data_AVS_bmrb_pdb_report_18132 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18132 _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 48 ILE Anomalous Indeterminable Consistent Suspicious Anomalous Anomalous . . 18132 1 1 1 1 49 GLN Anomalous Indeterminable Consistent Anomalous Anomalous Anomalous . . 18132 1 1 1 1 50 ASN Anomalous Indeterminable Consistent Anomalous Anomalous Anomalous . . 18132 1 1 1 1 51 LYS Anomalous Indeterminable Consistent Anomalous Anomalous Anomalous . . 18132 1 1 1 1 52 GLU Anomalous Indeterminable Consistent Anomalous Anomalous Anomalous . . 18132 1 1 1 1 53 LYS Anomalous Indeterminable Consistent Anomalous Anomalous Anomalous . . 18132 1 1 1 1 54 LEU Anomalous Indeterminable Consistent Anomalous Anomalous Anomalous . . 18132 1 1 1 1 55 PRO Anomalous Indeterminable Consistent Indeterminable Anomalous Indeterminable . . 18132 1 1 1 1 56 ASN Anomalous Indeterminable Consistent Anomalous Anomalous Anomalous . . 18132 1 1 1 1 57 GLU Anomalous Indeterminable Consistent Anomalous Anomalous Anomalous . . 18132 1 1 1 1 58 LEU Anomalous Indeterminable Consistent Anomalous Anomalous Anomalous . . 18132 1 1 1 1 59 LYS Anomalous Indeterminable Consistent Anomalous Anomalous Anomalous . . 18132 1 1 1 1 60 PRO Anomalous Indeterminable Consistent Indeterminable Anomalous Indeterminable . . 18132 1 1 1 1 61 LYS Anomalous Indeterminable Consistent Anomalous Anomalous Anomalous . . 18132 1 1 1 1 62 ILE Anomalous Indeterminable Consistent Anomalous Anomalous Anomalous . . 18132 1 1 1 1 63 ASP Anomalous Indeterminable Consistent Anomalous Anomalous Anomalous . . 18132 1 1 1 1 64 GLU Anomalous Indeterminable Consistent Anomalous Anomalous Anomalous . . 18132 1 1 1 1 65 ILE Anomalous Indeterminable Consistent Anomalous Anomalous Anomalous . . 18132 1 1 1 1 66 SER Anomalous Indeterminable Consistent Anomalous Anomalous Anomalous . . 18132 1 1 1 1 67 LYS Anomalous Indeterminable Consistent Anomalous Anomalous Anomalous . . 18132 1 1 1 1 68 ARG Anomalous Indeterminable Consistent Anomalous Anomalous Anomalous . . 18132 1 1 1 1 69 PHE Anomalous Indeterminable Consistent Anomalous Anomalous Anomalous . . 18132 1 1 1 1 70 PHE Anomalous Indeterminable Consistent Anomalous Anomalous Anomalous . . 18132 1 1 1 1 71 PRO Anomalous Indeterminable Consistent Indeterminable Anomalous Indeterminable . . 18132 1 1 1 1 72 ALA Anomalous Indeterminable Consistent Anomalous Anomalous Anomalous . . 18132 1 1 1 1 73 LYS Anomalous Indeterminable Consistent Anomalous Anomalous Anomalous . . 18132 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 48 ILE C 0.119 A 175.85 1.92 0.0000e+00 18132 1 1 1 1 48 ILE H 4.066 S 8.28 0.68 5.7528e-10 18132 1 1 1 1 48 ILE HA 3.353 . 4.18 0.56 1.3973e-01 18132 1 1 1 1 48 ILE HB 1.827 . 1.78 0.29 8.7125e-01 18132 1 1 1 1 48 ILE HG12 0.936 . 1.28 0.4 3.8979e-01 18132 1 1 1 1 48 ILE HD11 0.771 . 0.68 0.29 7.5368e-01 18132 1 1 1 1 48 ILE HD12 0.771 . 0.68 0.29 7.5368e-01 18132 1 1 1 1 48 ILE HD13 0.771 . 0.68 0.29 7.5368e-01 18132 1 1 1 1 48 ILE N 0.099 A 121.46 4.28 0.0000e+00 18132 1 1 1 1 49 GLN C 0.069 A 176.31 1.95 0.0000e+00 18132 1 1 1 1 49 GLN H 0.006 A 8.22 0.59 4.6547e-44 18132 1 1 1 1 49 GLN N 0.079 A 119.89 3.6 0.0000e+00 18132 1 1 1 1 50 ASN C 0.123 A 175.27 1.79 0.0000e+00 18132 1 1 1 1 50 ASN H 0.008 A 8.34 0.63 6.2606e-40 18132 1 1 1 1 50 ASN N 0.041 A 118.93 4.03 0.0000e+00 18132 1 1 1 1 51 LYS C 0.196 A 176.64 2 0.0000e+00 18132 1 1 1 1 51 LYS H 0.008 A 8.19 0.6 2.4239e-42 18132 1 1 1 1 51 LYS N 0.055 A 121.05 3.77 0.0000e+00 