data_AVS_bmrb_pdb_report_5815 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5815 _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 7 ALA Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 1 1 1 1 8 LYS Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 1 1 1 1 9 ALA Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 1 1 1 1 10 ALA Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 1 1 1 1 11 PHE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 1 1 1 1 12 ASP Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 1 1 1 1 13 SER Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 1 1 1 1 14 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 1 1 1 1 15 GLN Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 1 1 1 1 16 ALA Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 1 1 1 1 17 SER Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 1 1 1 1 18 ALA Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 1 1 1 1 19 THR Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 1 1 1 1 20 GLU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 1 1 1 1 21 MET Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 1 1 1 1 22 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 1 1 1 1 23 GLY Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 1 1 1 1 24 TYR Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 1 1 1 1 25 ALA Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 1 1 1 1 26 TRP Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 1 1 1 1 27 ALA Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 1 1 1 1 28 MET Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 1 1 1 1 29 VAL Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 1 1 1 1 30 VAL Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 1 1 1 1 31 VAL Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 1 1 1 1 32 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 1 1 1 1 33 VAL Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 1 1 1 1 34 GLY Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 1 1 1 1 35 ALA Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 1 1 1 1 36 THR Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 1 1 1 1 37 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 1 1 1 1 38 GLY Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 1 1 1 1 39 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 1 1 1 1 40 LYS Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 1 1 1 1 41 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 1 1 1 1 42 PHE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 1 1 1 1 43 LYS Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 1 1 1 1 44 LYS Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 1 1 1 1 45 PHE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 1 1 1 1 46 THR Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 1 1 1 1 47 SER Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 1 1 1 1 48 LYS Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 1 1 1 1 49 ALA Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5815 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 7 ALA N 179.4 A 123.23 3.54 1.0685e-56 5815 1 1 1 1 8 LYS N 217 A 121.05 3.77 0.0000e+00 5815 1 1 1 1 9 ALA N 219.6 A 123.23 3.54 0.0000e+00 5815 1 1 1 1 10 ALA N 159.5 A 123.23 3.54 1.2365e-24 5815 1 1 1 1 11 PHE N 197.2 A 120.45 4.18 2.6839e-75 5815 1 1 1 1 12 ASP N 216.7 A 120.65 3.86 0.0000e+00 5815 1 1 1 1 13 SER N 172.3 A 116.28 3.52 5.0048e-57 5815 1 1 1 1 14 LEU N 183.5 A 121.86 3.9 2.8681e-56 5815 1 1 1 1 15 GLN N 216.5 A 119.89 3.6 0.0000e+00 5815 1 1 1 1 16 ALA N 217.9 A 123.23 3.54 0.0000e+00 5815 1 1 1 1 17 SER N 169.8 A 116.28 3.52 3.2991e-52 5815 1 1 1 1 18 ALA N 200 A 123.23 3.54 0.0000e+00 5815 1 1 1 1 19 THR N 211.5 A 115.42 4.75 0.0000e+00 5815 1 1 1 1 20 GLU N 203.8 A 120.67 3.48 0.0000e+00 5815 1 1 1 1 21 MET N 179 A 120.09 3.57 3.5848e-61 5815 1 1 1 1 22 ILE N 199 A 121.46 4.28 2.3477e-73 5815 1 1 1 1 23 GLY N 211.8 A 109.67 3.87 0.0000e+00 5815 1 1 1 1 24 TYR N 190.4 A 120.52 4.2 3.6918e-62 5815 1 1 1 1 25 ALA N 175 A 123.23 3.54 1.9660e-48 5815 1 1 1 1 26 TRP N 207.7 A 121.68 4.18 0.0000e+00 5815 1 1 1 1 27 ALA N 214.6 A 123.23 3.54 0.0000e+00 5815 1 1 1 1 28 MET N 166.2 A 120.09 3.57 3.6582e-38 5815 1 1 1 1 29 VAL N 185.3 A 121.14 4.54 2.4065e-45 5815 1 1 1 1 30 VAL N 217 A 121.14 4.54 0.0000e+00 5815 1 1 1 1 31 VAL N 210 A 121.14 4.54 2.6437e-85 5815 1 1 1 1 32 ILE N 164 A 121.46 4.28 2.8093e-23 5815 1 1 1 1 33 VAL N 193.2 A 121.14 4.54 9.8646e-57 5815 1 1 1 1 34 GLY N 216 A 109.67 3.87 0.0000e+00 5815 1 1 1 1 35 ALA N 192 A 123.23 3.54 4.6025e-84 5815 1 1 1 1 36 THR N 159.6 A 115.42 4.75 1.3906e-20 5815 1 1 1 1 37 ILE N 202 A 121.46 4.28 5.4024e-79 5815 1 1 1 1 38 GLY N 210.8 A 109.67 3.87 0.0000e+00 5815 1 1 1 1 39 ILE N 209.2 A 121.46 4.28 0.0000e+00 5815 1 1 1 1 40 LYS N 201.5 A 121.05 3.77 0.0000e+00 5815 1 1 1 1 41 LEU N 216.6 A 121.86 3.9 0.0000e+00 5815 1 1 1 1 42 PHE N 229 A 120.45 4.18 0.0000e+00 5815 1 1 1 1 43 LYS N 206.3 A 121.05 3.77 0.0000e+00 5815 1 1 1 1 44 LYS N 192.5 A 121.05 3.77 4.2306e-80 5815 1 1 1 1 45 PHE N 215.7 A 120.45 4.18 0.0000e+00 5815 1 1 1 1 46 THR N 210.5 A 115.42 4.75 0.0000e+00 5815 1 1 1 1 47 SER N 196.2 A 116.28 3.52 0.0000e+00 5815 1 1 1 1 48 LYS N 190.2 A 121.05 3.77 3.8123e-75 5815 1 1 1 1 49 ALA N 205.4 A 123.23 3.54 0.0000e+00 5815 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5815 _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 5815 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 5815 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 5815 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5815 _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_