data_AVS_bmrb_pdb_report_19456 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19456 _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 2 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19456 1 1 1 1 3 HIS Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19456 1 1 1 1 4 HIS Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19456 1 1 1 1 5 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19456 1 1 1 1 6 PHE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19456 1 1 1 1 7 ARG Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19456 1 1 1 1 9 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19456 1 1 1 1 10 VAL Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19456 1 1 1 1 11 HIS Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19456 1 1 1 1 12 ALA Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19456 1 1 1 1 14 ARG Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19456 1 1 1 1 15 SER Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19456 1 1 1 1 16 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19456 1 1 1 1 18 ARG Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19456 1 1 1 1 19 PHE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19456 1 1 1 1 20 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19456 1 1 1 1 21 THR Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19456 1 1 1 1 223 NH UNSUPPORTED . . . . . . . 19456 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 2 ILE N 54.7 A 121.46 4.28 7.4957e-55 19456 1 1 1 1 3 HIS N 59.0 A 119.69 4 5.3788e-52 19456 1 1 1 1 4 HIS N 65.3 A 119.69 4 4.1436e-42 19456 1 1 1 1 5 ILE N 45.9 A 121.46 4.28 9.4453e-70 19456 1 1 1 1 6 PHE N 67.3 A 120.45 4.18 4.8617e-37 19456 1 1 1 1 7 ARG N 37.5 A 120.8 3.68 0.0000e+00 19456 1 1 1 1 9 ILE N 55.6 A 121.46 4.28 1.9748e-53 19456 1 1 1 1 10 VAL N 44.6 A 121.14 4.54 9.0054e-64 19456 1 1 1 1 11 HIS N 57.2 A 119.69 4 5.1160e-55 19456 1 1 1 1 12 ALA N 55.6 A 123.23 3.54 2.3155e-81 19456 1 1 1 1 14 ARG N 49.2 A 120.8 3.68 2.5662e-84 19456 1 1 1 1 15 SER N 62.8 A 116.28 3.52 3.9240e-52 19456 1 1 1 1 16 ILE N 38.0 A 121.46 4.28 1.0978e-84 19456 1 1 1 1 18 ARG N 54.5 A 120.8 3.68 1.4512e-72 19456 1 1 1 1 19 PHE N 63.2 A 120.45 4.18 1.0702e-42 19456 1 1 1 1 20 LEU N 49.1 A 121.86 3.9 1.1201e-77 19456 1 1 1 1 21 THR N 43.8 A 115.42 4.75 2.2637e-51 19456 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19456 _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 19456 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19456 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19456 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19456 _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_