data_AVS_bmrb_pdb_report_18010 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18010 _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 39 TYR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 18010 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 39 TYR C 176.55 . 175.39 1.89 5.3938e-01 18010 1 1 1 1 39 TYR CA 58.95 . 58.02 2.64 7.2463e-01 18010 1 1 1 1 39 TYR CB 38.99 . 39.16 2.23 9.3923e-01 18010 1 1 1 1 39 TYR CD1 132.14 . 132.54 1.35 7.6700e-01 18010 1 1 1 1 39 TYR CD2 137.79 A 132.26 1.99 5.4544e-03 18010 1 1 1 1 39 TYR CE1 117.46 . 117.81 2.09 8.6701e-01 18010 1 1 1 1 39 TYR CE2 117.46 . 117.91 2.6 8.6259e-01 18010 1 1 1 1 39 TYR H 7.90 . 8.37 0.75 5.3088e-01 18010 1 1 1 1 39 TYR HA 4.53 . 4.63 0.56 8.5827e-01 18010 1 1 1 1 39 TYR HB2 3.22 . 2.91 0.37 4.0212e-01 18010 1 1 1 1 39 TYR HB3 3.02 . 2.91 0.37 7.6624e-01 18010 1 1 1 1 39 TYR HD1 7.06 . 6.87 0.65 7.7005e-01 18010 1 1 1 1 39 TYR HD2 7.91 . 6.86 0.68 1.2256e-01 18010 1 1 1 1 39 TYR HE1 6.74 . 6.64 0.58 8.6311e-01 18010 1 1 1 1 39 TYR HE2 6.74 . 6.63 0.61 8.5690e-01 18010 1 1 1 1 39 TYR N 118.35 . 120.79 4.69 6.0289e-01 18010 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 39 TYR TYR 0.99 18010 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18010 _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 18010 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18010 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18010 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18010 _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_