data_AVS_bmrb_pdb_report_10114 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10114 _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 10114 1 1 1 1 14 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 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 10114 1 1 1 1 14 LEU C 176.412 . 176.97 2.09 7.8948e-01 10114 1 1 1 1 14 LEU CA 54.062 . 55.65 2.21 4.7242e-01 10114 1 1 1 1 14 LEU CB 45.934 . 42.37 1.86 5.5349e-02 10114 1 1 1 1 14 LEU CG 25.934 . 26.77 1.25 5.0362e-01 10114 1 1 1 1 14 LEU CD1 22.226 . 24.73 1.71 1.4310e-01 10114 1 1 1 1 14 LEU CD2 23.788 . 24.1 1.78 8.6086e-01 10114 1 1 1 1 14 LEU H 8.468 . 8.22 0.65 7.0280e-01 10114 1 1 1 1 14 LEU HA 4.537 . 4.32 0.47 6.4429e-01 10114 1 1 1 1 14 LEU HB2 0.758 . 1.63 0.34 1.0326e-02 10114 1 1 1 1 14 LEU HB3 0.374 S 1.57 0.36 8.9304e-04 10114 1 1 1 1 14 LEU HG 0.308 S 1.54 0.33 1.8896e-04 10114 1 1 1 1 14 LEU HD1 -1.732 M 0.77 0.27 1.9205e-20 10114 1 1 1 1 14 LEU HD2 0.053 . 0.76 0.28 1.1570e-02 10114 1 1 1 1 14 LEU N 123.882 . 121.98 4.07 6.4027e-01 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 10114 1 1 1 1 14 LEU GLY 0.48 10114 1 1 1 1 14 LEU CYS 0.21 10114 1 1 1 1 14 LEU LEU 0.17 10114 1 1 1 1 14 LEU ALA 0.13 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10114 _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 10114 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 10114 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 10114 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10114 _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_