data_AVS_bmrb_pdb_report_17620 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17620 _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 97 ILE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17620 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 97 ILE C 173.174 . 175.82 1.95 1.7481e-01 17620 1 1 1 1 97 ILE CA 61.054 . 61.59 2.78 8.4711e-01 17620 1 1 1 1 97 ILE CB 42.097 . 38.58 2.09 9.2419e-02 17620 1 1 1 1 97 ILE CG1 25.922 . 27.65 2.32 4.5638e-01 17620 1 1 1 1 97 ILE CG2 17.366 . 17.36 1.6 9.9701e-01 17620 1 1 1 1 97 ILE CD1 10.014 . 13.41 1.91 7.5402e-02 17620 1 1 1 1 97 ILE H 8.988 . 8.26 0.71 3.0520e-01 17620 1 1 1 1 97 ILE HA 4.564 . 4.2 0.56 5.1569e-01 17620 1 1 1 1 97 ILE HB 1.507 . 1.8 0.31 3.4458e-01 17620 1 1 1 1 97 ILE HG12 0.664 . 1.3 0.4 1.1183e-01 17620 1 1 1 1 97 ILE HG13 0.664 . 1.24 0.4 1.4987e-01 17620 1 1 1 1 97 ILE HG21 0.373 . 0.8 0.29 1.4091e-01 17620 1 1 1 1 97 ILE HG22 0.373 . 0.8 0.29 1.4091e-01 17620 1 1 1 1 97 ILE HG23 0.373 . 0.8 0.29 1.4091e-01 17620 1 1 1 1 97 ILE HD11 -1.070 A 0.7 0.3 3.6350e-09 17620 1 1 1 1 97 ILE HD12 -1.070 A 0.7 0.3 3.6350e-09 17620 1 1 1 1 97 ILE HD13 -1.070 A 0.7 0.3 3.6350e-09 17620 1 1 1 1 97 ILE N 118.423 . 121.6 4.72 5.0089e-01 17620 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 97 ILE CYS 0.5 17620 1 1 1 1 97 ILE ILE 0.45 17620 1 1 1 1 97 ILE GLY 0.04 17620 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17620 _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 17620 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17620 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17620 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17620 _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_