data_AVS_bmrb_pdb_report_17377 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17377 _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 1 GLU Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 17377 1 1 1 1 2 GLU Anomalous Indeterminable Suspicious Anomalous Indeterminable Anomalous "H > HA" 1.0000 17377 1 1 1 1 2 GLU . . . . . . "H > HB2" 1.0000 17377 1 1 1 1 2 GLU . . . . . . "H > HB3" 1.0000 17377 1 1 1 1 2 GLU . . . . . . "H > HG2" 1.0000 17377 1 1 1 1 2 GLU . . . . . . "H > HG3" 1.0000 17377 1 1 1 1 3 LEU Anomalous Indeterminable Consistent Consistent Indeterminable Anomalous . . 17377 1 1 1 1 5 TRP Anomalous Indeterminable Consistent Consistent Indeterminable Anomalous . . 17377 1 1 1 1 6 ASP Anomalous Indeterminable Consistent Consistent Indeterminable Anomalous . . 17377 1 1 1 1 7 GLU Anomalous Indeterminable Consistent Consistent Indeterminable Anomalous . . 17377 1 1 1 1 8 LEU Anomalous Indeterminable Consistent Consistent Indeterminable Anomalous . . 17377 1 1 1 1 9 ASP Anomalous Indeterminable Consistent Consistent Indeterminable Anomalous . . 17377 1 1 1 1 10 LEU Anomalous Indeterminable Consistent Consistent Indeterminable Anomalous . . 17377 1 1 1 1 11 GLY Anomalous Indeterminable Consistent Consistent Indeterminable Anomalous . . 17377 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 1 GLU H 0.0000 A 8.34 0.61 1.4897e-42 17377 1 1 1 1 1 GLU N 0.0000 A 120.68 3.68 0.0000e+00 17377 1 1 1 1 2 GLU H 0.0000 A 8.34 0.61 1.4897e-42 17377 1 1 1 1 2 GLU HA 4.3630 . 4.26 0.43 8.1069e-01 17377 1 1 1 1 2 GLU HB2 1.8860 . 2.04 0.22 4.8393e-01 17377 1 1 1 1 2 GLU HB3 2.0190 . 2.04 0.23 9.2725e-01 17377 1 1 1 1 2 GLU HG2 2.4340 . 2.31 0.21 5.5487e-01 17377 1 1 1 1 2 GLU HG3 2.2200 . 2.31 0.21 6.6823e-01 17377 1 1 1 1 2 GLU N 0.0000 A 120.68 3.68 0.0000e+00 17377 1 1 1 1 3 LEU H 8.4390 . 8.22 0.65 7.3617e-01 17377 1 1 1 1 3 LEU HA 4.5420 . 4.32 0.47 6.3668e-01 17377 1 1 1 1 3 LEU HB2 1.4900 . 1.63 0.34 6.8051e-01 17377 1 1 1 1 3 LEU HB3 1.2710 . 1.57 0.36 4.0623e-01 17377 1 1 1 1 3 LEU HG 1.6060 . 1.54 0.33 8.4148e-01 17377 1 1 1 1 3 LEU HD11 0.8360 . 0.77 0.27 8.0689e-01 17377 1 1 1 1 3 LEU HD12 0.8360 . 0.77 0.27 8.0689e-01 17377 1 1 1 1 3 LEU HD13 0.8360 . 0.77 0.27 8.0689e-01 17377 1 1 1 1 3 LEU HD21 0.8880 . 0.76 0.28 6.4757e-01 17377 1 1 1 1 3 LEU HD22 0.8880 . 0.76 0.28 6.4757e-01 17377 1 1 1 1 3 LEU HD23 0.8880 . 0.76 0.28 6.4757e-01 17377 1 1 1 1 3 LEU N 0.0000 A 121.98 4.07 0.0000e+00 17377 1 1 1 1 5 TRP H 7.9310 . 8.35 0.84 6.1791e-01 17377 1 1 1 1 5 TRP HA 4.5900 . 4.74 0.55 7.8506e-01 17377 1 1 1 1 5 TRP HB2 3.2680 . 3.22 0.36 8.9393e-01 17377 1 1 1 1 5 TRP HB3 3.2680 . 3.18 0.36 8.0689e-01 17377 1 1 1 1 5 TRP HD1 7.2270 . 7.16 0.34 8.4378e-01 17377 1 1 1 1 5 TRP HE1 10.1300 . 10.13 0.53 1.0000e+00 17377 1 1 1 1 5 TRP HE3 7.6010 . 7.17 1.03 6.7562e-01 17377 1 1 1 1 5 TRP HZ2 7.4340 . 7.14 0.89 7.4115e-01 17377 1 1 1 1 5 TRP HZ3 7.1100 . 6.68 1.02 6.7334e-01 17377 1 1 1 1 5 TRP HH2 7.1740 . 