data_AVS_bmrb_pdb_report_6439 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6439 _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 6439 1 1 1 1 43 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 6439 1 1 1 1 43 LEU C 176.728 . 176.97 2.09 9.0782e-01 6439 1 1 1 1 43 LEU CA 59.175 . 55.65 2.21 1.1071e-01 6439 1 1 1 1 43 LEU CB 42.387 . 42.37 1.86 9.9271e-01 6439 1 1 1 1 43 LEU CG 28.018 . 26.77 1.25 3.1809e-01 6439 1 1 1 1 43 LEU CD1 23.521 . 24.73 1.71 4.7956e-01 6439 1 1 1 1 43 LEU CD2 23.511 . 24.1 1.78 7.4072e-01 6439 1 1 1 1 43 LEU H 8.28 . 8.22 0.65 9.2645e-01 6439 1 1 1 1 43 LEU HA 3.922 . 4.32 0.47 3.9710e-01 6439 1 1 1 1 43 LEU HB2 1.344 . 1.63 0.34 4.0025e-01 6439 1 1 1 1 43 LEU HB3 2.054 . 1.57 0.36 1.7880e-01 6439 1 1 1 1 43 LEU HG 0.721 . 1.54 0.33 1.3071e-02 6439 1 1 1 1 43 LEU HD1 0.701 . 0.77 0.27 7.9829e-01 6439 1 1 1 1 43 LEU HD2 0.701 . 0.76 0.28 8.3311e-01 6439 1 1 1 1 43 LEU N 107.427 M 121.98 4.07 3.4932e-04 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 6439 1 1 1 1 43 LEU CYS 0.46 6439 1 1 1 1 43 LEU LEU 0.42 6439 1 1 1 1 43 LEU ARG 0.05 6439 1 1 1 1 43 LEU GLY 0.03 6439 1 1 1 1 43 LEU VAL 0.02 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6439 _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 6439 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 6439 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6439 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6439 _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_