data_AVS_bmrb_pdb_report_50335 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 50335 _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 31 TYR Anomalous Consistent Consistent Anomalous Consistent Consistent . . 50335 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 31 TYR C 178.03 . 175.4 1.99 1.8630e-01 50335 1 1 1 1 31 TYR CA 60.99 . 58.13 2.51 2.5452e-01 50335 1 1 1 1 31 TYR CB 37.91 . 39.32 2.16 5.1390e-01 50335 1 1 1 1 31 TYR CD1 132.97 . 132.77 1.17 8.6427e-01 50335 1 1 1 1 31 TYR CD2 132.97 . 132.73 1.3 8.5353e-01 50335 1 1 1 1 31 TYR CE1 118.06 . 117.93 1.19 9.1301e-01 50335 1 1 1 1 31 TYR CE2 118.07 . 117.9 1.18 8.8545e-01 50335 1 1 1 1 31 TYR H 7.87 . 8.32 0.73 5.3761e-01 50335 1 1 1 1 31 TYR HA 4.30 . 4.63 0.56 5.5567e-01 50335 1 1 1 1 31 TYR HB2 3.24 . 2.91 0.37 3.7245e-01 50335 1 1 1 1 31 TYR HB3 3.25 . 2.84 0.39 2.9313e-01 50335 1 1 1 1 31 TYR HD1 6.99 . 6.93 0.3 8.4148e-01 50335 1 1 1 1 31 TYR HD2 7.00 . 6.93 0.3 8.1550e-01 50335 1 1 1 1 31 TYR HE1 6.70 . 6.7 0.23 1.0000e+00 50335 1 1 1 1 31 TYR HE2 6.70 . 6.71 0.23 9.6532e-01 50335 1 1 1 1 31 TYR HH 4.77 A 9.3 1.36 8.6571e-04 50335 1 1 1 1 31 TYR N 122.62 . 120.52 4.2 6.1707e-01 50335 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 31 TYR TYR 0.64 50335 1 1 1 1 31 TYR CYS 0.35 50335 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 50335 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _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 50335 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 50335 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 50335 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 50335 _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_