data_AVS_bmrb_pdb_report_5877 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5877 _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 VAL Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5877 1 1 1 1 3 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5877 1 1 1 1 4 ASP Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5877 1 1 1 1 6 SER Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5877 1 1 1 1 7 ALA Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5877 1 1 1 1 8 VAL Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5877 1 1 1 1 9 GLU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5877 1 1 1 1 10 SER Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5877 1 1 1 1 11 ALA Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5877 1 1 1 1 12 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5877 1 1 1 1 13 THR Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5877 1 1 1 1 14 ASP Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5877 1 1 1 1 17 GLY Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5877 1 1 1 1 18 ASP Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5877 1 1 1 1 19 MET Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5877 1 1 1 1 20 LYS Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5877 1 1 1 1 21 ALA Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5877 1 1 1 1 22 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5877 1 1 1 1 23 GLY Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5877 1 1 1 1 24 GLY Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5877 1 1 1 1 25 TYR Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5877 1 1 1 1 26 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5877 1 1 1 1 27 VAL Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5877 1 1 1 1 28 GLY Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5877 1 1 1 1 29 ALA Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5877 1 1 1 1 30 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5877 1 1 1 1 31 VAL Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5877 1 1 1 1 32 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5877 1 1 1 1 33 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5877 1 1 1 1 34 ALA Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5877 1 1 1 1 35 VAL Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5877 1 1 1 1 36 ALA Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5877 1 1 1 1 38 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5877 1 1 1 1 39 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5877 1 1 1 1 40 TYR Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5877 1 1 1 1 41 SER Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5877 1 1 1 1 42 MET Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5877 1 1 1 1 43 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5877 1 1 1 1 44 ARG Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5877 1 1 1 1 45 LYS Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5877 1 1 1 1 46 ALA Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 5877 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 VAL N 164.1 A 121.14 4.54 3.0051e-21 5877 1 1 1 1 3 ILE N 91.4 A 121.46 4.28 2.1659e-12 5877 1 1 1 1 4 ASP N 90.3 A 120.65 3.86 3.7596e-15 5877 1 1 1 1 6 SER N 153.6 A 116.28 3.52 2.9083e-26 5877 1 1 1 1 7 ALA N 171 A 123.23 3.54 1.6884e-41 5877 1 1 1 1 8 VAL N 203.1 A 121.14 4.54 7.4905e-73 5877 1 1 1 1 9 GLU N 221.4 A 120.67 3.48 0.0000e+00 5877 1 1 1 1 10 SER N 196.2 A 116.28 3.52 0.0000e+00 5877 1 1 1 1 11 ALA N 162.8 A 123.23 3.54 5.2274e-29 5877 1 1 1 1 12 ILE N 188.3 A 121.46 4.28 5.5924e-55 5877 1 1 1 1 13 THR N 217.8 A 115.42 4.75 0.0000e+00 5877 1 1 1 1 14 ASP N 223.7 A 120.65 3.86 0.0000e+00 5877 1 1 1 1 17 GLY N 204.4 A 109.67 3.87 0.0000e+00 5877 1 1 1 1 18 ASP N 183.2 A 120.65 3.86 4.6744e-59 5877 1 1 1 1 19 MET N 175.5 A 120.09 3.57 2.5009e-54 5877 1 1 1 1 20 LYS N 211.1 A 121.05 3.77 0.0000e+00 5877 1 1 1 1 21 ALA N 210.2 A 123.23 3.54 0.0000e+00 5877 1 1 1 1 22 ILE N 164.3 A 121.46 4.28 1.3867e-23 5877 1 1 1 1 23 GLY N 180.4 A 109.67 3.87 1.2737e-74 5877 1 1 1 1 24 GLY N 213.1 A 109.67 3.87 0.0000e+00 5877 1 1 1 1 25 TYR N 190.9 A 120.52 4.2 5.0218e-63 5877 1 1 1 1 26 ILE N 166.9 A 121.46 4.28 2.4889e-26 5877 1 1 1 1 27 VAL N 191 A 121.14 4.54 1.9805e-53 5877 1 1 1 1 28 GLY N 204.4 A 109.67 3.87 0.0000e+00 5877 1 1 1 1 29 ALA N 181.8 A 123.23 3.54 1.7339e-61 5877 1 1 1 1 30 LEU N 176.9 A 121.86 3.9 3.1666e-45 5877 1 1 1 1 31 VAL N 205.2 A 121.14 4.54 1.5509e-76 5877 1 1 1 1 32 ILE N 219.4 A 121.46 4.28 0.0000e+00 5877 1 1 1 1 33 LEU N 174.3 A 121.86 3.9 3.2431e-41 5877 1 1 1 1 34 ALA N 192.1 A 123.23 3.54 2.6537e-84 5877 1 1 1 1 35 VAL N 215 A 121.14 4.54 0.0000e+00 5877 1 1 1 1 36 ALA N 208.7 A 123.23 3.54 0.0000e+00 5877 1 1 1 1 38 LEU N 212.6 A 121.86 3.9 0.0000e+00 5877 1 1 1 1 39 ILE N 219.9 A 121.46 4.28 0.0000e+00 5877 1 1 1 1 40 TYR N 188.8 A 120.52 4.2 1.9879e-59 5877 1 1 1 1 41 SER N 182.8 A 116.28 3.52 1.1907e-79 5877 1 1 1 1 42 MET N 221 A 120.09 3.57 0.0000e+00 5877 1 1 1 1 43 LEU N 203.6 A 121.86 3.9 0.0000e+00 5877 1 1 1 1 44 ARG N 143 A 120.8 3.68 1.6133e-09 5877 1 1 1 1 45 LYS N 142.6 A 121.05 3.77 1.0895e-08 5877 1 1 1 1 46 ALA N 201.1 A 123.23 3.54 0.0000e+00 5877 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5877 _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 5877 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 5877 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 5877 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5877 _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_