data_AVS_bmrb_pdb_report_16441 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16441 _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 35 GLU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16441 1 1 1 1 47 THR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16441 1 1 1 2 1 ATP UNSUPPORTED . . . . . . . 16441 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 35 GLU C 178.646 . 176.93 2.11 4.1606e-01 16441 1 1 1 1 35 GLU CA 56.902 . 57.42 2.19 8.1302e-01 16441 1 1 1 1 35 GLU CB 27.458 . 30.07 1.84 1.5573e-01 16441 1 1 1 1 35 GLU H 7.780 . 8.34 0.61 3.5860e-01 16441 1 1 1 1 35 GLU HA 4.287 . 4.26 0.43 9.4993e-01 16441 1 1 1 1 35 GLU HB2 1.695 . 2.04 0.22 1.1684e-01 16441 1 1 1 1 35 GLU HB3 1.695 . 2.04 0.23 1.3361e-01 16441 1 1 1 1 35 GLU N 109.790 A 120.68 3.68 3.0840e-03 16441 1 1 1 1 47 THR C 175.824 . 174.6 1.8 4.9650e-01 16441 1 1 1 1 47 THR CA 69.300 A 62.15 2.72 8.5718e-03 16441 1 1 1 1 47 THR CB 68.171 . 69.64 1.7 3.8752e-01 16441 1 1 1 1 47 THR CG2 21.927 . 21.44 1.39 7.2607e-01 16441 1 1 1 1 47 THR H 8.575 . 8.27 0.62 6.2276e-01 16441 1 1 1 1 47 THR HA 3.515 . 4.48 0.5 5.3607e-02 16441 1 1 1 1 47 THR HB 4.117 . 4.17 0.37 8.8610e-01 16441 1 1 1 1 47 THR HG21 1.093 . 1.16 0.28 8.1088e-01 16441 1 1 1 1 47 THR HG22 1.093 . 1.16 0.28 8.1088e-01 16441 1 1 1 1 47 THR HG23 1.093 . 1.16 0.28 8.1088e-01 16441 1 1 1 1 47 THR N 119.164 . 115.7 5.05 4.9275e-01 16441 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 35 GLU ARG 0.18 16441 1 1 1 1 35 GLU LEU 0.13 16441 1 1 1 1 35 GLU GLN 0.13 16441 1 1 1 1 35 GLU LYS 0.12 16441 1 1 1 1 35 GLU CYS 0.11 16441 1 1 1 1 35 GLU HIS 0.09 16441 1 1 1 1 35 GLU TRP 0.08 16441 1 1 1 1 35 GLU GLU 0.06 16441 1 1 1 1 35 GLU ILE 0.04 16441 1 1 1 1 47 THR THR 0.97 16441 1 1 1 1 47 THR CYS 0.02 16441 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16441 _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 16441 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16441 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16441 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16441 _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_