data_AVS_bmrb_pdb_report_16230 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16230 _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 85 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16230 1 1 1 2 1 ALA UNSUPPORTED . . . . . . . 16230 1 1 1 2 2 GLY UNSUPPORTED . . . . . . . 16230 1 1 1 2 3 ALA UNSUPPORTED . . . . . . . 16230 1 1 1 2 4 GLY UNSUPPORTED . . . . . . . 16230 1 1 1 2 5 ALA UNSUPPORTED . . . . . . . 16230 1 1 1 2 6 U UNSUPPORTED . . . . . . . 16230 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 85 LEU C 177.697 . 176.97 2.09 7.2795e-01 16230 1 1 1 1 85 LEU CA 55.728 . 55.65 2.21 9.7185e-01 16230 1 1 1 1 85 LEU CB 42.515 . 42.37 1.86 9.3786e-01 16230 1 1 1 1 85 LEU CG 27.202 . 26.77 1.25 7.2964e-01 16230 1 1 1 1 85 LEU CD1 25.053 . 24.73 1.71 8.5018e-01 16230 1 1 1 1 85 LEU H 7.942 . 8.22 0.65 6.6887e-01 16230 1 1 1 1 85 LEU HA 4.16 . 4.32 0.47 7.3354e-01 16230 1 1 1 1 85 LEU HB2 1.469 . 1.63 0.34 6.3584e-01 16230 1 1 1 1 85 LEU HB3 1.469 . 1.57 0.36 7.7905e-01 16230 1 1 1 1 85 LEU HG 1.484 . 1.54 0.33 8.6525e-01 16230 1 1 1 1 85 LEU HD21 23.453 A 0.76 0.28 0.0000e+00 16230 1 1 1 1 85 LEU HD22 23.453 A 0.76 0.28 0.0000e+00 16230 1 1 1 1 85 LEU HD23 23.453 A 0.76 0.28 0.0000e+00 16230 1 1 1 1 85 LEU N 121.63 . 121.98 4.07 9.3147e-01 16230 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 85 LEU LEU 0.4 16230 1 1 1 1 85 LEU LYS 0.29 16230 1 1 1 1 85 LEU CYS 0.21 16230 1 1 1 1 85 LEU ARG 0.07 16230 1 1 1 1 85 LEU GLY 0.01 16230 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16230 _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 16230 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16230 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16230 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16230 _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_