data_AVS_bmrb_pdb_report_16311 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16311 _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 42 TYR Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16311 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 42 TYR C 174.385 . 175.39 1.89 5.9490e-01 16311 1 1 1 1 42 TYR CA 57.579 . 58.02 2.64 8.6733e-01 16311 1 1 1 1 42 TYR CB 36.198 . 39.16 2.23 1.8409e-01 16311 1 1 1 1 42 TYR CD1 133.433 . 132.54 1.35 5.0830e-01 16311 1 1 1 1 42 TYR CD2 133.433 . 132.26 1.99 5.5556e-01 16311 1 1 1 1 42 TYR CE1 117.692 . 117.81 2.09 9.5498e-01 16311 1 1 1 1 42 TYR CE2 117.692 . 117.91 2.6 9.3318e-01 16311 1 1 1 1 42 TYR H 11.980 A 8.37 0.75 1.4843e-06 16311 1 1 1 1 42 TYR HA 4.616 . 4.63 0.56 9.8006e-01 16311 1 1 1 1 42 TYR HB2 3.179 . 2.91 0.37 4.6721e-01 16311 1 1 1 1 42 TYR HB3 4.169 S 2.91 0.37 6.6723e-04 16311 1 1 1 1 42 TYR HD1 6.832 . 6.87 0.65 9.5338e-01 16311 1 1 1 1 42 TYR HD2 6.832 . 6.86 0.68 9.6716e-01 16311 1 1 1 1 42 TYR HE1 6.986 . 6.64 0.58 5.5081e-01 16311 1 1 1 1 42 TYR HE2 6.986 . 6.63 0.61 5.5949e-01 16311 1 1 1 1 42 TYR N 133.554 . 120.79 4.69 6.4979e-03 16311 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 42 TYR CYS 0.53 16311 1 1 1 1 42 TYR TYR 0.42 16311 1 1 1 1 42 TYR HIS 0.03 16311 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16311 _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 16311 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16311 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16311 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16311 _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_