data_AVS_bmrb_pdb_report_5605 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5605 _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 5605 1 1 1 1 22 LEU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 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 5605 1 1 1 1 22 LEU C 177.90 . 176.97 2.09 6.5634e-01 5605 1 1 1 1 22 LEU CA 55.99 . 55.65 2.21 8.7773e-01 5605 1 1 1 1 22 LEU CB 43.98 . 42.37 1.86 3.8671e-01 5605 1 1 1 1 22 LEU CG 26.74 . 26.77 1.25 9.8085e-01 5605 1 1 1 1 22 LEU CD1 25.75 . 24.73 1.71 5.5085e-01 5605 1 1 1 1 22 LEU CD2 23.24 . 24.1 1.78 6.2899e-01 5605 1 1 1 1 22 LEU H 7.59 . 8.22 0.65 3.3243e-01 5605 1 1 1 1 22 LEU HA 3.87 . 4.32 0.47 3.3834e-01 5605 1 1 1 1 22 LEU HB2 1.42 . 1.63 0.34 5.3681e-01 5605 1 1 1 1 22 LEU HB3 1.16 . 1.57 0.36 2.5475e-01 5605 1 1 1 1 22 LEU HG 1.63 . 1.54 0.33 7.8506e-01 5605 1 1 1 1 22 LEU HD1 0.83 . 0.77 0.27 8.2414e-01 5605 1 1 1 1 22 LEU HD2 0.74 . 0.76 0.28 9.4306e-01 5605 1 1 1 1 22 LEU N 109.68 M 121.98 4.07 2.5102e-03 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 5605 1 1 1 1 22 LEU LEU 0.71 5605 1 1 1 1 22 LEU GLY 0.26 5605 1 1 1 1 22 LEU ALA 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5605 _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 5605 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 5605 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5605 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5605 _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_