data_AVS_bmrb_pdb_report_30616 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 30616 _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 PHE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 30616 1 1 1 1 3 HIS Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 30616 1 1 1 1 4 HIS Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 30616 1 1 1 1 5 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 30616 1 1 1 1 6 PHE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 30616 1 1 1 1 7 ARG Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 30616 1 1 1 1 9 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 30616 1 1 1 1 10 VAL Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 30616 1 1 1 1 11 HIS Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 30616 1 1 1 1 12 VAL Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 30616 1 1 1 1 13 GLY Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 30616 1 1 1 1 14 LYS Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 30616 1 1 1 1 15 THR Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 30616 1 1 1 1 16 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 30616 1 1 1 1 17 HIS Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 30616 1 1 1 1 18 ARG Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 30616 1 1 1 1 19 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 30616 1 1 1 1 20 VAL Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 30616 1 1 1 1 21 THR Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 30616 1 1 1 1 223 NH UNSUPPORTED . . . . . . . 30616 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 PHE N 51.53 A 120.45 4.18 4.4724e-61 30616 1 1 1 1 3 HIS N 47.20 A 119.69 4 2.1175e-73 30616 1 1 1 1 4 HIS N 63.20 A 119.69 4 2.7602e-45 30616 1 1 1 1 5 ILE N 42.80 A 121.46 4.28 1.9528e-75 30616 1 1 1 1 6 PHE N 63.20 A 120.45 4.18 1.0702e-42 30616 1 1 1 1 7 ARG N 53.40 A 120.8 3.68 6.2577e-75 30616 1 1 1 1 9 ILE N 54.80 A 121.46 4.28 1.0805e-54 30616 1 1 1 1 10 VAL N 51.80 A 121.14 4.54 1.1550e-52 30616 1 1 1 1 11 HIS N 67.50 A 119.69 4 6.5667e-39 30616 1 1 1 1 12 VAL N 47.10 A 121.14 4.54 8.6059e-60 30616 1 1 1 1 13 GLY N 36.51 A 109.67 3.87 1.0494e-79 30616 1 1 1 1 14 LYS N 51.60 A 121.05 3.77 8.7914e-76 30616 1 1 1 1 15 THR N 70.90 A 115.42 4.75 7.0746e-21 30616 1 1 1 1 16 ILE N 39.80 A 121.46 4.28 3.7425e-81 30616 1 1 1 1 17 HIS N 61.00 A 119.69 4 9.6715e-49 30616 1 1 1 1 18 ARG N 64.05 A 120.8 3.68 1.1790e-53 30616 1 1 1 1 19 LEU N 54.20 A 121.86 3.9 2.0170e-67 30616 1 1 1 1 20 VAL N 42.90 A 121.14 4.54 1.4892e-66 30616 1 1 1 1 21 THR N 49.40 A 115.42 4.75 6.4280e-44 30616 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 30616 _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 30616 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 30616 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 30616 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 30616 _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_