS CE 39.5 . 41.78 0.98 1.9990e-02 6478 1 1 1 1 51 LYS H 8.10 . 8.22 0.64 8.5127e-01 6478 1 1 1 1 51 LYS HA 4.50 . 4.28 0.45 6.2492e-01 6478 1 1 1 1 51 LYS HB2 1.71 . 1.79 0.25 7.4897e-01 6478 1 1 1 1 51 LYS HB3 1.54 . 1.78 0.26 3.5597e-01 6478 1 1 1 1 51 LYS HG2 1.30 . 1.38 0.27 7.6700e-01 6478 1 1 1 1 51 LYS HG3 1.27 . 1.37 0.29 7.3022e-01 6478 1 1 1 1 51 LYS HD2 1.65 . 1.61 0.25 8.7288e-01 6478 1 1 1 1 51 LYS HD3 1.65 . 1.61 0.25 8.7288e-01 6478 1 1 1 1 51 LYS HE2 2.98 . 2.93 0.2 8.0259e-01 6478 1 1 1 1 51 LYS HE3 2.98 . 2.93 0.2 8.0259e-01 6478 1 1 1 1 51 LYS N 129.59 . 121.16 4.11 4.0258e-02 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 6478 1 1 1 1 51 LYS ALA 0.97 6478 1 1 1 1 51 LYS MET 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6478 _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 6478 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 6478 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6478 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6478 _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_