data_AVS_bmrb_pdb_report_17918 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17918 _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 39 LYS Anomalous Consistent Consistent Unknown Consistent Anomalous . . 17918 1 1 1 1 45 SER Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17918 1 1 1 1 62 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 17918 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 39 LYS C 180.883 . 176.64 2 3.3880e-02 17918 1 1 1 1 39 LYS CA 60.885 . 56.95 2.2 7.3674e-02 17918 1 1 1 1 39 LYS CB 33.541 . 32.79 1.78 6.7309e-01 17918 1 1 1 1 39 LYS CG 26.626 . 24.89 1.13 1.2447e-01 17918 1 1 1 1 39 LYS CD 30.21 . 28.96 1.08 2.4711e-01 17918 1 1 1 1 39 LYS CE 42.959 . 41.89 0.82 1.9235e-01 17918 1 1 1 1 39 LYS H 7.519 . 8.19 0.6 2.6342e-01 17918 1 1 1 1 39 LYS HA 3.984 . 4.27 0.44 5.1569e-01 17918 1 1 1 1 39 LYS HB2 1.884 . 1.78 0.25 6.7741e-01 17918 1 1 1 1 39 LYS HB3 1.921 . 1.74 0.27 5.0262e-01 17918 1 1 1 1 39 LYS HG2 1.441 . 1.37 0.26 7.8479e-01 17918 1 1 1 1 39 LYS HG3 1.63 . 1.35 0.28 3.1731e-01 17918 1 1 1 1 39 LYS HD2 1.692 . 1.61 0.22 7.0935e-01 17918 1 1 1 1 39 LYS HD3 1.717 . 1.6 0.22 5.9485e-01 17918 1 1 1 1 39 LYS HE2 2.638 . 2.92 0.19 1.3775e-01 17918 1 1 1 1 39 LYS HE3 2.972 . 2.91 0.2 7.5656e-01 17918 1 1 1 1 39 LYS HZ1 6 U . 0 . 17918 1 1 1 1 39 LYS HZ2 6 U . 0 . 17918 1 1 1 1 39 LYS HZ3 6 U . 0 . 17918 1 1 1 1 39 LYS N 120.585 . 121.05 3.77 9.0184e-01 17918 1 1 1 1 39 LYS NZ 105.259 A 33.81 2.81 0.0000e+00 17918 1 1 1 1 45 SER C 178.249 . 174.62 1.72 3.4868e-02 17918 1 1 1 1 45 SER CA 63.707 . 58.72 2.07 1.5988e-02 17918 1 1 1 1 45 SER H 8.901 . 8.28 0.59 2.9255e-01 17918 1 1 1 1 45 SER HA 4.072 . 4.48 0.4 3.0773e-01 17918 1 1 1 1 45 SER HB2 2.119 S 3.88 0.25 1.8680e-12 17918 1 1 1 1 45 SER HB3 0.968 A 3.85 0.27 1.3459e-26 17918 1 1 1 1 45 SER HG 4.763 . 5.36 1.03 5.6218e-01 17918 1 1 1 1 45 SER N 114.94 . 116.28 3.52 7.0344e-01 17918 1 1 1 1 62 ARG C 176.601 . 176.41 2.03 9.2504e-01 17918 1 1 1 1 62 ARG CA 52.631 . 56.77 2.31 7.3169e-02 17918 1 1 1 1 62 ARG CB 32.656 . 30.7 1.83 2.8514e-01 17918 1 1 1 1 62 ARG CG 28.02 . 27.21 1.2 4.9968e-01 17918 1 1 1 1 62 ARG CD 43.247 . 43.16 0.88 9.2125e-01 17918 1 1 1 1 62 ARG H 7.693 . 8.24 0.61 3.6987e-01 17918 1 1 1 1 62 ARG HA 4.461 . 4.3 0.46 7.2634e-01 17918 1 1 1 1 62 ARG HB2 0.536 S 1.79 0.27 3.4099e-06 17918 1 1 1 1 62 ARG HB3 0.381 S 1.76 0.28 8.4360e-07 17918 1 1 1 1 62 ARG HG2 1.151 . 1.57 0.27 1.2070e-01 17918 1 1 1 1 62 ARG HG3 0.949 . 1.54 0.29 4.1557e-02 17918 1 1 1 1 62 ARG HD2 3.051 . 3.12 0.24 7.7373e-01 17918 1 1 1 1 62 ARG HD3 3.35 . 3.1 0.26 3.3628e-01 17918 1 1 1 1 62 ARG HE 8.256 . 7.4 0.63 1.7423e-01 17918 1 1 1 1 62 ARG HH11 7.326 . 6.91 0.46 3.6581e-01 17918 1 1 1 1 62 ARG HH12 6.897 . 6.8 0.33 7.6880e-01 17918 1 1 1 1 62 ARG N 115.716 . 120.8 3.68 1.6712e-01 17918 1 1 1 1 62 ARG NE 112.212 A 84.63 1.68 1.4251e-60 17918 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 39 LYS CYS 0.52 17918 1 1 1 1 39 LYS ARG 0.33 17918 1 1 1 1 39 LYS LYS 0.08 17918 1 1 1 1 39 LYS GLY 0.05 17918 1 1 1 1 45 SER PRO 0.3 17918 1 1 1 1 45 SER VAL 0.25 17918 1 1 1 1 45 SER THR 0.21 17918 1 1 1 1 45 SER ILE 0.16 17918 1 1 1 1 45 SER CYS 0.03 17918 1 1 1 1 45 SER PHE 0.01 17918 1 1 1 1 62 ARG ARG 0.39 17918 1 1 1 1 62 ARG CYS 0.3 17918 1 1 1 1 62 ARG LYS 0.15 17918 1 1 1 1 62 ARG GLY 0.15 17918 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17918 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _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 17918 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17918 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17918 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17918 _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_