6.82 0.94 7.0647e-01 17377 1 1 1 1 5 TRP N 0.0000 A 121.87 4.58 0.0000e+00 17377 1 1 1 1 6 ASP H 8.0590 . 8.33 0.57 6.3447e-01 17377 1 1 1 1 6 ASP HA 4.4410 . 4.61 0.31 5.8564e-01 17377 1 1 1 1 6 ASP HB2 2.4370 . 2.74 0.29 2.9610e-01 17377 1 1 1 1 6 ASP HB3 2.4370 . 2.7 0.29 3.6446e-01 17377 1 1 1 1 6 ASP N 0.0000 A 120.73 4.2 0.0000e+00 17377 1 1 1 1 7 GLU H 7.9970 . 8.34 0.61 5.7391e-01 17377 1 1 1 1 7 GLU HA 4.1070 . 4.26 0.43 7.2198e-01 17377 1 1 1 1 7 GLU HB2 1.8340 . 2.04 0.22 3.4909e-01 17377 1 1 1 1 7 GLU HB3 2.0200 . 2.04 0.23 9.3071e-01 17377 1 1 1 1 7 GLU HG2 2.1680 . 2.31 0.21 4.9892e-01 17377 1 1 1 1 7 GLU HG3 2.1680 . 2.31 0.21 4.9892e-01 17377 1 1 1 1 7 GLU N 0.0000 A 120.68 3.68 0.0000e+00 17377 1 1 1 1 8 LEU H 8.0110 . 8.22 0.65 7.4780e-01 17377 1 1 1 1 8 LEU HA 4.2370 . 4.32 0.47 8.5983e-01 17377 1 1 1 1 8 LEU HB2 1.6080 . 1.63 0.34 9.4841e-01 17377 1 1 1 1 8 LEU HB3 1.5550 . 1.57 0.36 9.6676e-01 17377 1 1 1 1 8 LEU HG 1.5020 . 1.54 0.33 9.0833e-01 17377 1 1 1 1 8 LEU HD11 0.8297 . 0.77 0.27 8.2501e-01 17377 1 1 1 1 8 LEU HD12 0.8297 . 0.77 0.27 8.2501e-01 17377 1 1 1 1 8 LEU HD13 0.8297 . 0.77 0.27 8.2501e-01 17377 1 1 1 1 8 LEU HD21 0.8770 . 0.76 0.28 6.7605e-01 17377 1 1 1 1 8 LEU HD22 0.8770 . 0.76 0.28 6.7605e-01 17377 1 1 1 1 8 LEU HD23 0.8770 . 0.76 0.28 6.7605e-01 17377 1 1 1 1 8 LEU N 0.0000 A 121.98 4.07 0.0000e+00 17377 1 1 1 1 9 ASP H 8.2130 . 8.33 0.57 8.3737e-01 17377 1 1 1 1 9 ASP HA 4.5810 . 4.61 0.31 9.2547e-01 17377 1 1 1 1 9 ASP HB2 2.7260 . 2.74 0.29 9.6150e-01 17377 1 1 1 1 9 ASP HB3 2.5430 . 2.7 0.29 5.8825e-01 17377 1 1 1 1 9 ASP N 0.0000 A 120.73 4.2 0.0000e+00 17377 1 1 1 1 10 LEU H 8.1800 . 8.22 0.65 9.5093e-01 17377 1 1 1 1 10 LEU HA 4.2760 . 4.32 0.47 9.2541e-01 17377 1 1 1 1 10 LEU HB2 1.6280 . 1.63 0.34 9.9531e-01 17377 1 1 1 1 10 LEU HB3 1.6060 . 1.57 0.36 9.2034e-01 17377 1 1 1 1 10 LEU HG 1.6230 . 1.54 0.33 8.0142e-01 17377 1 1 1 1 10 LEU HD11 0.8200 . 0.77 0.27 8.5308e-01 17377 1 1 1 1 10 LEU HD12 0.8200 . 0.77 0.27 8.5308e-01 17377 1 1 1 1 10 LEU HD13 0.8200 . 0.77 0.27 8.5308e-01 17377 1 1 1 1 10 LEU HD21 0.8940 . 0.76 0.28 6.3224e-01 17377 1 1 1 1 10 LEU HD22 0.8940 . 0.76 0.28 6.3224e-01 17377 1 1 1 1 10 LEU HD23 0.8940 . 0.76 0.28 6.3224e-01 17377 1 1 1 1 10 LEU N 0.0000 A 121.98 4.07 0.0000e+00 17377 1 1 1 1 11 GLY H 8.4240 . 8.34 0.74 9.0962e-01 17377 1 1 1 1 11 GLY HA2 3.8530 . 3.95 0.4 8.0839e-01 17377 1 1 1 1 11 GLY HA3 3.9220 . 3.93 0.4 9.8404e-01 17377 1 1 1 1 11 GLY N 0.0000 A 109.91 4.29 0.0000e+00 17377 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17377 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 1.4 _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 17377 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17377 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17377 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17377 _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_