data_AVS_bmrb_pdb_report_17416 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17416 _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 31 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17416 1 1 1 1 208 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17416 1 1 1 1 227 LYS Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 17416 1 1 1 2 1 C90 UNSUPPORTED . . . . . . . 17416 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 31 GLU C 175.256 . 176.93 2.11 4.2757e-01 17416 1 1 1 1 31 GLU CA 53.664 . 57.42 2.19 8.6333e-02 17416 1 1 1 1 31 GLU CB 35.046 . 30.07 1.84 6.8439e-03 17416 1 1 1 1 31 GLU CG 35.356 . 36.01 1.51 6.6493e-01 17416 1 1 1 1 31 GLU H 7.786 . 8.34 0.61 3.6377e-01 17416 1 1 1 1 31 GLU HA 4.869 . 4.26 0.43 1.5669e-01 17416 1 1 1 1 31 GLU HB2 2.004 . 2.04 0.22 8.7002e-01 17416 1 1 1 1 31 GLU HB3 2.333 . 2.04 0.23 2.0269e-01 17416 1 1 1 1 31 GLU HG2 2.025 . 2.31 0.21 1.7474e-01 17416 1 1 1 1 31 GLU HG3 1.026 A 2.31 0.21 9.6990e-10 17416 1 1 1 1 31 GLU N 118.359 . 120.68 3.68 5.2823e-01 17416 1 1 1 1 208 LYS CA 59.593 . 56.84 2.25 2.2112e-01 17416 1 1 1 1 208 LYS CB 32.560 . 32.83 1.88 8.8580e-01 17416 1 1 1 1 208 LYS CE 39.396 . 41.78 0.98 1.4989e-02 17416 1 1 1 1 208 LYS H 7.628 . 8.22 0.64 3.5497e-01 17416 1 1 1 1 208 LYS HA 4.474 . 4.28 0.45 6.6639e-01 17416 1 1 1 1 208 LYS HB2 1.949 . 1.79 0.25 5.2478e-01 17416 1 1 1 1 208 LYS HB3 2.112 . 1.78 0.26 2.0163e-01 17416 1 1 1 1 208 LYS HG2 1.684 . 1.38 0.27 2.6020e-01 17416 1 1 1 1 208 LYS HG3 1.684 . 1.37 0.29 2.7892e-01 17416 1 1 1 1 208 LYS HE2 4.345 A 2.93 0.2 1.4945e-12 17416 1 1 1 1 208 LYS HE3 4.345 A 2.93 0.2 1.4945e-12 17416 1 1 1 1 208 LYS N 117.814 . 121.16 4.11 4.1558e-01 17416 1 1 1 1 227 LYS C 180.416 . 176.46 2.05 5.3637e-02 17416 1 1 1 1 227 LYS CA 58.032 . 56.84 2.25 5.9627e-01 17416 1 1 1 1 227 LYS CG 31.317 A 24.91 1.31 1.0041e-06 17416 1 1 1 1 227 LYS CD 28.210 . 28.78 1.39 6.8175e-01 17416 1 1 1 1 227 LYS CE 44.368 . 41.78 0.98 8.2707e-03 17416 1 1 1 1 227 LYS H 7.865 . 8.22 0.64 5.7911e-01 17416 1 1 1 1 227 LYS HA 3.847 . 4.28 0.45 3.3594e-01 17416 1 1 1 1 227 LYS HB2 1.387 . 1.79 0.25 1.0696e-01 17416 1 1 1 1 227 LYS HB3 1.387 . 1.78 0.26 1.3065e-01 17416 1 1 1 1 227 LYS HG2 1.135 . 1.38 0.27 3.6419e-01 17416 1 1 1 1 227 LYS HG3 1.135 . 1.37 0.29 4.1774e-01 17416 1 1 1 1 227 LYS HD2 1.754 . 1.61 0.25 5.6462e-01 17416 1 1 1 1 227 LYS HD3 1.955 . 1.61 0.25 1.6759e-01 17416 1 1 1 1 227 LYS HE2 2.838 . 2.93 0.2 6.4552e-01 17416 1 1 1 1 227 LYS HE3 3.331 . 2.93 0.2 4.4963e-02 17416 1 1 1 1 227 LYS N 117.678 . 121.16 4.11 3.9688e-01 17416 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 31 GLU CYS 0.83 17416 1 1 1 1 31 GLU MET 0.13 17416 1 1 1 1 31 GLU GLU 0.02 17416 1 1 1 1 208 LYS CYS 0.73 17416 1 1 1 1 208 LYS ILE 0.14 17416 1 1 1 1 208 LYS LYS 0.05 17416 1 1 1 1 208 LYS GLU 0.04 17416 1 1 1 1 208 LYS MET 0.01 17416 1 1 1 1 227 LYS CYS 0.42 17416 1 1 1 1 227 LYS ARG 0.34 17416 1 1 1 1 227 LYS GLY 0.23 17416 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17416 _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 17416 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17416 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17416 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17416 _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_