18132 1 1 1 1 52 GLU C 0.089 A 176.87 1.95 0.0000e+00 18132 1 1 1 1 52 GLU H 0.056 A 8.33 0.59 1.1159e-44 18132 1 1 1 1 52 GLU N 0.152 A 120.67 3.48 0.0000e+00 18132 1 1 1 1 53 LYS C 0.188 A 176.64 2 0.0000e+00 18132 1 1 1 1 53 LYS H 0.120 A 8.19 0.6 3.0787e-41 18132 1 1 1 1 53 LYS N 0.054 A 121.05 3.77 0.0000e+00 18132 1 1 1 1 54 LEU C 0.078 A 176.99 1.98 0.0000e+00 18132 1 1 1 1 54 LEU H 0.010 A 8.23 0.65 1.1749e-36 18132 1 1 1 1 54 LEU N 0.044 A 121.86 3.9 0.0000e+00 18132 1 1 1 1 55 PRO C 0.092 A 176.75 1.51 0.0000e+00 18132 1 1 1 1 56 ASN C 0.114 A 175.27 1.79 0.0000e+00 18132 1 1 1 1 56 ASN H 0.008 A 8.34 0.63 6.2606e-40 18132 1 1 1 1 56 ASN N 0.121 A 118.93 4.03 0.0000e+00 18132 1 1 1 1 57 GLU C 0.088 A 176.87 1.95 0.0000e+00 18132 1 1 1 1 57 GLU H 0.009 A 8.33 0.59 3.6196e-45 18132 1 1 1 1 57 GLU N 0.044 A 120.67 3.48 0.0000e+00 18132 1 1 1 1 58 LEU C 0.071 A 176.99 1.98 0.0000e+00 18132 1 1 1 1 58 LEU H 0.006 A 8.23 0.65 1.0864e-36 18132 1 1 1 1 58 LEU N 0.047 A 121.86 3.9 0.0000e+00 18132 1 1 1 1 59 LYS C 0.224 A 176.64 2 0.0000e+00 18132 1 1 1 1 59 LYS H 0.007 A 8.19 0.6 2.3691e-42 18132 1 1 1 1 59 LYS N 0.053 A 121.05 3.77 0.0000e+00 18132 1 1 1 1 60 PRO C 0.047 A 176.75 1.51 0.0000e+00 18132 1 1 1 1 61 LYS C 0.112 A 176.64 2 0.0000e+00 18132 1 1 1 1 61 LYS H 0.006 A 8.19 0.6 2.3156e-42 18132 1 1 1 1 61 LYS N 0.065 A 121.05 3.77 0.0000e+00 18132 1 1 1 1 62 ILE C 0.087 A 175.85 1.92 0.0000e+00 18132 1 1 1 1 62 ILE H 0.008 A 8.28 0.68 4.7917e-34 18132 1 1 1 1 62 ILE N 0.053 A 121.46 4.28 0.0000e+00 18132 1 1 1 1 63 ASP C 0.106 A 176.4 1.75 0.0000e+00 18132 1 1 1 1 63 ASP H 0.010 A 8.31 0.58 1.8858e-46 18132 1 1 1 1 63 ASP N 0.061 A 120.65 3.86 0.0000e+00 18132 1 1 1 1 64 GLU C 0.074 A 176.87 1.95 0.0000e+00 18132 1 1 1 1 64 GLU H 0.008 A 8.33 0.59 3.5336e-45 18132 1 1 1 1 64 GLU N 0.072 A 120.67 3.48 0.0000e+00 18132 1 1 1 1 65 ILE C 0.102 A 175.85 1.92 0.0000e+00 18132 1 1 1 1 65 ILE H 0.010 A 8.28 0.68 4.9674e-34 18132 1 1 1 1 65 ILE N 0.102 A 121.46 4.28 0.0000e+00 18132 1 1 1 1 66 SER C 0.253 A 174.62 1.72 0.0000e+00 18132 1 1 1 1 66 SER H 0.011 A 8.28 0.59 1.2575e-44 18132 1 1 1 1 66 SER N 0.031 A 116.28 3.52 0.0000e+00 18132 1 1 1 1 67 LYS C 0.256 A 176.64 2 0.0000e+00 18132 1 1 1 1 67 LYS H 0.002 A 8.19 0.6 2.1133e-42 18132 1 1 1 1 67 LYS N 0.057 A 121.05 3.77 0.0000e+00 18132 1 1 1 1 68 ARG C 0.174 A 176.41 2.03 0.0000e+00 18132 1 1 1 1 68 ARG H 0.011 A 8.24 0.61 1.7870e-41 18132 1 1 1 1 68 ARG N 0.125 A 120.8 3.68 0.0000e+00 18132 1 1 1 1 69 PHE C 0.124 A 175.42 1.99 0.0000e+00 18132 1 1 1 1 69 PHE H 0.009 A 8.36 0.72 4.1882e-31 18132 1 1 1 1 69 PHE N 0.067 A 120.45 4.18 0.0000e+00 18132 1 1 1 1 70 PHE C 0.088 A 175.42 1.99 0.0000e+00 18132 1 1 1 1 70 PHE H 0.009 A 8.36 0.72 4.1882e-31 18132 1 1 1 1 70 PHE N 0.115 A 120.45 4.18 0.0000e+00 18132 1 1 1 1 71 PRO C 0.178 A 176.75 1.51 0.0000e+00 18132 1 1 1 1 72 ALA C 0.037 A 177.74 2.13 0.0000e+00 18132 1 1 1 1 72 ALA H 0.004 A 8.2 0.6 1.7598e-42 18132 1 1 1 1 72 ALA N 0.049 A 123.23 3.54 0.0000e+00 18132 1 1 1 1 73 LYS C 0.300 A 176.64 2 0.0000e+00 18132 1 1 1 1 73 LYS H 0.006 A 8.19 0.6 2.3156e-42 18132 1 1 1 1 73 LYS N 0.041 A 121.05 3.77 0.0000e+00 18132 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18132 _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 18132 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18132 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18132 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18132 _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_