data_AVS_bmrb_pdb_report_19219 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19219 _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 1 238 ILE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 19219 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 1 238 ILE C 177.702 . 175.85 1.92 3.3475e-01 19219 1 1 1 1 238 ILE CA 62.520 . 61.61 2.68 7.3419e-01 19219 1 1 1 1 238 ILE CB 38.283 . 38.63 2.02 8.6361e-01 19219 1 1 1 1 238 ILE CG1 29.621 . 27.71 1.68 2.5533e-01 19219 1 1 1 1 238 ILE CG2 18.572 . 17.53 1.36 4.4357e-01 19219 1 1 1 1 238 ILE CD1 14.820 . 13.43 1.67 4.0522e-01 19219 1 1 1 1 238 ILE H 11.830 A 8.28 0.68 1.7836e-07 19219 1 1 1 1 238 ILE HA 4.270 . 4.18 0.56 8.7232e-01 19219 1 1 1 1 238 ILE HB 1.977 . 1.78 0.29 4.9694e-01 19219 1 1 1 1 238 ILE HG12 1.507 . 1.28 0.4 5.7037e-01 19219 1 1 1 1 238 ILE HG13 1.292 . 1.19 0.41 8.0353e-01 19219 1 1 1 1 238 ILE HG21 0.629 . 0.77 0.27 6.0152e-01 19219 1 1 1 1 238 ILE HG22 0.629 . 0.77 0.27 6.0152e-01 19219 1 1 1 1 238 ILE HG23 0.629 . 0.77 0.27 6.0152e-01 19219 1 1 1 1 238 ILE HD11 0.998 . 0.68 0.29 2.7284e-01 19219 1 1 1 1 238 ILE HD12 0.998 . 0.68 0.29 2.7284e-01 19219 1 1 1 1 238 ILE HD13 0.998 . 0.68 0.29 2.7284e-01 19219 1 1 1 1 238 ILE N 125.150 . 121.46 4.28 3.8861e-01 19219 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 1 238 ILE ILE 0.64 19219 1 1 1 1 238 ILE CYS 0.34 19219 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19219 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _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 19219 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19219 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19219 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19219 _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_