data_AVS_bmrb_pdb_report_11036 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11036 _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 30 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11036 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 30 LEU CA 51.439 . 55.65 2.21 5.6724e-02 11036 1 1 1 1 30 LEU CB 46.001 . 42.37 1.86 5.0920e-02 11036 1 1 1 1 30 LEU CG 26.484 . 26.77 1.25 8.1902e-01 11036 1 1 1 1 30 LEU CD1 25.995 . 24.73 1.71 4.5944e-01 11036 1 1 1 1 30 LEU H 4.525 A 8.22 0.65 1.3111e-08 11036 1 1 1 1 30 LEU HA 4.515 . 4.32 0.47 6.7822e-01 11036 1 1 1 1 30 LEU HB2 1.433 . 1.63 0.34 5.6231e-01 11036 1 1 1 1 30 LEU HB3 1.114 . 1.57 0.36 2.0527e-01 11036 1 1 1 1 30 LEU HG 1.406 . 1.54 0.33 6.8470e-01 11036 1 1 1 1 30 LEU HD11 0.893 . 0.77 0.27 6.4871e-01 11036 1 1 1 1 30 LEU HD12 0.893 . 0.77 0.27 6.4871e-01 11036 1 1 1 1 30 LEU HD13 0.893 . 0.77 0.27 6.4871e-01 11036 1 1 1 1 30 LEU HD21 0.891 . 0.76 0.28 6.3989e-01 11036 1 1 1 1 30 LEU HD22 0.891 . 0.76 0.28 6.3989e-01 11036 1 1 1 1 30 LEU HD23 0.891 . 0.76 0.28 6.3989e-01 11036 1 1 1 1 30 LEU N 121.110 . 121.98 4.07 8.3073e-01 11036 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 30 LEU GLY 0.75 11036 1 1 1 1 30 LEU CYS 0.13 11036 1 1 1 1 30 LEU LEU 0.1 11036 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11036 _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 11036 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11036 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11036 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11036 _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_