data_AVS_bmrb_pdb_report_16237 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16237 _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 11 SER Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16237 1 1 1 1 168 LEU Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16237 1 1 1 1 225 THR Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16237 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 11 SER C 170.2 . 174.53 1.73 1.2318e-02 16237 1 1 1 1 11 SER CA 62.84 . 58.57 2.12 4.3994e-02 16237 1 1 1 1 11 SER CB 54.64 A 63.8 1.57 5.3986e-09 16237 1 1 1 1 11 SER H 9.334 . 8.29 0.62 9.2207e-02 16237 1 1 1 1 11 SER HA 5.311 . 4.51 0.43 6.2492e-02 16237 1 1 1 1 11 SER HB2 3.655 . 3.88 0.29 4.3783e-01 16237 1 1 1 1 11 SER HB3 3.655 . 3.87 0.31 4.8797e-01 16237 1 1 1 1 11 SER N 118.9 . 116.3 3.95 5.1039e-01 16237 1 1 1 1 168 LEU CA 55.52 . 55.65 2.21 9.5309e-01 16237 1 1 1 1 168 LEU CB 25.03 A 42.37 1.86 1.1354e-20 16237 1 1 1 1 168 LEU H 8.460 . 8.22 0.65 7.1196e-01 16237 1 1 1 1 168 LEU N 117.5 . 121.98 4.07 2.7101e-01 16237 1 1 1 1 225 THR C 171.9 . 174.6 1.8 1.3361e-01 16237 1 1 1 1 225 THR CA 68.53 . 62.15 2.72 1.8997e-02 16237 1 1 1 1 225 THR CB 57.32 A 69.64 1.7 4.2592e-13 16237 1 1 1 1 225 THR H 8.448 . 8.27 0.62 7.7404e-01 16237 1 1 1 1 225 THR HA 5.135 . 4.48 0.5 1.9020e-01 16237 1 1 1 1 225 THR HB 3.956 . 4.17 0.37 5.6301e-01 16237 1 1 1 1 225 THR HG21 0.979 . 1.16 0.28 5.1800e-01 16237 1 1 1 1 225 THR HG22 0.979 . 1.16 0.28 5.1800e-01 16237 1 1 1 1 225 THR HG23 0.979 . 1.16 0.28 5.1800e-01 16237 1 1 1 1 225 THR N 112.0 . 115.7 5.05 4.6376e-01 16237 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 11 SER CYS 0.94 16237 1 1 1 1 11 SER PRO 0.04 16237 1 1 1 1 168 LEU LYS 0.44 16237 1 1 1 1 168 LEU CYS 0.18 16237 1 1 1 1 168 LEU ARG 0.17 16237 1 1 1 1 168 LEU GLN 0.05 16237 1 1 1 1 168 LEU MET 0.03 16237 1 1 1 1 168 LEU HIS 0.03 16237 1 1 1 1 168 LEU ILE 0.02 16237 1 1 1 1 168 LEU TRP 0.02 16237 1 1 1 1 225 THR SER 0.99 16237 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16237 _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 16237 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16237 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16237 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16237 _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_