data_AVS_bmrb_pdb_report_30186 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 30186 _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 46 HIS Anomalous Consistent Consistent Anomalous Consistent Anomalous . . 30186 1 1 1 1 101 ILE Anomalous Consistent Consistent Anomalous Suspicious Consistent . . 30186 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 46 HIS CA 57.807 . 56.52 2.31 5.7743e-01 30186 1 1 1 1 46 HIS CB 28.179 . 30.24 2.07 3.1942e-01 30186 1 1 1 1 46 HIS CD2 122.252 . 120.49 3.42 6.0641e-01 30186 1 1 1 1 46 HIS CE1 134.633 . 137.71 2.12 1.4666e-01 30186 1 1 1 1 46 HIS H 7.631 . 8.24 0.68 3.7047e-01 30186 1 1 1 1 46 HIS HA 3.258 . 4.61 0.43 1.6655e-03 30186 1 1 1 1 46 HIS HB2 1.505 S 3.1 0.36 9.3991e-06 30186 1 1 1 1 46 HIS HB3 1.754 S 3.04 0.38 7.1383e-04 30186 1 1 1 1 46 HIS HD1 9.962 . 8.68 2.62 6.2462e-01 30186 1 1 1 1 46 HIS HD2 1.097 A 7 0.43 6.9101e-43 30186 1 1 1 1 46 HIS HE1 2.637 A 7.95 0.48 1.7786e-28 30186 1 1 1 1 46 HIS N 117.966 . 119.69 4 6.6647e-01 30186 1 1 1 1 46 HIS ND1 31.026 A 195.02 18.51 8.0193e-19 30186 1 1 1 1 101 ILE CA 64.873 . 61.61 2.68 2.2340e-01 30186 1 1 1 1 101 ILE CB 35.727 . 38.63 2.02 1.5068e-01 30186 1 1 1 1 101 ILE CG1 28.590 . 27.71 1.68 6.0041e-01 30186 1 1 1 1 101 ILE CG2 12.356 S 17.53 1.36 1.4214e-04 30186 1 1 1 1 101 ILE CD1 11.789 . 13.43 1.67 3.2579e-01 30186 1 1 1 1 101 ILE H 7.154 . 8.28 0.68 9.7746e-02 30186 1 1 1 1 101 ILE HA 1.996 S 4.18 0.56 9.6193e-05 30186 1 1 1 1 101 ILE HB 0.007 S 1.78 0.29 9.7290e-10 30186 1 1 1 1 101 ILE HG12 -1.576 S 1.28 0.4 9.3331e-13 30186 1 1 1 1 101 ILE HG13 0.417 . 1.19 0.41 5.9381e-02 30186 1 1 1 1 101 ILE HG21 -3.919 A 0.77 0.27 1.4755e-67 30186 1 1 1 1 101 ILE HG22 -3.919 A 0.77 0.27 1.4755e-67 30186 1 1 1 1 101 ILE HG23 -3.919 A 0.77 0.27 1.4755e-67 30186 1 1 1 1 101 ILE HD11 -1.569 A 0.68 0.29 8.8224e-15 30186 1 1 1 1 101 ILE HD12 -1.569 A 0.68 0.29 8.8224e-15 30186 1 1 1 1 101 ILE HD13 -1.569 A 0.68 0.29 8.8224e-15 30186 1 1 1 1 101 ILE N 119.362 . 121.46 4.28 6.2400e-01 30186 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 46 HIS TRP 0.64 30186 1 1 1 1 46 HIS HIS 0.35 30186 1 1 1 1 101 ILE ILE 0.99 30186 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 30186 _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 30186 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 30186 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 30186 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 30186 _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_