data_AVS_bmrb_pdb_report_16409 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16409 _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 2 PHE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16409 1 1 1 1 104 ARG Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16409 1 1 1 3 1 MGF UNSUPPORTED . . . . . . . 16409 1 1 1 4 1 MG UNSUPPORTED . . . . . . . 16409 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 2 PHE C 173.947 . 175.49 2.13 4.6881e-01 16409 1 1 1 1 2 PHE CB 36.155 . 39.95 2.04 6.2844e-02 16409 1 1 1 1 2 PHE H 5.258 A 8.42 0.74 1.9288e-05 16409 1 1 1 1 2 PHE N 117.353 . 120.69 4.18 4.2468e-01 16409 1 1 1 1 104 ARG C 181.895 A 176.49 2.16 1.2338e-02 16409 1 1 1 1 104 ARG CB 28.722 . 30.66 1.77 2.7355e-01 16409 1 1 1 1 104 ARG H 8.261 . 8.24 0.6 9.7208e-01 16409 1 1 1 1 104 ARG N 120.130 . 120.61 3.9 9.0205e-01 16409 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 2 PHE GLU 0.48 16409 1 1 1 1 2 PHE ILE 0.12 16409 1 1 1 1 2 PHE TYR 0.09 16409 1 1 1 1 2 PHE ASN 0.08 16409 1 1 1 1 2 PHE MET 0.07 16409 1 1 1 1 2 PHE LYS 0.04 16409 1 1 1 1 2 PHE VAL 0.03 16409 1 1 1 1 2 PHE PHE 0.03 16409 1 1 1 1 2 PHE GLN 0.01 16409 1 1 1 1 104 ARG LYS 0.2 16409 1 1 1 1 104 ARG GLN 0.18 16409 1 1 1 1 104 ARG ILE 0.13 16409 1 1 1 1 104 ARG HIS 0.12 16409 1 1 1 1 104 ARG TRP 0.1 16409 1 1 1 1 104 ARG GLU 0.09 16409 1 1 1 1 104 ARG ARG 0.05 16409 1 1 1 1 104 ARG PRO 0.03 16409 1 1 1 1 104 ARG LEU 0.02 16409 1 1 1 1 104 ARG MET 0.01 16409 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16409 _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 16409 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16409 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16409 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16409 _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_