data_AVS_bmrb_pdb_report_6605 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6605 _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 12 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 6605 1 1 1 1 38 CYM UNSUPPORTED . . . . . . . 6605 1 1 1 1 43 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 6605 1 1 1 1 45 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 6605 1 1 1 1 118 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 6605 1 1 1 2 1 DT UNSUPPORTED . . . . . . . 6605 1 1 1 2 2 DC UNSUPPORTED . . . . . . . 6605 1 1 1 2 3 DT UNSUPPORTED . . . . . . . 6605 1 1 1 2 4 DT UNSUPPORTED . . . . . . . 6605 1 1 1 2 5 DG UNSUPPORTED . . . . . . . 6605 1 1 1 2 6 DC UNSUPPORTED . . . . . . . 6605 1 1 1 2 7 DG UNSUPPORTED . . . . . . . 6605 1 1 1 2 8 DC UNSUPPORTED . . . . . . . 6605 1 1 1 2 9 DT UNSUPPORTED . . . . . . . 6605 1 1 1 2 10 DT UNSUPPORTED . . . . . . . 6605 1 1 1 2 11 DT UNSUPPORTED . . . . . . . 6605 1 1 1 2 12 DA UNSUPPORTED . . . . . . . 6605 1 1 1 2 13 DA UNSUPPORTED . . . . . . . 6605 1 1 1 2 14 DT UNSUPPORTED . . . . . . . 6605 1 1 1 2 15 DT UNSUPPORTED . . . . . . . 6605 1 1 1 2 16 DT UNSUPPORTED . . . . . . . 6605 1 1 1 2 17 DG UNSUPPORTED . . . . . . . 6605 1 1 1 2 18 DC UNSUPPORTED . . . . . . . 6605 1 1 1 3 1 DG UNSUPPORTED . . . . . . . 6605 1 1 1 3 2 DC UNSUPPORTED . . . . . . . 6605 1 1 1 3 3 DA UNSUPPORTED . . . . . . . 6605 1 1 1 3 4 DA UNSUPPORTED . . . . . . . 6605 1 1 1 3 5 DA UNSUPPORTED . . . . . . . 6605 1 1 1 3 6 DT UNSUPPORTED . . . . . . . 6605 1 1 1 3 7 DT UNSUPPORTED . . . . . . . 6605 1 1 1 3 8 DA UNSUPPORTED . . . . . . . 6605 1 1 1 3 9 DA UNSUPPORTED . . . . . . . 6605 1 1 1 3 10 DA UNSUPPORTED . . . . . . . 6605 1 1 1 3 11 DG UNSUPPORTED . . . . . . . 6605 1 1 1 3 12 DC UNSUPPORTED . . . . . . . 6605 1 1 1 3 13 DG UNSUPPORTED . . . . . . . 6605 1 1 1 3 14 DC UNSUPPORTED . . . . . . . 6605 1 1 1 3 15 DA UNSUPPORTED . . . . . . . 6605 1 1 1 3 16 DA UNSUPPORTED . . . . . . . 6605 1 1 1 3 17 DG UNSUPPORTED . . . . . . . 6605 1 1 1 3 18 DA UNSUPPORTED . . . . . . . 6605 1 1 1 4 1 ZN UNSUPPORTED . . . . . . . 6605 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 12 ARG C 176.99 . 176.41 2.03 7.7510e-01 6605 1 1 1 1 12 ARG CA 59.27 . 56.77 2.31 2.7914e-01 6605 1 1 1 1 12 ARG H 7.85 . 8.24 0.61 5.2260e-01 6605 1 1 1 1 12 ARG HA 3.39 . 4.3 0.46 4.7899e-02 6605 1 1 1 1 12 ARG HB2 0.33 S 1.79 0.27 6.3944e-08 6605 1 1 1 1 12 ARG HB3 -0.43 S 1.76 0.28 5.2227e-15 6605 1 1 1 1 12 ARG HG2 0.70 . 1.57 0.27 1.2720e-03 6605 1 1 1 1 12 ARG HG3 0.23 S 1.54 0.29 6.2650e-06 6605 1 1 1 1 12 ARG HE 6.28 . 7.4 0.63 7.5440e-02 6605 1 1 1 1 12 ARG N 120.20 . 120.8 3.68 8.7048e-01 6605 1 1 1 1 12 ARG NE 108.54 A 84.63 1.68 5.7881e-46 6605 1 1 1 1 43 ARG C 173.54 . 176.41 2.03 1.5742e-01 6605 1 1 1 1 43 ARG CA 54.72 . 56.77 2.31 3.7484e-01 6605 1 1 1 1 43 ARG CB 27.68 . 