data_AVS_bmrb_pdb_report_26593 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 26593 _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 4 GLU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 26593 1 1 1 1 9 LEU Anomalous Consistent Suspicious Anomalous Consistent Consistent "H > HA" 0.9998 26593 1 1 1 1 22 PHE Anomalous Consistent Suspicious Anomalous Consistent Consistent "H > HA" 0.9993 26593 1 1 1 1 95 ASP Anomalous Consistent Consistent Consistent Consistent Anomalous . . 26593 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 4 GLU C 177.1 . 176.87 1.95 9.0611e-01 26593 1 1 1 1 4 GLU CA 65.23 A 57.32 2.09 1.5390e-04 26593 1 1 1 1 4 GLU CB 29.86 . 30.01 1.72 9.3051e-01 26593 1 1 1 1 4 GLU CG 36.02 . 36.11 1.19 9.3971e-01 26593 1 1 1 1 4 GLU H 8.438 . 8.33 0.59 8.5476e-01 26593 1 1 1 1 4 GLU HA 3.903 . 4.25 0.41 3.9736e-01 26593 1 1 1 1 4 GLU HB2 1.94 . 2.02 0.21 7.0324e-01 26593 1 1 1 1 4 GLU HB3 1.94 . 1.99 0.23 8.2790e-01 26593 1 1 1 1 4 GLU HG2 2.18 . 2.27 0.21 6.6823e-01 26593 1 1 1 1 4 GLU HG3 2.18 . 2.25 0.22 7.5035e-01 26593 1 1 1 1 4 GLU N 122.1 . 120.67 3.48 6.8113e-01 26593 1 1 1 1 9 LEU C 176.7 . 176.99 1.98 8.8355e-01 26593 1 1 1 1 9 LEU CA 55.56 . 55.62 2.13 9.7753e-01 26593 1 1 1 1 9 LEU CB 44.43 . 42.31 1.88 2.5946e-01 26593 1 1 1 1 9 LEU CG 27.63 . 26.78 1.1 4.3968e-01 26593 1 1 1 1 9 LEU CD1 26.27 . 24.72 1.59 3.2964e-01 26593 1 1 1 1 9 LEU CD2 24.68 . 24.05 1.7 7.1094e-01 26593 1 1 1 1 9 LEU H 6.395 . 8.23 0.65 4.7565e-03 26593 1 1 1 1 9 LEU HA 6.42 A 4.32 0.47 7.8923e-06 26593 1 1 1 1 9 LEU HB2 1.723 . 1.61 0.34 7.3962e-01 26593 1 1 1 1 9 LEU HB3 1.723 . 1.52 0.36 5.7283e-01 26593 1 1 1 1 9 LEU N 116.9 . 121.86 3.9 2.0345e-01 26593 1 1 1 1 22 PHE C 173.7 . 175.42 1.99 3.8741e-01 26593 1 1 1 1 22 PHE CA 57.11 . 58.08 2.57 7.0585e-01 26593 1 1 1 1 22 PHE CB 42.18 . 39.99 2.09 2.9471e-01 26593 1 1 1 1 22 PHE H 9.245 . 8.36 0.72 2.1901e-01 26593 1 1 1 1 22 PHE HA 57.11 A 4.63 0.57 0.0000e+00 26593 1 1 1 1 22 PHE HB2 2.93 . 3 0.37 8.4994e-01 26593 1 1 1 1 22 PHE HB3 3.22 . 2.93 0.4 4.6845e-01 26593 1 1 1 1 22 PHE N 127.3 . 120.45 4.18 1.0126e-01 26593 1 1 1 1 95 ASP C 176.6 . 176.4 1.75 9.0901e-01 26593 1 1 1 1 95 ASP CA 54.58 . 54.69 2.03 9.5679e-01 26593 1 1 1 1 95 ASP CB 41.27 . 40.88 1.62 8.0976e-01 26593 1 1 1 1 95 ASP H 8.363 . 8.31 0.58 9.2719e-01 26593 1 1 1 1 95 ASP HA 4.559 . 4.59 0.32 9.2283e-01 26593 1 1 1 1 95 ASP HB2 2.685 . 2.72 0.26 8.9292e-01 26593 1 1 1 1 95 ASP HB3 2.865 . 2.66 0.28 4.6408e-01 26593 1 1 1 1 95 ASP N 8.363 A 120.65 3.86 0.0000e+00 26593 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.PRTL_comp_type _AVS_analysis.PRTL_probability_score _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 4 GLU ILE 0.6 26593 1 1 1 1 4 GLU CYS 0.38 26593 1 1 1 1 9 LEU LEU 0.36 26593 1 1 1 1 9 LEU CYS 0.26 26593 1 1 1 1 9 LEU GLY 0.25 26593 1 1 1 1 9 LEU ARG 0.11 26593 1 1 1 1 22 PHE LYS 0.24 26593 1 1 1 1 22 PHE LEU 0.2 26593 1 1 1 1 22 PHE PHE 0.13 26593 1 1 1 1 22 PHE ARG 0.13 26593 1 1 1 1 22 PHE TYR 0.09 26593 1 1 1 1 22 PHE ASP 0.09 26593 1 1 1 1 22 PHE CYS 0.06 26593 1 1 1 1 22 PHE ILE 0.01 26593 1 1 1 1 95 ASP ASP 0.29 26593 1 1 1 1 95 ASP LEU 0.23 26593 1 1 1 1 95 ASP LYS 0.12 26593 1 1 1 1 95 ASP PHE 0.1 26593 1 1 1 1 95 ASP ASN 0.08 26593 1 1 1 1 95 ASP TYR 0.07 26593 1 1 1 1 95 ASP CYS 0.05 26593 1 1 1 1 95 ASP ARG 0.01 26593 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 26593 _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 26593 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 26593 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 26593 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 26593 _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_