data_AVS_bmrb_pdb_report_4807 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4807 _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 4807 1 1 1 1 23 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 4807 1 1 1 1 62 SER Anomalous Consistent Consistent Anomalous Consistent 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 4807 1 1 1 1 23 LEU CA 53.10 . 55.65 2.21 2.4856e-01 4807 1 1 1 1 23 LEU H 8.35 . 8.22 0.65 8.4148e-01 4807 1 1 1 1 23 LEU HD1 -0.82 S 0.77 0.27 3.8880e-09 4807 1 1 1 1 23 LEU HD2 -2.12 M 0.76 0.28 8.1734e-25 4807 1 1 1 1 23 LEU N 122.38 . 121.98 4.07 9.2171e-01 4807 1 1 1 1 62 SER CA 59.26 . 58.57 2.12 7.4482e-01 4807 1 1 1 1 62 SER H 11.80 M 8.29 0.62 1.5024e-08 4807 1 1 1 1 62 SER N 126.16 . 116.3 3.95 1.2553e-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 4807 1 1 1 1 23 LEU ALA 0.29 4807 1 1 1 1 23 LEU ASN 0.25 4807 1 1 1 1 23 LEU ASP 0.14 4807 1 1 1 1 23 LEU LEU 0.07 4807 1 1 1 1 23 LEU HIS 0.05 4807 1 1 1 1 23 LEU ARG 0.03 4807 1 1 1 1 23 LEU GLN 0.03 4807 1 1 1 1 23 LEU LYS 0.02 4807 1 1 1 1 23 LEU TRP 0.02 4807 1 1 1 1 23 LEU TYR 0.01 4807 1 1 1 1 23 LEU PHE 0.01 4807 1 1 1 1 23 LEU GLU 0.01 4807 1 1 1 1 62 SER SER 0.14 4807 1 1 1 1 62 SER PHE 0.13 4807 1 1 1 1 62 SER TYR 0.12 4807 1 1 1 1 62 SER TRP 0.1 4807 1 1 1 1 62 SER ILE 0.07 4807 1 1 1 1 62 SER GLU 0.07 4807 1 1 1 1 62 SER ARG 0.06 4807 1 1 1 1 62 SER VAL 0.05 4807 1 1 1 1 62 SER THR 0.05 4807 1 1 1 1 62 SER LYS 0.05 4807 1 1 1 1 62 SER HIS 0.04 4807 1 1 1 1 62 SER GLN 0.04 4807 1 1 1 1 62 SER LEU 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4807 _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 4807 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 4807 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 4807 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4807 _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_