data_AVS_bmrb_pdb_report_17137 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17137 _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 90 GLU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 17137 1 1 1 1 96 TRP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 17137 1 1 1 1 97 LYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 17137 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 90 GLU C 175.117 . 176.93 2.11 3.9021e-01 17137 1 1 1 1 90 GLU CA 58.470 . 57.42 2.19 6.3162e-01 17137 1 1 1 1 90 GLU CB 30.670 . 30.07 1.84 7.4436e-01 17137 1 1 1 1 90 GLU CG 35.709 . 36.01 1.51 8.4200e-01 17137 1 1 1 1 90 GLU H 9.408 . 8.34 0.61 7.9977e-02 17137 1 1 1 1 90 GLU HA 3.909 . 4.26 0.43 4.1434e-01 17137 1 1 1 1 90 GLU HB2 1.757 . 2.04 0.22 1.9832e-01 17137 1 1 1 1 90 GLU HB3 1.978 . 2.04 0.23 7.8749e-01 17137 1 1 1 1 90 GLU HG2 2.110 . 2.31 0.21 3.4090e-01 17137 1 1 1 1 90 GLU HG3 2.042 . 2.31 0.21 2.0189e-01 17137 1 1 1 1 90 GLU N 104.930 A 120.68 3.68 1.8698e-05 17137 1 1 1 1 96 TRP C 176.991 . 176.1 1.89 6.3733e-01 17137 1 1 1 1 96 TRP CA 61.680 . 57.71 2.65 1.3410e-01 17137 1 1 1 1 96 TRP CB 29.420 . 30.16 2.19 7.3544e-01 17137 1 1 1 1 96 TRP CD1 130.061 A 126.16 1.76 2.6659e-02 17137 1 1 1 1 96 TRP H 8.018 . 8.35 0.84 6.9267e-01 17137 1 1 1 1 96 TRP HA 3.815 . 4.74 0.55 9.2604e-02 17137 1 1 1 1 96 TRP HB2 2.917 . 3.22 0.36 3.9997e-01 17137 1 1 1 1 96 TRP HB3 3.657 . 3.18 0.36 1.8517e-01 17137 1 1 1 1 96 TRP HD1 7.064 . 7.16 0.34 7.7767e-01 17137 1 1 1 1 96 TRP N 126.970 . 121.87 4.58 2.6548e-01 17137 1 1 1 1 97 LYS C 181.971 A 176.46 2.05 7.1818e-03 17137 1 1 1 1 97 LYS CA 59.690 . 56.84 2.25 2.0527e-01 17137 1 1 1 1 97 LYS CB 32.310 . 32.83 1.88 7.8209e-01 17137 1 1 1 1 97 LYS CG 26.199 . 24.91 1.31 3.2513e-01 17137 1 1 1 1 97 LYS CD 29.331 . 28.78 1.39 6.9181e-01 17137 1 1 1 1 97 LYS CE 41.290 . 41.78 0.98 6.1707e-01 17137 1 1 1 1 97 LYS H 8.717 . 8.22 0.64 4.3742e-01 17137 1 1 1 1 97 LYS HA 4.102 . 4.28 0.45 6.9243e-01 17137 1 1 1 1 97 LYS HB2 1.932 . 1.79 0.25 5.7003e-01 17137 1 1 1 1 97 LYS HB3 1.932 . 1.78 0.26 5.5881e-01 17137 1 1 1 1 97 LYS HG2 1.790 . 1.38 0.27 1.2888e-01 17137 1 1 1 1 97 LYS HG3 1.507 . 1.37 0.29 6.3663e-01 17137 1 1 1 1 97 LYS HD2 1.686 . 1.61 0.25 7.6113e-01 17137 1 1 1 1 97 LYS HD3 1.686 . 1.61 0.25 7.6113e-01 17137 1 1 1 1 97 LYS HE2 2.865 . 2.93 0.2 7.4518e-01 17137 1 1 1 1 97 LYS HE3 2.962 . 2.93 0.2 8.7288e-01 17137 1 1 1 1 97 LYS N 116.610 . 121.16 4.11 2.6827e-01 17137 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 90 GLU GLU 0.33 17137 1 1 1 1 90 GLU CYS 0.33 17137 1 1 1 1 90 GLU MET 0.11 17137 1 1 1 1 90 GLU GLN 0.07 17137 1 1 1 1 90 GLU LYS 0.06 17137 1 1 1 1 90 GLU ILE 0.06 17137 1 1 1 1 96 TRP CYS 0.6 17137 1 1 1 1 96 TRP HIS 0.29 17137 1 1 1 1 96 TRP TRP 0.1 17137 1 1 1 1 97 LYS CYS 0.43 17137 1 1 1 1 97 LYS LYS 0.38 17137 1 1 1 1 97 LYS ARG 0.16 17137 1 1 1 1 97 LYS MET 0.01 17137 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17137 _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 17137 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17137 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17137 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17137 _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_