data_AVS_bmrb_pdb_report_10288 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10288 _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 21 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 10288 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 21 LEU C 178.196 . 176.97 2.09 5.5747e-01 10288 1 1 1 1 21 LEU CA 57.944 . 55.65 2.21 2.9927e-01 10288 1 1 1 1 21 LEU CB 37.864 . 42.37 1.86 1.5411e-02 10288 1 1 1 1 21 LEU CG 25.174 . 26.77 1.25 2.0167e-01 10288 1 1 1 1 21 LEU CD1 23.337 . 24.73 1.71 4.1529e-01 10288 1 1 1 1 21 LEU CD2 22.441 . 24.1 1.78 3.5133e-01 10288 1 1 1 1 21 LEU H 8.034 . 8.22 0.65 7.7476e-01 10288 1 1 1 1 21 LEU HA 3.491 . 4.32 0.47 7.7761e-02 10288 1 1 1 1 21 LEU HB2 -1.248 S 1.63 0.34 2.5680e-17 10288 1 1 1 1 21 LEU HB3 0.153 S 1.57 0.36 8.2813e-05 10288 1 1 1 1 21 LEU HG 1.032 . 1.54 0.33 1.2371e-01 10288 1 1 1 1 21 LEU HD11 -1.278 A 0.77 0.27 3.3201e-14 10288 1 1 1 1 21 LEU HD12 -1.278 A 0.77 0.27 3.3201e-14 10288 1 1 1 1 21 LEU HD13 -1.278 A 0.77 0.27 3.3201e-14 10288 1 1 1 1 21 LEU HD21 0.266 . 0.76 0.28 7.7684e-02 10288 1 1 1 1 21 LEU HD22 0.266 . 0.76 0.28 7.7684e-02 10288 1 1 1 1 21 LEU HD23 0.266 . 0.76 0.28 7.7684e-02 10288 1 1 1 1 21 LEU N 121.259 . 121.98 4.07 8.5939e-01 10288 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 21 LEU CYS 0.89 10288 1 1 1 1 21 LEU LEU 0.07 10288 1 1 1 1 21 LEU VAL 0.02 10288 1 1 1 1 21 LEU ALA 0.01 10288 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10288 _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 10288 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 10288 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 10288 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10288 _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_