data_AVS_bmrb_pdb_report_6074 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6074 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 6074 1 1 1 1 73 ASP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6074 1 1 1 1 178 GLU Anomalous Consistent Consistent Anomalous Consistent Anomalous . . 6074 1 1 1 1 217 GLU Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 6074 1 1 1 1 228 THR Anomalous Consistent Consistent Consistent Anomalous Consistent . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 6074 1 1 1 1 73 ASP CA 60.531 M 54.52 2.1 4.2047e-03 6074 1 1 1 1 73 ASP CB 40.638 . 40.7 1.67 9.7038e-01 6074 1 1 1 1 73 ASP H 6.857 . 8.33 0.57 9.7602e-03 6074 1 1 1 1 73 ASP N 108.831 . 120.73 4.2 4.6100e-03 6074 1 1 1 1 178 GLU C 173.985 . 176.93 2.11 1.6279e-01 6074 1 1 1 1 178 GLU CA 58.867 . 57.42 2.19 5.0879e-01 6074 1 1 1 1 178 GLU CB 28.142 . 30.07 1.84 2.9472e-01 6074 1 1 1 1 178 GLU H 4.308 M 8.34 0.61 3.8475e-11 6074 1 1 1 1 178 GLU N 104.543 M 120.68 3.68 1.1596e-05 6074 1 1 1 1 217 GLU C 175.796 . 176.93 2.11 5.9096e-01 6074 1 1 1 1 217 GLU CA 60.202 . 57.42 2.19 2.0397e-01 6074 1 1 1 1 217 GLU CB 26.637 . 30.07 1.84 6.2075e-02 6074 1 1 1 1 217 GLU H 5.037 S 8.34 0.61 6.1373e-08 6074 1 1 1 1 217 GLU N 105.288 M 120.68 3.68 2.8818e-05 6074 1 1 1 1 228 THR C 176.221 . 174.6 1.8 3.6782e-01 6074 1 1 1 1 228 THR CA 69.76 M 62.15 2.72 5.1453e-03 6074 1 1 1 1 228 THR CB 68.571 . 69.64 1.7 5.2946e-01 6074 1 1 1 1 228 THR H 10.304 . 8.27 0.62 1.0357e-03 6074 1 1 1 1 228 THR N 123.41 . 115.7 5.05 1.2683e-01 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 6074 1 1 1 1 73 ASP PHE 0.27 6074 1 1 1 1 73 ASP ILE 0.23 6074 1 1 1 1 73 ASP TYR 0.21 6074 1 1 1 1 73 ASP CYS 0.17 6074 1 1 1 1 73 ASP LYS 0.05 6074 1 1 1 1 73 ASP LEU 0.02 6074 1 1 1 1 73 ASP ARG 0.01 6074 1 1 1 1 178 GLU ARG 0.13 6074 1 1 1 1 178 GLU CYS 0.13 6074 1 1 1 1 178 GLU ILE 0.12 6074 1 1 1 1 178 GLU LYS 0.12 6074 1 1 1 1 178 GLU TRP 0.12 6074 1 1 1 1 178 GLU GLN 0.11 6074 1 1 1 1 178 GLU GLU 0.09 6074 1 1 1 1 178 GLU HIS 0.08 6074 1 1 1 1 178 GLU LEU 0.03 6074 1 1 1 1 178 GLU MET 0.01 6074 1 1 1 1 217 GLU ILE 0.32 6074 1 1 1 1 217 GLU CYS 0.15 6074 1 1 1 1 217 GLU ARG 0.15 6074 1 1 1 1 217 GLU TRP 0.07 6074 1 1 1 1 217 GLU PRO 0.06 6074 1 1 1 1 217 GLU LYS 0.05 6074 1 1 1 1 217 GLU GLN 0.04 6074 1 1 1 1 217 GLU LEU 0.04 6074 1 1 1 1 217 GLU HIS 0.03 6074 1 1 1 1 217 GLU GLU 0.03 6074 1 1 1 1 228 THR THR 0.99 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6074 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 6074 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 6074 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6074 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6074 _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_