data_AVS_bmrb_pdb_report_6244 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6244 _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 6244 1 1 1 1 105 TYR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6244 1 1 1 1 115 LYS Anomalous Consistent Consistent Consistent Anomalous Indeterminable . . 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 6244 1 1 1 1 105 TYR C 180.9 M 175.39 1.89 3.5530e-03 6244 1 1 1 1 105 TYR CA 61.0 . 58.02 2.64 2.5899e-01 6244 1 1 1 1 105 TYR CB 39.1 . 39.16 2.23 9.7853e-01 6244 1 1 1 1 105 TYR CD1 132.8 . 132.54 1.35 8.4728e-01 6244 1 1 1 1 105 TYR CE1 118.6 . 117.81 2.09 7.0544e-01 6244 1 1 1 1 105 TYR H 8.83 . 8.37 0.75 5.3966e-01 6244 1 1 1 1 105 TYR HA 4.57 . 4.63 0.56 9.1468e-01 6244 1 1 1 1 105 TYR HB2 2.81 . 2.91 0.37 7.8695e-01 6244 1 1 1 1 105 TYR HD1 6.66 . 6.87 0.65 7.4664e-01 6244 1 1 1 1 105 TYR HE1 6.08 . 6.64 0.58 3.3429e-01 6244 1 1 1 1 105 TYR N 118.8 . 120.79 4.69 6.7134e-01 6244 1 1 1 1 115 LYS C 184.6 M 176.46 2.05 7.1652e-05 6244 1 1 1 1 115 LYS CA 58.7 . 56.84 2.25 4.0843e-01 6244 1 1 1 1 115 LYS CB 32.3 . 32.83 1.88 7.7801e-01 6244 1 1 1 1 115 LYS CG 24.9 . 24.91 1.31 9.9391e-01 6244 1 1 1 1 115 LYS CD 29.1 . 28.78 1.39 8.1792e-01 6244 1 1 1 1 115 LYS CE 42.3 . 41.78 0.98 5.9569e-01 6244 1 1 1 1 115 LYS HA 3.98 . 4.28 0.45 5.0499e-01 6244 1 1 1 1 115 LYS HB2 1.81 . 1.79 0.25 9.3624e-01 6244 1 1 1 1 115 LYS HG2 1.46 . 1.38 0.27 7.6700e-01 6244 1 1 1 1 115 LYS HD2 1.62 . 1.61 0.25 9.6809e-01 6244 1 1 1 1 115 LYS HE2 2.93 . 2.93 0.2 1.0000e+00 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 6244 1 1 1 1 105 TYR TYR 0.65 6244 1 1 1 1 105 TYR CYS 0.34 6244 1 1 1 1 115 LYS LYS 0.38 6244 1 1 1 1 115 LYS CYS 0.36 6244 1 1 1 1 115 LYS ARG 0.21 6244 1 1 1 1 115 LYS MET 0.02 6244 1 1 1 1 115 LYS GLY 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6244 _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 6244 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 6244 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6244 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6244 _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_