data_AVS_bmrb_pdb_report_17636 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17636 _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 65 TYR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 17636 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 65 TYR C 172.878 . 175.39 1.89 1.8381e-01 17636 1 1 1 1 65 TYR CA 54.389 . 58.02 2.64 1.6901e-01 17636 1 1 1 1 65 TYR CB 41.460 . 39.16 2.23 3.0236e-01 17636 1 1 1 1 65 TYR CD1 131.565 . 132.54 1.35 4.7016e-01 17636 1 1 1 1 65 TYR CD2 131.565 . 132.26 1.99 7.2690e-01 17636 1 1 1 1 65 TYR CE1 114.935 . 117.81 2.09 1.6895e-01 17636 1 1 1 1 65 TYR CE2 114.935 A 117.91 2.6 2.5253e-01 17636 1 1 1 1 65 TYR H 7.470 . 8.37 0.75 2.3014e-01 17636 1 1 1 1 65 TYR HA 5.058 . 4.63 0.56 4.4470e-01 17636 1 1 1 1 65 TYR HB2 2.456 . 2.91 0.37 2.1981e-01 17636 1 1 1 1 65 TYR HB3 2.151 . 2.91 0.37 4.0233e-02 17636 1 1 1 1 65 TYR HD1 6.697 . 6.87 0.65 7.9012e-01 17636 1 1 1 1 65 TYR HD2 6.697 . 6.86 0.68 8.1056e-01 17636 1 1 1 1 65 TYR HE1 6.610 . 6.64 0.58 9.5875e-01 17636 1 1 1 1 65 TYR HE2 6.610 . 6.63 0.61 9.7384e-01 17636 1 1 1 1 65 TYR N 123.248 . 120.79 4.69 6.0021e-01 17636 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 65 TYR CYS 0.5 17636 1 1 1 1 65 TYR TYR 0.48 17636 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17636 _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 17636 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17636 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17636 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17636 _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_