data_AVS_bmrb_pdb_report_19045 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19045 _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 1 110 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19045 1 1 1 2 18 NLE UNSUPPORTED . . . . . . . 19045 1 1 1 2 223 NH UNSUPPORTED . . . . . . . 19045 1 1 1 2 813 MK UNSUPPORTED . . . . . . . 19045 1 1 1 2 817 MK UNSUPPORTED . . . . . . . 19045 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 1 110 ARG CA 59.551 . 56.77 2.31 2.2863e-01 19045 1 1 1 1 110 ARG CB 31.163 . 30.7 1.83 8.0026e-01 19045 1 1 1 1 110 ARG CG 29.720 . 27.21 1.2 3.6468e-02 19045 1 1 1 1 110 ARG CD 43.292 . 43.16 0.88 8.8076e-01 19045 1 1 1 1 110 ARG H 8.616 . 8.24 0.61 5.3763e-01 19045 1 1 1 1 110 ARG HA 3.742 . 4.3 0.46 2.2511e-01 19045 1 1 1 1 110 ARG HB2 1.326 . 1.79 0.27 8.5702e-02 19045 1 1 1 1 110 ARG HB3 1.326 . 1.76 0.28 1.2114e-01 19045 1 1 1 1 110 ARG HG2 1.013 . 1.57 0.27 3.9116e-02 19045 1 1 1 1 110 ARG HG3 1.013 . 1.54 0.29 6.9180e-02 19045 1 1 1 1 110 ARG HD2 2.660 . 3.12 0.24 5.5280e-02 19045 1 1 1 1 110 ARG HD3 2.423 . 3.1 0.26 9.2184e-03 19045 1 1 1 1 110 ARG HE 6.388 . 7.4 0.63 1.0820e-01 19045 1 1 1 1 110 ARG N 119.610 . 120.8 3.68 7.4642e-01 19045 1 1 1 1 110 ARG NE 117.953 A 84.63 1.68 1.4817e-87 19045 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 1 110 ARG CYS 0.62 19045 1 1 1 1 110 ARG LYS 0.15 19045 1 1 1 1 110 ARG ARG 0.14 19045 1 1 1 1 110 ARG GLY 0.08 19045 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19045 _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 19045 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19045 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19045 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19045 _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_