data_AVS_bmrb_pdb_report_6317 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6317 _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 6317 1 1 1 1 1 MET Anomalous Consistent Consistent Consistent Anomalous Indeterminable . . 6317 1 1 1 1 51 TYR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 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 6317 1 1 1 1 1 MET C 181.468 M 176.3 2.13 1.5254e-02 6317 1 1 1 1 1 MET CA 55.241 . 56.16 2.34 6.9451e-01 6317 1 1 1 1 1 MET CB 33.509 . 32.9 2.23 7.8478e-01 6317 1 1 1 1 1 MET CG 30.643 . 32.07 1.45 3.2505e-01 6317 1 1 1 1 1 MET HA 4.299 . 4.39 0.46 8.4318e-01 6317 1 1 1 1 1 MET HB2 2.510 . 2.03 0.38 2.0653e-01 6317 1 1 1 1 1 MET HB3 2.445 . 2.01 0.36 2.2692e-01 6317 1 1 1 1 1 MET HG2 2.230 . 2.44 0.36 5.5967e-01 6317 1 1 1 1 1 MET HG3 2.129 . 2.41 0.4 4.8237e-01 6317 1 1 1 1 51 TYR C 180.444 M 175.39 1.89 7.4936e-03 6317 1 1 1 1 51 TYR CA 61.658 . 58.02 2.64 1.6819e-01 6317 1 1 1 1 51 TYR CB 38.658 . 39.16 2.23 8.2189e-01 6317 1 1 1 1 51 TYR CD1 133.818 . 132.54 1.35 3.4381e-01 6317 1 1 1 1 51 TYR CD2 133.818 . 132.26 1.99 4.3368e-01 6317 1 1 1 1 51 TYR CE1 117.889 . 117.81 2.09 9.6985e-01 6317 1 1 1 1 51 TYR CE2 117.889 . 117.91 2.6 9.9356e-01 6317 1 1 1 1 51 TYR H 8.132 . 8.37 0.75 7.5099e-01 6317 1 1 1 1 51 TYR HA 4.313 . 4.63 0.56 5.7135e-01 6317 1 1 1 1 51 TYR HB2 3.351 . 2.91 0.37 2.3330e-01 6317 1 1 1 1 51 TYR HB3 3.232 . 2.91 0.37 3.8415e-01 6317 1 1 1 1 51 TYR HD1 6.589 . 6.87 0.65 6.6552e-01 6317 1 1 1 1 51 TYR HD2 6.589 . 6.86 0.68 6.9024e-01 6317 1 1 1 1 51 TYR HE1 6.732 . 6.64 0.58 8.7397e-01 6317 1 1 1 1 51 TYR HE2 6.732 . 6.63 0.61 8.6720e-01 6317 1 1 1 1 51 TYR N 117.562 . 120.79 4.69 4.9128e-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 6317 1 1 1 1 1 MET GLN 0.33 6317 1 1 1 1 1 MET MET 0.31 6317 1 1 1 1 1 MET LYS 0.2 6317 1 1 1 1 1 MET GLU 0.11 6317 1 1 1 1 1 MET ARG 0.02 6317 1 1 1 1 51 TYR TYR 0.99 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6317 _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 6317 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 6317 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6317 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6317 _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_