data_AVS_bmrb_pdb_report_10098 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10098 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 10098 1 1 1 1 32 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 10098 1 1 1 1 71 LYS Anomalous Consistent Suspicious Anomalous Consistent Consistent "HE2 > HB2" 0.9970 10098 1 1 1 1 71 LYS . . . . . . "HE3 > HB2" 0.9970 10098 1 1 1 1 71 LYS . . . . . . "HE2 > HB3" 0.9957 10098 1 1 1 1 71 LYS . . . . . . "HE3 > HB3" 0.9974 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 10098 1 1 1 1 32 GLU C 177.876 . 176.93 2.11 6.5391e-01 10098 1 1 1 1 32 GLU CA 55.504 . 57.42 2.19 3.8164e-01 10098 1 1 1 1 32 GLU CB 30.451 . 30.07 1.84 8.3596e-01 10098 1 1 1 1 32 GLU CG 35.857 . 36.01 1.51 9.1929e-01 10098 1 1 1 1 32 GLU H 8.593 . 8.34 0.61 6.7832e-01 10098 1 1 1 1 32 GLU HA 3.789 . 4.26 0.43 2.7336e-01 10098 1 1 1 1 32 GLU HB2 0.695 S 2.04 0.22 9.7386e-10 10098 1 1 1 1 32 GLU HB3 1.349 . 2.04 0.23 2.6615e-03 10098 1 1 1 1 32 GLU HG2 0.747 M 2.31 0.21 9.8531e-14 10098 1 1 1 1 32 GLU HG3 1.285 S 2.31 0.21 1.0557e-06 10098 1 1 1 1 32 GLU N 126.490 . 120.68 3.68 1.1438e-01 10098 1 1 1 1 71 LYS C 177.452 . 176.46 2.05 6.2845e-01 10098 1 1 1 1 71 LYS CA 60.807 . 56.84 2.25 7.7882e-02 10098 1 1 1 1 71 LYS CB 32.923 . 32.83 1.88 9.6055e-01 10098 1 1 1 1 71 LYS CG 22.786 . 24.91 1.31 1.0494e-01 10098 1 1 1 1 71 LYS CD 28.605 . 28.78 1.39 8.9981e-01 10098 1 1 1 1 71 LYS CE 40.105 . 41.78 0.98 8.7417e-02 10098 1 1 1 1 71 LYS H 7.187 . 8.22 0.64 1.0651e-01 10098 1 1 1 1 71 LYS HA 3.226 . 4.28 0.45 1.9169e-02 10098 1 1 1 1 71 LYS HB2 1.095 . 1.79 0.25 5.4359e-03 10098 1 1 1 1 71 LYS HB3 1.443 . 1.78 0.26 1.9492e-01 10098 1 1 1 1 71 LYS HG2 -0.025 S 1.38 0.27 1.9536e-07 10098 1 1 1 1 71 LYS HG3 0.601 . 1.37 0.29 8.0082e-03 10098 1 1 1 1 71 LYS HD2 -0.129 M 1.61 0.25 3.5007e-12 10098 1 1 1 1 71 LYS HD3 0.250 M 1.61 0.25 5.3281e-08 10098 1 1 1 1 71 LYS HE2 0.949 M 2.93 0.2 3.9597e-23 10098 1 1 1 1 71 LYS HE3 1.026 M 2.93 0.2 1.7318e-21 10098 1 1 1 1 71 LYS N 121.113 . 121.16 4.11 9.9088e-01 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 10098 1 1 1 1 32 GLU GLU 0.33 10098 1 1 1 1 32 GLU CYS 0.32 10098 1 1 1 1 32 GLU MET 0.14 10098 1 1 1 1 32 GLU LYS 0.08 10098 1 1 1 1 32 GLU GLN 0.08 10098 1 1 1 1 32 GLU ILE 0.01 10098 1 1 1 1 71 LYS CYS 0.77 10098 1 1 1 1 71 LYS LYS 0.15 10098 1 1 1 1 71 LYS MET 0.03 10098 1 1 1 1 71 LYS ARG 0.02 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10098 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 10098 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 10098 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 10098 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10098 _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_