data_AVS_bmrb_pdb_report_16033 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16033 _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 PRO Anomalous Consistent Consistent Consistent Anomalous Indeterminable . . 16033 1 1 1 1 10 THR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16033 1 1 1 1 12 MET Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16033 1 1 1 1 15 THR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16033 1 1 1 1 77 THR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16033 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 PRO C 172.227 . 176.7 1.69 8.1270e-03 16033 1 1 1 1 4 PRO CA 68.211 A 63.3 1.64 2.7488e-03 16033 1 1 1 1 4 PRO CB 33.796 . 31.81 1.54 1.9719e-01 16033 1 1 1 1 4 PRO CG 29.782 . 27.14 1.18 2.5157e-02 16033 1 1 1 1 4 PRO CD 52.090 . 50.28 1.04 8.1792e-02 16033 1 1 1 1 4 PRO HA 4.161 . 4.41 0.36 4.8915e-01 16033 1 1 1 1 4 PRO HB2 2.346 . 2.05 0.39 4.4787e-01 16033 1 1 1 1 4 PRO HB3 1.854 . 2.05 0.39 6.1527e-01 16033 1 1 1 1 4 PRO HG2 2.179 . 1.93 0.36 4.8915e-01 16033 1 1 1 1 4 PRO HG3 1.935 . 1.92 0.37 9.6766e-01 16033 1 1 1 1 4 PRO HD2 3.817 . 3.64 0.36 6.2295e-01 16033 1 1 1 1 4 PRO HD3 4.036 . 3.63 0.4 3.1011e-01 16033 1 1 1 1 10 THR C 175.127 . 174.6 1.8 7.6969e-01 16033 1 1 1 1 10 THR CA 69.282 A 62.15 2.72 8.7400e-03 16033 1 1 1 1 10 THR CB 70.132 . 69.64 1.7 7.7227e-01 16033 1 1 1 1 10 THR CG2 24.049 . 21.44 1.39 6.0521e-02 16033 1 1 1 1 10 THR H 8.686 . 8.27 0.62 5.0224e-01 16033 1 1 1 1 10 THR HA 3.798 . 4.48 0.5 1.7257e-01 16033 1 1 1 1 10 THR HB 4.326 . 4.17 0.37 6.7330e-01 16033 1 1 1 1 10 THR HG21 1.173 . 1.16 0.28 9.6297e-01 16033 1 1 1 1 10 THR HG22 1.173 . 1.16 0.28 9.6297e-01 16033 1 1 1 1 10 THR HG23 1.173 . 1.16 0.28 9.6297e-01 16033 1 1 1 1 10 THR N 117.087 . 115.7 5.05 7.8358e-01 16033 1 1 1 1 12 MET C 175.127 . 176.3 2.13 5.8184e-01 16033 1 1 1 1 12 MET CA 62.750 A 56.16 2.34 4.8589e-03 16033 1 1 1 1 12 MET CB 34.952 . 32.9 2.23 3.5748e-01 16033 1 1 1 1 12 MET CG 34.397 . 32.07 1.45 1.0853e-01 16033 1 1 1 1 12 MET CE 18.031 . 17.21 3.42 8.1028e-01 16033 1 1 1 1 12 MET H 8.390 . 8.26 0.6 8.2847e-01 16033 1 1 1 1 12 MET HA 3.956 . 4.39 0.46 3.4544e-01 16033 1 1 1 1 12 MET HB2 2.698 . 2.03 0.38 7.8766e-02 16033 1 1 1 1 12 MET HB3 2.598 . 2.01 0.36 1.0240e-01 16033 1 1 1 1 12 MET HG2 2.319 . 2.44 0.36 7.3679e-01 16033 1 1 1 1 12 MET HG3 2.274 . 2.41 0.4 7.3386e-01 16033 1 1 1 1 12 MET HE1 1.809 . 1.86 0.47 9.1359e-01 16033 1 1 1 1 12 MET HE2 1.809 . 1.86 0.47 9.1359e-01 16033 1 1 1 1 12 MET HE3 1.809 . 1.86 0.47 9.1359e-01 16033 1 1 1 1 12 MET N 124.388 . 120.1 3.88 2.6909e-01 16033 1 1 1 1 15 THR C 178.127 . 174.6 1.8 5.0061e-02 16033 1 1 1 1 15 THR CA 69.609 A 62.15 2.72 6.1014e-03 16033 1 1 1 1 15 THR CB 70.511 . 69.64 1.7 6.0840e-01 16033 1 1 1 1 15 THR CG2 23.341 . 21.44 1.39 1.7143e-01 16033 1 1 1 1 15 THR H 8.453 . 8.27 0.62 7.6787e-01 16033 1 1 1 1 15 THR HA 3.859 . 4.48 0.5 2.1424e-01 16033 1 1 1 1 15 THR HB 4.198 . 4.17 0.37 9.3968e-01 16033 1 1 1 1 15 THR HG1 5.062 . 4.4 1.92 7.3025e-01 16033 1 1 1 1 15 THR HG21 1.328 . 1.16 0.28 5.4851e-01 16033 1 1 1 1 15 THR HG22 1.328 . 1.16 0.28 5.4851e-01 16033 1 1 1 1 15 THR HG23 1.328 . 1.16 0.28 5.4851e-01 16033 1 1 1 1 15 THR N 118.791 . 115.7 5.05 5.4049e-01 16033 1 1 1 1 77 THR C 176.427 . 174.6 1.8 3.1011e-01 16033 1 1 1 1 77 THR CA 69.876 A 62.15 2.72 4.5051e-03 16033 1 1 1 1 77 THR CB 71.163 . 69.64 1.7 3.7032e-01 16033 1 1 1 1 77 THR CG2 23.181 . 21.44 1.39 2.1038e-01 16033 1 1 1 1 77 THR H 8.005 . 8.27 0.62 6.6907e-01 16033 1 1 1 1 77 THR HA 3.561 . 4.48 0.5 6.6063e-02 16033 1 1 1 1 77 THR HB 4.186 . 4.17 0.37 9.6551e-01 16033 1 1 1 1 77 THR HG1 4.896 . 4.4 1.92 7.9615e-01 16033 1 1 1 1 77 THR HG21 1.034 . 1.16 0.28 6.5271e-01 16033 1 1 1 1 77 THR HG22 1.034 . 1.16 0.28 6.5271e-01 16033 1 1 1 1 77 THR HG23 1.034 . 1.16 0.28 6.5271e-01 16033 1 1 1 1 77 THR N 116.415 . 115.7 5.05 8.8741e-01 16033 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 PRO CYS 0.99 16033 1 1 1 1 10 THR THR 0.95 16033 1 1 1 1 10 THR CYS 0.04 16033 1 1 1 1 12 MET CYS 0.87 16033 1 1 1 1 12 MET MET 0.06 16033 1 1 1 1 12 MET ILE 0.05 16033 1 1 1 1 15 THR THR 0.97 16033 1 1 1 1 15 THR CYS 0.02 16033 1 1 1 1 77 THR THR 0.97 16033 1 1 1 1 77 THR CYS 0.02 16033 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16033 _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 16033 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16033 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16033 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16033 _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_