data_AVS_bmrb_pdb_report_50771 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 50771 _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 67 PHE Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 50771 1 1 1 1 81 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 50771 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 67 PHE C 174.877 . 175.42 1.99 7.8496e-01 50771 1 1 1 1 67 PHE CA 56.755 . 58.08 2.57 6.0616e-01 50771 1 1 1 1 67 PHE CB 39.023 . 39.99 2.09 6.4359e-01 50771 1 1 1 1 67 PHE CD1 129.411 . 131.58 1.18 6.6043e-02 50771 1 1 1 1 67 PHE CD2 129.411 . 131.63 1.12 4.7563e-02 50771 1 1 1 1 67 PHE CE1 130.937 . 130.71 1.3 8.6138e-01 50771 1 1 1 1 67 PHE CE2 130.937 . 130.76 1.13 8.7553e-01 50771 1 1 1 1 67 PHE HA 4.140 . 4.63 0.57 3.8998e-01 50771 1 1 1 1 67 PHE HB2 -0.129 A 3 0.37 2.7492e-17 50771 1 1 1 1 67 PHE HB3 1.516 S 2.93 0.4 4.0778e-04 50771 1 1 1 1 67 PHE HD1 6.896 . 7.06 0.31 5.9678e-01 50771 1 1 1 1 67 PHE HD2 6.896 . 7.06 0.31 5.9678e-01 50771 1 1 1 1 67 PHE HE1 7.290 . 7.08 0.31 4.9814e-01 50771 1 1 1 1 67 PHE HE2 7.290 . 7.08 0.32 5.1166e-01 50771 1 1 1 1 81 ARG C 175.192 . 176.41 2.03 5.4851e-01 50771 1 1 1 1 81 ARG CA 59.108 . 56.77 2.31 3.1148e-01 50771 1 1 1 1 81 ARG CB 27.597 . 30.7 1.83 8.9956e-02 50771 1 1 1 1 81 ARG H 3.068 A 8.24 0.61 2.2775e-17 50771 1 1 1 1 81 ARG HA 1.591 S 4.3 0.46 3.8823e-09 50771 1 1 1 1 81 ARG HB2 1.523 . 1.79 0.27 3.2272e-01 50771 1 1 1 1 81 ARG HB3 1.398 . 1.76 0.28 1.9606e-01 50771 1 1 1 1 81 ARG N 116.462 . 120.8 3.68 2.3848e-01 50771 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 67 PHE PHE 0.62 50771 1 1 1 1 67 PHE TYR 0.36 50771 1 1 1 1 81 ARG ILE 0.25 50771 1 1 1 1 81 ARG TRP 0.16 50771 1 1 1 1 81 ARG GLN 0.13 50771 1 1 1 1 81 ARG LYS 0.1 50771 1 1 1 1 81 ARG GLU 0.1 50771 1 1 1 1 81 ARG HIS 0.09 50771 1 1 1 1 81 ARG LEU 0.07 50771 1 1 1 1 81 ARG ARG 0.05 50771 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 50771 _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 50771 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 50771 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 50771 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 50771 _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_