data_AVS_bmrb_pdb_report_17569 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17569 _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 42 ILE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17569 1 1 1 1 86 CYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17569 1 1 1 2 9 M3L UNSUPPORTED . . . . . . . 17569 1 1 1 3 1 ZN UNSUPPORTED . . . . . . . 17569 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 42 ILE CA 59.230 . 61.59 2.78 3.9593e-01 17569 1 1 1 1 42 ILE CB 43.270 . 38.58 2.09 2.4831e-02 17569 1 1 1 1 42 ILE CG2 19.266 . 17.36 1.6 2.3356e-01 17569 1 1 1 1 42 ILE CD1 13.763 . 13.41 1.91 8.5337e-01 17569 1 1 1 1 42 ILE H 9.766 . 8.26 0.71 3.3911e-02 17569 1 1 1 1 42 ILE HA 6.352 A 4.2 0.56 1.2161e-04 17569 1 1 1 1 42 ILE HB 2.371 . 1.8 0.31 6.5485e-02 17569 1 1 1 1 42 ILE HG21 1.403 . 0.8 0.29 3.7589e-02 17569 1 1 1 1 42 ILE HG22 1.403 . 0.8 0.29 3.7589e-02 17569 1 1 1 1 42 ILE HG23 1.403 . 0.8 0.29 3.7589e-02 17569 1 1 1 1 42 ILE HD11 0.940 . 0.7 0.3 4.2371e-01 17569 1 1 1 1 42 ILE HD12 0.940 . 0.7 0.3 4.2371e-01 17569 1 1 1 1 42 ILE HD13 0.940 . 0.7 0.3 4.2371e-01 17569 1 1 1 1 42 ILE N 124.396 . 121.6 4.72 5.5360e-01 17569 1 1 1 1 86 CYS CA 57.342 . 57.43 3.41 9.7941e-01 17569 1 1 1 1 86 CYS CB 32.257 . 34.15 6.77 7.7977e-01 17569 1 1 1 1 86 CYS H 11.309 A 8.42 0.66 1.2017e-05 17569 1 1 1 1 86 CYS HA 5.622 . 4.73 0.57 1.1760e-01 17569 1 1 1 1 86 CYS HB2 2.906 . 2.95 0.43 9.1850e-01 17569 1 1 1 1 86 CYS HB3 3.603 . 2.98 0.45 1.6622e-01 17569 1 1 1 1 86 CYS N 126.682 . 119.95 4.79 1.5989e-01 17569 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 42 ILE CYS 0.55 17569 1 1 1 1 42 ILE GLY 0.23 17569 1 1 1 1 42 ILE ILE 0.19 17569 1 1 1 1 42 ILE ALA 0.02 17569 1 1 1 1 86 CYS CYS 0.16 17569 1 1 1 1 86 CYS LYS 0.16 17569 1 1 1 1 86 CYS MET 0.15 17569 1 1 1 1 86 CYS ARG 0.11 17569 1 1 1 1 86 CYS TRP 0.1 17569 1 1 1 1 86 CYS HIS 0.09 17569 1 1 1 1 86 CYS GLU 0.08 17569 1 1 1 1 86 CYS GLN 0.06 17569 1 1 1 1 86 CYS VAL 0.04 17569 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17569 _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 17569 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17569 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17569 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17569 _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_