data_AVS_bmrb_pdb_report_6148 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6148 _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 6148 1 1 1 1 36 LEU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 6148 1 1 1 1 72 SER Anomalous Consistent Consistent Consistent Consistent Anomalous . . 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 6148 1 1 1 1 36 LEU CA 59.657 . 55.65 2.21 6.9813e-02 6148 1 1 1 1 36 LEU CB 37.102 . 42.37 1.86 4.6221e-03 6148 1 1 1 1 36 LEU CD2 22.110 . 24.1 1.78 2.6358e-01 6148 1 1 1 1 36 LEU H 8.154 . 8.22 0.65 9.1912e-01 6148 1 1 1 1 36 LEU HA 4.664 . 4.32 0.47 4.6422e-01 6148 1 1 1 1 36 LEU HB2 1.707 . 1.63 0.34 8.2084e-01 6148 1 1 1 1 36 LEU HB3 1.707 . 1.57 0.36 7.0353e-01 6148 1 1 1 1 36 LEU HD1 0.993 . 0.77 0.27 4.0885e-01 6148 1 1 1 1 36 LEU HD2 0.437 . 0.76 0.28 2.4868e-01 6148 1 1 1 1 36 LEU N 109.734 M 121.98 4.07 2.6224e-03 6148 1 1 1 1 72 SER CA 59.745 . 58.57 2.12 5.7941e-01 6148 1 1 1 1 72 SER CB 68.243 . 63.8 1.57 4.6557e-03 6148 1 1 1 1 72 SER H 6.322 . 8.29 0.62 1.5025e-03 6148 1 1 1 1 72 SER HA 4.431 . 4.51 0.43 8.5423e-01 6148 1 1 1 1 72 SER N 100.850 M 116.3 3.95 9.1766e-05 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 6148 1 1 1 1 36 LEU CYS 0.75 6148 1 1 1 1 36 LEU VAL 0.09 6148 1 1 1 1 36 LEU ILE 0.08 6148 1 1 1 1 36 LEU MET 0.05 6148 1 1 1 1 36 LEU LYS 0.01 6148 1 1 1 1 72 SER THR 0.96 6148 1 1 1 1 72 SER SER 0.03 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6148 _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 6148 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 6148 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6148 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6148 _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_