data_AVS_bmrb_pdb_report_5861 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5861 _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 5861 1 1 1 1 59 ILE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5861 1 1 1 1 71 GLU 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 5861 1 1 1 1 59 ILE C 172.8 . 175.82 1.95 1.2145e-01 5861 1 1 1 1 59 ILE CA 56.88 . 61.59 2.78 9.0219e-02 5861 1 1 1 1 59 ILE CB 45.58 M 38.58 2.09 8.1021e-04 5861 1 1 1 1 59 ILE H 8.10 . 8.26 0.71 8.2171e-01 5861 1 1 1 1 59 ILE HA 4.74 . 4.2 0.56 3.3490e-01 5861 1 1 1 1 59 ILE N 120.6 . 121.6 4.72 8.3221e-01 5861 1 1 1 1 71 GLU C 176.1 . 176.93 2.11 6.9405e-01 5861 1 1 1 1 71 GLU CA 55.72 . 57.42 2.19 4.3760e-01 5861 1 1 1 1 71 GLU CB 34.30 . 30.07 1.84 2.1510e-02 5861 1 1 1 1 71 GLU H 8.42 . 8.34 0.61 8.9566e-01 5861 1 1 1 1 71 GLU HA 4.07 . 4.26 0.43 6.5859e-01 5861 1 1 1 1 71 GLU N 109.5 M 120.68 3.68 2.3812e-03 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 5861 1 1 1 1 59 ILE GLY 0.74 5861 1 1 1 1 59 ILE LEU 0.16 5861 1 1 1 1 59 ILE ARG 0.06 5861 1 1 1 1 59 ILE PHE 0.01 5861 1 1 1 1 71 GLU MET 0.29 5861 1 1 1 1 71 GLU GLN 0.28 5861 1 1 1 1 71 GLU LYS 0.23 5861 1 1 1 1 71 GLU TRP 0.04 5861 1 1 1 1 71 GLU HIS 0.04 5861 1 1 1 1 71 GLU ARG 0.03 5861 1 1 1 1 71 GLU VAL 0.02 5861 1 1 1 1 71 GLU GLU 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5861 _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 5861 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 5861 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5861 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5861 _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_