data_AVS_bmrb_pdb_report_18015 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18015 _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 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 18015 1 1 1 1 54 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 18015 1 1 1 2 1 DC UNSUPPORTED . . . . . . . 18015 1 1 1 2 2 DT UNSUPPORTED . . . . . . . 18015 1 1 1 2 3 DC UNSUPPORTED . . . . . . . 18015 1 1 1 2 4 DT UNSUPPORTED . . . . . . . 18015 1 1 1 2 5 DA UNSUPPORTED . . . . . . . 18015 1 1 1 2 6 DA UNSUPPORTED . . . . . . . 18015 1 1 1 2 7 DT UNSUPPORTED . . . . . . . 18015 1 1 1 2 8 DC UNSUPPORTED . . . . . . . 18015 1 1 1 2 9 DC UNSUPPORTED . . . . . . . 18015 1 1 1 2 1 DC1 UNSUPPORTED . . . . . . . 18015 1 1 1 3 1 DG UNSUPPORTED . . . . . . . 18015 1 1 1 3 2 DG UNSUPPORTED . . . . . . . 18015 1 1 1 3 3 DG UNSUPPORTED . . . . . . . 18015 1 1 1 3 4 DG UNSUPPORTED . . . . . . . 18015 1 1 1 3 5 DA UNSUPPORTED . . . . . . . 18015 1 1 1 3 6 DT UNSUPPORTED . . . . . . . 18015 1 1 1 3 7 DT UNSUPPORTED . . . . . . . 18015 1 1 1 3 8 DA UNSUPPORTED . . . . . . . 18015 1 1 1 3 9 DG UNSUPPORTED . . . . . . . 18015 1 1 1 3 1 DG1 UNSUPPORTED . . . . . . . 18015 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 ARG CA 57.646 . 56.95 2.41 7.7274e-01 18015 1 1 1 1 26 ARG CB 31.003 . 30.66 1.77 8.4634e-01 18015 1 1 1 1 26 ARG CG 27.148 . 27.31 1.65 9.2179e-01 18015 1 1 1 1 26 ARG CD 42.635 . 43.1 1.1 6.7249e-01 18015 1 1 1 1 26 ARG H 8.400 . 8.24 0.6 7.8973e-01 18015 1 1 1 1 26 ARG HA 3.800 . 4.27 0.44 2.8544e-01 18015 1 1 1 1 26 ARG HB2 1.280 . 1.79 0.28 6.8542e-02 18015 1 1 1 1 26 ARG HB3 0.902 . 1.78 0.28 1.7144e-03 18015 1 1 1 1 26 ARG HG2 0.931 . 1.58 0.27 1.6230e-02 18015 1 1 1 1 26 ARG HG3 -0.293 A 1.58 0.27 4.0041e-12 18015 1 1 1 1 26 ARG HD2 1.709 S 3.13 0.23 6.4812e-10 18015 1 1 1 1 26 ARG HD3 1.627 S 3.13 0.22 8.3845e-12 18015 1 1 1 1 26 ARG HE 6.369 . 7.32 0.52 6.7423e-02 18015 1 1 1 1 26 ARG N 121.408 . 120.61 3.9 8.3787e-01 18015 1 1 1 1 26 ARG NE 83.695 . 89.8 12.83 6.3419e-01 18015 1 1 1 1 54 ARG CB 27.575 . 30.66 1.77 8.1345e-02 18015 1 1 1 1 54 ARG CG 23.837 . 27.31 1.65 3.5305e-02 18015 1 1 1 1 54 ARG CD 40.422 . 43.1 1.1 1.4911e-02 18015 1 1 1 1 54 ARG H 8.851 . 8.24 0.6 3.0852e-01 18015 1 1 1 1 54 ARG HA 3.682 . 4.27 0.44 1.8143e-01 18015 1 1 1 1 54 ARG HB2 -0.505 A 1.79 0.28 2.4763e-16 18015 1 1 1 1 54 ARG HB3 0.669 S 1.78 0.28 7.2522e-05 18015 1 1 1 1 54 ARG HG2 -0.209 S 1.58 0.27 3.4508e-11 18015 1 1 1 1 54 ARG HG3 -0.597 A 1.58 0.27 7.4467e-16 18015 1 1 1 1 54 ARG HD2 2.174 S 3.13 0.23 3.2313e-05 18015 1 1 1 1 54 ARG HD3 2.430 . 3.13 0.22 1.4635e-03 18015 1 1 1 1 54 ARG HE 9.861 S 7.32 0.52 1.0262e-06 18015 1 1 1 1 54 ARG N 125.530 . 120.61 3.9 2.0711e-01 18015 1 1 1 1 54 ARG NE 89.969 . 89.8 12.83 9.8949e-01 18015 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 ARG ARG 0.4 18015 1 1 1 1 26 ARG CYS 0.36 18015 1 1 1 1 26 ARG LYS 0.21 18015 1 1 1 1 26 ARG GLY 0.02 18015 1 1 1 1 54 ARG LEU 0.66 18015 1 1 1 1 54 ARG LYS 0.33 18015 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18015 _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 18015 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18015 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18015 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18015 _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_