30.7 1.83 9.8887e-02 6605 1 1 1 1 43 ARG CD 40.70 . 43.16 0.88 5.1827e-03 6605 1 1 1 1 43 ARG H 8.23 . 8.24 0.61 9.8692e-01 6605 1 1 1 1 43 ARG HA 3.99 . 4.3 0.46 5.0037e-01 6605 1 1 1 1 43 ARG HE 7.24 . 7.4 0.63 7.9952e-01 6605 1 1 1 1 43 ARG N 123.90 . 120.8 3.68 3.9957e-01 6605 1 1 1 1 43 ARG NE 108.14 A 84.63 1.68 1.6948e-44 6605 1 1 1 1 45 ARG C 173.79 . 176.41 2.03 1.9683e-01 6605 1 1 1 1 45 ARG CA 56.01 . 56.77 2.31 7.4215e-01 6605 1 1 1 1 45 ARG CB 29.32 . 30.7 1.83 4.5079e-01 6605 1 1 1 1 45 ARG H 9.04 . 8.24 0.61 1.8970e-01 6605 1 1 1 1 45 ARG HA 3.62 . 4.3 0.46 1.3934e-01 6605 1 1 1 1 45 ARG HE 6.95 . 7.4 0.63 4.7505e-01 6605 1 1 1 1 45 ARG N 120.61 . 120.8 3.68 9.5882e-01 6605 1 1 1 1 45 ARG NE 108.14 A 84.63 1.68 1.6948e-44 6605 1 1 1 1 118 ARG C 179.41 . 176.41 2.03 1.3945e-01 6605 1 1 1 1 118 ARG CA 59.05 . 56.77 2.31 3.2364e-01 6605 1 1 1 1 118 ARG H 7.79 . 8.24 0.61 4.6069e-01 6605 1 1 1 1 118 ARG HA 4.11 . 4.3 0.46 6.7957e-01 6605 1 1 1 1 118 ARG HB2 1.90 . 1.79 0.27 6.8371e-01 6605 1 1 1 1 118 ARG HB3 1.71 . 1.76 0.28 8.5827e-01 6605 1 1 1 1 118 ARG HE 7.08 . 7.4 0.63 6.1150e-01 6605 1 1 1 1 118 ARG N 114.73 . 120.8 3.68 9.9054e-02 6605 1 1 1 1 118 ARG NE 109.94 A 84.63 1.68 2.7319e-51 6605 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 12 ARG SER 0.13 6605 1 1 1 1 12 ARG CYS 0.13 6605 1 1 1 1 12 ARG TYR 0.1 6605 1 1 1 1 12 ARG PHE 0.1 6605 1 1 1 1 12 ARG TRP 0.08 6605 1 1 1 1 12 ARG ILE 0.06 6605 1 1 1 1 12 ARG GLU 0.05 6605 1 1 1 1 12 ARG LYS 0.04 6605 1 1 1 1 12 ARG ARG 0.04 6605 1 1 1 1 12 ARG VAL 0.04 6605 1 1 1 1 12 ARG THR 0.04 6605 1 1 1 1 12 ARG HIS 0.03 6605 1 1 1 1 12 ARG GLN 0.03 6605 1 1 1 1 12 ARG MET 0.02 6605 1 1 1 1 12 ARG LEU 0.01 6605 1 1 1 1 43 ARG LEU 0.49 6605 1 1 1 1 43 ARG CYS 0.3 6605 1 1 1 1 43 ARG LYS 0.15 6605 1 1 1 1 43 ARG ILE 0.03 6605 1 1 1 1 45 ARG GLN 0.15 6605 1 1 1 1 45 ARG HIS 0.14 6605 1 1 1 1 45 ARG LYS 0.14 6605 1 1 1 1 45 ARG TRP 0.12 6605 1 1 1 1 45 ARG GLU 0.12 6605 1 1 1 1 45 ARG ARG 0.11 6605 1 1 1 1 45 ARG CYS 0.11 6605 1 1 1 1 45 ARG MET 0.04 6605 1 1 1 1 45 ARG ILE 0.01 6605 1 1 1 1 45 ARG LEU 0.01 6605 1 1 1 1 118 ARG SER 0.13 6605 1 1 1 1 118 ARG CYS 0.12 6605 1 1 1 1 118 ARG TYR 0.11 6605 1 1 1 1 118 ARG PHE 0.1 6605 1 1 1 1 118 ARG TRP 0.09 6605 1 1 1 1 118 ARG GLU 0.06 6605 1 1 1 1 118 ARG LYS 0.05 6605 1 1 1 1 118 ARG ILE 0.05 6605 1 1 1 1 118 ARG ARG 0.05 6605 1 1 1 1 118 ARG HIS 0.04 6605 1 1 1 1 118 ARG GLN 0.03 6605 1 1 1 1 118 ARG VAL 0.03 6605 1 1 1 1 118 ARG THR 0.03 6605 1 1 1 1 118 ARG MET 0.02 6605 1 1 1 1 118 ARG LEU 0.01 6605 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6605 _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 6605 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 6605 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 6605 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6605 _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_