data_AVS_bmrb_pdb_report_15778 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15778 _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 54 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 15778 1 1 1 2 1 THR UNSUPPORTED . . . . . . . 15778 1 1 1 2 222 LYS UNSUPPORTED . . . . . . . 15778 1 1 1 2 5 TYS UNSUPPORTED . . . . . . . 15778 1 1 1 2 8 TYS UNSUPPORTED . . . . . . . 15778 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 54 ARG C 176.966 . 176.49 2.16 8.2558e-01 15778 1 1 1 1 54 ARG CA 55.915 . 56.95 2.41 6.6759e-01 15778 1 1 1 1 54 ARG CB 31.804 . 30.66 1.77 5.1807e-01 15778 1 1 1 1 54 ARG CG 26.828 . 27.31 1.65 7.7019e-01 15778 1 1 1 1 54 ARG CD 44.171 . 43.1 1.1 3.3024e-01 15778 1 1 1 1 54 ARG H 7.800 . 8.24 0.6 4.6336e-01 15778 1 1 1 1 54 ARG HA 4.527 . 4.27 0.44 5.5916e-01 15778 1 1 1 1 54 ARG HB2 2.186 . 1.79 0.28 1.5728e-01 15778 1 1 1 1 54 ARG HB3 1.729 . 1.78 0.28 8.5547e-01 15778 1 1 1 1 54 ARG HG2 1.932 . 1.58 0.27 1.9233e-01 15778 1 1 1 1 54 ARG HG3 1.630 . 1.58 0.27 8.5308e-01 15778 1 1 1 1 54 ARG HD2 3.433 . 3.13 0.23 1.8771e-01 15778 1 1 1 1 54 ARG HD3 3.177 . 3.13 0.22 8.3083e-01 15778 1 1 1 1 54 ARG HE 7.162 . 7.32 0.52 7.6124e-01 15778 1 1 1 1 54 ARG HH21 6.681 . 6.72 0.32 9.0300e-01 15778 1 1 1 1 54 ARG N 118.147 . 120.61 3.9 5.2769e-01 15778 1 1 1 1 54 ARG NE 85.075 . 89.8 12.83 7.1267e-01 15778 1 1 1 1 54 ARG NH2 69.950 A 75.84 11.44 6.0665e-01 15778 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 54 ARG CYS 0.39 15778 1 1 1 1 54 ARG ARG 0.37 15778 1 1 1 1 54 ARG GLY 0.19 15778 1 1 1 1 54 ARG LYS 0.03 15778 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15778 _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 15778 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15778 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15778 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15778 _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_