data_AVS_bmrb_pdb_report_36136 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 36136 _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 28 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 36136 1 1 1 1 37 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD2 > HB2" 0.9950 36136 1 1 1 1 37 ARG . . . . . . "HD2 > HB3" 0.9951 36136 1 1 1 1 37 ARG . . . . . . "HD2 > HG2" 0.9976 36136 1 1 1 1 37 ARG . . . . . . "HD2 > HG3" 0.9983 36136 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 28 GLU CA 50.549 . 57.32 2.09 1.1965e-03 36136 1 1 1 1 28 GLU CB 30.05 . 30.01 1.72 9.8145e-01 36136 1 1 1 1 28 GLU CG 36.385 . 36.11 1.19 8.1724e-01 36136 1 1 1 1 28 GLU H 7.494 . 8.33 0.59 1.5650e-01 36136 1 1 1 1 28 GLU HA 3.939 . 4.25 0.41 4.4813e-01 36136 1 1 1 1 28 GLU HB2 2.238 . 2.02 0.21 2.9923e-01 36136 1 1 1 1 28 GLU HB3 2.071 . 1.99 0.23 7.2471e-01 36136 1 1 1 1 28 GLU HG2 0 A 2.27 0.21 3.1028e-27 36136 1 1 1 1 28 GLU HG3 2.287 . 2.25 0.22 8.6644e-01 36136 1 1 1 1 28 GLU N 115.989 . 120.67 3.48 1.7859e-01 36136 1 1 1 1 37 ARG CA 55.111 . 56.77 2.31 4.7265e-01 36136 1 1 1 1 37 ARG CB 30.255 . 30.7 1.83 8.0787e-01 36136 1 1 1 1 37 ARG CG 27.918 . 27.21 1.2 5.5519e-01 36136 1 1 1 1 37 ARG CD 42.852 . 43.16 0.88 7.2634e-01 36136 1 1 1 1 37 ARG H 7.029 . 8.24 0.61 4.7117e-02 36136 1 1 1 1 37 ARG HA 4.416 . 4.3 0.46 8.0091e-01 36136 1 1 1 1 37 ARG HB2 2.18 . 1.79 0.27 1.4861e-01 36136 1 1 1 1 37 ARG HB3 1.574 . 1.76 0.28 5.0651e-01 36136 1 1 1 1 37 ARG HG2 1.785 . 1.57 0.27 4.2586e-01 36136 1 1 1 1 37 ARG HG3 1.66 . 1.54 0.29 6.7903e-01 36136 1 1 1 1 37 ARG HD2 0 A 3.12 0.24 1.2234e-38 36136 1 1 1 1 37 ARG HD3 3.042 . 3.1 0.26 8.2348e-01 36136 1 1 1 1 37 ARG N 118.486 . 120.8 3.68 5.2948e-01 36136 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 28 GLU GLU 0.43 36136 1 1 1 1 28 GLU MET 0.34 36136 1 1 1 1 28 GLU LYS 0.1 36136 1 1 1 1 28 GLU GLN 0.09 36136 1 1 1 1 37 ARG ARG 0.71 36136 1 1 1 1 37 ARG LYS 0.22 36136 1 1 1 1 37 ARG GLY 0.04 36136 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 36136 _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 36136 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 36136 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 36136 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 36136 _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_