data_AVS_bmrb_pdb_report_6352 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6352 _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 6352 1 1 1 1 13 LYS Anomalous Suspicious Consistent Consistent Anomalous Indeterminable . . 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 6352 1 1 1 1 13 LYS C 180.353 . 176.46 2.05 5.7561e-02 6352 1 1 1 1 13 LYS CA 55.087 . 56.84 2.25 4.3591e-01 6352 1 1 1 1 13 LYS CB 20.996 M 32.83 1.88 3.0803e-10 6352 1 1 1 1 13 LYS H 8.392 . 8.22 0.64 7.8812e-01 6352 1 1 1 1 13 LYS HA 4.104 . 4.28 0.45 6.9571e-01 6352 1 1 1 1 13 LYS HB2 1.766 . 1.79 0.25 9.2352e-01 6352 1 1 1 1 13 LYS HB3 1.766 . 1.78 0.26 9.5706e-01 6352 1 1 1 1 13 LYS HG2 1.245 . 1.38 0.27 6.1707e-01 6352 1 1 1 1 13 LYS HG3 1.395 . 1.37 0.29 9.3130e-01 6352 1 1 1 1 13 LYS HD2 1.597 . 1.61 0.25 9.5853e-01 6352 1 1 1 1 13 LYS HD3 1.632 . 1.61 0.25 9.2988e-01 6352 1 1 1 1 13 LYS HE2 2.957 . 2.93 0.2 8.9261e-01 6352 1 1 1 1 13 LYS HE3 2.957 . 2.93 0.2 8.9261e-01 6352 1 1 1 1 13 LYS HZ 7.577 . 7.52 0.36 8.7419e-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 6352 1 1 1 1 13 LYS ALA 0.46 6352 1 1 1 1 13 LYS LEU 0.29 6352 1 1 1 1 13 LYS CYS 0.16 6352 1 1 1 1 13 LYS VAL 0.07 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6352 _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 6352 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 6352 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6352 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6352 _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_