data_AVS_bmrb_pdb_report_17509 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17509 _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 63 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17509 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 63 ARG CA 58.095 . 56.95 2.41 6.3471e-01 17509 1 1 1 1 63 ARG CB 30.317 . 30.66 1.77 8.4634e-01 17509 1 1 1 1 63 ARG CG 29.616 . 27.31 1.65 1.6224e-01 17509 1 1 1 1 63 ARG CD 43.495 . 43.1 1.1 7.1953e-01 17509 1 1 1 1 63 ARG H 8.176 . 8.24 0.6 9.1505e-01 17509 1 1 1 1 63 ARG HA 4.015 . 4.27 0.44 5.6222e-01 17509 1 1 1 1 63 ARG HB2 0.954 . 1.79 0.28 2.8292e-03 17509 1 1 1 1 63 ARG HB3 1.501 . 1.78 0.28 3.1904e-01 17509 1 1 1 1 63 ARG HG2 1.159 . 1.58 0.27 1.1893e-01 17509 1 1 1 1 63 ARG HG3 -0.282 A 1.58 0.27 5.3376e-12 17509 1 1 1 1 63 ARG HD2 2.991 . 3.13 0.23 5.4561e-01 17509 1 1 1 1 63 ARG HD3 2.177 S 3.13 0.22 1.4788e-05 17509 1 1 1 1 63 ARG HE 8.717 . 7.32 0.52 7.2197e-03 17509 1 1 1 1 63 ARG HH11 6.790 . 6.74 0.31 8.7186e-01 17509 1 1 1 1 63 ARG HH12 6.790 . 6.75 0.32 9.0052e-01 17509 1 1 1 1 63 ARG N 120.745 . 120.61 3.9 9.7239e-01 17509 1 1 1 1 63 ARG NE 87.602 . 89.8 12.83 8.6397e-01 17509 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 63 ARG CYS 0.42 17509 1 1 1 1 63 ARG ARG 0.34 17509 1 1 1 1 63 ARG LYS 0.12 17509 1 1 1 1 63 ARG GLY 0.1 17509 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17509 _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 17509 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17509 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17509 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17509 _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_