data_AVS_bmrb_pdb_report_7418 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 7418 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 24 ASP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 7418 1 1 1 1 32 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 7418 1 1 1 1 37 ARG Anomalous Consistent Consistent Consistent Anomalous Consistent . . 7418 1 1 1 1 47 GLU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 7418 1 1 1 2 1 CA UNSUPPORTED . . . . . . . 7418 1 1 1 3 1 TM UNSUPPORTED . . . . . . . 7418 1 stop_ loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 24 ASP CA 49.958 . 54.52 2.1 2.9827e-02 7418 1 1 1 1 24 ASP H 5.903 A 8.33 0.57 2.0636e-05 7418 1 1 1 1 24 ASP N 118.318 . 120.73 4.2 5.6577e-01 7418 1 1 1 1 32 LEU C 180.927 . 176.97 2.09 5.8318e-02 7418 1 1 1 1 32 LEU CA 61.613 . 55.65 2.21 6.9718e-03 7418 1 1 1 1 32 LEU CB 47.586 . 42.37 1.86 5.0426e-03 7418 1 1 1 1 32 LEU H 12.529 A 8.22 0.65 3.3744e-11 7418 1 1 1 1 32 LEU N 124.295 . 121.98 4.07 5.6949e-01 7418 1 1 1 1 37 ARG C 181.627 A 176.49 2.16 1.7395e-02 7418 1 1 1 1 37 ARG CA 59.01 . 56.95 2.41 3.9268e-01 7418 1 1 1 1 37 ARG CB 30.111 . 30.66 1.77 7.5643e-01 7418 1 1 1 1 37 ARG H 10.016 . 8.24 0.6 3.0764e-03 7418 1 1 1 1 37 ARG N 119.265 . 120.61 3.9 7.3019e-01 7418 1 1 1 1 47 GLU C 181.827 A 176.93 2.11 2.0295e-02 7418 1 1 1 1 47 GLU CA 60.099 . 57.42 2.19 2.2122e-01 7418 1 1 1 1 47 GLU CB 29.948 . 30.07 1.84 9.4714e-01 7418 1 1 1 1 47 GLU H 8.929 . 8.34 0.61 3.3426e-01 7418 1 1 1 1 47 GLU N 120.086 . 120.68 3.68 8.7177e-01 7418 1 stop_ loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 24 ASP PRO 0.72 7418 1 1 1 1 24 ASP ALA 0.11 7418 1 1 1 1 24 ASP ASN 0.07 7418 1 1 1 1 24 ASP ASP 0.02 7418 1 1 1 1 24 ASP CYS 0.02 7418 1 1 1 1 32 LEU GLY 0.56 7418 1 1 1 1 32 LEU CYS 0.32 7418 1 1 1 1 32 LEU PRO 0.1 7418 1 1 1 1 37 ARG GLU 0.17 7418 1 1 1 1 37 ARG CYS 0.16 7418 1 1 1 1 37 ARG ARG 0.14 7418 1 1 1 1 37 ARG HIS 0.12 7418 1 1 1 1 37 ARG GLN 0.1 7418 1 1 1 1 37 ARG LYS 0.08 7418 1 1 1 1 37 ARG ILE 0.08 7418 1 1 1 1 37 ARG MET 0.04 7418 1 1 1 1 37 ARG VAL 0.04 7418 1 1 1 1 47 GLU CYS 0.18 7418 1 1 1 1 47 GLU ILE 0.16 7418 1 1 1 1 47 GLU GLU 0.14 7418 1 1 1 1 47 GLU ARG 0.12 7418 1 1 1 1 47 GLU HIS 0.09 7418 1 1 1 1 47 GLU VAL 0.08 7418 1 1 1 1 47 GLU GLN 0.07 7418 1 1 1 1 47 GLU LYS 0.07 7418 1 1 1 1 47 GLU MET 0.03 7418 1 1 1 1 47 GLU PRO 0.02 7418 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 7418 _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.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu 7418 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 7418 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 7418 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 7418 _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_