data_AVS_bmrb_pdb_report_6356 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6356 _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 29 TYR Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 6356 1 1 1 1 58 MET Anomalous Consistent Consistent Consistent Consistent Anomalous . . 6356 1 1 1 1 80 TRP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6356 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 29 TYR C 178.539 . 175.39 1.89 9.5686e-02 6356 1 1 1 1 29 TYR CA 62.027 . 58.02 2.64 1.2906e-01 6356 1 1 1 1 29 TYR CB 38.543 . 39.16 2.23 7.8202e-01 6356 1 1 1 1 29 TYR CD1 132.346 . 132.54 1.35 8.8573e-01 6356 1 1 1 1 29 TYR CD2 113.003 A 132.26 1.99 3.7806e-22 6356 1 1 1 1 29 TYR CE1 113.935 . 117.81 2.09 6.3730e-02 6356 1 1 1 1 29 TYR CE2 114.634 A 117.91 2.6 2.0767e-01 6356 1 1 1 1 29 TYR H 8.280 . 8.37 0.75 9.0448e-01 6356 1 1 1 1 29 TYR HA 3.541 . 4.63 0.56 5.1818e-02 6356 1 1 1 1 29 TYR HB2 3.052 . 2.91 0.37 7.0114e-01 6356 1 1 1 1 29 TYR HB3 2.904 . 2.91 0.37 9.8706e-01 6356 1 1 1 1 29 TYR HD1 7.099 . 6.87 0.65 7.2461e-01 6356 1 1 1 1 29 TYR HD2 6.804 . 6.86 0.68 9.3437e-01 6356 1 1 1 1 29 TYR HE1 7.346 . 6.64 0.58 2.2351e-01 6356 1 1 1 1 29 TYR HE2 7.086 . 6.63 0.61 4.5474e-01 6356 1 1 1 1 29 TYR N 122.389 . 120.79 4.69 7.3315e-01 6356 1 1 1 1 58 MET C 174.587 . 176.3 2.13 4.2127e-01 6356 1 1 1 1 58 MET CA 53.072 . 56.16 2.34 1.8695e-01 6356 1 1 1 1 58 MET CB 36.034 . 32.9 2.23 1.5991e-01 6356 1 1 1 1 58 MET CG 31.111 . 32.07 1.45 5.0837e-01 6356 1 1 1 1 58 MET H 10.154 . 8.26 0.6 1.5958e-03 6356 1 1 1 1 58 MET HA 3.893 . 4.39 0.46 2.7995e-01 6356 1 1 1 1 58 MET HB2 2.271 . 2.03 0.38 5.2594e-01 6356 1 1 1 1 58 MET HG2 2.310 . 2.44 0.36 7.1802e-01 6356 1 1 1 1 58 MET N 134.356 A 120.1 3.88 2.3857e-04 6356 1 1 1 1 80 TRP C 173.363 . 176.1 1.89 1.4758e-01 6356 1 1 1 1 80 TRP CA 54.972 . 57.71 2.65 3.0151e-01 6356 1 1 1 1 80 TRP CB 31.075 . 30.16 2.19 6.7609e-01 6356 1 1 1 1 80 TRP CD1 132.346 A 126.16 1.76 4.4013e-04 6356 1 1 1 1 80 TRP H 9.856 . 8.35 0.84 7.2996e-02 6356 1 1 1 1 80 TRP HA 5.751 . 4.74 0.55 6.6036e-02 6356 1 1 1 1 80 TRP HB2 3.574 . 3.22 0.36 3.2544e-01 6356 1 1 1 1 80 TRP HB3 3.417 . 3.18 0.36 5.1032e-01 6356 1 1 1 1 80 TRP HD1 6.789 . 7.16 0.34 2.7520e-01 6356 1 1 1 1 80 TRP HE1 9.254 . 10.13 0.53 9.8365e-02 6356 1 1 1 1 80 TRP N 131.933 . 121.87 4.58 2.8009e-02 6356 1 1 1 1 80 TRP NE1 128.161 . 129.48 2.56 6.0639e-01 6356 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 29 TYR CYS 0.99 6356 1 1 1 1 58 MET CYS 0.42 6356 1 1 1 1 58 MET MET 0.24 6356 1 1 1 1 58 MET GLU 0.23 6356 1 1 1 1 58 MET GLN 0.04 6356 1 1 1 1 58 MET LYS 0.03 6356 1 1 1 1 80 TRP HIS 0.54 6356 1 1 1 1 80 TRP CYS 0.45 6356 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6356 _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 6356 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 6356 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 6356 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6356 _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_