data_AVS_bmrb_pdb_report_7190 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 7190 _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 7190 1 1 1 1 54 TYR Anomalous Suspicious 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 7190 1 1 1 1 54 TYR CA 55.989 . 58.02 2.64 4.4170e-01 7190 1 1 1 1 54 TYR CB 41.747 . 39.16 2.23 2.4601e-01 7190 1 1 1 1 54 TYR CD1 117.849 M 132.54 1.35 1.4011e-27 7190 1 1 1 1 54 TYR CD2 117.849 M 132.26 1.99 4.4307e-13 7190 1 1 1 1 54 TYR CE1 134.009 M 117.81 2.09 9.1375e-15 7190 1 1 1 1 54 TYR CE2 134.009 M 117.91 2.6 5.9435e-10 7190 1 1 1 1 54 TYR H 7.493 . 8.37 0.75 2.4227e-01 7190 1 1 1 1 54 TYR HA 5.211 . 4.63 0.56 2.9950e-01 7190 1 1 1 1 54 TYR HB2 2.907 . 2.91 0.37 9.9353e-01 7190 1 1 1 1 54 TYR HB3 2.586 . 2.91 0.37 3.8121e-01 7190 1 1 1 1 54 TYR HD1 6.849 . 6.87 0.65 9.7423e-01 7190 1 1 1 1 54 TYR HD2 6.849 . 6.86 0.68 9.8709e-01 7190 1 1 1 1 54 TYR HE1 6.849 . 6.64 0.58 7.1859e-01 7190 1 1 1 1 54 TYR HE2 6.849 . 6.63 0.61 7.1958e-01 7190 1 1 1 1 54 TYR N 115.245 . 120.79 4.69 2.3709e-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 7190 1 1 1 1 54 TYR GLY 0.99 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 7190 _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 7190 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 7190 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 7190 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 7190 _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_