data_AVS_bmrb_pdb_report_6604 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6604 _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 6604 1 1 1 1 83 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 6604 1 1 1 1 83 LEU C 179.094 . 176.97 2.09 3.0950e-01 6604 1 1 1 1 83 LEU CA 57.614 . 55.65 2.21 3.7417e-01 6604 1 1 1 1 83 LEU CB 40.837 . 42.37 1.86 4.0983e-01 6604 1 1 1 1 83 LEU CG 25.921 . 26.77 1.25 4.9701e-01 6604 1 1 1 1 83 LEU CD1 26.944 . 24.73 1.71 1.9541e-01 6604 1 1 1 1 83 LEU CD2 22.558 . 24.1 1.78 3.8633e-01 6604 1 1 1 1 83 LEU H 6.953 . 8.22 0.65 5.1268e-02 6604 1 1 1 1 83 LEU HA 2.005 M 4.32 0.47 8.4131e-07 6604 1 1 1 1 83 LEU HB2 1.742 . 1.63 0.34 7.4184e-01 6604 1 1 1 1 83 LEU HB3 1.163 . 1.57 0.36 2.5824e-01 6604 1 1 1 1 83 LEU HG 1.486 . 1.54 0.33 8.7002e-01 6604 1 1 1 1 83 LEU HD1 0.946 . 0.77 0.27 5.1450e-01 6604 1 1 1 1 83 LEU HD2 0.600 . 0.76 0.28 5.6771e-01 6604 1 1 1 1 83 LEU N 123.869 . 121.98 4.07 6.4256e-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 6604 1 1 1 1 83 LEU CYS 0.51 6604 1 1 1 1 83 LEU LEU 0.42 6604 1 1 1 1 83 LEU ARG 0.04 6604 1 1 1 1 83 LEU ALA 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6604 _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 6604 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 6604 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6604 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6604 _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_