data_AVS_bmrb_pdb_report_16958 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16958 _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 5 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16958 1 1 1 2 1 ZN UNSUPPORTED . . . . . . . 16958 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 5 LEU CA 52.258 . 55.65 2.21 1.2482e-01 16958 1 1 1 1 5 LEU CB 42.494 . 42.37 1.86 9.4685e-01 16958 1 1 1 1 5 LEU CG 25.992 . 26.77 1.25 5.3368e-01 16958 1 1 1 1 5 LEU CD1 24.360 . 24.73 1.71 8.2870e-01 16958 1 1 1 1 5 LEU CD2 25.608 . 24.1 1.78 3.9689e-01 16958 1 1 1 1 5 LEU H 8.508 . 8.22 0.65 6.5771e-01 16958 1 1 1 1 5 LEU HA 4.850 . 4.32 0.47 2.5946e-01 16958 1 1 1 1 5 LEU HB2 0.649 . 1.63 0.34 3.9105e-03 16958 1 1 1 1 5 LEU HB3 -1.242 A 1.57 0.36 5.6686e-15 16958 1 1 1 1 5 LEU HG 0.659 . 1.54 0.33 7.5920e-03 16958 1 1 1 1 5 LEU HD11 0.435 . 0.77 0.27 2.1470e-01 16958 1 1 1 1 5 LEU HD12 0.435 . 0.77 0.27 2.1470e-01 16958 1 1 1 1 5 LEU HD13 0.435 . 0.77 0.27 2.1470e-01 16958 1 1 1 1 5 LEU HD21 0.471 . 0.76 0.28 3.0201e-01 16958 1 1 1 1 5 LEU HD22 0.471 . 0.76 0.28 3.0201e-01 16958 1 1 1 1 5 LEU HD23 0.471 . 0.76 0.28 3.0201e-01 16958 1 1 1 1 5 LEU N 126.558 . 121.98 4.07 2.6067e-01 16958 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 5 LEU LEU 0.73 16958 1 1 1 1 5 LEU CYS 0.18 16958 1 1 1 1 5 LEU GLY 0.05 16958 1 1 1 1 5 LEU ARG 0.01 16958 1 1 1 1 5 LEU ALA 0.01 16958 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16958 _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 16958 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16958 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16958 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16958 _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_