data_AVS_bmrb_pdb_report_15875 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15875 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 56 LEU Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 15875 1 1 1 1 99 GLU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 15875 1 1 1 1 100 GLY Anomalous Consistent Consistent Consistent Anomalous Suspicious . . 15875 1 stop_ loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 56 LEU C 177.006 . 176.97 2.09 9.8626e-01 15875 1 1 1 1 56 LEU CA 51.809 . 55.65 2.21 8.2209e-02 15875 1 1 1 1 56 LEU CB 18.688 A 42.37 1.86 3.9135e-37 15875 1 1 1 1 56 LEU H 9.335 . 8.22 0.65 8.6275e-02 15875 1 1 1 1 56 LEU N 122.445 . 121.98 4.07 9.0904e-01 15875 1 1 1 1 99 GLU C 176.662 . 176.93 2.11 8.9893e-01 15875 1 1 1 1 99 GLU CA 57.783 . 57.42 2.19 8.6835e-01 15875 1 1 1 1 99 GLU CB 30.116 . 30.07 1.84 9.8006e-01 15875 1 1 1 1 99 GLU H 8.094 . 8.34 0.61 6.8674e-01 15875 1 1 1 1 99 GLU N 107.719 A 120.68 3.68 4.2829e-04 15875 1 1 1 1 100 GLY C 183.344 A 174.04 1.94 1.6197e-06 15875 1 1 1 1 100 GLY CA 43.887 . 45.33 1.42 3.0954e-01 15875 1 1 1 1 100 GLY H 6.992 . 8.34 0.74 6.8513e-02 15875 1 1 1 1 100 GLY N 128.233 S 109.91 4.29 1.9452e-05 15875 1 stop_ loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 56 LEU ALA 0.81 15875 1 1 1 1 56 LEU MET 0.16 15875 1 1 1 1 56 LEU CYS 0.01 15875 1 1 1 1 99 GLU TRP 0.15 15875 1 1 1 1 99 GLU GLU 0.14 15875 1 1 1 1 99 GLU ARG 0.13 15875 1 1 1 1 99 GLU HIS 0.12 15875 1 1 1 1 99 GLU CYS 0.12 15875 1 1 1 1 99 GLU GLN 0.11 15875 1 1 1 1 99 GLU LYS 0.08 15875 1 1 1 1 99 GLU MET 0.05 15875 1 1 1 1 99 GLU ILE 0.03 15875 1 1 1 1 99 GLU VAL 0.01 15875 1 1 1 1 100 GLY ARG 0.3 15875 1 1 1 1 100 GLY LEU 0.26 15875 1 1 1 1 100 GLY GLY 0.2 15875 1 1 1 1 100 GLY CYS 0.09 15875 1 1 1 1 100 GLY ASP 0.03 15875 1 1 1 1 100 GLY PHE 0.03 15875 1 1 1 1 100 GLY TYR 0.02 15875 1 1 1 1 100 GLY LYS 0.02 15875 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15875 _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.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu 15875 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15875 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15875 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15875 _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_