data_AVS_bmrb_pdb_report_4770 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4770 _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 4770 1 1 1 1 8 LYS Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 4770 1 1 1 1 56 LEU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 4770 1 1 1 1 162 ALA Anomalous Consistent Consistent Consistent Consistent Anomalous . . 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 4770 1 1 1 1 8 LYS CA 55.96 . 56.84 2.25 6.9571e-01 4770 1 1 1 1 8 LYS CB 32.28 . 32.83 1.88 7.6986e-01 4770 1 1 1 1 8 LYS H 10.60 S 8.22 0.64 2.0021e-04 4770 1 1 1 1 8 LYS N 136.30 M 121.16 4.11 2.2987e-04 4770 1 1 1 1 56 LEU CA 53.24 . 55.65 2.21 2.7549e-01 4770 1 1 1 1 56 LEU CB 43.51 . 42.37 1.86 5.3994e-01 4770 1 1 1 1 56 LEU H 9.47 . 8.22 0.65 5.4470e-02 4770 1 1 1 1 56 LEU N 136.06 M 121.98 4.07 5.4126e-04 4770 1 1 1 1 162 ALA CA 54.38 . 53.16 2.06 5.5369e-01 4770 1 1 1 1 162 ALA CB 18.69 . 18.9 1.85 9.0962e-01 4770 1 1 1 1 162 ALA H 9.27 . 8.2 0.6 7.4532e-02 4770 1 1 1 1 162 ALA N 137.22 M 123.23 3.7 1.5615e-04 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 4770 1 1 1 1 8 LYS MET 0.18 4770 1 1 1 1 8 LYS LYS 0.16 4770 1 1 1 1 8 LYS CYS 0.16 4770 1 1 1 1 8 LYS ARG 0.11 4770 1 1 1 1 8 LYS HIS 0.1 4770 1 1 1 1 8 LYS TRP 0.09 4770 1 1 1 1 8 LYS GLN 0.07 4770 1 1 1 1 8 LYS GLU 0.07 4770 1 1 1 1 8 LYS VAL 0.01 4770 1 1 1 1 56 LEU LEU 0.3 4770 1 1 1 1 56 LEU ARG 0.19 4770 1 1 1 1 56 LEU ASP 0.13 4770 1 1 1 1 56 LEU GLY 0.13 4770 1 1 1 1 56 LEU CYS 0.12 4770 1 1 1 1 56 LEU LYS 0.03 4770 1 1 1 1 56 LEU PHE 0.02 4770 1 1 1 1 56 LEU TYR 0.01 4770 1 1 1 1 56 LEU ASN 0.01 4770 1 1 1 1 162 ALA ALA 0.51 4770 1 1 1 1 162 ALA MET 0.42 4770 1 1 1 1 162 ALA CYS 0.03 4770 1 1 1 1 162 ALA ILE 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4770 _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 4770 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 4770 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 4770 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4770 _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_