data_AVS_bmrb_pdb_report_34227 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 34227 _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 26 PHE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 34227 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 26 PHE C 175.288 . 175.42 1.99 9.4711e-01 34227 1 1 1 1 26 PHE CA 56.631 . 58.08 2.57 5.7288e-01 34227 1 1 1 1 26 PHE CB 36.818 . 39.99 2.09 1.2909e-01 34227 1 1 1 1 26 PHE CD2 128.409 . 131.63 1.12 4.0289e-03 34227 1 1 1 1 26 PHE CE1 128.837 . 130.71 1.3 1.4965e-01 34227 1 1 1 1 26 PHE H 5.917 S 8.36 0.72 6.9118e-04 34227 1 1 1 1 26 PHE HA 3.621 . 4.63 0.57 7.6698e-02 34227 1 1 1 1 26 PHE HB2 -0.463 A 3 0.37 8.0146e-21 34227 1 1 1 1 26 PHE HB3 1.501 S 2.93 0.4 3.5359e-04 34227 1 1 1 1 26 PHE HD1 6.122 . 7.06 0.31 2.4797e-03 34227 1 1 1 1 26 PHE HD2 6.122 . 7.06 0.31 2.4797e-03 34227 1 1 1 1 26 PHE HE1 6.581 . 7.08 0.31 1.0747e-01 34227 1 1 1 1 26 PHE HE2 6.581 . 7.08 0.32 1.1891e-01 34227 1 1 1 1 26 PHE N 121.310 . 120.45 4.18 8.3699e-01 34227 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 26 PHE TYR 0.55 34227 1 1 1 1 26 PHE PHE 0.21 34227 1 1 1 1 26 PHE TRP 0.17 34227 1 1 1 1 26 PHE HIS 0.05 34227 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 34227 _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 34227 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 34227 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 34227 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 34227 _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_