data_AVS_bmrb_pdb_report_6763 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6763 _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 6763 1 1 1 1 8 GLY Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6763 1 1 1 1 101 ASP Anomalous Consistent Consistent Consistent Anomalous 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 6763 1 1 1 1 8 GLY C 182.60 M 174.04 1.94 1.0224e-05 6763 1 1 1 1 8 GLY CA 44.50 . 45.33 1.42 5.5888e-01 6763 1 1 1 1 8 GLY H 8.83 . 8.34 0.74 5.0787e-01 6763 1 1 1 1 8 GLY HA2 5.25 . 3.95 0.4 1.1541e-03 6763 1 1 1 1 8 GLY HA3 2.88 . 3.93 0.4 8.6649e-03 6763 1 1 1 1 8 GLY N 106.92 . 109.91 4.29 4.8582e-01 6763 1 1 1 1 101 ASP C 176.45 . 176.41 1.77 9.8197e-01 6763 1 1 1 1 101 ASP CA 60.82 M 54.52 2.1 2.6998e-03 6763 1 1 1 1 101 ASP CB 39.97 . 40.7 1.67 6.6202e-01 6763 1 1 1 1 101 ASP H 8.41 . 8.33 0.57 8.8838e-01 6763 1 1 1 1 101 ASP HA 4.62 . 4.61 0.31 9.7427e-01 6763 1 1 1 1 101 ASP HB2 2.85 . 2.74 0.29 7.0446e-01 6763 1 1 1 1 101 ASP HB3 2.60 . 2.7 0.29 7.3022e-01 6763 1 1 1 1 101 ASP N 120.78 . 120.73 4.2 9.9050e-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 6763 1 1 1 1 8 GLY GLY 0.51 6763 1 1 1 1 8 GLY LEU 0.23 6763 1 1 1 1 8 GLY ARG 0.18 6763 1 1 1 1 8 GLY PHE 0.02 6763 1 1 1 1 8 GLY ASP 0.02 6763 1 1 1 1 8 GLY TYR 0.01 6763 1 1 1 1 101 ASP ILE 0.37 6763 1 1 1 1 101 ASP PHE 0.31 6763 1 1 1 1 101 ASP TYR 0.26 6763 1 1 1 1 101 ASP LYS 0.01 6763 1 1 1 1 101 ASP LEU 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6763 _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 6763 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 6763 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6763 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6763 _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_